#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8c s ASN 2 N 0.00 -1.13 -0.08 5.98 0.01 -1.26 -4.61 114.94 113.85 1u8c s ASN 2 Ca 0.00 0.32 -0.01 0.00 -0.71 0.00 0.00 52.86 52.46 1u8c s ASN 2 Cb 0.00 1.79 -0.03 0.00 0.41 0.00 0.00 41.25 43.42 1u8c s ASN 2 CO 0.00 -0.21 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.61 1u8c s LEU 3 N 2.88 3.48 0.56 0.60 1.43 -1.26 -2.69 118.68 123.69 1u8c s LEU 3 Ca 0.15 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.14 1u8c s LEU 3 Cb -0.09 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1u8c s LEU 3 CO -0.22 0.37 1.35 -0.62 0.23 0.00 0.00 176.35 177.45 1u8c s ASP 4 N -0.91 5.17 0.00 2.29 -1.08 -0.67 -4.87 116.67 116.59 1u8c s ASP 4 Ca 0.13 2.74 0.00 0.00 -0.52 0.00 0.00 52.55 54.90 1u8c s ASP 4 Cb -0.11 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.72 1u8c s ASP 4 CO 0.03 -1.64 0.00 0.52 0.52 0.00 0.00 175.17 174.60 1u8c n VAL 5 N -1.17 0.00 0.00 1.11 0.31 -1.26 -4.42 118.33 112.90 1u8c n VAL 5 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1u8c n VAL 5 Cb 0.46 1.71 0.00 0.00 -0.91 0.00 0.00 33.84 35.09 1u8c n VAL 5 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1u8c n ASP 6 N 0.00 0.00 -4.05 4.52 10.43 -1.26 -4.59 116.55 121.60 1u8c n ASP 6 Ca 0.00 0.62 -0.32 0.00 2.57 0.00 0.00 54.79 57.66 1u8c n ASP 6 Cb 0.20 -0.23 -0.15 0.00 1.84 0.00 0.00 41.12 42.78 1u8c n ASP 6 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1u8c s SER 7 N -1.98 4.76 0.15 -2.24 0.15 -1.26 -5.10 113.70 108.18 1u8c s SER 7 Ca 0.00 -1.93 0.05 0.00 0.70 0.00 0.00 55.95 54.77 1u8c s SER 7 Cb 0.00 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 1u8c s SER 7 CO 0.00 -0.35 0.11 -2.16 1.20 0.00 0.00 173.24 172.04 1u8c s PRO 8 N 0.99 2.82 0.06 5.44 0.04 -1.26 -4.97 135.00 138.11 1u8c s PRO 8 Ca 0.05 -0.87 -0.31 0.00 0.04 0.00 0.00 61.00 59.92 1u8c s PRO 8 Cb -0.20 -2.62 -0.07 0.00 0.04 0.00 0.00 34.50 31.66 1u8c s PRO 8 CO -0.07 0.49 1.46 0.00 0.04 0.00 0.00 177.00 178.93 1u8c s ALA 9 N -1.68 3.62 -0.25 8.56 0.00 -1.00 -4.88 121.76 126.12 1u8c s ALA 9 Ca 0.30 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 1u8c s ALA 9 Cb -0.10 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.44 1u8c s ALA 9 CO 0.22 -0.86 -0.05 -2.00 0.00 0.00 0.00 175.76 173.07 1u8c s GLU 10 N 2.01 2.83 0.23 0.00 -6.30 -1.26 -1.39 118.70 114.81 1u8c s GLU 10 Ca 0.67 -0.98 0.07 0.00 -2.50 0.00 0.00 54.97 52.23 1u8c s GLU 10 Cb -0.35 -3.01 -0.04 0.00 0.00 0.00 0.00 34.13 30.73 1u8c s GLU 10 CO 0.29 -0.41 0.11 0.71 0.02 0.00 0.00 175.26 175.98 1u8c s TYR 11 N 1.33 2.98 0.32 5.30 1.51 -0.54 -5.01 117.35 123.24 1u8c s TYR 11 Ca 0.00 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 1u8c s TYR 11 Cb -0.17 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1u8c s TYR 11 CO -0.04 0.54 0.24 -1.54 -1.11 0.00 0.00 175.55 173.64 1u8c s SER 12 N -3.54 1.61 0.24 2.29 1.04 -1.26 -2.41 113.70 111.67 1u8c s SER 12 Ca 0.31 -1.70 -0.16 0.00 0.48 0.00 0.00 55.95 54.89 1u8c s SER 12 Cb -0.08 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1u8c s SER 12 CO 0.23 -1.01 0.53 -0.83 0.98 0.00 0.00 173.24 173.14 1u8c s GLY 13 N -3.37 0.22 0.25 7.32 0.00 -1.18 -4.89 107.32 105.66 1u8c s GLY 13 Ca 0.38 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1u8c s GLY 13 CO 0.24 -0.41 0.92 -1.05 0.00 0.00 0.00 173.10 172.79 1u8c n PRO 14 N -0.38 0.99 -1.52 2.90 -0.02 -1.26 -4.76 135.00 130.95 1u8c n PRO 14 Ca -0.05 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1u8c n PRO 14 Cb 0.61 -1.65 -0.06 0.00 -0.02 0.00 0.00 33.50 32.38 1u8c n PRO 14 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u8c n GLU 15 N 0.95 1.09 -0.09 -0.52 4.71 -1.26 -1.59 120.64 123.94 1u8c n GLU 15 Ca 0.12 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1u8c n GLU 15 Cb 0.29 -2.86 0.00 0.00 -1.01 0.00 0.00 31.44 27.85 1u8c n GLU 15 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u8c n GLY 16 N 6.19 0.80 0.07 0.62 0.00 -1.26 -4.97 105.19 106.64 1u8c n GLY 16 Ca 0.41 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.57 1u8c n GLY 16 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u8c n SER 17 N 0.00 0.37 -1.39 1.61 3.41 -0.62 -4.75 113.62 112.25 1u8c n SER 17 Ca 0.00 -0.31 -0.13 0.00 -0.26 0.00 0.00 58.87 58.17 1u8c n SER 17 Cb 0.00 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1u8c n SER 17 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1u8c n TYR 18 N -1.15 -0.53 -1.68 7.33 0.53 -1.26 0.06 117.16 120.47 1u8c n TYR 18 Ca 0.12 0.00 -0.46 0.00 -1.02 0.00 0.00 57.90 56.54 1u8c n TYR 18 Cb 0.30 -2.75 -0.04 0.00 -1.03 0.00 0.00 39.34 35.81 1u8c n TYR 18 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1u8c n PHE 19 N -3.84 2.36 0.00 -0.72 -0.00 -1.26 -1.15 117.46 112.85 1u8c n PHE 19 Ca -0.15 0.11 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 1u8c n PHE 19 Cb 0.59 -2.62 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 1u8c n PHE 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1u8c n GLY 20 N 3.87 0.86 0.33 7.13 0.00 -0.99 -1.46 105.19 114.93 1u8c n GLY 20 Ca 0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1u8c n GLY 20 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u8c h PHE 21 N 0.00 0.13 -3.82 1.61 3.57 -1.16 -3.39 116.94 113.88 1u8c h PHE 21 Ca 0.00 0.00 -0.28 0.00 3.53 0.00 0.00 57.97 61.23 1u8c h PHE 21 Cb 0.00 -0.04 -0.28 0.00 2.79 0.00 0.00 35.95 38.42 1u8c h PHE 21 CO 0.00 0.07 -0.74 0.00 -2.23 0.00 0.00 178.31 175.41 1u8c s ALA 22 N -5.15 0.22 0.14 2.41 0.00 -1.25 -4.66 121.76 113.47 1u8c s ALA 22 Ca -0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.74 1u8c s ALA 22 Cb 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1u8c s ALA 22 CO 0.71 0.05 0.13 0.14 0.00 0.00 0.00 175.76 176.79 1u8c s VAL 23 N -0.09 0.09 0.00 0.00 -7.23 -1.26 -0.27 120.40 111.64 1u8c s VAL 23 Ca 0.01 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1u8c s VAL 23 Cb -0.01 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1u8c s VAL 23 CO -0.00 -0.42 0.00 -0.67 -0.31 0.00 0.00 175.10 173.70 1u8c n ASP 24 N -0.13 0.00 -4.82 4.85 4.64 -0.86 -4.69 116.55 115.55 1u8c n ASP 24 Ca -0.06 0.00 -0.37 0.00 -1.38 0.00 0.00 54.79 52.98 1u8c n ASP 24 Cb 0.63 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.65 1u8c n ASP 24 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1u8c s PHE 25 N -2.00 3.69 -0.16 -0.67 0.40 -1.26 0.77 117.98 118.75 1u8c s PHE 25 Ca 0.00 1.28 -0.02 0.00 -0.60 0.00 0.00 56.93 57.60 1u8c s PHE 25 Cb 0.00 -2.53 -0.01 0.00 0.51 0.00 0.00 43.02 40.99 1u8c s PHE 25 CO 0.00 0.43 -0.09 0.12 0.70 0.00 0.00 175.22 176.38 1u8c s PHE 26 N -1.39 2.89 -0.38 0.36 5.99 -0.96 -4.69 117.98 119.79 1u8c s PHE 26 Ca 0.38 -0.68 0.09 0.00 0.00 0.00 0.00 56.93 56.72 1u8c s PHE 26 Cb -0.17 -1.93 0.28 0.00 0.00 0.00 0.00 43.02 41.19 1u8c s PHE 26 CO 0.20 -0.28 0.58 0.28 -0.00 0.00 0.00 175.22 176.01 1u8c n VAL 27 N 3.87 -0.54 -1.71 3.12 0.31 -1.26 -1.84 118.33 120.28 1u8c n VAL 27 Ca -0.18 -4.16 -0.42 0.00 -0.01 0.00 0.00 64.34 59.57 1u8c n VAL 27 Cb 0.52 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 31.99 1u8c n VAL 27 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1u8c n PRO 28 N 1.09 2.19 0.11 5.55 -0.04 -1.26 -4.62 135.00 138.02 1u8c n PRO 28 Ca 0.22 0.77 0.13 0.00 -0.04 0.00 0.00 63.50 64.58 1u8c n PRO 28 Cb 0.57 -2.37 0.43 0.00 -0.04 0.00 0.00 33.50 32.09 1u8c n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1u8c n SER 29 N 0.78 0.78 0.00 3.54 3.41 -1.26 -2.89 113.62 117.98 1u8c n SER 29 Ca 0.04 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.39 1u8c n SER 29 Cb 0.36 -0.80 0.78 0.00 -0.26 0.00 0.00 64.21 64.29 1u8c n SER 29 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8c n ALA 30 N -1.78 2.47 -3.00 7.33 0.00 -1.26 -4.87 120.51 119.40 1u8c n ALA 30 Ca 0.05 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1u8c n ALA 30 Cb 0.39 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1u8c n ALA 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u8c s SER 31 N -2.22 -0.05 -0.00 0.00 0.15 -1.14 -5.05 113.70 105.38 1u8c s SER 31 Ca 0.36 -1.00 0.17 0.00 0.70 0.00 0.00 55.95 56.18 1u8c s SER 31 Cb 0.19 0.55 -0.20 0.00 -1.71 0.00 0.00 66.02 64.84 1u8c s SER 31 CO 0.36 -1.08 0.66 -1.54 1.20 0.00 0.00 173.24 172.84 1u8c n SER 32 N -0.36 0.84 -4.61 5.45 3.41 -1.26 -4.79 113.62 112.30 1u8c n SER 32 Ca -0.01 -0.72 -0.36 0.00 -0.26 0.00 0.00 58.87 57.51 1u8c n SER 32 Cb 0.63 1.16 -0.10 0.00 -0.26 0.00 0.00 64.21 65.63 1u8c n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8c s ARG 33 N -2.73 3.96 0.55 4.33 1.70 -1.26 -5.09 118.95 120.41 1u8c s ARG 33 Ca 0.04 -0.33 -0.06 0.00 -0.47 0.00 0.00 55.73 54.91 1u8c s ARG 33 Cb 0.13 -3.45 -0.01 0.00 -0.57 0.00 0.00 34.95 31.05 1u8c s ARG 33 CO 0.70 0.03 0.86 -1.64 -1.08 0.00 0.00 175.30 174.17 1u8c s MET 34 N 1.10 3.14 0.14 3.89 -1.94 -1.26 -4.80 119.30 119.58 1u8c s MET 34 Ca 0.06 0.06 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1u8c s MET 34 Cb -0.14 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 1u8c s MET 34 CO 0.04 -0.52 0.07 1.19 -0.01 0.00 0.00 175.02 175.79 1u8c n PHE 35 N -2.46 -0.07 -4.18 -0.03 3.01 -0.77 -4.45 117.46 108.51 1u8c n PHE 35 Ca 0.03 -1.01 -0.19 0.00 1.01 0.00 0.00 57.45 57.29 1u8c n PHE 35 Cb 0.57 0.04 -0.16 0.00 -0.01 0.00 0.00 39.48 39.92 1u8c n PHE 35 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 1u8c s LEU 36 N 0.00 1.54 -0.10 4.37 0.05 -0.66 -2.27 118.68 121.60 1u8c s LEU 36 Ca 0.10 -0.12 -0.14 0.00 0.05 0.00 0.00 54.13 54.03 1u8c s LEU 36 Cb 0.00 -0.40 -0.05 0.00 -2.05 0.00 0.00 46.19 43.70 1u8c s LEU 36 CO 0.07 -0.01 0.33 -0.76 -0.55 0.00 0.00 176.35 175.42 1u8c s LEU 37 N 0.58 4.34 -0.17 1.48 1.43 0.23 -0.48 118.68 126.10 1u8c s LEU 37 Ca -0.07 0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 53.67 1u8c s LEU 37 Cb -0.11 -2.43 0.05 0.00 0.03 0.00 0.00 46.19 43.74 1u8c s LEU 37 CO 0.00 0.21 0.04 -0.69 0.23 0.00 0.00 176.35 176.14 1u8c s VAL 38 N -0.23 0.35 0.32 -1.59 1.01 -0.19 -2.02 120.40 118.05 1u8c s VAL 38 Ca 0.20 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1u8c s VAL 38 Cb -0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 1u8c s VAL 38 CO 0.08 -0.15 1.11 -0.83 0.00 0.00 0.00 175.10 175.30 1u8c s GLY 39 N 1.95 2.98 -0.47 4.51 0.00 0.63 -1.04 107.32 115.86 1u8c s GLY 39 Ca 0.01 0.88 0.07 0.00 0.00 0.00 0.00 44.72 45.68 1u8c s GLY 39 CO -0.08 1.44 0.98 0.00 0.00 0.00 0.00 173.10 175.44 1u8c n ALA 40 N 0.79 4.32 -0.17 3.20 0.00 0.19 -2.34 120.51 126.49 1u8c n ALA 40 Ca 0.01 -4.22 0.13 0.00 0.00 0.00 0.00 53.44 49.36 1u8c n ALA 40 Cb 0.46 -0.71 0.20 0.00 0.00 0.00 0.00 19.45 19.39 1u8c n ALA 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1u8c n PRO 41 N -0.24 -0.00 -0.22 0.00 -0.04 -1.22 0.05 135.00 133.33 1u8c n PRO 41 Ca 0.30 0.27 0.06 0.00 -0.04 0.00 0.00 63.50 64.10 1u8c n PRO 41 Cb 0.57 -0.61 0.16 0.00 -0.04 0.00 0.00 33.50 33.58 1u8c n PRO 41 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u8c n LYS 42 N -2.54 2.79 -0.41 0.54 5.02 0.11 -3.74 118.16 119.93 1u8c n LYS 42 Ca 0.11 -2.25 -0.29 0.00 -2.02 0.00 0.00 58.31 53.86 1u8c n LYS 42 Cb 0.49 -1.42 0.27 0.00 -0.02 0.00 0.00 35.03 34.35 1u8c n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u8c n ALA 43 N -0.07 -3.61 -2.52 7.82 0.00 0.11 -4.56 120.51 117.67 1u8c n ALA 43 Ca 0.13 -1.41 -0.30 0.00 0.00 0.00 0.00 53.44 51.87 1u8c n ALA 43 Cb 0.56 -1.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 1u8c n ALA 43 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1u8c s ASN 44 N -2.50 4.09 0.19 0.00 0.01 -1.26 -2.51 114.94 112.95 1u8c s ASN 44 Ca 0.68 -0.49 0.03 0.00 -0.71 0.00 0.00 52.86 52.37 1u8c s ASN 44 Cb -0.23 -0.66 -0.05 0.00 0.41 0.00 0.00 41.25 40.72 1u8c s ASN 44 CO 0.64 0.18 -0.02 0.42 -1.51 0.00 0.00 177.10 176.81 1u8c s THR 45 N -1.17 0.86 -0.67 1.60 -4.23 -1.26 -4.91 115.64 105.85 1u8c s THR 45 Ca 0.19 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1u8c s THR 45 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1u8c s THR 45 CO 0.11 -0.47 0.52 0.35 -0.54 0.00 0.00 174.62 174.60 1u8c n THR 46 N -0.29 0.26 -2.85 3.99 -2.24 -1.26 -4.76 114.28 107.14 1u8c n THR 46 Ca -0.07 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1u8c n THR 46 Cb 0.63 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1u8c n THR 46 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1u8c s GLN 47 N -0.61 4.23 -0.73 -0.78 -0.21 -1.26 -4.94 119.66 115.36 1u8c s GLN 47 Ca 0.00 1.04 -0.37 0.00 0.02 0.00 0.00 55.36 56.05 1u8c s GLN 47 Cb 0.00 -3.63 -0.20 0.00 1.00 0.00 0.00 33.01 30.19 1u8c s GLN 47 CO 0.00 -0.49 2.41 -2.30 -2.12 0.00 0.00 175.29 172.79 1u8c n PRO 48 N 5.87 0.07 -1.18 2.91 -0.02 -1.26 -0.80 135.00 140.59 1u8c n PRO 48 Ca 0.06 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.50 1u8c n PRO 48 Cb 0.48 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1u8c n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u8c n GLY 49 N 6.95 0.70 3.33 -1.23 0.00 -1.26 -4.42 105.19 109.26 1u8c n GLY 49 Ca 0.59 -0.11 -0.46 0.00 0.00 0.00 0.00 46.02 46.04 1u8c n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8c s ILE 50 N -1.77 5.41 0.03 -0.61 -1.09 0.02 -4.82 121.20 118.37 1u8c s ILE 50 Ca 0.00 -2.03 -0.25 0.00 -2.23 0.00 0.00 60.65 56.15 1u8c s ILE 50 Cb 0.00 -4.43 -0.05 0.00 -1.58 0.00 0.00 42.46 36.40 1u8c s ILE 50 CO 0.00 -0.99 0.76 0.54 -1.23 0.00 0.00 174.94 174.02 1u8c s VAL 51 N 0.87 4.76 -0.57 2.92 0.11 -1.26 -4.31 120.40 122.93 1u8c s VAL 51 Ca 0.13 1.62 -0.22 0.00 -2.93 0.00 0.00 61.98 60.58 1u8c s VAL 51 Cb -0.18 -4.11 0.03 0.00 -1.53 0.00 0.00 36.38 30.59 1u8c s VAL 51 CO -0.04 0.35 0.64 -0.62 -3.33 0.00 0.00 175.10 172.10 1u8c n GLU 52 N 2.91 -1.86 -0.03 1.54 1.02 -1.25 -2.28 120.64 120.69 1u8c n GLU 52 Ca -0.02 1.39 0.04 0.00 -0.02 0.00 0.00 57.16 58.54 1u8c n GLU 52 Cb 0.50 -3.10 -0.13 0.00 -0.02 0.00 0.00 31.44 28.70 1u8c n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8c n GLY 53 N -0.73 -0.76 0.00 0.62 0.00 -1.06 0.12 105.19 103.38 1u8c n GLY 53 Ca -0.10 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1u8c n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8c n GLY 54 N 1.69 0.64 3.56 -0.02 0.00 -1.04 -1.84 105.19 108.19 1u8c n GLY 54 Ca -0.09 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1u8c n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u8c s GLN 55 N -3.10 1.72 -0.15 1.61 -2.07 -1.07 -4.72 119.66 111.89 1u8c s GLN 55 Ca 0.00 -1.45 -0.00 0.00 -1.82 0.00 0.00 55.36 52.08 1u8c s GLN 55 Cb 0.00 0.47 0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1u8c s GLN 55 CO 0.00 -0.72 -0.07 0.08 -1.32 0.00 0.00 175.29 173.26 1u8c s VAL 56 N -3.53 1.16 -0.15 3.63 1.01 -1.26 0.55 120.40 121.81 1u8c s VAL 56 Ca 0.25 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1u8c s VAL 56 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 1u8c s VAL 56 CO 0.13 0.21 0.14 -0.76 0.00 0.00 0.00 175.10 174.82 1u8c s LEU 57 N 1.62 4.31 -0.30 3.92 1.02 -0.21 0.23 118.68 129.28 1u8c s LEU 57 Ca 0.02 0.38 -0.14 0.00 0.02 0.00 0.00 54.13 54.41 1u8c s LEU 57 Cb -0.15 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 43.94 1u8c s LEU 57 CO -0.08 0.31 0.31 -0.75 0.02 0.00 0.00 176.35 176.15 1u8c s LYS 58 N -0.41 3.83 -0.12 1.70 2.20 -0.99 -1.03 119.74 124.93 1u8c s LYS 58 Ca 0.12 -0.24 -0.06 0.00 -0.36 0.00 0.00 55.97 55.43 1u8c s LYS 58 Cb -0.12 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1u8c s LYS 58 CO 0.02 -0.33 0.12 0.00 -0.36 0.00 0.00 175.35 174.80 1u8c s ASP 60 N -1.01 6.57 -0.38 0.00 1.01 0.16 -1.66 116.67 121.36 1u8c s ASP 60 Ca 0.15 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.24 1u8c s ASP 60 Cb -0.12 -2.19 0.11 0.00 1.01 0.00 0.00 42.92 41.73 1u8c s ASP 60 CO 0.04 -0.09 0.14 0.86 0.21 0.00 0.00 175.17 176.33 1u8c s TRP 61 N -1.86 3.66 0.00 4.23 -0.00 -1.26 -4.20 118.94 119.51 1u8c s TRP 61 Ca 0.46 -2.70 0.00 0.00 -0.00 0.00 0.00 56.10 53.86 1u8c s TRP 61 Cb -0.11 -3.09 0.00 0.00 -0.00 0.00 0.00 33.47 30.27 1u8c s TRP 61 CO 0.24 -0.96 0.00 -1.13 -0.00 0.00 0.00 176.95 175.10 1u8c n SER 62 N 4.40 0.00 0.00 5.86 3.41 -1.26 -4.99 113.62 121.05 1u8c n SER 62 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1u8c n SER 62 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 1u8c n SER 62 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1u8c n SER 63 N 0.00 0.00 0.10 4.04 2.88 -1.26 -4.31 113.62 115.07 1u8c n SER 63 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1u8c n SER 63 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 1u8c n SER 63 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1u8c h THR 64 N 0.00 1.13 -6.78 2.46 2.02 -1.94 -3.46 112.91 106.34 1u8c h THR 64 Ca 0.00 -0.52 -0.56 0.00 0.77 0.00 0.00 66.41 66.10 1u8c h THR 64 Cb 0.00 0.99 -0.20 0.00 -1.74 0.00 0.00 68.15 67.20 1u8c h THR 64 CO 0.00 0.17 -0.86 -2.11 0.37 0.00 0.00 175.52 173.09 1u8c n ARG 65 N -4.36 -2.73 -3.81 6.66 1.85 -1.26 -4.94 116.66 108.07 1u8c n ARG 65 Ca 0.00 0.33 -0.27 0.00 -1.00 0.00 0.00 57.85 56.91 1u8c n ARG 65 Cb 0.19 -4.82 -0.03 0.00 -1.05 0.00 0.00 32.46 26.74 1u8c n ARG 65 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1u8c s ARG 66 N -6.94 3.49 -0.07 2.89 3.52 -1.26 -4.87 118.95 115.70 1u8c s ARG 66 Ca 0.55 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.69 1u8c s ARG 66 Cb -0.31 -2.90 0.04 0.00 -1.56 0.00 0.00 34.95 30.22 1u8c s ARG 66 CO 0.94 0.46 0.07 0.00 -0.81 0.00 0.00 175.30 175.96 1u8c s GLN 68 N 2.16 3.50 0.00 0.00 1.11 -0.75 -4.86 119.66 120.84 1u8c s GLN 68 Ca 0.04 -0.59 -0.33 0.00 0.01 0.00 0.00 55.36 54.49 1u8c s GLN 68 Cb -0.13 -2.89 -0.11 0.00 -1.01 0.00 0.00 33.01 28.87 1u8c s GLN 68 CO -0.05 0.07 1.86 -0.35 0.01 0.00 0.00 175.29 176.83 1u8c n PRO 69 N 4.01 2.43 -1.78 2.91 -0.04 -1.26 -2.34 135.00 138.92 1u8c n PRO 69 Ca -0.18 0.89 -0.42 0.00 -0.04 0.00 0.00 63.50 63.75 1u8c n PRO 69 Cb 0.52 -2.76 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1u8c n PRO 69 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1u8c s ILE 70 N 3.55 2.32 -0.79 0.52 1.01 0.13 -4.89 121.20 123.07 1u8c s ILE 70 Ca 0.88 0.15 -0.24 0.00 0.00 0.00 0.00 60.65 61.44 1u8c s ILE 70 Cb -0.60 -3.09 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1u8c s ILE 70 CO 0.46 0.01 1.22 -1.83 0.00 0.00 0.00 174.94 174.79 1u8c s GLU 71 N 1.58 3.27 -0.11 2.79 1.03 -1.26 -4.53 118.70 121.47 1u8c s GLU 71 Ca 0.75 -0.68 0.03 0.00 0.03 0.00 0.00 54.97 55.11 1u8c s GLU 71 Cb -0.47 -4.47 -0.24 0.00 -0.80 0.00 0.00 34.13 28.15 1u8c s GLU 71 CO 0.33 -2.04 0.40 1.19 -1.33 0.00 0.00 175.26 173.80 1u8c n PHE 72 N 8.63 0.95 -3.51 4.83 3.01 -1.26 -4.96 117.46 125.14 1u8c n PHE 72 Ca 0.08 0.26 -0.00 0.00 1.01 0.00 0.00 57.45 58.80 1u8c n PHE 72 Cb 0.48 -1.14 -0.05 0.00 -0.01 0.00 0.00 39.48 38.76 1u8c n PHE 72 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1u8c s ASP 73 N -6.51 -0.69 0.00 4.37 2.15 -1.26 -5.02 116.67 109.71 1u8c s ASP 73 Ca -0.16 0.99 0.22 0.00 0.43 0.00 0.00 52.55 54.03 1u8c s ASP 73 Cb 0.07 1.67 0.07 0.00 -0.30 0.00 0.00 42.92 44.44 1u8c s ASP 73 CO 0.78 -0.14 1.12 0.00 -0.17 0.00 0.00 175.17 176.76 1u8c n ALA 74 N 4.77 3.06 -2.35 3.66 0.00 -1.26 -4.96 120.51 123.42 1u8c n ALA 74 Ca -0.12 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.25 1u8c n ALA 74 Cb 0.53 -0.76 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 1u8c n ALA 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u8c s THR 75 N -2.17 3.87 0.00 0.00 2.01 -1.26 -4.42 115.64 113.66 1u8c s THR 75 Ca 0.21 1.33 0.00 0.00 0.31 0.00 0.00 61.69 63.54 1u8c s THR 75 Cb 0.18 -3.85 0.00 0.00 0.01 0.00 0.00 72.50 68.84 1u8c s THR 75 CO 0.43 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1u8c n GLY 76 N 3.32 -0.76 3.66 4.40 0.00 -1.26 -4.87 105.19 109.69 1u8c n GLY 76 Ca 0.10 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 1u8c n GLY 76 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8c s ASN 77 N -1.38 6.86 0.79 1.61 0.01 -1.26 -5.00 114.94 116.57 1u8c s ASN 77 Ca 0.00 1.05 -0.11 0.00 -0.71 0.00 0.00 52.86 53.09 1u8c s ASN 77 Cb 0.00 -2.42 0.07 0.00 0.41 0.00 0.00 41.25 39.32 1u8c s ASN 77 CO 0.00 -0.37 1.11 -0.13 -1.51 0.00 0.00 177.10 176.21 1u8c s ARG 78 N 2.13 1.99 0.18 -0.60 0.52 -1.26 -4.84 118.95 117.07 1u8c s ARG 78 Ca 0.35 1.31 0.06 0.00 -0.52 0.00 0.00 55.73 56.93 1u8c s ARG 78 Cb -0.16 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1u8c s ARG 78 CO 0.11 -1.86 0.10 -0.51 0.02 0.00 0.00 175.30 173.16 1u8c s ASP 79 N -3.07 5.30 -0.02 0.23 -0.00 -1.26 -0.47 116.67 117.38 1u8c s ASP 79 Ca 0.64 -0.23 0.07 0.00 -0.00 0.00 0.00 52.55 53.03 1u8c s ASP 79 Cb -0.19 -1.31 -0.11 0.00 -0.00 0.00 0.00 42.92 41.31 1u8c s ASP 79 CO 0.55 0.06 0.15 0.00 -0.00 0.00 0.00 175.17 175.92 1u8c n TYR 80 N -0.40 0.00 -3.81 4.23 9.36 -0.74 -4.60 117.16 121.21 1u8c n TYR 80 Ca -0.09 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.12 1u8c n TYR 80 Cb 0.55 -0.18 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 1u8c n TYR 80 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1u8c s ALA 81 N -2.47 -1.89 -0.12 2.98 0.00 -1.15 -5.01 121.76 114.09 1u8c s ALA 81 Ca -0.03 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1u8c s ALA 81 Cb 0.04 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1u8c s ALA 81 CO 0.30 -1.07 1.39 0.21 0.00 0.00 0.00 175.76 176.58 1u8c s LYS 82 N -2.48 4.22 0.00 0.00 2.47 -1.26 -2.85 119.74 119.84 1u8c s LYS 82 Ca 0.19 1.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.43 1u8c s LYS 82 Cb -0.00 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.54 1u8c s LYS 82 CO 0.02 -0.74 0.00 -0.25 0.16 0.00 0.00 175.35 174.53 1u8c n ASP 83 N 6.71 0.00 -4.26 1.43 10.43 -1.26 -4.99 116.55 124.61 1u8c n ASP 83 Ca 0.15 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 57.07 1u8c n ASP 83 Cb 0.44 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 43.34 1u8c n ASP 83 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1u8c s ASP 84 N -0.82 5.98 0.44 -2.24 -1.08 -1.13 -5.06 116.67 112.77 1u8c s ASP 84 Ca 0.00 -1.95 -0.25 0.00 -0.52 0.00 0.00 52.55 49.83 1u8c s ASP 84 Cb 0.00 -2.11 -0.09 0.00 -1.46 0.00 0.00 42.92 39.27 1u8c s ASP 84 CO 0.00 -0.75 1.43 -2.65 0.52 0.00 0.00 175.17 173.72 1u8c n PRO 85 N 4.94 2.27 0.00 4.34 -0.02 -1.26 -1.79 135.00 143.48 1u8c n PRO 85 Ca -0.08 0.81 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1u8c n PRO 85 Cb 0.41 -2.62 -0.13 0.00 -0.02 0.00 0.00 33.50 31.13 1u8c n PRO 85 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1u8c h LEU 86 N 2.33 0.00 -8.11 2.45 5.85 -1.03 -3.43 115.31 113.37 1u8c h LEU 86 Ca -0.51 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.09 1u8c h LEU 86 Cb 1.27 -0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.14 1u8c h LEU 86 CO 0.61 1.00 -0.62 -1.83 -0.34 0.00 0.00 178.44 177.26 1u8c s GLU 87 N -2.63 0.60 -0.12 1.25 -1.05 -1.25 -1.70 118.70 113.80 1u8c s GLU 87 Ca -0.03 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1u8c s GLU 87 Cb 0.09 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1u8c s GLU 87 CO 0.82 -0.13 -0.11 -0.06 0.95 0.00 0.00 175.26 176.73 1u8c s PHE 88 N -3.45 1.79 -0.13 4.83 0.40 0.06 -4.58 117.98 116.89 1u8c s PHE 88 Ca 0.02 -0.92 0.16 0.00 -0.60 0.00 0.00 56.93 55.60 1u8c s PHE 88 Cb 0.04 -1.38 -0.24 0.00 0.51 0.00 0.00 43.02 41.96 1u8c s PHE 88 CO -0.08 -0.55 0.15 1.63 0.70 0.00 0.00 175.22 177.07 1u8c n LYS 89 N 4.69 1.00 -1.73 0.44 5.02 -1.26 -2.34 118.16 123.98 1u8c n LYS 89 Ca -0.16 -0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.66 1u8c n LYS 89 Cb 0.50 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1u8c n LYS 89 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1u8c s SER 90 N -4.89 6.38 -0.82 4.39 1.04 -1.26 -2.14 113.70 116.40 1u8c s SER 90 Ca -0.08 2.87 -0.04 0.00 0.48 0.00 0.00 55.95 59.18 1u8c s SER 90 Cb 0.07 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1u8c s SER 90 CO 0.73 -0.97 0.52 1.41 0.98 0.00 0.00 173.24 175.91 1u8c n HIS 91 N 4.02 -1.39 1.06 5.02 8.25 0.32 -4.95 115.22 127.55 1u8c n HIS 91 Ca 0.16 0.44 0.12 0.00 -0.26 0.00 0.00 57.72 58.18 1u8c n HIS 91 Cb 0.35 -3.14 0.26 0.00 1.12 0.00 0.00 29.99 28.58 1u8c n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u8c n GLN 92 N -2.83 0.22 -3.49 -0.41 10.64 -0.91 -4.70 117.38 115.90 1u8c n GLN 92 Ca -0.03 -0.14 -0.19 0.00 -1.83 0.00 0.00 57.00 54.81 1u8c n GLN 92 Cb 0.55 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.50 1u8c n GLN 92 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 1u8c n TRP 93 N -1.27 -2.15 -2.65 2.61 7.02 -1.25 -0.39 117.44 119.36 1u8c n TRP 93 Ca 0.07 0.83 -0.42 0.00 -1.02 0.00 0.00 57.50 56.96 1u8c n TRP 93 Cb 0.34 -4.43 -0.03 0.00 -2.42 0.00 0.00 31.31 24.77 1u8c n TRP 93 CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1u8c s PHE 94 N -3.47 3.46 0.00 -5.99 5.36 -0.77 -2.93 117.98 113.65 1u8c s PHE 94 Ca 0.18 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 1u8c s PHE 94 Cb -0.04 -3.23 0.00 0.00 -0.34 0.00 0.00 43.02 39.42 1u8c s PHE 94 CO 0.77 -0.40 0.00 0.41 -1.46 0.00 0.00 175.22 174.54 1u8c n GLY 95 N 3.13 1.40 0.10 13.12 0.00 0.32 -2.58 105.19 120.68 1u8c n GLY 95 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.16 1u8c n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8c n ALA 96 N -0.49 0.74 -3.66 4.61 0.00 -1.15 -4.26 120.51 116.30 1u8c n ALA 96 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1u8c n ALA 96 Cb 0.00 -0.85 -0.08 0.00 0.00 0.00 0.00 19.45 18.52 1u8c n ALA 96 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8c s SER 97 N -3.24 -0.76 -0.19 0.00 1.04 -1.26 -4.75 113.70 104.54 1u8c s SER 97 Ca -0.01 1.27 -0.04 0.00 0.48 0.00 0.00 55.95 57.65 1u8c s SER 97 Cb 0.03 1.27 0.08 0.00 0.10 0.00 0.00 66.02 67.50 1u8c s SER 97 CO 0.08 -0.22 0.19 -0.69 0.98 0.00 0.00 173.24 173.58 1u8c s VAL 98 N 1.78 -0.27 0.25 5.02 1.01 -1.26 -2.58 120.40 124.36 1u8c s VAL 98 Ca -0.09 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 61.91 1u8c s VAL 98 Cb -0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1u8c s VAL 98 CO -0.17 -0.20 -0.20 -0.13 0.00 0.00 0.00 175.10 174.41 1u8c s ARG 99 N 2.28 1.59 -0.00 2.72 1.81 -0.97 -4.48 118.95 121.89 1u8c s ARG 99 Ca 0.05 -1.70 -0.02 0.00 -1.72 0.00 0.00 55.73 52.35 1u8c s ARG 99 Cb -0.15 -1.67 -0.00 0.00 -0.45 0.00 0.00 34.95 32.68 1u8c s ARG 99 CO -0.11 0.31 0.04 -1.54 -0.68 0.00 0.00 175.30 173.33 1u8c s SER 100 N -3.35 0.04 -0.07 0.23 1.04 -1.26 -0.17 113.70 110.17 1u8c s SER 100 Ca 0.27 -0.11 0.10 0.00 0.48 0.00 0.00 55.95 56.69 1u8c s SER 100 Cb -0.05 0.12 -0.15 0.00 0.10 0.00 0.00 66.02 66.04 1u8c s SER 100 CO 0.13 -0.15 0.13 1.17 0.98 0.00 0.00 173.24 175.51 1u8c n LYS 101 N 2.42 1.40 0.00 4.02 0.00 -0.88 -4.96 118.16 120.17 1u8c n LYS 101 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 58.31 58.09 1u8c n LYS 101 Cb 0.58 -1.28 0.00 0.00 0.00 0.00 0.00 35.03 34.33 1u8c n LYS 101 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1u8c n GLN 102 N -2.18 0.00 0.00 1.64 -0.06 -1.26 -4.88 117.38 110.64 1u8c n GLN 102 Ca -0.11 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.00 1u8c n GLN 102 Cb 0.61 0.00 0.57 0.00 -4.06 0.00 0.00 30.24 27.35 1u8c n GLN 102 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1u8c n ASP 103 N 0.00 0.00 -4.72 1.69 8.00 -1.26 -4.06 116.55 116.20 1u8c n ASP 103 Ca 0.00 -0.26 -0.27 0.00 0.71 0.00 0.00 54.79 54.97 1u8c n ASP 103 Cb 0.00 -0.18 -0.07 0.00 -0.02 0.00 0.00 41.12 40.85 1u8c n ASP 103 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1u8c s LYS 104 N -2.36 2.64 -0.13 -1.24 -2.85 -1.26 -3.21 119.74 111.33 1u8c s LYS 104 Ca 0.24 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 54.19 1u8c s LYS 104 Cb 0.14 -2.51 0.05 0.00 -2.06 0.00 0.00 37.83 33.45 1u8c s LYS 104 CO 0.29 0.48 0.30 0.96 0.10 0.00 0.00 175.35 177.49 1u8c s ILE 105 N -1.66 -0.06 -0.02 3.79 -4.36 -0.15 -2.07 121.20 116.67 1u8c s ILE 105 Ca 0.29 0.14 -0.17 0.00 -0.26 0.00 0.00 60.65 60.64 1u8c s ILE 105 Cb -0.10 -0.46 -0.05 0.00 1.25 0.00 0.00 42.46 43.09 1u8c s ILE 105 CO 0.21 0.06 0.47 -0.22 0.24 0.00 0.00 174.94 175.69 1u8c s LEU 106 N 1.39 4.42 -0.08 0.37 0.20 0.77 -1.79 118.68 123.95 1u8c s LEU 106 Ca -0.09 0.98 -0.03 0.00 0.69 0.00 0.00 54.13 55.68 1u8c s LEU 106 Cb -0.10 -2.69 0.04 0.00 -0.43 0.00 0.00 46.19 43.01 1u8c s LEU 106 CO -0.10 0.21 0.15 0.00 -0.29 0.00 0.00 176.35 176.32 1u8c s ALA 107 N -0.52 -0.15 0.28 5.97 0.00 -0.96 -2.30 121.76 124.08 1u8c s ALA 107 Ca 0.26 0.55 0.09 0.00 0.00 0.00 0.00 51.96 52.86 1u8c s ALA 107 Cb -0.17 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1u8c s ALA 107 CO 0.14 -0.51 0.06 0.00 0.00 0.00 0.00 175.76 175.45 1u8c s ALA 109 N -2.31 2.07 -2.00 0.00 0.00 0.12 -0.52 121.76 119.12 1u8c s ALA 109 Ca 0.33 -2.59 0.17 0.00 0.00 0.00 0.00 51.96 49.86 1u8c s ALA 109 Cb -0.06 -1.85 1.00 0.00 0.00 0.00 0.00 23.12 22.20 1u8c s ALA 109 CO 0.21 -2.06 1.55 -0.35 0.00 0.00 0.00 175.76 175.11 1u8c n PRO 110 N 3.42 0.88 -0.27 0.00 -0.04 -1.19 -2.46 135.00 135.34 1u8c n PRO 110 Ca 0.12 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 1u8c n PRO 110 Cb 0.36 -1.30 0.19 0.00 -0.04 0.00 0.00 33.50 32.71 1u8c n PRO 110 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1u8c n LEU 111 N -0.80 3.21 -4.71 1.53 7.99 0.48 -4.51 117.00 120.20 1u8c n LEU 111 Ca 0.13 -2.76 -0.42 0.00 -0.01 0.00 0.00 56.01 52.94 1u8c n LEU 111 Cb 0.06 -0.42 -0.03 0.00 -0.11 0.00 0.00 43.42 42.92 1u8c n LEU 111 CO 0.09 0.68 1.15 -0.47 -1.51 0.00 0.00 177.39 177.33 1u8c s TYR 112 N -2.35 3.00 0.13 -1.77 5.04 -1.07 -4.27 117.35 116.05 1u8c s TYR 112 Ca 0.33 0.77 0.05 0.00 -2.44 0.00 0.00 57.07 55.77 1u8c s TYR 112 Cb 0.26 -3.76 -0.04 0.00 0.35 0.00 0.00 41.96 38.76 1u8c s TYR 112 CO 0.08 -2.81 0.06 -1.01 -1.34 0.00 0.00 175.55 170.53 1u8c s HIS 113 N 1.64 3.05 -0.00 4.97 3.76 -0.99 -2.52 115.29 125.20 1u8c s HIS 113 Ca 0.67 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 1u8c s HIS 113 Cb -0.37 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 1u8c s HIS 113 CO 0.30 0.51 -0.07 -0.46 -0.85 0.00 0.00 174.74 174.17 1u8c s TRP 114 N -1.55 0.59 -0.75 1.40 -0.00 -0.15 -0.76 118.94 117.73 1u8c s TRP 114 Ca 0.28 -0.13 0.23 0.00 -0.00 0.00 0.00 56.10 56.48 1u8c s TRP 114 Cb -0.11 -0.38 0.03 0.00 -0.00 0.00 0.00 33.47 33.01 1u8c s TRP 114 CO 0.21 -0.01 1.03 2.89 -0.00 0.00 0.00 176.95 181.06 1u8c n ARG 115 N 2.84 0.18 -0.67 5.86 -4.01 -0.69 -0.07 116.66 120.10 1u8c n ARG 115 Ca -0.14 -0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.66 1u8c n ARG 115 Cb 0.58 -1.55 0.00 0.00 -3.04 0.00 0.00 32.46 28.45 1u8c n ARG 115 CO 0.00 0.00 0.00 0.25 -3.04 0.00 0.00 177.63 174.84 1u8c n THR 116 N -1.78 -2.14 0.31 8.89 -2.24 -1.26 -1.02 114.28 115.04 1u8c n THR 116 Ca 0.03 0.85 0.16 0.00 -2.27 0.00 0.00 64.05 62.82 1u8c n THR 116 Cb 0.40 -1.25 0.70 0.00 -2.10 0.00 0.00 70.33 68.08 1u8c n THR 116 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1u8c h GLU 117 N 0.43 0.00 0.00 -0.78 4.39 -1.96 -3.40 114.58 113.25 1u8c h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u8c h GLU 117 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1u8c h GLU 117 CO 0.00 0.00 0.00 -1.33 -1.16 0.00 0.00 179.01 176.52 1u8c n MET 118 N -2.75 0.00 -2.27 2.33 2.81 -1.26 -5.01 117.12 110.96 1u8c n MET 118 Ca 0.00 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1u8c n MET 118 Cb 0.22 0.00 0.13 0.00 -0.71 0.00 0.00 33.22 32.86 1u8c n MET 118 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1u8c s LYS 119 N 0.03 1.40 -0.51 0.03 -2.85 -1.26 -5.01 119.74 111.58 1u8c s LYS 119 Ca 0.00 -0.69 -0.22 0.00 -1.00 0.00 0.00 55.97 54.06 1u8c s LYS 119 Cb 0.00 -2.12 0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1u8c s LYS 119 CO 0.00 -1.76 0.80 -1.14 0.10 0.00 0.00 175.35 173.35 1u8c s GLN 120 N -5.43 3.29 0.00 1.78 0.74 -1.26 -4.49 119.66 114.29 1u8c s GLN 120 Ca 0.68 -0.40 0.00 0.00 0.05 0.00 0.00 55.36 55.68 1u8c s GLN 120 Cb -0.06 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 30.02 1u8c s GLN 120 CO 0.48 -1.30 0.00 0.39 -0.55 0.00 0.00 175.29 174.31 1u8c n GLU 121 N 6.86 2.89 -2.71 1.67 -0.58 -0.19 -5.06 120.64 123.52 1u8c n GLU 121 Ca -0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.67 1u8c n GLU 121 Cb 0.47 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.42 1u8c n GLU 121 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1u8c n ARG 122 N -0.08 0.55 -3.28 3.49 1.74 -1.14 -4.08 116.66 113.86 1u8c n ARG 122 Ca 0.00 -1.32 -0.38 0.00 -0.77 0.00 0.00 57.85 55.37 1u8c n ARG 122 Cb 0.00 -0.82 -0.06 0.00 -1.02 0.00 0.00 32.46 30.56 1u8c n ARG 122 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1u8c s GLU 123 N 0.34 4.27 -1.26 5.56 2.02 0.90 -4.71 118.70 125.82 1u8c s GLU 123 Ca 0.26 0.43 -0.19 0.00 0.02 0.00 0.00 54.97 55.50 1u8c s GLU 123 Cb 0.25 -3.50 0.01 0.00 0.10 0.00 0.00 34.13 30.99 1u8c s GLU 123 CO -0.15 0.01 1.89 -0.35 0.02 0.00 0.00 175.26 176.68 1u8c n PRO 124 N 4.21 2.64 0.08 0.39 -0.04 -1.17 -0.98 135.00 140.13 1u8c n PRO 124 Ca -0.06 -2.84 0.02 0.00 -0.04 0.00 0.00 63.50 60.58 1u8c n PRO 124 Cb 0.51 -3.46 -0.03 0.00 -0.04 0.00 0.00 33.50 30.48 1u8c n PRO 124 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1u8c h VAL 125 N 5.29 0.60 0.00 0.52 -1.51 -1.48 -2.42 116.25 117.25 1u8c h VAL 125 Ca 0.42 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.90 1u8c h VAL 125 Cb 0.82 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1u8c h VAL 125 CO 1.54 0.34 0.00 0.61 -1.23 0.00 0.00 177.57 178.83 1u8c n GLY 126 N 1.31 -2.07 3.59 5.19 0.00 -1.05 -1.55 105.19 110.61 1u8c n GLY 126 Ca -0.04 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.36 1u8c n GLY 126 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u8c s THR 127 N -2.29 0.00 0.51 2.61 -1.32 -1.03 -4.71 115.64 109.42 1u8c s THR 127 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 1u8c s THR 127 Cb 0.00 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.02 1u8c s THR 127 CO 0.00 0.00 0.26 0.00 -2.21 0.00 0.00 174.62 172.67 1u8c s PHE 129 N -2.67 -0.67 -0.28 0.00 0.40 0.20 -2.56 117.98 112.41 1u8c s PHE 129 Ca 0.20 1.27 -0.09 0.00 -0.60 0.00 0.00 56.93 57.70 1u8c s PHE 129 Cb -0.02 0.16 -0.03 0.00 0.51 0.00 0.00 43.02 43.64 1u8c s PHE 129 CO 0.13 -0.46 0.13 -1.17 0.70 0.00 0.00 175.22 174.55 1u8c s LEU 130 N 2.54 3.81 0.16 -0.37 2.96 -0.92 -2.27 118.68 124.59 1u8c s LEU 130 Ca 0.01 -0.21 0.04 0.00 -0.22 0.00 0.00 54.13 53.74 1u8c s LEU 130 Cb -0.12 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1u8c s LEU 130 CO -0.12 -0.08 0.24 -1.58 -1.32 0.00 0.00 176.35 173.49 1u8c s GLN 131 N 1.67 3.24 -0.30 1.98 0.74 -0.74 -2.38 119.66 123.86 1u8c s GLN 131 Ca 0.06 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.79 1u8c s GLN 131 Cb -0.16 -2.84 0.20 0.00 1.10 0.00 0.00 33.01 31.31 1u8c s GLN 131 CO 0.07 0.50 0.67 0.34 -0.55 0.00 0.00 175.29 176.32 1u8c s ASP 132 N -3.25 -1.42 0.27 6.67 -1.08 -1.08 -0.97 116.67 115.82 1u8c s ASP 132 Ca 0.33 0.06 0.00 0.00 -0.52 0.00 0.00 52.55 52.42 1u8c s ASP 132 Cb -0.10 1.88 0.00 0.00 -1.46 0.00 0.00 42.92 43.24 1u8c s ASP 132 CO 0.27 -0.25 0.00 0.61 0.52 0.00 0.00 175.17 176.32 1u8c n GLY 133 N 5.23 1.41 0.10 2.66 0.00 -1.20 -3.20 105.19 110.20 1u8c n GLY 133 Ca 0.06 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1u8c n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u8c n THR 134 N 0.00 0.00 -1.81 2.61 -2.24 -1.26 -5.02 114.28 106.56 1u8c n THR 134 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1u8c n THR 134 Cb 0.00 -0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 67.75 1u8c n THR 134 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1u8c s LYS 135 N -1.79 4.15 -0.23 -0.78 2.47 -1.19 -4.97 119.74 117.40 1u8c s LYS 135 Ca 0.00 2.53 -0.01 0.00 -1.56 0.00 0.00 55.97 56.93 1u8c s LYS 135 Cb 0.00 -3.06 0.07 0.00 -1.46 0.00 0.00 37.83 33.38 1u8c s LYS 135 CO 0.00 -0.63 0.02 0.99 0.16 0.00 0.00 175.35 175.88 1u8c s THR 136 N 0.38 0.92 0.47 3.43 2.01 -1.26 -2.62 115.64 118.97 1u8c s THR 136 Ca 0.66 -0.93 0.03 0.00 0.31 0.00 0.00 61.69 61.77 1u8c s THR 136 Cb -0.47 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1u8c s THR 136 CO 0.42 -0.25 0.66 0.68 -0.69 0.00 0.00 174.62 175.44 1u8c s VAL 137 N 1.66 3.25 -0.21 3.82 -7.23 -1.00 -4.97 120.40 115.72 1u8c s VAL 137 Ca -0.01 -0.75 -0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1u8c s VAL 137 Cb -0.18 -3.17 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1u8c s VAL 137 CO -0.10 -0.10 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.80 1u8c s GLU 138 N -4.54 3.19 -0.17 4.82 2.12 -1.26 -2.16 118.70 120.70 1u8c s GLU 138 Ca 0.53 -0.73 -0.09 0.00 0.36 0.00 0.00 54.97 55.04 1u8c s GLU 138 Cb -0.10 -2.89 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1u8c s GLU 138 CO 0.36 -0.23 0.13 -0.47 -0.54 0.00 0.00 175.26 174.51 1u8c s TYR 139 N 1.41 3.49 -0.39 5.30 5.04 -1.06 -4.96 117.35 126.17 1u8c s TYR 139 Ca 0.05 0.41 0.10 0.00 -2.44 0.00 0.00 57.07 55.19 1u8c s TYR 139 Cb -0.14 -2.07 0.40 0.00 0.35 0.00 0.00 41.96 40.50 1u8c s TYR 139 CO -0.06 0.47 1.38 0.00 -1.34 0.00 0.00 175.55 176.00 1u8c n ALA 140 N 2.88 1.57 -0.60 3.97 0.00 -1.26 -0.51 120.51 126.56 1u8c n ALA 140 Ca -0.18 -1.30 0.47 0.00 0.00 0.00 0.00 53.44 52.43 1u8c n ALA 140 Cb 0.53 -0.97 0.74 0.00 0.00 0.00 0.00 19.45 19.75 1u8c n ALA 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1u8c n PRO 141 N -0.75 -0.01 0.02 0.00 -0.04 -1.26 -0.20 135.00 132.76 1u8c n PRO 141 Ca -0.05 1.10 0.12 0.00 -0.04 0.00 0.00 63.50 64.63 1u8c n PRO 141 Cb 0.85 -2.39 0.29 0.00 -0.04 0.00 0.00 33.50 32.22 1u8c n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u8c s ARG 143 N -3.05 3.13 0.21 0.00 3.52 0.72 -4.68 118.95 118.81 1u8c s ARG 143 Ca 0.10 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.95 1u8c s ARG 143 Cb 0.17 -4.21 -0.00 0.00 -1.56 0.00 0.00 34.95 29.34 1u8c s ARG 143 CO 0.68 -1.82 0.27 -1.13 -0.81 0.00 0.00 175.30 172.49 1u8c n SER 144 N 7.80 -0.73 0.00 -2.12 3.41 -1.26 -4.44 113.62 116.27 1u8c n SER 144 Ca -0.03 -2.21 0.06 0.00 -0.26 0.00 0.00 58.87 56.43 1u8c n SER 144 Cb 0.46 1.42 0.30 0.00 -0.26 0.00 0.00 64.21 66.13 1u8c n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8c n GLN 145 N -0.36 0.09 -2.91 4.33 3.00 -1.26 -4.20 117.38 116.06 1u8c n GLN 145 Ca 0.02 0.22 -0.44 0.00 -0.01 0.00 0.00 57.00 56.79 1u8c n GLN 145 Cb 0.36 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.09 1u8c n GLN 145 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1u8c s ASP 146 N -2.79 6.90 0.77 1.08 3.68 -1.26 -5.01 116.67 120.04 1u8c s ASP 146 Ca 0.09 -2.61 -0.02 0.00 2.13 0.00 0.00 52.55 52.13 1u8c s ASP 146 Cb 0.09 -2.41 0.15 0.00 -1.45 0.00 0.00 42.92 39.29 1u8c s ASP 146 CO 0.22 -0.89 1.05 0.27 0.13 0.00 0.00 175.17 175.94 1u8c s ILE 147 N 2.17 2.06 0.17 4.11 -5.25 -1.26 -2.71 121.20 120.49 1u8c s ILE 147 Ca 0.40 -0.53 0.00 0.00 -0.99 0.00 0.00 60.65 59.53 1u8c s ILE 147 Cb -0.03 -2.53 0.00 0.00 2.95 0.00 0.00 42.46 42.85 1u8c s ILE 147 CO -0.03 0.00 0.00 0.47 -1.79 0.00 0.00 174.94 173.59 1u8c n ASP 148 N -2.98 -4.25 0.19 4.36 10.43 -1.26 -3.87 116.55 119.17 1u8c n ASP 148 Ca 0.16 0.30 0.07 0.00 2.57 0.00 0.00 54.79 57.89 1u8c n ASP 148 Cb 0.61 -2.17 0.31 0.00 1.84 0.00 0.00 41.12 41.70 1u8c n ASP 148 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1u8c h ALA 149 N -0.66 0.93 -0.00 2.24 0.00 -1.95 0.54 119.26 120.35 1u8c h ALA 149 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1u8c h ALA 149 Cb 0.65 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1u8c h ALA 149 CO 0.01 0.40 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 1u8c n ASP 150 N -3.36 0.24 0.00 0.00 3.85 -1.26 -0.47 116.55 115.55 1u8c n ASP 150 Ca 0.01 -1.09 0.00 0.00 -0.71 0.00 0.00 54.79 53.00 1u8c n ASP 150 Cb 0.53 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 1u8c n ASP 150 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u8c n GLY 151 N 1.03 2.38 0.46 6.12 0.00 -0.97 -4.63 105.19 109.58 1u8c n GLY 151 Ca 0.23 -0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.19 1u8c n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u8c n GLN 152 N 0.00 2.81 0.30 1.61 6.02 -1.10 -0.44 117.38 126.59 1u8c n GLN 152 Ca 0.00 -2.05 0.19 0.00 -0.01 0.00 0.00 57.00 55.13 1u8c n GLN 152 Cb 0.00 -1.29 1.03 0.00 1.02 0.00 0.00 30.24 30.99 1u8c n GLN 152 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1u8c h GLY 153 N 1.31 0.00 -1.83 1.08 0.00 -0.04 -3.10 103.07 100.48 1u8c h GLY 153 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1u8c h GLY 153 CO 0.03 0.00 -0.65 0.69 0.00 0.00 0.00 176.54 176.61 1u8c n PHE 154 N -3.39 0.39 0.17 5.60 3.01 -1.26 -3.04 117.46 118.94 1u8c n PHE 154 Ca -0.02 -1.44 -0.14 0.00 1.01 0.00 0.00 57.45 56.86 1u8c n PHE 154 Cb 0.15 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 39.31 1u8c n PHE 154 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u8c n GLN 156 N -5.37 -3.85 -1.90 0.00 6.02 -0.92 -0.79 117.38 110.57 1u8c n GLN 156 Ca -0.08 0.47 -0.42 0.00 -0.01 0.00 0.00 57.00 56.96 1u8c n GLN 156 Cb 0.28 -4.39 -0.03 0.00 1.02 0.00 0.00 30.24 27.12 1u8c n GLN 156 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1u8c s GLY 157 N -3.66 1.67 0.00 1.08 0.00 -0.59 -1.94 107.32 103.88 1u8c s GLY 157 Ca 0.06 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.20 1u8c s GLY 157 CO 0.41 2.61 0.00 0.61 0.00 0.00 0.00 173.10 176.73 1u8c n GLY 158 N 3.40 0.87 0.27 0.20 0.00 0.77 -3.75 105.19 106.94 1u8c n GLY 158 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 1u8c n GLY 158 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1u8c h PHE 159 N 0.00 0.00 -3.09 1.61 3.57 -0.69 -3.42 116.94 114.92 1u8c h PHE 159 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1u8c h PHE 159 Cb 0.00 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 38.54 1u8c h PHE 159 CO 0.00 0.04 -0.30 -1.54 -2.23 0.00 0.00 178.31 174.29 1u8c s SER 160 N -6.66 -0.17 0.22 0.41 1.04 -1.23 -4.89 113.70 102.42 1u8c s SER 160 Ca -0.05 0.06 -0.15 0.00 0.48 0.00 0.00 55.95 56.29 1u8c s SER 160 Cb 0.16 0.30 0.01 0.00 0.10 0.00 0.00 66.02 66.59 1u8c s SER 160 CO 0.63 -0.44 0.50 0.27 0.98 0.00 0.00 173.24 175.18 1u8c s ILE 161 N -1.32 0.02 -0.25 -1.02 -4.36 -1.25 -0.43 121.20 112.59 1u8c s ILE 161 Ca -0.14 -1.11 -0.32 0.00 -0.26 0.00 0.00 60.65 58.82 1u8c s ILE 161 Cb -0.05 -1.89 0.17 0.00 1.25 0.00 0.00 42.46 41.93 1u8c s ILE 161 CO 0.04 -0.08 1.29 -0.62 0.24 0.00 0.00 174.94 175.80 1u8c s ASP 162 N -2.94 -0.09 0.31 4.36 2.15 -0.42 -4.91 116.67 115.13 1u8c s ASP 162 Ca 0.15 0.06 0.07 0.00 0.43 0.00 0.00 52.55 53.26 1u8c s ASP 162 Cb -0.01 0.09 -0.03 0.00 -0.30 0.00 0.00 42.92 42.67 1u8c s ASP 162 CO 0.03 -0.12 0.30 -0.36 -0.17 0.00 0.00 175.17 174.85 1u8c s PHE 163 N -1.57 3.03 0.25 -5.34 0.40 -1.26 -0.08 117.98 113.41 1u8c s PHE 163 Ca 0.08 -0.22 0.11 0.00 -0.60 0.00 0.00 56.93 56.30 1u8c s PHE 163 Cb -0.01 -1.71 -0.05 0.00 0.51 0.00 0.00 43.02 41.77 1u8c s PHE 163 CO -0.05 0.26 -0.12 0.95 0.70 0.00 0.00 175.22 176.96 1u8c s THR 164 N -2.22 2.89 0.16 0.64 -4.23 -0.90 -4.84 115.64 107.15 1u8c s THR 164 Ca 0.39 -2.11 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 1u8c s THR 164 Cb -0.07 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 1u8c s THR 164 CO 0.27 -0.33 1.55 0.50 -0.54 0.00 0.00 174.62 176.07 1u8c h LYS 165 N 2.31 -0.14 -1.01 3.99 3.64 -1.95 0.52 116.57 123.92 1u8c h LYS 165 Ca -0.43 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1u8c h LYS 165 Cb 1.24 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1u8c h LYS 165 CO 0.58 -0.09 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1u8c n ALA 166 N -3.22 1.86 -2.86 5.00 0.00 -1.26 -4.82 120.51 115.20 1u8c n ALA 166 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 1u8c n ALA 166 Cb 0.32 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1u8c n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u8c n ASP 167 N 0.52 -5.15 -3.70 0.00 2.03 0.18 -5.00 116.55 105.42 1u8c n ASP 167 Ca 0.00 1.10 -0.09 0.00 0.52 0.00 0.00 54.79 56.32 1u8c n ASP 167 Cb 0.18 -3.66 -0.02 0.00 -0.72 0.00 0.00 41.12 36.90 1u8c n ASP 167 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1u8c s ARG 168 N -0.79 1.58 -0.06 -0.67 3.52 -1.24 -4.20 118.95 117.10 1u8c s ARG 168 Ca -0.10 -0.79 0.05 0.00 -0.13 0.00 0.00 55.73 54.76 1u8c s ARG 168 Cb 0.01 0.59 -0.02 0.00 -1.56 0.00 0.00 34.95 33.97 1u8c s ARG 168 CO 0.45 -0.71 -0.19 0.08 -0.81 0.00 0.00 175.30 174.11 1u8c s VAL 169 N -3.82 2.62 -0.28 7.11 1.01 0.21 -2.13 120.40 125.12 1u8c s VAL 169 Ca 0.08 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1u8c s VAL 169 Cb -0.04 -2.00 0.03 0.00 0.00 0.00 0.00 36.38 34.37 1u8c s VAL 169 CO -0.00 0.57 -0.01 -0.22 0.00 0.00 0.00 175.10 175.44 1u8c s LEU 170 N -0.42 3.59 -0.10 3.92 0.20 0.88 -2.09 118.68 124.66 1u8c s LEU 170 Ca 0.04 -1.02 0.04 0.00 0.69 0.00 0.00 54.13 53.89 1u8c s LEU 170 Cb -0.12 -1.72 -0.00 0.00 -0.43 0.00 0.00 46.19 43.92 1u8c s LEU 170 CO 0.02 -0.20 -0.24 -0.22 -0.29 0.00 0.00 176.35 175.42 1u8c s LEU 171 N 1.32 2.08 -0.01 -0.68 0.20 -0.48 -1.30 118.68 119.82 1u8c s LEU 171 Ca -0.02 -0.55 0.01 0.00 0.69 0.00 0.00 54.13 54.26 1u8c s LEU 171 Cb -0.18 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.14 1u8c s LEU 171 CO -0.02 0.16 -0.00 -0.83 -0.29 0.00 0.00 176.35 175.37 1u8c s GLY 172 N 0.32 1.86 -0.31 7.98 0.00 0.43 -1.27 107.32 116.33 1u8c s GLY 172 Ca -0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 1u8c s GLY 172 CO 0.09 -0.79 0.15 -0.32 0.00 0.00 0.00 173.10 172.23 1u8c s GLY 173 N -1.47 0.67 0.65 0.20 0.00 -0.59 -0.17 107.32 106.62 1u8c s GLY 173 Ca 0.19 -1.40 0.34 0.00 0.00 0.00 0.00 44.72 43.84 1u8c s GLY 173 CO 0.09 2.03 2.06 -0.56 0.00 0.00 0.00 173.10 176.72 1u8c h PRO 174 N 7.93 0.00 0.00 2.90 0.13 -1.40 -0.35 132.00 141.20 1u8c h PRO 174 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1u8c h PRO 174 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1u8c h PRO 174 CO 0.39 0.00 -0.74 0.78 -0.23 0.00 0.00 178.00 178.20 1u8c h GLY 175 N 0.00 0.00 -5.20 1.56 0.00 -0.97 -3.26 103.07 95.20 1u8c h GLY 175 Ca 0.03 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.67 1u8c h GLY 175 CO -0.00 0.00 0.05 1.44 0.00 0.00 0.00 176.54 178.03 1u8c n SER 176 N -2.37 0.51 -3.35 0.19 7.64 -1.16 -0.37 113.62 114.72 1u8c n SER 176 Ca 0.02 1.14 -0.18 0.00 1.01 0.00 0.00 58.87 60.87 1u8c n SER 176 Cb 0.48 -1.10 0.01 0.00 -1.01 0.00 0.00 64.21 62.59 1u8c n SER 176 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1u8c n PHE 177 N 1.12 -2.72 -3.80 1.43 0.99 0.42 -1.01 117.46 113.88 1u8c n PHE 177 Ca 0.16 1.09 -0.26 0.00 -0.00 0.00 0.00 57.45 58.45 1u8c n PHE 177 Cb 0.22 -3.19 0.01 0.00 -1.00 0.00 0.00 39.48 35.52 1u8c n PHE 177 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1u8c n TYR 178 N -1.42 -1.80 -1.40 1.38 0.53 0.38 -1.46 117.16 113.37 1u8c n TYR 178 Ca -0.10 0.70 -0.15 0.00 -1.02 0.00 0.00 57.90 57.33 1u8c n TYR 178 Cb 0.59 -3.85 -0.06 0.00 -1.03 0.00 0.00 39.34 34.99 1u8c n TYR 178 CO 0.00 0.00 0.00 0.91 -1.02 0.00 0.00 176.86 176.75 1u8c n TRP 179 N -4.29 -0.20 -0.01 -0.72 7.02 0.51 -1.02 117.44 118.72 1u8c n TRP 179 Ca -0.25 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.12 1u8c n TRP 179 Cb 0.66 -2.81 -0.06 0.00 -2.42 0.00 0.00 31.31 26.68 1u8c n TRP 179 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1u8c h GLN 180 N 0.00 0.15 0.00 -0.99 4.20 0.02 -0.47 115.11 118.02 1u8c h GLN 180 Ca -0.30 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.39 1u8c h GLN 180 Cb 1.03 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1u8c h GLN 180 CO 0.44 0.23 0.00 0.41 -0.67 0.00 0.00 178.83 179.24 1u8c n GLY 181 N -0.77 3.13 3.14 3.46 0.00 -0.18 -0.17 105.19 113.80 1u8c n GLY 181 Ca -0.06 -1.95 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 1u8c n GLY 181 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1u8c s GLN 182 N -3.08 0.63 -0.05 1.61 0.74 -0.15 -4.65 119.66 114.71 1u8c s GLN 182 Ca 0.00 -0.72 0.04 0.00 0.05 0.00 0.00 55.36 54.73 1u8c s GLN 182 Cb 0.00 0.25 -0.00 0.00 1.10 0.00 0.00 33.01 34.36 1u8c s GLN 182 CO 0.00 -0.17 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.89 1u8c s LEU 183 N -2.14 1.91 -0.03 3.68 1.02 -1.26 -1.54 118.68 120.32 1u8c s LEU 183 Ca -0.05 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.73 1u8c s LEU 183 Cb -0.01 -0.99 0.03 0.00 0.02 0.00 0.00 46.19 45.24 1u8c s LEU 183 CO -0.05 0.15 0.03 -0.63 0.02 0.00 0.00 176.35 175.88 1u8c s ILE 184 N 0.08 -0.00 -0.18 -0.59 1.01 -0.39 -2.19 121.20 118.93 1u8c s ILE 184 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1u8c s ILE 184 Cb -0.12 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.20 1u8c s ILE 184 CO 0.03 0.14 -0.18 -0.55 0.00 0.00 0.00 174.94 174.38 1u8c s SER 185 N 1.51 3.15 0.11 3.58 0.15 0.89 -1.38 113.70 121.72 1u8c s SER 185 Ca -0.03 -0.68 0.07 0.00 0.70 0.00 0.00 55.95 56.01 1u8c s SER 185 Cb -0.13 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 1u8c s SER 185 CO -0.03 -0.03 -0.18 -1.81 1.20 0.00 0.00 173.24 172.39 1u8c s ASP 186 N 1.32 2.34 -0.03 5.45 1.01 -0.89 -0.70 116.67 125.17 1u8c s ASP 186 Ca 0.04 -0.72 -0.30 0.00 0.71 0.00 0.00 52.55 52.28 1u8c s ASP 186 Cb -0.14 -0.12 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1u8c s ASP 186 CO -0.12 -0.01 1.26 -1.10 0.21 0.00 0.00 175.17 175.41 1u8c s GLN 187 N -2.12 4.33 0.25 8.23 -0.21 -1.26 -0.62 119.66 128.27 1u8c s GLN 187 Ca 0.07 1.76 -0.07 0.00 0.02 0.00 0.00 55.36 57.14 1u8c s GLN 187 Cb -0.09 -3.55 0.44 0.00 1.00 0.00 0.00 33.01 30.81 1u8c s GLN 187 CO 0.04 -0.48 1.62 0.28 -2.12 0.00 0.00 175.29 174.63 1u8c h VAL 188 N 4.96 0.26 0.38 1.09 2.07 -1.90 -0.22 116.25 122.89 1u8c h VAL 188 Ca -0.35 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1u8c h VAL 188 Cb 1.17 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1u8c h VAL 188 CO 0.88 0.01 -0.39 0.00 0.02 0.00 0.00 177.57 178.09 1u8c h ALA 189 N 1.76 -0.85 -0.50 1.67 0.00 -1.91 -1.83 119.26 117.61 1u8c h ALA 189 Ca 0.42 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.34 1u8c h ALA 189 Cb 0.73 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1u8c h ALA 189 CO -0.74 -1.02 0.36 1.49 0.00 0.00 0.00 179.25 179.35 1u8c h GLU 190 N -0.80 0.00 -0.35 0.00 4.57 -1.59 0.14 114.58 116.56 1u8c h GLU 190 Ca -0.03 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.05 1u8c h GLU 190 Cb 0.72 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 1u8c h GLU 190 CO -0.07 0.00 -0.19 0.82 -1.18 0.00 0.00 179.01 178.39 1u8c h ILE 191 N 0.00 1.29 0.00 2.32 2.04 -0.26 -0.70 117.51 122.19 1u8c h ILE 191 Ca 0.24 -1.32 -0.10 0.00 1.00 0.00 0.00 64.86 64.68 1u8c h ILE 191 Cb 0.96 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 1u8c h ILE 191 CO -0.00 0.43 -0.82 -0.37 0.00 0.00 0.00 178.15 177.39 1u8c h VAL 192 N 0.53 0.50 0.13 1.67 -1.51 -0.81 -3.28 116.25 113.50 1u8c h VAL 192 Ca 0.08 -1.81 -0.29 0.00 -1.23 0.00 0.00 66.70 63.45 1u8c h VAL 192 Cb 0.74 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 32.00 1u8c h VAL 192 CO 0.06 0.29 -1.39 0.77 -1.23 0.00 0.00 177.57 176.06 1u8c h SER 193 N 0.00 0.44 -0.46 4.19 4.64 -0.76 -3.29 113.55 118.30 1u8c h SER 193 Ca -0.06 -0.52 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 1u8c h SER 193 Cb 1.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u8c h SER 193 CO 0.04 1.42 0.00 0.29 -0.87 0.00 0.00 176.83 177.71 1u8c n LYS 194 N -3.51 2.40 -1.00 4.77 4.76 -0.27 -4.95 118.16 120.36 1u8c n LYS 194 Ca -0.13 -1.80 -0.30 0.00 -2.87 0.00 0.00 58.31 53.22 1u8c n LYS 194 Cb 1.04 -1.50 0.16 0.00 -1.84 0.00 0.00 35.03 32.89 1u8c n LYS 194 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1u8c s TYR 195 N -1.51 2.04 -0.30 2.13 6.04 -1.24 -4.87 117.35 119.65 1u8c s TYR 195 Ca 0.33 1.37 -0.17 0.00 0.04 0.00 0.00 57.07 58.64 1u8c s TYR 195 Cb 0.19 -3.17 0.18 0.00 -1.04 0.00 0.00 41.96 38.11 1u8c s TYR 195 CO 0.20 -2.68 1.20 0.34 -1.54 0.00 0.00 175.55 173.07 1u8c s ASP 196 N -3.12 -0.04 0.57 4.32 3.68 -1.26 -5.03 116.67 115.80 1u8c s ASP 196 Ca 0.65 0.01 0.42 0.00 2.13 0.00 0.00 52.55 55.75 1u8c s ASP 196 Cb -0.20 1.03 1.47 0.00 -1.45 0.00 0.00 42.92 43.76 1u8c s ASP 196 CO 0.58 -0.01 1.51 -0.65 0.13 0.00 0.00 175.17 176.73 1u8c h PRO 197 N 7.30 0.00 -0.64 4.34 0.11 -2.00 0.24 132.00 141.35 1u8c h PRO 197 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1u8c h PRO 197 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1u8c h PRO 197 CO -0.20 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.68 1u8c n ASN 198 N -3.72 4.57 -3.51 -2.05 3.02 -1.26 -4.70 115.26 107.60 1u8c n ASN 198 Ca 0.36 -2.55 -0.29 0.00 -0.03 0.00 0.00 54.58 52.07 1u8c n ASN 198 Cb 1.80 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 40.26 1u8c n ASN 198 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u8c s VAL 199 N -2.08 0.34 0.64 2.41 1.01 0.86 -4.96 120.40 118.61 1u8c s VAL 199 Ca 0.46 -1.79 0.28 0.00 0.00 0.00 0.00 61.98 60.93 1u8c s VAL 199 Cb 0.32 -1.26 0.31 0.00 0.00 0.00 0.00 36.38 35.75 1u8c s VAL 199 CO 0.19 -0.96 1.85 1.88 0.00 0.00 0.00 175.10 178.06 1u8c h TYR 200 N 7.06 0.00 -2.98 5.22 0.05 -1.84 -3.30 116.97 121.18 1u8c h TYR 200 Ca 0.03 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.22 1u8c h TYR 200 Cb 0.97 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.31 1u8c h TYR 200 CO 0.44 0.00 -0.76 -1.12 -1.05 0.00 0.00 178.16 175.67 1u8c s SER 201 N -4.60 3.67 0.11 3.88 0.01 -1.26 -4.80 113.70 110.72 1u8c s SER 201 Ca -0.03 -2.24 -0.23 0.00 1.31 0.00 0.00 55.95 54.75 1u8c s SER 201 Cb 0.10 -0.88 -0.07 0.00 0.21 0.00 0.00 66.02 65.38 1u8c s SER 201 CO 0.35 -0.32 0.71 -0.63 0.41 0.00 0.00 173.24 173.76 1u8c s ILE 202 N 0.87 4.56 -0.52 1.44 1.01 -1.24 -5.00 121.20 122.33 1u8c s ILE 202 Ca 0.15 1.53 -0.16 0.00 0.00 0.00 0.00 60.65 62.17 1u8c s ILE 202 Cb -0.22 -4.06 0.10 0.00 0.01 0.00 0.00 42.46 38.30 1u8c s ILE 202 CO -0.08 0.50 0.48 -0.54 0.00 0.00 0.00 174.94 175.30 1u8c s LYS 203 N -0.88 3.00 0.35 2.79 3.01 -1.26 -4.97 119.74 121.77 1u8c s LYS 203 Ca 0.34 -1.51 -0.21 0.00 -1.01 0.00 0.00 55.97 53.58 1u8c s LYS 203 Cb -0.21 -4.23 -0.10 0.00 -1.01 0.00 0.00 37.83 32.28 1u8c s LYS 203 CO 0.23 -1.23 0.87 0.71 0.51 0.00 0.00 175.35 176.44 1u8c s TYR 204 N 1.74 3.46 0.00 3.18 1.51 -1.26 -5.04 117.35 120.94 1u8c s TYR 204 Ca 0.05 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 1u8c s TYR 204 Cb -0.27 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 38.82 1u8c s TYR 204 CO 0.05 0.08 0.10 0.09 -1.11 0.00 0.00 175.55 174.75 1u8c n ASN 205 N -0.11 0.00 -4.53 2.29 5.03 -1.26 -4.34 115.26 112.35 1u8c n ASN 205 Ca 0.04 0.10 -0.43 0.00 0.87 0.00 0.00 54.58 55.15 1u8c n ASN 205 Cb 0.52 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 1u8c n ASN 205 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1u8c s ASN 206 N -1.77 6.81 -0.19 6.41 -0.87 -1.26 -4.94 114.94 119.14 1u8c s ASN 206 Ca 0.00 -2.36 -0.04 0.00 -1.57 0.00 0.00 52.86 48.89 1u8c s ASN 206 Cb 0.00 -2.50 -0.02 0.00 -0.02 0.00 0.00 41.25 38.70 1u8c s ASN 206 CO 0.00 -1.10 -0.02 -1.58 -2.57 0.00 0.00 177.10 171.83 1u8c s GLN 207 N 3.43 3.59 0.07 -0.60 0.74 -1.26 -4.30 119.66 121.32 1u8c s GLN 207 Ca 0.47 -0.54 -0.11 0.00 0.05 0.00 0.00 55.36 55.22 1u8c s GLN 207 Cb 0.00 -3.01 -0.06 0.00 1.10 0.00 0.00 33.01 31.05 1u8c s GLN 207 CO 0.00 0.05 0.42 -0.51 -0.55 0.00 0.00 175.29 174.70 1u8c s LEU 208 N 0.88 4.37 -0.19 3.68 1.43 0.13 -4.93 118.68 124.04 1u8c s LEU 208 Ca 0.00 0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 53.67 1u8c s LEU 208 Cb -0.14 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.21 1u8c s LEU 208 CO 0.02 0.19 0.81 0.00 0.23 0.00 0.00 176.35 177.59 1u8c s ALA 209 N -1.36 -1.84 0.71 4.21 0.00 -1.26 -0.08 121.76 122.15 1u8c s ALA 209 Ca 0.32 1.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.89 1u8c s ALA 209 Cb -0.14 -0.80 0.02 0.00 0.00 0.00 0.00 23.12 22.19 1u8c s ALA 209 CO 0.17 -0.32 1.09 0.95 0.00 0.00 0.00 175.76 177.65 1u8c s THR 210 N -0.34 3.60 0.35 0.00 -4.23 -0.93 -5.02 115.64 109.07 1u8c s THR 210 Ca -0.03 0.52 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1u8c s THR 210 Cb -0.03 -3.46 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 1u8c s THR 210 CO 0.02 -0.68 0.09 -0.13 -0.54 0.00 0.00 174.62 173.39 1u8c s ARG 211 N -5.29 2.23 0.83 3.99 3.00 -1.26 -4.86 118.95 117.60 1u8c s ARG 211 Ca 0.58 -1.66 -0.10 0.00 0.00 0.00 0.00 55.73 54.55 1u8c s ARG 211 Cb -0.12 -2.05 0.09 0.00 0.00 0.00 0.00 34.95 32.87 1u8c s ARG 211 CO 0.53 0.10 1.12 -0.08 0.00 0.00 0.00 175.30 176.96 1u8c s THR 212 N -2.48 2.78 0.10 0.02 -1.32 -1.26 -5.04 115.64 108.43 1u8c s THR 212 Ca 0.37 0.26 0.02 0.00 -1.21 0.00 0.00 61.69 61.12 1u8c s THR 212 Cb -0.01 -2.55 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1u8c s THR 212 CO 0.21 -0.33 0.06 0.00 -2.21 0.00 0.00 174.62 172.35 1u8c n ALA 213 N -3.80 0.17 -0.81 11.08 0.00 -1.26 -5.13 120.51 120.76 1u8c n ALA 213 Ca 0.10 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1u8c n ALA 213 Cb 0.53 0.39 0.13 0.00 0.00 0.00 0.00 19.45 20.50 1u8c n ALA 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1u8c n GLN 214 N -0.20 -0.28 0.02 0.00 3.00 -1.26 -4.90 117.38 113.77 1u8c n GLN 214 Ca 0.00 -0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 56.94 1u8c n GLN 214 Cb 0.16 -2.06 0.23 0.00 0.00 0.00 0.00 30.24 28.57 1u8c n GLN 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u8c h ALA 215 N -1.55 1.17 -1.08 -1.58 0.00 -2.00 -3.12 119.26 111.11 1u8c h ALA 215 Ca -0.44 -0.31 0.43 0.00 0.00 0.00 0.00 54.91 54.59 1u8c h ALA 215 Cb 1.28 -0.12 -0.17 0.00 0.00 0.00 0.00 17.79 18.78 1u8c h ALA 215 CO 0.38 0.53 0.62 -0.84 0.00 0.00 0.00 179.25 179.93 1u8c h ILE 216 N 0.42 0.02 0.00 0.00 3.07 -2.03 0.76 117.51 119.76 1u8c h ILE 216 Ca 0.07 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.47 1u8c h ILE 216 Cb 0.59 -0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.14 1u8c h ILE 216 CO 0.04 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.64 1u8c n PHE 217 N -5.14 0.00 -1.47 0.16 3.72 -1.18 -4.90 117.46 108.66 1u8c n PHE 217 Ca 0.38 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.34 1u8c n PHE 217 Cb 1.33 -0.48 -0.01 0.00 -0.94 0.00 0.00 39.48 39.38 1u8c n PHE 217 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1u8c n ASP 218 N -1.48 -0.51 -2.31 4.37 10.43 0.27 -2.68 116.55 124.64 1u8c n ASP 218 Ca 0.06 1.03 -0.15 0.00 2.57 0.00 0.00 54.79 58.30 1u8c n ASP 218 Cb 0.27 -1.11 0.04 0.00 1.84 0.00 0.00 41.12 42.16 1u8c n ASP 218 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1u8c n ASP 219 N 1.50 -4.78 -0.00 -2.24 8.00 -0.19 -4.82 116.55 114.01 1u8c n ASP 219 Ca 0.12 -0.27 -0.18 0.00 0.71 0.00 0.00 54.79 55.18 1u8c n ASP 219 Cb 0.34 -3.52 -0.14 0.00 -0.02 0.00 0.00 41.12 37.78 1u8c n ASP 219 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1u8c n SER 220 N -1.29 1.77 -0.44 -2.24 7.64 -0.29 -4.62 113.62 114.15 1u8c n SER 220 Ca -0.04 0.27 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1u8c n SER 220 Cb 0.56 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1u8c n SER 220 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1u8c n TYR 221 N -3.36 0.00 -1.95 1.43 0.53 -0.12 -1.34 117.16 112.34 1u8c n TYR 221 Ca -0.28 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.19 1u8c n TYR 221 Cb 1.05 -0.88 -0.02 0.00 -1.03 0.00 0.00 39.34 38.46 1u8c n TYR 221 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 1u8c s LEU 222 N -0.88 4.38 0.00 7.72 2.96 0.76 -1.86 118.68 131.76 1u8c s LEU 222 Ca 0.00 2.73 0.00 0.00 -0.22 0.00 0.00 54.13 56.64 1u8c s LEU 222 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1u8c s LEU 222 CO 0.00 -0.76 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 1u8c n GLY 223 N 2.32 0.28 0.37 7.98 0.00 -1.24 -1.99 105.19 112.91 1u8c n GLY 223 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 1u8c n GLY 223 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u8c h TYR 224 N 0.00 0.91 -4.20 1.61 3.20 -1.42 -3.37 116.97 113.70 1u8c h TYR 224 Ca 0.00 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.75 1u8c h TYR 224 Cb 0.00 -0.27 -0.14 0.00 1.54 0.00 0.00 36.73 37.86 1u8c h TYR 224 CO 0.00 0.17 -0.52 -1.54 -1.64 0.00 0.00 178.16 174.63 1u8c s SER 225 N -5.40 0.21 -0.27 -2.11 1.04 -1.25 -4.64 113.70 101.28 1u8c s SER 225 Ca -0.10 -1.06 -0.25 0.00 0.48 0.00 0.00 55.95 55.02 1u8c s SER 225 Cb 0.25 0.35 0.10 0.00 0.10 0.00 0.00 66.02 66.82 1u8c s SER 225 CO 0.80 -0.78 0.92 0.54 0.98 0.00 0.00 173.24 175.69 1u8c s VAL 226 N -4.01 0.00 0.10 5.02 0.11 -1.26 -2.59 120.40 117.77 1u8c s VAL 226 Ca 0.20 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.16 1u8c s VAL 226 Cb 0.06 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1u8c s VAL 226 CO 0.00 0.00 0.23 0.00 -3.33 0.00 0.00 175.10 172.00 1u8c s ALA 227 N 0.25 -0.27 0.22 1.54 0.00 0.12 -4.81 121.76 118.81 1u8c s ALA 227 Ca 0.02 -0.59 0.08 0.00 0.00 0.00 0.00 51.96 51.47 1u8c s ALA 227 Cb -0.05 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1u8c s ALA 227 CO -0.03 -0.54 -0.15 0.14 0.00 0.00 0.00 175.76 175.18 1u8c s VAL 228 N -3.87 1.82 0.00 0.00 -7.23 -1.26 -0.57 120.40 109.28 1u8c s VAL 228 Ca 0.06 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.00 1u8c s VAL 228 Cb 0.04 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.89 1u8c s VAL 228 CO -0.10 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 1u8c n GLY 229 N -0.41 2.03 3.74 2.32 0.00 -0.99 -4.62 105.19 107.26 1u8c n GLY 229 Ca -0.08 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 1u8c n GLY 229 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u8c s ASP 230 N 0.00 7.14 -0.05 1.61 3.68 -1.26 0.25 116.67 128.04 1u8c s ASP 230 Ca 0.00 1.37 0.08 0.00 2.13 0.00 0.00 52.55 56.12 1u8c s ASP 230 Cb 0.00 -2.45 0.12 0.00 -1.45 0.00 0.00 42.92 39.14 1u8c s ASP 230 CO 0.00 -0.00 1.03 0.49 0.13 0.00 0.00 175.17 176.81 1u8c n PHE 231 N 2.99 0.00 -3.78 -5.34 3.72 -1.26 -4.48 117.46 109.31 1u8c n PHE 231 Ca -0.03 -0.43 -0.11 0.00 -0.05 0.00 0.00 57.45 56.84 1u8c n PHE 231 Cb 0.51 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 1u8c n PHE 231 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1u8c s ASN 232 N -1.68 -0.06 0.00 4.37 2.20 -1.26 -5.03 114.94 113.48 1u8c s ASN 232 Ca 0.13 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 51.72 1u8c s ASN 232 Cb 0.11 0.36 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 1u8c s ASN 232 CO 0.01 -0.66 0.00 0.61 -2.94 0.00 0.00 177.10 174.13 1u8c n GLY 233 N 0.37 0.00 2.23 0.45 0.00 -1.26 -4.54 105.19 102.44 1u8c n GLY 233 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.79 1u8c n GLY 233 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u8c n ASP 234 N 0.00 -1.34 0.00 1.61 8.00 -1.26 -5.16 116.55 118.40 1u8c n ASP 234 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1u8c n ASP 234 Cb 0.00 2.23 0.00 0.00 -0.02 0.00 0.00 41.12 43.33 1u8c n ASP 234 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u8c n GLY 235 N -0.32 0.21 3.94 0.44 0.00 -1.26 -4.98 105.19 103.22 1u8c n GLY 235 Ca -0.05 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.72 1u8c n GLY 235 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u8c s ILE 236 N 0.00 5.25 0.38 -0.61 1.10 -1.26 -4.94 121.20 121.12 1u8c s ILE 236 Ca 0.00 -0.61 -0.24 0.00 -0.51 0.00 0.00 60.65 59.29 1u8c s ILE 236 Cb 0.00 -3.77 -0.13 0.00 0.15 0.00 0.00 42.46 38.71 1u8c s ILE 236 CO 0.00 -0.20 0.72 0.47 -2.11 0.00 0.00 174.94 173.82 1u8c n ASP 237 N -0.85 -0.08 -4.95 4.50 8.00 -1.26 -4.53 116.55 117.38 1u8c n ASP 237 Ca -0.06 1.00 -0.20 0.00 0.71 0.00 0.00 54.79 56.23 1u8c n ASP 237 Cb 0.55 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1u8c n ASP 237 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1u8c s ASP 238 N -0.85 5.20 -0.07 -2.24 1.01 0.69 -4.03 116.67 116.39 1u8c s ASP 238 Ca 0.63 -0.72 -0.13 0.00 0.71 0.00 0.00 52.55 53.03 1u8c s ASP 238 Cb -0.63 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 42.93 1u8c s ASP 238 CO 0.58 -0.87 0.34 -0.36 0.21 0.00 0.00 175.17 175.07 1u8c s PHE 239 N -2.51 3.62 -0.12 4.23 2.99 0.37 -2.34 117.98 124.23 1u8c s PHE 239 Ca 0.51 0.80 0.02 0.00 0.00 0.00 0.00 56.93 58.26 1u8c s PHE 239 Cb -0.06 -2.26 0.01 0.00 0.00 0.00 0.00 43.02 40.72 1u8c s PHE 239 CO 0.31 0.52 -0.17 0.08 -0.00 0.00 0.00 175.22 175.96 1u8c s VAL 240 N -0.55 1.69 -0.01 -0.44 1.01 0.26 0.26 120.40 122.62 1u8c s VAL 240 Ca 0.20 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1u8c s VAL 240 Cb -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1u8c s VAL 240 CO 0.09 0.48 0.00 -0.55 0.00 0.00 0.00 175.10 175.12 1u8c s SER 241 N 0.95 0.06 0.17 3.32 0.15 0.14 0.15 113.70 118.65 1u8c s SER 241 Ca -0.06 0.00 -0.14 0.00 0.70 0.00 0.00 55.95 56.45 1u8c s SER 241 Cb -0.15 -0.03 -0.07 0.00 -1.71 0.00 0.00 66.02 64.06 1u8c s SER 241 CO -0.02 -0.03 0.58 -0.83 1.20 0.00 0.00 173.24 174.14 1u8c s GLY 242 N 0.26 2.45 -0.56 9.45 0.00 -1.07 0.24 107.32 118.08 1u8c s GLY 242 Ca -0.02 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.64 1u8c s GLY 242 CO -0.01 0.17 0.42 0.14 0.00 0.00 0.00 173.10 173.82 1u8c s VAL 243 N -1.53 1.68 0.08 1.40 1.01 0.22 -3.56 120.40 119.71 1u8c s VAL 243 Ca 0.40 -3.50 -0.16 0.00 0.00 0.00 0.00 61.98 58.72 1u8c s VAL 243 Cb -0.15 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1u8c s VAL 243 CO 0.19 -1.11 1.26 -2.65 0.00 0.00 0.00 175.10 172.79 1u8c n PRO 244 N 2.39 -0.23 0.00 2.72 -0.02 -1.18 -0.23 135.00 138.46 1u8c n PRO 244 Ca 0.24 1.24 0.09 0.00 -2.02 0.00 0.00 63.50 63.05 1u8c n PRO 244 Cb 0.41 -1.84 0.50 0.00 -0.02 0.00 0.00 33.50 32.55 1u8c n PRO 244 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u8c n ARG 245 N -4.20 0.40 -0.86 -0.52 5.12 -0.45 -3.18 116.66 112.97 1u8c n ARG 245 Ca 0.01 0.07 -0.34 0.00 -1.93 0.00 0.00 57.85 55.66 1u8c n ARG 245 Cb 0.14 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.03 1u8c n ARG 245 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1u8c n ALA 246 N -1.16 -3.67 -0.95 7.54 0.00 0.68 -3.29 120.51 119.66 1u8c n ALA 246 Ca 0.11 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1u8c n ALA 246 Cb 0.11 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1u8c n ALA 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u8c n ALA 247 N -3.25 0.00 -1.55 0.00 0.00 -1.26 -0.84 120.51 113.61 1u8c n ALA 247 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 1u8c n ALA 247 Cb 0.55 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.06 1u8c n ALA 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u8c n ARG 248 N 14.00 2.75 -2.16 0.00 3.00 -1.26 -4.64 116.66 128.34 1u8c n ARG 248 Ca 0.00 -3.41 -0.07 0.00 -0.01 0.00 0.00 57.85 54.36 1u8c n ARG 248 Cb 0.00 -2.28 -0.00 0.00 0.00 0.00 0.00 32.46 30.17 1u8c n ARG 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1u8c n THR 249 N -0.79 -0.37 0.06 0.55 -2.24 -0.44 -4.73 114.28 106.32 1u8c n THR 249 Ca 0.59 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 62.34 1u8c n THR 249 Cb 0.54 -1.40 -0.08 0.00 -2.10 0.00 0.00 70.33 67.29 1u8c n THR 249 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1u8c h LEU 250 N -0.03 0.00 -0.22 3.22 3.38 -1.60 -0.70 115.31 119.36 1u8c h LEU 250 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1u8c h LEU 250 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1u8c h LEU 250 CO 0.20 0.78 -0.19 0.61 0.09 0.00 0.00 178.44 179.94 1u8c n GLY 251 N 1.36 -3.49 3.41 0.83 0.00 -0.02 -2.90 105.19 104.39 1u8c n GLY 251 Ca -0.04 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 1u8c n GLY 251 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u8c s MET 252 N -4.64 1.58 -0.09 1.61 -1.94 -0.78 0.13 119.30 115.16 1u8c s MET 252 Ca 0.00 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 52.12 1u8c s MET 252 Cb 0.00 -0.74 0.02 0.00 2.01 0.00 0.00 34.83 36.12 1u8c s MET 252 CO 0.00 -0.19 -0.09 0.08 -0.01 0.00 0.00 175.02 174.81 1u8c s VAL 253 N -3.39 1.01 -0.08 -6.03 1.01 0.36 0.73 120.40 114.02 1u8c s VAL 253 Ca 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1u8c s VAL 253 Cb 0.08 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1u8c s VAL 253 CO 0.15 0.35 0.12 -0.31 0.00 0.00 0.00 175.10 175.40 1u8c s TYR 254 N 1.34 3.47 -0.30 5.22 2.02 0.14 -1.24 117.35 128.00 1u8c s TYR 254 Ca -0.02 0.39 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1u8c s TYR 254 Cb -0.14 -1.86 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1u8c s TYR 254 CO -0.04 0.65 0.01 0.42 -1.57 0.00 0.00 175.55 175.02 1u8c s ILE 255 N -1.08 1.81 0.20 2.71 1.01 -0.84 0.29 121.20 125.29 1u8c s ILE 255 Ca 0.18 -1.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.01 1u8c s ILE 255 Cb -0.12 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 1u8c s ILE 255 CO 0.08 -0.42 0.42 -0.31 0.00 0.00 0.00 174.94 174.71 1u8c s TYR 256 N 1.19 3.48 0.05 3.97 1.51 0.72 -1.72 117.35 126.54 1u8c s TYR 256 Ca 0.04 0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 56.25 1u8c s TYR 256 Cb -0.19 -1.94 -0.05 0.00 -0.11 0.00 0.00 41.96 39.66 1u8c s TYR 256 CO -0.10 0.36 1.22 0.34 -1.11 0.00 0.00 175.55 176.25 1u8c s ASP 257 N -2.95 7.05 0.00 2.29 2.15 0.11 0.14 116.67 125.45 1u8c s ASP 257 Ca 0.40 2.02 0.19 0.00 0.43 0.00 0.00 52.55 55.59 1u8c s ASP 257 Cb -0.11 -2.58 0.98 0.00 -0.30 0.00 0.00 42.92 40.92 1u8c s ASP 257 CO 0.28 -0.51 1.56 0.61 -0.17 0.00 0.00 175.17 176.94 1u8c n GLY 258 N 3.27 -0.83 0.13 2.66 0.00 -1.26 -0.25 105.19 108.91 1u8c n GLY 258 Ca 0.10 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1u8c n GLY 258 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u8c n LYS 259 N -1.22 0.61 0.00 1.61 3.00 -1.26 -4.68 118.16 116.22 1u8c n LYS 259 Ca 0.10 0.32 0.04 0.00 -0.00 0.00 0.00 58.31 58.77 1u8c n LYS 259 Cb 0.13 -1.58 -0.02 0.00 0.00 0.00 0.00 35.03 33.56 1u8c n LYS 259 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1u8c n ASN 260 N -4.04 0.73 -1.34 3.14 0.23 -1.24 -5.00 115.26 107.73 1u8c n ASN 260 Ca -0.45 -0.86 -0.11 0.00 -0.53 0.00 0.00 54.58 52.62 1u8c n ASN 260 Cb 0.87 0.71 -0.00 0.00 -2.08 0.00 0.00 39.78 39.28 1u8c n ASN 260 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1u8c n MET 261 N -0.71 -1.06 -3.57 -3.83 0.00 0.66 -4.91 117.12 103.70 1u8c n MET 261 Ca 0.02 0.55 -0.28 0.00 -0.00 0.00 0.00 57.70 57.99 1u8c n MET 261 Cb 0.14 -4.67 -0.03 0.00 0.00 0.00 0.00 33.22 28.66 1u8c n MET 261 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1u8c s SER 262 N -2.52 6.41 0.37 6.12 1.04 -1.25 -4.71 113.70 119.18 1u8c s SER 262 Ca 0.01 0.52 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 1u8c s SER 262 Cb -0.01 -2.06 -0.10 0.00 0.10 0.00 0.00 66.02 63.96 1u8c s SER 262 CO 0.02 -0.09 1.33 -0.55 0.98 0.00 0.00 173.24 174.93 1u8c s SER 263 N -3.11 6.51 0.00 7.02 0.15 -1.26 0.04 113.70 123.05 1u8c s SER 263 Ca 0.40 2.73 0.00 0.00 0.70 0.00 0.00 55.95 59.78 1u8c s SER 263 Cb -0.11 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1u8c s SER 263 CO 0.29 -0.72 0.00 0.18 1.20 0.00 0.00 173.24 174.19 1u8c n LEU 264 N 0.46 0.30 -3.90 3.45 4.77 -0.70 -4.80 117.00 116.57 1u8c n LEU 264 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 1u8c n LEU 264 Cb 0.42 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.44 1u8c n LEU 264 CO 0.58 0.02 -0.02 -0.31 -1.33 0.00 0.00 177.39 176.34 1u8c s TYR 265 N -1.99 0.28 0.08 -1.77 2.02 -1.10 -5.03 117.35 109.83 1u8c s TYR 265 Ca 0.00 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 56.06 1u8c s TYR 265 Cb 0.00 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 1u8c s TYR 265 CO 0.00 -0.68 -0.05 -0.80 -1.57 0.00 0.00 175.55 172.44 1u8c s ASN 266 N -2.93 0.93 0.00 2.29 0.01 -1.26 -1.99 114.94 111.99 1u8c s ASN 266 Ca 0.13 -0.99 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 1u8c s ASN 266 Cb 0.03 0.12 -0.00 0.00 0.41 0.00 0.00 41.25 41.82 1u8c s ASN 266 CO -0.04 -0.50 -0.01 -0.36 -1.51 0.00 0.00 177.10 174.69 1u8c s PHE 267 N -3.62 0.04 0.20 2.20 0.40 -0.37 -4.94 117.98 111.89 1u8c s PHE 267 Ca 0.09 -0.02 0.10 0.00 -0.60 0.00 0.00 56.93 56.50 1u8c s PHE 267 Cb 0.05 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.51 1u8c s PHE 267 CO -0.06 -0.00 -0.19 0.99 0.70 0.00 0.00 175.22 176.65 1u8c s THR 268 N -0.04 2.04 0.47 0.64 2.01 -1.26 -0.49 115.64 119.01 1u8c s THR 268 Ca -0.00 -2.08 -0.07 0.00 0.31 0.00 0.00 61.69 59.85 1u8c s THR 268 Cb -0.00 -2.02 0.11 0.00 0.01 0.00 0.00 72.50 70.60 1u8c s THR 268 CO -0.00 -0.33 0.64 0.61 -0.69 0.00 0.00 174.62 174.84 1u8c n GLY 269 N 0.02 -1.13 0.00 4.40 0.00 0.12 -4.95 105.19 103.65 1u8c n GLY 269 Ca -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1u8c n GLY 269 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u8c n GLU 270 N -2.33 2.23 -3.86 1.61 -0.58 -1.26 -4.95 120.64 111.50 1u8c n GLU 270 Ca 0.08 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.54 1u8c n GLU 270 Cb 0.28 -0.83 -0.16 0.00 -0.57 0.00 0.00 31.44 30.16 1u8c n GLU 270 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1u8c s GLN 271 N -1.40 1.24 0.80 3.49 0.74 -1.26 -5.10 119.66 118.17 1u8c s GLN 271 Ca 0.00 -0.59 -0.16 0.00 0.05 0.00 0.00 55.36 54.66 1u8c s GLN 271 Cb 0.00 -2.15 -0.09 0.00 1.10 0.00 0.00 33.01 31.87 1u8c s GLN 271 CO 0.00 -0.53 -0.07 -1.33 -0.55 0.00 0.00 175.29 172.82 1u8c n MET 272 N 4.88 0.05 -0.48 1.67 2.81 -1.26 -2.22 117.12 122.57 1u8c n MET 272 Ca -0.11 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1u8c n MET 272 Cb 0.47 -1.38 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 1u8c n MET 272 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u8c n ALA 273 N -2.41 0.00 0.30 3.04 0.00 -0.27 -4.78 120.51 116.40 1u8c n ALA 273 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 1u8c n ALA 273 Cb 0.52 -0.92 0.75 0.00 0.00 0.00 0.00 19.45 19.80 1u8c n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u8c h ALA 274 N 0.00 1.00 -3.49 0.00 0.00 -1.65 -3.45 119.26 111.67 1u8c h ALA 274 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1u8c h ALA 274 Cb 0.08 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.94 1u8c h ALA 274 CO 0.00 0.00 -0.33 0.98 0.00 0.00 0.00 179.25 179.90 1u8c n TYR 275 N -2.90 -1.07 -1.74 0.00 9.36 -1.26 -1.32 117.16 118.24 1u8c n TYR 275 Ca 0.00 0.43 -0.41 0.00 3.32 0.00 0.00 57.90 61.24 1u8c n TYR 275 Cb 0.23 -3.21 0.01 0.00 -0.63 0.00 0.00 39.34 35.75 1u8c n TYR 275 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1u8c n PHE 276 N -2.75 2.51 0.00 2.98 7.35 -1.26 -1.92 117.46 124.36 1u8c n PHE 276 Ca -0.09 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.07 1u8c n PHE 276 Cb 0.56 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 37.95 1u8c n PHE 276 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8c n GLY 277 N 0.66 3.22 0.54 7.13 0.00 -1.18 -3.08 105.19 112.48 1u8c n GLY 277 Ca 0.05 0.00 0.42 0.00 0.00 0.00 0.00 46.02 46.49 1u8c n GLY 277 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u8c n PHE 278 N -1.48 0.21 -3.71 1.61 7.35 -0.81 -4.36 117.46 116.27 1u8c n PHE 278 Ca 0.00 0.21 -0.12 0.00 -0.76 0.00 0.00 57.45 56.78 1u8c n PHE 278 Cb 0.00 -0.64 -0.07 0.00 0.35 0.00 0.00 39.48 39.12 1u8c n PHE 278 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1u8c s SER 279 N -4.03 -0.20 0.13 -2.13 1.04 -1.24 -4.65 113.70 102.62 1u8c s SER 279 Ca -0.05 -0.07 -0.10 0.00 0.48 0.00 0.00 55.95 56.21 1u8c s SER 279 Cb 0.24 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.75 1u8c s SER 279 CO 0.75 -0.62 0.26 0.68 0.98 0.00 0.00 173.24 175.29 1u8c s VAL 280 N -2.38 0.10 -0.19 5.02 -7.23 -1.26 -1.58 120.40 112.89 1u8c s VAL 280 Ca -0.06 -1.22 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 1u8c s VAL 280 Cb -0.01 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.43 1u8c s VAL 280 CO -0.02 -0.45 0.66 0.00 -0.31 0.00 0.00 175.10 174.98 1u8c s ALA 281 N -3.91 -1.65 -0.10 1.32 0.00 0.23 -4.76 121.76 112.90 1u8c s ALA 281 Ca 0.11 1.67 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1u8c s ALA 281 Cb 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1u8c s ALA 281 CO -0.06 -0.33 -0.22 0.00 0.00 0.00 0.00 175.76 175.15 1u8c s ALA 282 N -0.13 2.07 -0.25 0.00 0.00 -1.26 -0.18 121.76 122.01 1u8c s ALA 282 Ca -0.04 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1u8c s ALA 282 Cb -0.03 -0.80 0.17 0.00 0.00 0.00 0.00 23.12 22.45 1u8c s ALA 282 CO 0.04 0.23 1.27 -0.08 0.00 0.00 0.00 175.76 177.21 1u8c s THR 283 N 0.44 0.00 -0.45 0.00 -1.32 -0.56 -4.92 115.64 108.83 1u8c s THR 283 Ca -0.17 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.10 1u8c s THR 283 Cb -0.17 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1u8c s THR 283 CO 0.07 0.00 0.65 -0.62 -2.21 0.00 0.00 174.62 172.51 1u8c s ASP 284 N -1.31 6.31 0.13 8.08 2.15 -1.26 -0.87 116.67 129.90 1u8c s ASP 284 Ca 0.07 -0.41 0.08 0.00 0.43 0.00 0.00 52.55 52.72 1u8c s ASP 284 Cb -0.01 -2.32 -0.19 0.00 -0.30 0.00 0.00 42.92 40.11 1u8c s ASP 284 CO -0.05 -0.81 1.28 -0.29 -0.17 0.00 0.00 175.17 175.13 1u8c h ILE 285 N 5.88 1.62 -0.39 4.11 6.09 -1.85 -3.35 117.51 129.62 1u8c h ILE 285 Ca -0.26 -3.30 -0.24 0.00 -1.37 0.00 0.00 64.86 59.69 1u8c h ILE 285 Cb 1.09 2.80 -0.15 0.00 0.47 0.00 0.00 36.82 41.03 1u8c h ILE 285 CO 0.91 0.92 -0.24 -0.46 -3.07 0.00 0.00 178.15 176.21 1u8c n ASN 286 N -3.33 3.01 -3.95 2.19 6.94 -1.26 -3.39 115.26 115.47 1u8c n ASN 286 Ca -0.00 -3.82 -0.31 0.00 -0.02 0.00 0.00 54.58 50.44 1u8c n ASN 286 Cb 0.92 -0.59 -0.06 0.00 -2.36 0.00 0.00 39.78 37.70 1u8c n ASN 286 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u8c n GLY 287 N -1.05 -0.43 1.58 4.83 0.00 -1.26 -4.53 105.19 104.34 1u8c n GLY 287 Ca 0.34 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1u8c n GLY 287 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u8c n ASP 288 N -2.17 3.18 -0.11 1.61 5.75 -1.26 -4.92 116.55 118.63 1u8c n ASP 288 Ca 0.09 -3.63 -0.01 0.00 -0.01 0.00 0.00 54.79 51.22 1u8c n ASP 288 Cb 0.46 -0.71 -0.00 0.00 -1.03 0.00 0.00 41.12 39.84 1u8c n ASP 288 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1u8c n ASP 289 N -1.02 -2.87 -4.43 -1.12 8.00 -1.26 -4.89 116.55 108.96 1u8c n ASP 289 Ca 0.42 0.02 -0.34 0.00 0.71 0.00 0.00 54.79 55.60 1u8c n ASP 289 Cb 1.28 -2.00 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 1u8c n ASP 289 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1u8c s TYR 290 N -0.60 3.00 0.71 1.24 2.02 -1.26 -5.09 117.35 117.38 1u8c s TYR 290 Ca 0.00 -0.50 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 1u8c s TYR 290 Cb 0.00 -2.03 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1u8c s TYR 290 CO 0.00 -0.23 1.24 0.00 -1.57 0.00 0.00 175.55 174.99 1u8c n ALA 291 N 4.07 0.61 -2.61 3.71 0.00 -1.26 -4.59 120.51 120.45 1u8c n ALA 291 Ca -0.17 -0.14 -0.25 0.00 0.00 0.00 0.00 53.44 52.88 1u8c n ALA 291 Cb 0.52 -2.28 -0.15 0.00 0.00 0.00 0.00 19.45 17.53 1u8c n ALA 291 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u8c s ASP 292 N -1.68 1.99 -0.09 0.00 -0.00 -0.05 -4.15 116.67 112.68 1u8c s ASP 292 Ca 0.79 -0.31 -0.13 0.00 -0.00 0.00 0.00 52.55 52.90 1u8c s ASP 292 Cb -0.34 -0.30 -0.05 0.00 -0.00 0.00 0.00 42.92 42.22 1u8c s ASP 292 CO 0.45 0.19 0.31 -0.69 -0.00 0.00 0.00 175.17 175.43 1u8c s VAL 293 N -0.28 5.25 -0.12 -1.27 1.01 -0.91 -1.50 120.40 122.58 1u8c s VAL 293 Ca 0.04 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1u8c s VAL 293 Cb -0.08 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1u8c s VAL 293 CO -0.00 0.50 -0.12 -0.36 0.00 0.00 0.00 175.10 175.12 1u8c s PHE 294 N -0.38 1.84 -0.07 5.22 0.40 0.75 -1.57 117.98 124.16 1u8c s PHE 294 Ca 0.19 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.63 1u8c s PHE 294 Cb -0.14 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 1u8c s PHE 294 CO 0.07 -0.55 -0.24 0.42 0.70 0.00 0.00 175.22 175.62 1u8c s ILE 295 N 1.40 2.02 -0.08 0.64 1.01 -0.39 -0.60 121.20 125.20 1u8c s ILE 295 Ca 0.01 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1u8c s ILE 295 Cb -0.13 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 1u8c s ILE 295 CO -0.07 0.56 -0.16 -0.83 0.00 0.00 0.00 174.94 174.44 1u8c s GLY 296 N 0.02 1.49 -0.63 6.18 0.00 -0.62 0.58 107.32 114.35 1u8c s GLY 296 Ca -0.09 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1u8c s GLY 296 CO 0.05 -0.54 0.40 0.00 0.00 0.00 0.00 173.10 173.01 1u8c s ALA 297 N -0.24 3.61 0.13 3.20 0.00 -0.27 -3.07 121.76 125.11 1u8c s ALA 297 Ca 0.01 -3.59 0.17 0.00 0.00 0.00 0.00 51.96 48.54 1u8c s ALA 297 Cb -0.13 -2.19 0.91 0.00 0.00 0.00 0.00 23.12 21.71 1u8c s ALA 297 CO 0.03 -2.07 1.44 -1.00 0.00 0.00 0.00 175.76 174.16 1u8c h PRO 298 N 5.91 0.00 0.00 0.00 0.13 -1.75 -2.43 132.00 133.87 1u8c h PRO 298 Ca 0.04 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1u8c h PRO 298 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.95 1u8c h PRO 298 CO 0.71 0.00 -0.09 1.28 -0.23 0.00 0.00 178.00 179.67 1u8c n LEU 299 N -2.23 2.31 -4.76 1.56 4.32 -0.43 -4.13 117.00 113.64 1u8c n LEU 299 Ca -0.01 -3.12 -0.41 0.00 -0.02 0.00 0.00 56.01 52.45 1u8c n LEU 299 Cb 0.32 -0.43 -0.01 0.00 -1.62 0.00 0.00 43.42 41.68 1u8c n LEU 299 CO 0.07 0.78 1.14 0.12 -1.22 0.00 0.00 177.39 178.29 1u8c s PHE 300 N -2.82 2.78 -0.19 -1.77 5.36 -0.94 -4.55 117.98 115.85 1u8c s PHE 300 Ca 0.32 1.08 -0.04 0.00 -0.96 0.00 0.00 56.93 57.32 1u8c s PHE 300 Cb 0.28 -3.95 -0.02 0.00 -0.34 0.00 0.00 43.02 38.99 1u8c s PHE 300 CO 0.01 -2.93 -0.02 -1.64 -1.46 0.00 0.00 175.22 169.18 1u8c s MET 301 N -1.31 3.58 0.00 10.12 -1.94 -1.26 -0.90 119.30 127.59 1u8c s MET 301 Ca 0.56 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 53.99 1u8c s MET 301 Cb -0.45 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.39 1u8c s MET 301 CO 0.54 0.05 0.00 -0.40 -0.01 0.00 0.00 175.02 175.20 1u8c n ASP 302 N 4.10 1.52 -4.34 3.03 3.85 0.22 -4.80 116.55 120.13 1u8c n ASP 302 Ca -0.17 -0.80 -0.27 0.00 -0.71 0.00 0.00 54.79 52.84 1u8c n ASP 302 Cb 0.52 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.16 1u8c n ASP 302 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1u8c s ARG 303 N -1.30 1.33 0.22 0.11 0.52 -1.26 0.12 118.95 118.69 1u8c s ARG 303 Ca 0.00 -1.24 -0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1u8c s ARG 303 Cb 0.00 -1.70 0.04 0.00 0.52 0.00 0.00 34.95 33.81 1u8c s ARG 303 CO 0.00 0.41 0.30 0.41 0.02 0.00 0.00 175.30 176.43 1u8c n GLY 304 N 1.09 0.37 0.27 -3.53 0.00 -0.67 -4.86 105.19 97.85 1u8c n GLY 304 Ca -0.18 -1.92 -0.01 0.00 0.00 0.00 0.00 46.02 43.91 1u8c n GLY 304 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1u8c h SER 305 N -0.23 0.57 0.00 1.61 0.02 -2.01 0.27 113.55 113.78 1u8c h SER 305 Ca -0.10 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1u8c h SER 305 Cb 0.34 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1u8c h SER 305 CO 0.10 0.36 0.00 -0.90 -1.14 0.00 0.00 176.83 175.24 1u8c n ASP 306 N -4.78 0.00 -0.67 3.07 3.85 -1.26 -4.84 116.55 111.92 1u8c n ASP 306 Ca 0.09 -1.50 -0.09 0.00 -0.71 0.00 0.00 54.79 52.58 1u8c n ASP 306 Cb 0.19 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.93 1u8c n ASP 306 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u8c n GLY 307 N 0.26 0.96 3.80 6.12 0.00 0.95 -4.99 105.19 112.28 1u8c n GLY 307 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1u8c n GLY 307 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8c s LYS 308 N -2.49 4.36 0.08 1.61 2.20 -1.26 -4.68 119.74 119.56 1u8c s LYS 308 Ca 0.00 0.94 -0.31 0.00 -0.36 0.00 0.00 55.97 56.24 1u8c s LYS 308 Cb 0.00 -3.17 -0.09 0.00 -1.51 0.00 0.00 37.83 33.06 1u8c s LYS 308 CO 0.00 0.56 1.66 -1.17 -0.36 0.00 0.00 175.35 176.04 1u8c s LEU 309 N -1.31 4.37 0.01 5.43 2.96 -1.26 -1.67 118.68 127.21 1u8c s LEU 309 Ca 0.35 2.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.79 1u8c s LEU 309 Cb -0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.91 1u8c s LEU 309 CO 0.22 -0.89 -0.05 0.00 -1.32 0.00 0.00 176.35 174.32 1u8c s GLN 310 N 2.50 0.36 -0.34 1.98 -2.07 0.33 -4.95 119.66 117.46 1u8c s GLN 310 Ca 0.74 -0.36 -0.19 0.00 -1.82 0.00 0.00 55.36 53.73 1u8c s GLN 310 Cb -0.41 -0.24 -0.00 0.00 -1.09 0.00 0.00 33.01 31.27 1u8c s GLN 310 CO 0.32 0.06 0.57 -2.00 -1.32 0.00 0.00 175.29 172.92 1u8c s GLU 311 N -0.65 3.69 0.00 9.60 2.12 -1.26 0.72 118.70 132.92 1u8c s GLU 311 Ca -0.04 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1u8c s GLU 311 Cb -0.05 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.55 1u8c s GLU 311 CO -0.00 -0.66 0.10 1.33 -0.54 0.00 0.00 175.26 175.49 1u8c n VAL 312 N 5.47 0.00 -1.47 3.70 0.24 -0.42 -0.27 118.33 125.59 1u8c n VAL 312 Ca -0.03 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.30 1u8c n VAL 312 Cb 0.49 1.28 -0.02 0.00 -1.47 0.00 0.00 33.84 34.12 1u8c n VAL 312 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u8c n GLY 313 N 0.00 -3.26 3.27 7.63 0.00 -0.08 -2.74 105.19 110.01 1u8c n GLY 313 Ca 0.00 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 1u8c n GLY 313 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1u8c s GLN 314 N -5.05 1.24 -0.17 1.61 -2.07 -1.03 -0.05 119.66 114.15 1u8c s GLN 314 Ca 0.00 -1.64 0.01 0.00 -1.82 0.00 0.00 55.36 51.91 1u8c s GLN 314 Cb 0.00 -0.21 0.03 0.00 -1.09 0.00 0.00 33.01 31.74 1u8c s GLN 314 CO 0.00 -0.23 -0.13 0.08 -1.32 0.00 0.00 175.29 173.69 1u8c s VAL 315 N -3.75 1.63 0.04 3.63 1.01 0.42 -1.12 120.40 122.26 1u8c s VAL 315 Ca 0.31 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1u8c s VAL 315 Cb 0.07 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1u8c s VAL 315 CO 0.09 0.38 1.05 -0.55 0.00 0.00 0.00 175.10 176.06 1u8c s SER 316 N 1.45 7.30 -0.47 3.32 0.15 0.20 -2.68 113.70 122.96 1u8c s SER 316 Ca 0.03 1.80 0.03 0.00 0.70 0.00 0.00 55.95 58.52 1u8c s SER 316 Cb -0.14 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.72 1u8c s SER 316 CO -0.10 -0.29 0.22 -0.69 1.20 0.00 0.00 173.24 173.58 1u8c s VAL 317 N 0.81 2.19 -0.35 4.45 1.01 -0.98 -1.26 120.40 126.28 1u8c s VAL 317 Ca 0.53 -2.93 -0.19 0.00 0.00 0.00 0.00 61.98 59.39 1u8c s VAL 317 Cb -0.24 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1u8c s VAL 317 CO 0.29 -0.79 0.56 -0.44 0.00 0.00 0.00 175.10 174.72 1u8c s SER 318 N 0.10 6.37 -0.11 3.32 0.01 -0.61 -1.92 113.70 120.87 1u8c s SER 318 Ca 0.16 0.08 -0.19 0.00 1.31 0.00 0.00 55.95 57.31 1u8c s SER 318 Cb -0.24 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 1u8c s SER 318 CO -0.02 -0.51 0.53 -0.76 0.41 0.00 0.00 173.24 172.89 1u8c s LEU 319 N 2.51 4.29 -0.21 2.44 1.02 -0.76 -2.13 118.68 125.83 1u8c s LEU 319 Ca 0.21 0.90 -0.19 0.00 0.02 0.00 0.00 54.13 55.08 1u8c s LEU 319 Cb -0.15 -2.79 -0.03 0.00 0.02 0.00 0.00 46.19 43.24 1u8c s LEU 319 CO 0.14 -0.03 0.53 -1.58 0.02 0.00 0.00 176.35 175.43 1u8c s GLN 320 N 0.66 4.16 0.23 1.70 0.74 -1.26 -0.14 119.66 125.76 1u8c s GLN 320 Ca 0.29 0.41 0.06 0.00 0.05 0.00 0.00 55.36 56.17 1u8c s GLN 320 Cb -0.16 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 1u8c s GLN 320 CO 0.12 -0.20 0.25 1.03 -0.55 0.00 0.00 175.29 175.94 1u8c s ARG 321 N 1.81 3.13 0.45 1.67 1.81 -1.14 -4.87 118.95 121.82 1u8c s ARG 321 Ca 0.24 -0.90 0.27 0.00 -1.72 0.00 0.00 55.73 53.63 1u8c s ARG 321 Cb -0.15 -2.71 1.33 0.00 -0.45 0.00 0.00 34.95 32.96 1u8c s ARG 321 CO 0.09 0.43 1.74 0.00 -0.68 0.00 0.00 175.30 176.88 1u8c h ALA 322 N 1.57 2.66 -0.49 2.13 0.00 -1.98 -0.56 119.26 122.59 1u8c h ALA 322 Ca -0.49 0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.55 1u8c h ALA 322 Cb 1.23 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1u8c h ALA 322 CO 0.62 -1.11 -0.01 1.03 0.00 0.00 0.00 179.25 179.78 1u8c h SER 323 N 0.20 -0.24 0.00 0.00 0.87 -2.02 -3.46 113.55 108.90 1u8c h SER 323 Ca 0.65 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 61.33 1u8c h SER 323 Cb 2.06 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 64.24 1u8c h SER 323 CO -0.23 -0.08 0.00 0.61 -0.53 0.00 0.00 176.83 176.60 1u8c n GLY 324 N -1.32 1.76 3.90 5.77 0.00 -0.22 -5.11 105.19 109.98 1u8c n GLY 324 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1u8c n GLY 324 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u8c s ASP 325 N -1.37 5.23 0.14 1.61 -0.00 -1.26 -4.86 116.67 116.16 1u8c s ASP 325 Ca 0.00 0.86 0.10 0.00 -0.00 0.00 0.00 52.55 53.51 1u8c s ASP 325 Cb 0.00 -1.64 -0.04 0.00 -0.00 0.00 0.00 42.92 41.24 1u8c s ASP 325 CO 0.00 -1.40 -0.18 -0.36 -0.00 0.00 0.00 175.17 173.22 1u8c s PHE 326 N -3.28 2.49 -0.53 4.23 0.40 -1.26 -2.86 117.98 117.17 1u8c s PHE 326 Ca 0.58 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 1u8c s PHE 326 Cb -0.11 -1.29 0.14 0.00 0.51 0.00 0.00 43.02 42.27 1u8c s PHE 326 CO 0.48 0.42 0.29 -1.14 0.70 0.00 0.00 175.22 175.98 1u8c s GLN 327 N -2.35 2.13 0.61 0.44 0.74 0.80 -4.90 119.66 117.13 1u8c s GLN 327 Ca 0.19 -2.44 -0.05 0.00 0.05 0.00 0.00 55.36 53.11 1u8c s GLN 327 Cb -0.10 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.56 1u8c s GLN 327 CO 0.11 -1.11 0.91 0.99 -0.55 0.00 0.00 175.29 175.63 1u8c s THR 328 N 0.05 3.21 0.31 -0.34 2.01 -1.26 -1.83 115.64 117.78 1u8c s THR 328 Ca 0.16 -0.17 -0.08 0.00 0.31 0.00 0.00 61.69 61.91 1u8c s THR 328 Cb -0.23 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.00 1u8c s THR 328 CO -0.03 -0.29 0.51 0.42 -0.69 0.00 0.00 174.62 174.55 1u8c s THR 329 N -3.01 0.00 0.25 -0.82 -4.23 -0.81 -4.94 115.64 102.08 1u8c s THR 329 Ca 0.56 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.66 1u8c s THR 329 Cb -0.11 -2.53 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1u8c s THR 329 CO 0.44 0.00 -0.04 -0.54 -0.54 0.00 0.00 174.62 173.93 1u8c s LYS 330 N -3.29 1.43 -0.26 3.99 -0.14 -1.26 -2.31 119.74 117.90 1u8c s LYS 330 Ca 0.26 -1.72 -0.02 0.00 -1.36 0.00 0.00 55.97 53.13 1u8c s LYS 330 Cb -0.01 -0.92 0.15 0.00 -1.68 0.00 0.00 37.83 35.37 1u8c s LYS 330 CO 0.15 -0.00 0.45 -1.17 -0.76 0.00 0.00 175.35 174.02 1u8c s LEU 331 N -3.37 -0.87 0.15 3.17 2.96 -1.09 -4.96 118.68 114.66 1u8c s LEU 331 Ca 0.28 0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1u8c s LEU 331 Cb 0.04 1.46 -0.04 0.00 0.50 0.00 0.00 46.19 48.15 1u8c s LEU 331 CO 0.10 -0.28 0.32 0.20 -1.32 0.00 0.00 176.35 175.36 1u8c s ASN 332 N 2.65 6.38 1.07 3.68 -0.87 -1.26 -0.44 114.94 126.14 1u8c s ASN 332 Ca 0.14 0.32 -0.04 0.00 -1.57 0.00 0.00 52.86 51.72 1u8c s ASN 332 Cb -0.15 -1.98 0.06 0.00 -0.02 0.00 0.00 41.25 39.16 1u8c s ASN 332 CO -0.17 0.04 0.16 0.61 -2.57 0.00 0.00 177.10 175.17 1u8c n GLY 333 N -0.34 -3.26 1.21 0.66 0.00 0.93 -4.97 105.19 99.43 1u8c n GLY 333 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1u8c n GLY 333 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1u8c n PHE 334 N -3.25 -0.27 -2.80 1.61 3.01 -1.26 -4.96 117.46 109.54 1u8c n PHE 334 Ca 0.02 0.05 -0.37 0.00 1.01 0.00 0.00 57.45 58.16 1u8c n PHE 334 Cb 0.10 0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 39.61 1u8c n PHE 334 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1u8c s GLU 335 N -2.00 4.60 0.34 -1.08 2.02 -1.26 -4.99 118.70 116.33 1u8c s GLU 335 Ca 0.00 1.32 -0.27 0.00 0.02 0.00 0.00 54.97 56.04 1u8c s GLU 335 Cb 0.00 -2.88 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 1u8c s GLU 335 CO 0.00 0.33 1.12 0.08 0.02 0.00 0.00 175.26 176.80 1u8c s VAL 336 N -1.54 3.41 0.00 2.63 1.01 -1.26 -3.44 120.40 121.20 1u8c s VAL 336 Ca 0.48 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.74 1u8c s VAL 336 Cb -0.20 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1u8c s VAL 336 CO 0.25 0.20 0.00 0.49 0.00 0.00 0.00 175.10 176.03 1u8c n PHE 337 N 0.59 0.00 0.29 5.22 3.72 0.63 -4.85 117.46 123.06 1u8c n PHE 337 Ca 0.02 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.59 1u8c n PHE 337 Cb 0.46 -0.59 0.73 0.00 -0.94 0.00 0.00 39.48 39.14 1u8c n PHE 337 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1u8c h ALA 338 N 0.00 1.00 -4.71 4.37 0.00 -1.68 -3.44 119.26 114.80 1u8c h ALA 338 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1u8c h ALA 338 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u8c h ALA 338 CO 0.00 0.00 -0.48 0.54 0.00 0.00 0.00 179.25 179.31 1u8c n ARG 339 N -3.01 -2.05 0.00 0.00 1.74 -1.26 -1.63 116.66 110.45 1u8c n ARG 339 Ca 0.00 1.88 0.00 0.00 -0.77 0.00 0.00 57.85 58.96 1u8c n ARG 339 Cb 0.27 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.09 1u8c n ARG 339 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1u8c n PHE 340 N -0.12 0.00 0.57 -1.55 7.35 -1.24 -3.20 117.46 119.27 1u8c n PHE 340 Ca 0.07 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.76 1u8c n PHE 340 Cb 0.26 -0.42 0.00 0.00 0.35 0.00 0.00 39.48 39.67 1u8c n PHE 340 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8c n GLY 341 N -0.17 1.00 0.31 7.13 0.00 -1.26 -3.30 105.19 108.91 1u8c n GLY 341 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1u8c n GLY 341 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1u8c h SER 342 N 0.64 0.00 -0.94 1.61 0.87 -1.51 -3.40 113.55 110.82 1u8c h SER 342 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1u8c h SER 342 Cb 0.43 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.18 1u8c h SER 342 CO 0.00 0.01 -0.28 0.00 -0.53 0.00 0.00 176.83 176.03 1u8c s ALA 343 N -4.28 -2.42 0.07 6.23 0.00 -1.24 -4.86 121.76 115.26 1u8c s ALA 343 Ca -0.04 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1u8c s ALA 343 Cb 0.13 -2.34 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 1u8c s ALA 343 CO 0.48 -1.53 0.35 0.42 0.00 0.00 0.00 175.76 175.47 1u8c s ILE 344 N 2.86 5.18 -0.19 0.00 1.01 -1.26 -1.35 121.20 127.45 1u8c s ILE 344 Ca 0.16 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.01 1u8c s ILE 344 Cb -0.13 -3.61 0.10 0.00 0.01 0.00 0.00 42.46 38.82 1u8c s ILE 344 CO -0.22 0.25 0.36 0.00 0.00 0.00 0.00 174.94 175.33 1u8c s ALA 345 N -1.43 -0.94 0.21 9.38 0.00 0.52 -4.94 121.76 124.57 1u8c s ALA 345 Ca 0.33 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 1u8c s ALA 345 Cb -0.13 -1.34 -0.08 0.00 0.00 0.00 0.00 23.12 21.56 1u8c s ALA 345 CO 0.19 -0.89 1.18 -2.14 0.00 0.00 0.00 175.76 174.11 1u8c s PRO 346 N 2.53 4.51 0.53 0.00 0.02 -1.26 -1.03 135.00 140.30 1u8c s PRO 346 Ca 0.03 1.88 0.05 0.00 0.02 0.00 0.00 61.00 62.98 1u8c s PRO 346 Cb -0.13 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.19 1u8c s PRO 346 CO -0.12 -0.04 0.30 -0.51 -0.33 0.00 0.00 177.00 176.30 1u8c s LEU 347 N -0.53 2.65 0.00 -5.54 1.43 -0.76 -3.28 118.68 112.64 1u8c s LEU 347 Ca 0.51 -1.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1u8c s LEU 347 Cb -0.33 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1u8c s LEU 347 CO 0.38 -1.01 0.00 0.61 0.23 0.00 0.00 176.35 176.56 1u8c n GLY 348 N -1.62 0.91 3.02 -3.19 0.00 -1.26 -4.22 105.19 98.83 1u8c n GLY 348 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1u8c n GLY 348 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u8c s ASP 349 N -1.00 4.92 0.11 1.61 3.68 -1.26 0.07 116.67 124.80 1u8c s ASP 349 Ca 0.00 -3.13 0.05 0.00 2.13 0.00 0.00 52.55 51.60 1u8c s ASP 349 Cb 0.00 -1.76 0.30 0.00 -1.45 0.00 0.00 42.92 40.01 1u8c s ASP 349 CO 0.00 -0.26 1.06 -0.11 0.13 0.00 0.00 175.17 175.99 1u8c n LEU 350 N 3.03 0.14 -0.11 -1.34 7.94 -1.26 -0.77 117.00 124.64 1u8c n LEU 350 Ca 0.10 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 1u8c n LEU 350 Cb 0.35 -0.46 0.01 0.00 0.53 0.00 0.00 43.42 43.85 1u8c n LEU 350 CO 0.33 -0.51 0.29 -0.90 -1.11 0.00 0.00 177.39 175.50 1u8c n ASP 351 N -1.63 0.34 -2.89 1.96 5.75 -1.26 -4.49 116.55 114.33 1u8c n ASP 351 Ca -0.00 -1.42 -0.16 0.00 -0.01 0.00 0.00 54.79 53.20 1u8c n ASP 351 Cb 0.15 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 1u8c n ASP 351 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1u8c n GLN 352 N -0.12 -2.80 0.00 0.11 -0.06 0.05 -4.79 117.38 109.78 1u8c n GLN 352 Ca 0.01 0.44 0.12 0.00 -2.00 0.00 0.00 57.00 55.57 1u8c n GLN 352 Cb 0.52 -5.07 0.57 0.00 -4.06 0.00 0.00 30.24 22.20 1u8c n GLN 352 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1u8c n ASP 353 N -1.97 0.00 0.00 1.69 5.68 -1.26 -4.86 116.55 115.83 1u8c n ASP 353 Ca -0.06 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1u8c n ASP 353 Cb 0.56 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 1u8c n ASP 353 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u8c n GLY 354 N 1.02 0.74 2.94 6.12 0.00 -1.26 -5.08 105.19 109.67 1u8c n GLY 354 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1u8c n GLY 354 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u8c s PHE 355 N -2.00 0.23 0.56 1.61 0.08 -1.26 -4.73 117.98 112.47 1u8c s PHE 355 Ca 0.00 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 1u8c s PHE 355 Cb 0.00 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.24 1u8c s PHE 355 CO 0.00 -0.08 1.02 -0.80 -0.10 0.00 0.00 175.22 175.26 1u8c s ASN 356 N -0.76 6.16 0.32 1.36 0.01 -1.25 -4.45 114.94 116.32 1u8c s ASN 356 Ca -0.07 1.68 0.10 0.00 -0.71 0.00 0.00 52.86 53.86 1u8c s ASN 356 Cb -0.05 -2.52 -0.06 0.00 0.41 0.00 0.00 41.25 39.03 1u8c s ASN 356 CO -0.00 -0.91 -0.11 -1.81 -1.51 0.00 0.00 177.10 172.76 1u8c s ASP 357 N -3.01 3.78 0.02 -1.22 1.01 0.11 -2.23 116.67 115.14 1u8c s ASP 357 Ca 0.61 -1.11 0.02 0.00 0.71 0.00 0.00 52.55 52.78 1u8c s ASP 357 Cb -0.13 -0.38 -0.02 0.00 1.01 0.00 0.00 42.92 43.41 1u8c s ASP 357 CO 0.36 -0.14 -0.06 -0.51 0.21 0.00 0.00 175.17 175.03 1u8c s ILE 358 N -2.56 0.45 -0.10 0.77 2.07 0.15 -1.82 121.20 120.16 1u8c s ILE 358 Ca 0.32 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1u8c s ILE 358 Cb -0.00 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 42.09 1u8c s ILE 358 CO 0.17 -0.19 -0.12 0.00 -1.91 0.00 0.00 174.94 172.89 1u8c s ALA 359 N -0.86 2.72 -0.04 1.50 0.00 -0.20 0.25 121.76 125.13 1u8c s ALA 359 Ca -0.05 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.06 1u8c s ALA 359 Cb -0.07 -1.17 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 1u8c s ALA 359 CO 0.00 0.39 -0.23 0.42 0.00 0.00 0.00 175.76 176.34 1u8c s ILE 360 N -0.16 2.25 -0.05 0.00 1.01 0.44 -0.35 121.20 124.34 1u8c s ILE 360 Ca 0.00 -1.01 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1u8c s ILE 360 Cb -0.13 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1u8c s ILE 360 CO 0.03 0.58 -0.22 0.00 0.00 0.00 0.00 174.94 175.33 1u8c s ALA 361 N -0.42 2.31 -0.78 9.38 0.00 -0.45 0.45 121.76 132.25 1u8c s ALA 361 Ca 0.04 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1u8c s ALA 361 Cb -0.12 -0.75 0.19 0.00 0.00 0.00 0.00 23.12 22.44 1u8c s ALA 361 CO 0.01 0.46 0.62 0.00 0.00 0.00 0.00 175.76 176.85 1u8c n ALA 362 N 2.73 3.60 -0.60 0.00 0.00 0.21 -3.21 120.51 123.24 1u8c n ALA 362 Ca -0.17 -4.57 0.47 0.00 0.00 0.00 0.00 53.44 49.17 1u8c n ALA 362 Cb 0.52 -1.28 0.74 0.00 0.00 0.00 0.00 19.45 19.43 1u8c n ALA 362 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1u8c n PRO 363 N 2.03 -0.01 -2.51 0.00 -0.02 -1.09 -1.98 135.00 131.42 1u8c n PRO 363 Ca 0.21 1.09 -0.24 0.00 -2.02 0.00 0.00 63.50 62.54 1u8c n PRO 363 Cb 0.36 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.47 1u8c n PRO 363 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u8c n TYR 364 N -4.09 2.98 -4.46 6.00 4.02 -0.64 -3.63 117.16 117.33 1u8c n TYR 364 Ca 0.41 -3.04 -0.27 0.00 -0.01 0.00 0.00 57.90 54.99 1u8c n TYR 364 Cb 1.79 -0.14 -0.13 0.00 -0.02 0.00 0.00 39.34 40.83 1u8c n TYR 364 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1u8c s GLY 365 N -3.46 1.37 0.00 2.72 0.00 -0.87 -3.94 107.32 103.14 1u8c s GLY 365 Ca 0.44 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1u8c s GLY 365 CO -0.14 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.29 1u8c n GLY 366 N 1.23 -0.03 4.20 0.20 0.00 -1.26 -1.84 105.19 107.68 1u8c n GLY 366 Ca -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1u8c n GLY 366 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u8c n GLU 367 N 0.17 0.00 -3.74 1.61 4.71 -1.26 -0.60 120.64 121.53 1u8c n GLU 367 Ca 0.00 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.87 1u8c n GLU 367 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 31.44 30.32 1u8c n GLU 367 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1u8c n ASP 368 N 2.29 2.32 -2.28 1.62 8.00 -1.26 -4.82 116.55 122.42 1u8c n ASP 368 Ca 0.00 -3.05 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 1u8c n ASP 368 Cb 0.00 -0.71 -0.01 0.00 -0.02 0.00 0.00 41.12 40.38 1u8c n ASP 368 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1u8c n LYS 369 N 2.02 -2.18 0.22 -1.24 5.02 0.23 -4.79 118.16 117.44 1u8c n LYS 369 Ca 0.23 0.53 0.16 0.00 -2.02 0.00 0.00 58.31 57.20 1u8c n LYS 369 Cb 0.39 -5.05 0.74 0.00 -0.02 0.00 0.00 35.03 31.08 1u8c n LYS 369 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1u8c h LYS 370 N 0.00 0.00 0.00 1.97 1.57 -1.65 -3.41 116.57 115.06 1u8c h LYS 370 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1u8c h LYS 370 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1u8c h LYS 370 CO 0.30 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 1u8c n GLY 371 N -0.58 1.29 2.88 3.86 0.00 -0.77 -4.02 105.19 107.85 1u8c n GLY 371 Ca -0.00 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 1u8c n GLY 371 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8c s ILE 372 N -1.02 -0.00 -0.10 -0.61 1.01 -0.84 -0.21 121.20 119.43 1u8c s ILE 372 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.69 1u8c s ILE 372 Cb 0.00 -0.03 0.00 0.00 0.01 0.00 0.00 42.46 42.44 1u8c s ILE 372 CO 0.00 0.00 -0.22 -0.69 0.00 0.00 0.00 174.94 174.04 1u8c s VAL 373 N 0.05 1.88 -0.16 2.92 1.01 0.47 0.68 120.40 127.24 1u8c s VAL 373 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 1u8c s VAL 373 Cb -0.01 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1u8c s VAL 373 CO -0.00 0.52 -0.05 -0.31 0.00 0.00 0.00 175.10 175.26 1u8c s TYR 374 N 0.43 2.98 -0.20 5.22 2.02 0.17 0.29 117.35 128.26 1u8c s TYR 374 Ca -0.17 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 55.99 1u8c s TYR 374 Cb -0.17 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1u8c s TYR 374 CO 0.07 -0.15 0.09 0.96 -1.57 0.00 0.00 175.55 174.95 1u8c s ILE 375 N 0.56 4.97 -0.15 2.71 -5.25 -0.62 -0.42 121.20 123.00 1u8c s ILE 375 Ca -0.04 0.03 -0.02 0.00 -0.99 0.00 0.00 60.65 59.64 1u8c s ILE 375 Cb -0.15 -3.26 -0.02 0.00 2.95 0.00 0.00 42.46 41.98 1u8c s ILE 375 CO 0.03 0.43 -0.08 -0.36 -1.79 0.00 0.00 174.94 173.17 1u8c s PHE 376 N 0.53 2.92 0.24 1.37 0.40 0.14 -1.65 117.98 121.92 1u8c s PHE 376 Ca 0.05 -0.51 -0.17 0.00 -0.60 0.00 0.00 56.93 55.69 1u8c s PHE 376 Cb -0.12 -1.91 -0.08 0.00 0.51 0.00 0.00 43.02 41.41 1u8c s PHE 376 CO 0.01 -0.16 0.70 -0.80 0.70 0.00 0.00 175.22 175.66 1u8c s ASN 377 N 0.44 6.93 0.24 1.36 0.01 -1.26 -0.68 114.94 121.99 1u8c s ASN 377 Ca -0.07 1.31 0.01 0.00 -0.71 0.00 0.00 52.86 53.41 1u8c s ASN 377 Cb -0.15 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 1u8c s ASN 377 CO 0.04 -0.02 0.41 -0.83 -1.51 0.00 0.00 177.10 175.19 1u8c s GLY 378 N -1.85 1.56 -0.07 0.66 0.00 -0.95 -1.92 107.32 104.75 1u8c s GLY 378 Ca 0.45 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.99 1u8c s GLY 378 CO 0.20 -0.91 0.54 1.09 0.00 0.00 0.00 173.10 174.01 1u8c s ARG 379 N -3.69 0.85 0.06 2.90 1.70 0.21 -4.73 118.95 116.25 1u8c s ARG 379 Ca 0.38 0.23 -0.10 0.00 -0.47 0.00 0.00 55.73 55.76 1u8c s ARG 379 Cb -0.10 0.40 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1u8c s ARG 379 CO 0.31 -0.23 0.52 0.45 -1.08 0.00 0.00 175.30 175.27 1u8c n SER 380 N 1.42 -0.35 -0.04 -2.89 2.88 -1.26 0.19 113.62 113.57 1u8c n SER 380 Ca -0.19 0.60 0.23 0.00 -1.33 0.00 0.00 58.87 58.19 1u8c n SER 380 Cb 0.56 -0.08 0.72 0.00 -0.75 0.00 0.00 64.21 64.66 1u8c n SER 380 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1u8c h THR 381 N 0.00 0.57 0.00 2.46 1.35 -1.97 -3.45 112.91 111.88 1u8c h THR 381 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1u8c h THR 381 Cb 0.14 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1u8c h THR 381 CO -0.32 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.56 1u8c n GLY 382 N -1.63 -0.46 3.17 5.82 0.00 0.52 -5.08 105.19 107.52 1u8c n GLY 382 Ca 0.12 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1u8c n GLY 382 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u8c s LEU 383 N 0.00 2.83 0.13 0.99 2.96 -1.26 -0.62 118.68 123.71 1u8c s LEU 383 Ca 0.00 -0.81 -0.33 0.00 -0.22 0.00 0.00 54.13 52.77 1u8c s LEU 383 Cb 0.00 -1.59 -0.12 0.00 0.50 0.00 0.00 46.19 44.97 1u8c s LEU 383 CO 0.00 -0.08 1.71 -3.20 -1.32 0.00 0.00 176.35 173.46 1u8c n ASN 384 N 4.63 3.59 -0.93 3.68 4.05 -0.81 -4.84 115.26 124.64 1u8c n ASN 384 Ca -0.18 1.04 0.01 0.00 0.45 0.00 0.00 54.58 55.90 1u8c n ASN 384 Cb 0.48 -1.49 0.10 0.00 1.23 0.00 0.00 39.78 40.10 1u8c n ASN 384 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1u8c n ALA 385 N 4.46 2.92 -3.97 5.20 0.00 -1.26 -4.48 120.51 123.39 1u8c n ALA 385 Ca 0.18 -0.54 -0.31 0.00 0.00 0.00 0.00 53.44 52.77 1u8c n ALA 385 Cb 0.32 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 1u8c n ALA 385 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u8c s VAL 386 N -1.39 1.90 -0.46 0.00 1.01 -1.26 -5.07 120.40 115.14 1u8c s VAL 386 Ca 0.14 -1.86 -0.43 0.00 0.00 0.00 0.00 61.98 59.84 1u8c s VAL 386 Cb 0.11 -2.29 -0.18 0.00 0.00 0.00 0.00 36.38 34.02 1u8c s VAL 386 CO 0.04 -0.41 1.49 -0.81 0.00 0.00 0.00 175.10 175.41 1u8c n PRO 387 N 4.46 0.00 0.14 2.72 -0.04 -1.26 -4.78 135.00 136.23 1u8c n PRO 387 Ca -0.03 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 1u8c n PRO 387 Cb 0.42 -1.37 0.04 0.00 -0.04 0.00 0.00 33.50 32.56 1u8c n PRO 387 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u8c h SER 388 N 4.80 0.00 -5.15 3.54 4.64 -1.68 -3.47 113.55 116.23 1u8c h SER 388 Ca -0.38 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 1u8c h SER 388 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 1u8c h SER 388 CO 0.90 0.38 -0.39 -1.58 -0.87 0.00 0.00 176.83 175.28 1u8c s GLN 389 N -3.03 0.81 -0.09 4.77 0.74 -1.15 -4.86 119.66 116.85 1u8c s GLN 389 Ca 0.03 -0.92 -0.01 0.00 0.05 0.00 0.00 55.36 54.51 1u8c s GLN 389 Cb 0.07 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.54 1u8c s GLN 389 CO 0.74 -0.25 -0.02 0.42 -0.55 0.00 0.00 175.29 175.63 1u8c s ILE 390 N -3.67 0.61 -0.24 -2.34 1.01 -1.26 -1.59 121.20 113.71 1u8c s ILE 390 Ca 0.04 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.51 1u8c s ILE 390 Cb 0.04 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 1u8c s ILE 390 CO -0.10 0.27 0.23 -0.76 0.00 0.00 0.00 174.94 174.58 1u8c s LEU 391 N 1.87 4.10 -0.24 2.97 2.01 0.14 -4.95 118.68 124.59 1u8c s LEU 391 Ca 0.05 0.19 -0.07 0.00 0.01 0.00 0.00 54.13 54.30 1u8c s LEU 391 Cb -0.13 -2.22 -0.03 0.00 0.01 0.00 0.00 46.19 43.83 1u8c s LEU 391 CO -0.06 -0.00 0.06 -1.61 1.01 0.00 0.00 176.35 175.74 1u8c s GLU 392 N 1.31 3.65 0.24 1.70 2.02 -1.26 -0.40 118.70 125.96 1u8c s GLU 392 Ca 0.10 -0.48 -0.31 0.00 0.02 0.00 0.00 54.97 54.30 1u8c s GLU 392 Cb -0.14 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.67 1u8c s GLU 392 CO 0.07 -0.17 1.63 0.41 0.02 0.00 0.00 175.26 177.22 1u8c n GLY 393 N 4.84 1.35 2.74 -1.39 0.00 0.70 -4.88 105.19 108.55 1u8c n GLY 393 Ca -0.16 0.55 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 1u8c n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8c n GLN 394 N 3.03 3.49 -3.69 1.61 -0.00 -1.26 -4.69 117.38 115.87 1u8c n GLN 394 Ca 0.13 -4.20 -0.11 0.00 -0.00 0.00 0.00 57.00 52.82 1u8c n GLN 394 Cb 0.35 -2.29 -0.12 0.00 -0.00 0.00 0.00 30.24 28.17 1u8c n GLN 394 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1u8c s TRP 395 N -3.88 -0.52 0.52 2.61 0.52 -1.26 -5.16 118.94 111.77 1u8c s TRP 395 Ca 0.48 1.12 -0.07 0.00 0.02 0.00 0.00 56.10 57.66 1u8c s TRP 395 Cb 0.36 0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.80 1u8c s TRP 395 CO -0.26 -0.34 0.85 0.00 0.02 0.00 0.00 176.95 177.22 1u8c s ALA 396 N 1.76 3.32 1.00 0.98 0.00 -1.26 -4.73 121.76 122.82 1u8c s ALA 396 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.50 1u8c s ALA 396 Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1u8c s ALA 396 CO -0.11 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 175.20 1u8c n ALA 397 N -2.40 0.00 -0.22 0.00 0.00 -1.26 -4.81 120.51 111.81 1u8c n ALA 397 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1u8c n ALA 397 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1u8c n ALA 397 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1u8c n ARG 398 N -1.31 0.00 0.00 0.00 1.85 -1.26 -4.97 116.66 110.97 1u8c n ARG 398 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1u8c n ARG 398 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1u8c n ARG 398 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1u8c n SER 399 N 0.00 0.00 -3.49 2.89 2.88 -1.26 -5.14 113.62 109.50 1u8c n SER 399 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1u8c n SER 399 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1u8c n SER 399 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u8c s MET 400 N -0.03 0.91 0.20 -1.46 0.23 -1.26 -5.14 119.30 112.76 1u8c s MET 400 Ca 0.00 -0.24 -0.32 0.00 -1.03 0.00 0.00 55.69 54.09 1u8c s MET 400 Cb 0.00 0.42 -0.14 0.00 -1.53 0.00 0.00 34.83 33.58 1u8c s MET 400 CO 0.00 -0.38 1.40 -0.35 -2.03 0.00 0.00 175.02 173.66 1u8c n PRO 401 N -0.07 1.85 -0.27 3.16 -0.04 -1.26 -4.69 135.00 133.68 1u8c n PRO 401 Ca -0.12 0.66 0.07 0.00 -0.04 0.00 0.00 63.50 64.08 1u8c n PRO 401 Cb 0.62 -2.31 0.21 0.00 -0.04 0.00 0.00 33.50 31.98 1u8c n PRO 401 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1u8c h PRO 402 N 4.48 0.37 -0.46 0.54 0.13 -1.86 -3.33 132.00 131.87 1u8c h PRO 402 Ca -0.45 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 1u8c h PRO 402 Cb 1.29 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1u8c h PRO 402 CO 0.78 0.25 -0.09 0.43 -0.23 0.00 0.00 178.00 179.14 1u8c n SER 403 N -5.06 -2.09 -4.57 1.44 7.64 -1.26 0.13 113.62 109.85 1u8c n SER 403 Ca 0.16 0.01 -0.54 0.00 1.01 0.00 0.00 58.87 59.51 1u8c n SER 403 Cb 0.49 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.36 1u8c n SER 403 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1u8c n PHE 404 N -3.83 1.28 -0.34 1.43 7.35 -1.26 -1.44 117.46 120.66 1u8c n PHE 404 Ca -0.04 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.40 1u8c n PHE 404 Cb 0.47 -2.27 0.00 0.00 0.35 0.00 0.00 39.48 38.03 1u8c n PHE 404 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8c n GLY 405 N 2.25 1.46 0.34 7.13 0.00 -1.22 -4.09 105.19 111.05 1u8c n GLY 405 Ca 0.19 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.42 1u8c n GLY 405 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u8c h TYR 406 N 0.00 0.00 -3.34 1.61 3.20 -1.35 -3.42 116.97 113.68 1u8c h TYR 406 Ca 0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1u8c h TYR 406 Cb 0.00 0.00 -0.20 0.00 1.54 0.00 0.00 36.73 38.07 1u8c h TYR 406 CO 0.00 0.00 -0.41 -1.54 -1.64 0.00 0.00 178.16 174.57 1u8c s SER 407 N -5.10 -0.05 -0.30 -2.11 1.04 -1.26 -4.79 113.70 101.13 1u8c s SER 407 Ca -0.05 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.09 1u8c s SER 407 Cb 0.13 0.25 0.19 0.00 0.10 0.00 0.00 66.02 66.68 1u8c s SER 407 CO 0.40 -0.41 1.25 0.00 0.98 0.00 0.00 173.24 175.46 1u8c s MET 408 N -1.41 0.13 0.11 4.02 0.23 -1.26 -1.81 119.30 119.30 1u8c s MET 408 Ca -0.14 0.20 0.08 0.00 -1.03 0.00 0.00 55.69 54.81 1u8c s MET 408 Cb -0.07 0.04 -0.04 0.00 -1.53 0.00 0.00 34.83 33.24 1u8c s MET 408 CO 0.02 -0.02 -0.17 0.21 -2.03 0.00 0.00 175.02 173.03 1u8c s LYS 409 N 0.78 1.86 0.00 3.16 2.47 -0.91 -4.76 119.74 122.34 1u8c s LYS 409 Ca -0.04 -1.14 0.00 0.00 -1.56 0.00 0.00 55.97 53.23 1u8c s LYS 409 Cb -0.03 -2.15 0.00 0.00 -1.46 0.00 0.00 37.83 34.19 1u8c s LYS 409 CO -0.12 0.49 0.00 0.41 0.16 0.00 0.00 175.35 176.29 1u8c n GLY 410 N 0.82 5.49 2.41 5.54 0.00 -1.24 -0.62 105.19 117.60 1u8c n GLY 410 Ca -0.15 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.62 1u8c n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8c n ALA 411 N -3.00 -0.71 -3.71 4.61 0.00 -1.21 -4.92 120.51 111.58 1u8c n ALA 411 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 1u8c n ALA 411 Cb 0.00 -1.64 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 1u8c n ALA 411 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1u8c s THR 412 N -2.67 -0.14 -1.15 0.00 2.01 -1.26 -4.82 115.64 107.60 1u8c s THR 412 Ca 0.00 0.24 -0.10 0.00 0.31 0.00 0.00 61.69 62.14 1u8c s THR 412 Cb 0.00 -0.29 0.25 0.00 0.01 0.00 0.00 72.50 72.47 1u8c s THR 412 CO 0.00 0.10 1.26 -0.67 -0.69 0.00 0.00 174.62 174.62 1u8c n ASP 413 N 4.65 5.51 -0.27 3.53 2.03 -1.26 -2.51 116.55 128.23 1u8c n ASP 413 Ca -0.18 -3.06 0.00 0.00 0.52 0.00 0.00 54.79 52.07 1u8c n ASP 413 Cb 0.51 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1u8c n ASP 413 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1u8c n ILE 414 N 3.08 0.00 -1.75 5.18 3.06 -1.26 -4.69 119.36 122.98 1u8c n ILE 414 Ca 0.28 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.53 1u8c n ILE 414 Cb 0.39 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 40.34 1u8c n ILE 414 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1u8c n ASP 415 N 0.03 0.00 0.00 9.51 3.85 -1.26 -4.83 116.55 123.85 1u8c n ASP 415 Ca 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.08 1u8c n ASP 415 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1u8c n ASP 415 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1u8c n LYS 416 N 0.00 0.00 -0.38 0.11 4.01 -1.26 -4.85 118.16 115.79 1u8c n LYS 416 Ca 0.00 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.65 1u8c n LYS 416 Cb 0.00 -0.35 -0.02 0.00 -0.51 0.00 0.00 35.03 34.15 1u8c n LYS 416 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1u8c n ASN 417 N 0.00 0.13 -1.70 4.39 6.94 -1.26 -4.66 115.26 119.10 1u8c n ASN 417 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.83 1u8c n ASN 417 Cb 0.00 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 1u8c n ASN 417 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1u8c n GLY 418 N 0.62 0.51 3.12 4.83 0.00 -1.26 -4.66 105.19 108.35 1u8c n GLY 418 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1u8c n GLY 418 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u8c s TYR 419 N 1.60 1.22 0.00 1.61 1.51 -1.26 -4.81 117.35 117.21 1u8c s TYR 419 Ca 0.00 -0.28 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1u8c s TYR 419 Cb 0.00 -0.76 0.00 0.00 -0.11 0.00 0.00 41.96 41.09 1u8c s TYR 419 CO 0.00 0.00 0.00 -2.30 -1.11 0.00 0.00 175.55 172.14 1u8c n PRO 420 N 2.38 2.70 -3.77 -1.71 -0.02 -1.26 -4.57 135.00 128.75 1u8c n PRO 420 Ca -0.16 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.32 1u8c n PRO 420 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 1u8c n PRO 420 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1u8c s ASP 421 N -2.63 -0.06 -0.11 2.55 -0.00 -1.04 -3.95 116.67 111.43 1u8c s ASP 421 Ca 0.00 -0.33 -0.07 0.00 -0.00 0.00 0.00 52.55 52.15 1u8c s ASP 421 Cb 0.00 0.32 0.04 0.00 -0.00 0.00 0.00 42.92 43.28 1u8c s ASP 421 CO 0.00 -0.60 0.26 -0.22 -0.00 0.00 0.00 175.17 174.60 1u8c s LEU 422 N -3.19 0.59 0.03 1.23 2.96 -0.55 -4.04 118.68 115.70 1u8c s LEU 422 Ca 0.18 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.65 1u8c s LEU 422 Cb 0.01 0.82 -0.04 0.00 0.50 0.00 0.00 46.19 47.48 1u8c s LEU 422 CO 0.00 -0.14 0.02 -0.63 -1.32 0.00 0.00 176.35 174.28 1u8c s ILE 423 N 0.89 4.25 -0.10 6.68 1.01 0.21 -0.37 121.20 133.77 1u8c s ILE 423 Ca -0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.81 1u8c s ILE 423 Cb -0.07 -2.96 0.03 0.00 0.01 0.00 0.00 42.46 39.47 1u8c s ILE 423 CO -0.06 0.27 0.26 -0.69 0.00 0.00 0.00 174.94 174.72 1u8c s VAL 424 N -1.21 -0.01 -0.06 2.92 1.01 -0.34 -2.14 120.40 120.56 1u8c s VAL 424 Ca 0.23 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1u8c s VAL 424 Cb -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1u8c s VAL 424 CO 0.15 0.02 -0.16 -0.83 0.00 0.00 0.00 175.10 174.27 1u8c s GLY 425 N 0.58 0.95 -0.65 4.51 0.00 -0.75 0.39 107.32 112.34 1u8c s GLY 425 Ca -0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1u8c s GLY 425 CO -0.03 -0.16 0.51 0.00 0.00 0.00 0.00 173.10 173.42 1u8c s ALA 426 N 0.35 3.68 -1.15 3.20 0.00 0.77 -3.43 121.76 125.18 1u8c s ALA 426 Ca -0.11 -3.12 0.19 0.00 0.00 0.00 0.00 51.96 48.92 1u8c s ALA 426 Cb -0.14 -2.94 0.85 0.00 0.00 0.00 0.00 23.12 20.89 1u8c s ALA 426 CO 0.04 -2.11 1.59 1.97 0.00 0.00 0.00 175.76 177.26 1u8c n PHE 427 N 3.94 0.00 -0.05 0.00 1.16 -1.10 -1.25 117.46 120.17 1u8c n PHE 427 Ca 0.06 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.49 1u8c n PHE 427 Cb 0.41 -0.43 -0.07 0.00 -1.61 0.00 0.00 39.48 37.79 1u8c n PHE 427 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 1u8c h GLY 428 N 3.19 0.75 -0.94 4.97 0.00 0.89 -2.97 103.07 108.95 1u8c h GLY 428 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1u8c h GLY 428 CO 0.00 0.85 -0.07 3.33 0.00 0.00 0.00 176.54 180.65 1u8c n VAL 429 N -4.14 0.00 -2.81 4.60 0.24 -1.05 -4.79 118.33 110.39 1u8c n VAL 429 Ca -0.06 -0.32 -0.05 0.00 -2.04 0.00 0.00 64.34 61.86 1u8c n VAL 429 Cb 0.61 0.90 0.01 0.00 -1.47 0.00 0.00 33.84 33.88 1u8c n VAL 429 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1u8c n ASP 430 N 0.48 -7.97 0.00 -1.34 8.00 -0.38 -4.86 116.55 110.48 1u8c n ASP 430 Ca 0.16 0.90 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1u8c n ASP 430 Cb 0.45 -5.32 0.00 0.00 -0.02 0.00 0.00 41.12 36.23 1u8c n ASP 430 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1u8c n ARG 431 N 0.13 0.00 -3.98 -1.24 1.85 -0.53 -3.12 116.66 109.77 1u8c n ARG 431 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.83 1u8c n ARG 431 Cb 0.28 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.59 1u8c n ARG 431 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1u8c s ALA 432 N -2.00 0.11 0.02 2.89 0.00 -1.01 -0.16 121.76 121.60 1u8c s ALA 432 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.30 1u8c s ALA 432 Cb 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1u8c s ALA 432 CO 0.00 -0.28 -0.11 0.42 0.00 0.00 0.00 175.76 175.78 1u8c s ILE 433 N -2.56 0.89 -0.23 0.00 1.09 0.16 -1.47 121.20 119.08 1u8c s ILE 433 Ca -0.06 -0.74 -0.02 0.00 -1.10 0.00 0.00 60.65 58.73 1u8c s ILE 433 Cb -0.02 -0.79 0.01 0.00 -1.06 0.00 0.00 42.46 40.60 1u8c s ILE 433 CO -0.05 0.06 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.55 1u8c s LEU 434 N -0.78 2.91 -0.21 2.97 0.20 -0.49 -1.20 118.68 122.09 1u8c s LEU 434 Ca 0.01 -0.68 -0.13 0.00 0.69 0.00 0.00 54.13 54.03 1u8c s LEU 434 Cb -0.06 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 1u8c s LEU 434 CO 0.00 -0.07 0.25 -0.31 -0.29 0.00 0.00 176.35 175.93 1u8c s TYR 435 N 1.37 3.37 -0.23 5.38 1.51 0.50 -2.37 117.35 126.88 1u8c s TYR 435 Ca 0.03 0.42 -0.12 0.00 -1.01 0.00 0.00 57.07 56.38 1u8c s TYR 435 Cb -0.15 -2.35 -0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1u8c s TYR 435 CO -0.06 0.10 0.25 1.03 -1.11 0.00 0.00 175.55 175.76 1u8c s ARG 436 N 0.96 4.10 0.56 -0.62 0.52 -1.26 -1.49 118.95 121.72 1u8c s ARG 436 Ca 0.13 -0.10 -0.21 0.00 -0.52 0.00 0.00 55.73 55.02 1u8c s ARG 436 Cb -0.13 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1u8c s ARG 436 CO 0.05 0.01 1.37 0.00 0.02 0.00 0.00 175.30 176.75 1u8c n ALA 437 N 4.39 1.60 -2.73 2.13 0.00 -1.25 -1.67 120.51 122.98 1u8c n ALA 437 Ca -0.12 0.12 -0.28 0.00 0.00 0.00 0.00 53.44 53.15 1u8c n ALA 437 Cb 0.52 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 1u8c n ALA 437 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u8c s ARG 438 N -2.95 3.54 -0.24 0.00 0.52 -1.09 -4.79 118.95 113.94 1u8c s ARG 438 Ca 0.73 -0.28 -0.29 0.00 -0.52 0.00 0.00 55.73 55.36 1u8c s ARG 438 Cb -0.41 -2.81 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 1u8c s ARG 438 CO 0.48 0.37 1.30 -2.14 0.02 0.00 0.00 175.30 175.33 1u8c s PRO 439 N -3.35 4.04 0.40 3.54 0.02 -1.26 -4.86 135.00 133.52 1u8c s PRO 439 Ca 0.39 1.43 -0.26 0.00 0.02 0.00 0.00 61.00 62.59 1u8c s PRO 439 Cb -0.11 -3.84 -0.09 0.00 0.02 0.00 0.00 34.50 30.48 1u8c s PRO 439 CO 0.29 -0.96 1.23 0.08 -0.33 0.00 0.00 177.00 177.31 1u8c s VAL 440 N 4.06 2.91 -0.12 3.83 1.01 -1.26 -2.88 120.40 127.95 1u8c s VAL 440 Ca 0.56 0.80 0.01 0.00 0.00 0.00 0.00 61.98 63.34 1u8c s VAL 440 Cb -0.19 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.75 1u8c s VAL 440 CO 0.20 0.10 -0.12 -0.63 0.00 0.00 0.00 175.10 174.65 1u8c s ILE 441 N -1.32 1.36 -0.19 2.22 1.01 0.84 -4.14 121.20 120.99 1u8c s ILE 441 Ca 0.56 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.56 1u8c s ILE 441 Cb -0.34 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1u8c s ILE 441 CO 0.44 0.42 0.25 -0.89 0.00 0.00 0.00 174.94 175.16 1u8c s THR 442 N 1.38 5.32 0.05 2.92 2.01 -1.25 -1.98 115.64 124.09 1u8c s THR 442 Ca 0.01 0.43 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1u8c s THR 442 Cb -0.13 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1u8c s THR 442 CO -0.07 0.37 -0.15 0.68 -0.69 0.00 0.00 174.62 174.77 1u8c s VAL 443 N 0.65 1.18 0.04 3.82 -7.23 -1.26 -2.92 120.40 114.68 1u8c s VAL 443 Ca 0.13 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1u8c s VAL 443 Cb -0.13 -1.08 -0.02 0.00 0.56 0.00 0.00 36.38 35.71 1u8c s VAL 443 CO 0.03 -0.02 -0.22 0.20 -0.31 0.00 0.00 175.10 174.78 1u8c s ASN 444 N -1.27 2.64 0.04 4.85 0.02 0.49 -4.97 114.94 116.74 1u8c s ASN 444 Ca 0.02 -0.52 0.07 0.00 -1.02 0.00 0.00 52.86 51.40 1u8c s ASN 444 Cb -0.08 -0.23 -0.02 0.00 0.02 0.00 0.00 41.25 40.93 1u8c s ASN 444 CO 0.02 0.20 -0.19 0.00 0.02 0.00 0.00 177.10 177.14 1u8c s ALA 445 N -0.76 1.65 0.13 0.60 0.00 -1.26 -0.09 121.76 122.02 1u8c s ALA 445 Ca 0.09 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.14 1u8c s ALA 445 Cb -0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.67 1u8c s ALA 445 CO 0.01 0.36 -0.25 0.20 0.00 0.00 0.00 175.76 176.09 1u8c s GLY 446 N -1.13 1.52 -0.30 0.00 0.00 0.21 -4.99 107.32 102.63 1u8c s GLY 446 Ca 0.06 -1.44 -0.02 0.00 0.00 0.00 0.00 44.72 43.32 1u8c s GLY 446 CO 0.02 -1.43 0.62 -2.27 0.00 0.00 0.00 173.10 170.03 1u8c s LEU 447 N -2.10 -1.35 0.04 0.66 2.96 -1.26 -2.17 118.68 115.47 1u8c s LEU 447 Ca 0.13 0.90 0.03 0.00 -0.22 0.00 0.00 54.13 54.96 1u8c s LEU 447 Cb -0.10 2.15 -0.02 0.00 0.50 0.00 0.00 46.19 48.72 1u8c s LEU 447 CO 0.06 -0.25 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.05 1u8c s GLU 448 N 2.86 0.58 -0.23 1.98 2.56 -0.97 -4.66 118.70 120.83 1u8c s GLU 448 Ca 0.19 -0.75 -0.09 0.00 0.00 0.00 0.00 54.97 54.32 1u8c s GLU 448 Cb -0.15 -0.40 -0.05 0.00 2.00 0.00 0.00 34.13 35.53 1u8c s GLU 448 CO -0.21 0.08 0.12 0.08 -0.56 0.00 0.00 175.26 174.78 1u8c s VAL 449 N -1.26 5.09 0.00 3.70 1.01 -1.26 -0.43 120.40 127.24 1u8c s VAL 449 Ca -0.08 0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1u8c s VAL 449 Cb -0.09 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1u8c s VAL 449 CO 0.01 0.37 0.76 0.00 0.00 0.00 0.00 175.10 176.24 1u8c n TYR 450 N 4.18 0.00 -3.37 5.22 -0.00 0.64 -4.13 117.16 119.70 1u8c n TYR 450 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.90 57.37 1u8c n TYR 450 Cb 0.52 -0.26 -0.06 0.00 -0.00 0.00 0.00 39.34 39.54 1u8c n TYR 450 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 1u8c s PRO 451 N -2.04 4.30 -0.02 2.98 0.02 -1.26 -4.92 135.00 134.05 1u8c s PRO 451 Ca 0.00 0.38 -0.22 0.00 0.02 0.00 0.00 61.00 61.18 1u8c s PRO 451 Cb 0.00 -3.42 -0.16 0.00 0.02 0.00 0.00 34.50 30.95 1u8c s PRO 451 CO 0.00 0.21 1.01 1.03 -0.33 0.00 0.00 177.00 178.93 1u8c h SER 452 N 6.57 -0.28 -3.10 2.53 0.87 -1.97 -3.42 113.55 114.75 1u8c h SER 452 Ca -0.42 -0.25 -0.76 0.00 -1.23 0.00 0.00 61.79 59.14 1u8c h SER 452 Cb 1.18 0.07 -0.24 0.00 -0.44 0.00 0.00 62.40 62.97 1u8c h SER 452 CO 0.75 0.18 -0.23 -0.63 -0.53 0.00 0.00 176.83 176.37 1u8c s ILE 453 N -3.96 5.19 0.03 2.23 -1.09 -1.26 -3.49 121.20 118.85 1u8c s ILE 453 Ca -0.13 -1.49 -0.30 0.00 -2.23 0.00 0.00 60.65 56.50 1u8c s ILE 453 Cb 0.01 -4.32 -0.08 0.00 -1.58 0.00 0.00 42.46 36.49 1u8c s ILE 453 CO 0.49 -0.86 1.72 -0.76 -1.23 0.00 0.00 174.94 174.30 1u8c s LEU 454 N 1.60 4.37 -0.44 2.97 1.43 -0.78 -4.66 118.68 123.16 1u8c s LEU 454 Ca 0.03 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.43 1u8c s LEU 454 Cb -0.30 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.42 1u8c s LEU 454 CO 0.03 -0.93 0.37 0.21 0.23 0.00 0.00 176.35 176.26 1u8c s ASN 455 N 3.06 6.14 0.23 2.29 3.04 -1.26 0.58 114.94 129.01 1u8c s ASN 455 Ca 0.77 -1.08 -0.15 0.00 0.04 0.00 0.00 52.86 52.44 1u8c s ASN 455 Cb -0.39 -2.18 0.26 0.00 -1.54 0.00 0.00 41.25 37.40 1u8c s ASN 455 CO 0.33 -0.58 1.48 0.00 -3.04 0.00 0.00 177.10 175.30 1u8c n GLN 456 N 5.28 -0.20 0.00 0.43 1.13 -1.26 -3.56 117.38 119.19 1u8c n GLN 456 Ca -0.11 1.47 0.00 0.00 -1.94 0.00 0.00 57.00 56.42 1u8c n GLN 456 Cb 0.45 -2.19 0.00 0.00 0.11 0.00 0.00 30.24 28.61 1u8c n GLN 456 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1u8c n ASP 457 N -5.43 0.00 -1.76 1.08 2.03 -1.26 -4.73 116.55 106.49 1u8c n ASP 457 Ca 0.11 0.04 -0.23 0.00 0.52 0.00 0.00 54.79 55.23 1u8c n ASP 457 Cb 0.40 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.75 1u8c n ASP 457 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1u8c n ASN 458 N -0.06 0.28 -3.35 1.67 5.15 -1.23 -4.71 115.26 113.00 1u8c n ASN 458 Ca 0.00 0.24 -0.26 0.00 -0.60 0.00 0.00 54.58 53.97 1u8c n ASN 458 Cb 0.00 -0.37 -0.09 0.00 -0.53 0.00 0.00 39.78 38.79 1u8c n ASN 458 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1u8c n LYS 459 N 3.14 0.24 -0.92 1.20 2.85 -1.26 -4.41 118.16 118.99 1u8c n LYS 459 Ca 0.23 -3.12 -0.16 0.00 -1.05 0.00 0.00 58.31 54.21 1u8c n LYS 459 Cb -0.01 -1.63 0.12 0.00 -0.65 0.00 0.00 35.03 32.86 1u8c n LYS 459 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1u8c n THR 460 N 2.74 0.00 -1.85 0.58 -2.24 -1.25 -3.28 114.28 108.97 1u8c n THR 460 Ca 0.29 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1u8c n THR 460 Cb 0.49 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1u8c n THR 460 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u8c s SER 462 N -0.42 6.22 0.00 0.00 0.15 -1.26 -0.94 113.70 117.45 1u8c s SER 462 Ca 0.00 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1u8c s SER 462 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1u8c s SER 462 CO 0.00 0.09 0.00 0.18 1.20 0.00 0.00 173.24 174.71 1u8c n LEU 463 N -0.27 0.00 0.00 3.45 4.77 -0.01 -4.88 117.00 120.05 1u8c n LEU 463 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1u8c n LEU 463 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1u8c n LEU 463 CO 0.49 -0.49 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 1u8c n PRO 464 N 0.00 0.00 0.00 3.23 -0.04 -1.26 -4.78 135.00 132.15 1u8c n PRO 464 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1u8c n PRO 464 Cb 0.00 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.34 1u8c n PRO 464 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u8c n GLY 465 N 2.26 -1.15 3.55 0.55 0.00 -1.26 -4.38 105.19 104.76 1u8c n GLY 465 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u8c n GLY 465 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u8c s THR 466 N -0.43 3.15 -0.82 2.61 2.01 -1.26 -4.80 115.64 116.10 1u8c s THR 466 Ca 0.00 -0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1u8c s THR 466 Cb 0.00 -3.36 -0.19 0.00 0.01 0.00 0.00 72.50 68.96 1u8c s THR 466 CO 0.00 -0.35 2.15 0.00 -0.69 0.00 0.00 174.62 175.73 1u8c n ALA 467 N 15.59 0.49 -3.85 7.40 0.00 -1.26 -4.52 120.51 134.35 1u8c n ALA 467 Ca 0.36 -1.42 -0.25 0.00 0.00 0.00 0.00 53.44 52.13 1u8c n ALA 467 Cb 0.51 -2.82 -0.17 0.00 0.00 0.00 0.00 19.45 16.96 1u8c n ALA 467 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u8c s LEU 468 N 10.74 0.97 0.38 0.00 0.20 -1.26 -4.92 118.68 124.79 1u8c s LEU 468 Ca 0.89 -0.22 -0.28 0.00 0.69 0.00 0.00 54.13 55.21 1u8c s LEU 468 Cb -0.26 -0.70 -0.10 0.00 -0.43 0.00 0.00 46.19 44.71 1u8c s LEU 468 CO 0.20 -0.14 1.42 -0.54 -0.29 0.00 0.00 176.35 176.99 1u8c s LYS 469 N 1.79 4.10 0.09 1.98 3.01 -1.26 -0.83 119.74 128.62 1u8c s LYS 469 Ca 0.05 2.42 -0.07 0.00 -1.01 0.00 0.00 55.97 57.36 1u8c s LYS 469 Cb -0.12 -2.93 -0.01 0.00 -1.01 0.00 0.00 37.83 33.76 1u8c s LYS 469 CO -0.07 -0.48 0.16 0.14 0.51 0.00 0.00 175.35 175.61 1u8c s VAL 470 N -1.15 0.15 -0.80 3.17 -7.23 -0.11 -4.86 120.40 109.56 1u8c s VAL 470 Ca 0.53 -1.31 -0.26 0.00 -1.81 0.00 0.00 61.98 59.13 1u8c s VAL 470 Cb -0.44 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.09 1u8c s VAL 470 CO 0.58 -0.66 1.39 -0.55 -0.31 0.00 0.00 175.10 175.56 1u8c s SER 471 N -2.89 6.13 0.76 4.85 0.15 -1.26 -3.81 113.70 117.64 1u8c s SER 471 Ca 0.07 -0.64 -0.04 0.00 0.70 0.00 0.00 55.95 56.05 1u8c s SER 471 Cb 0.05 -2.56 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 1u8c s SER 471 CO -0.09 -1.84 0.52 0.00 1.20 0.00 0.00 173.24 173.03 1u8c s PHE 473 N -1.76 -0.08 0.22 0.00 -0.12 0.25 -4.86 117.98 111.62 1u8c s PHE 473 Ca 0.32 0.14 0.08 0.00 -0.05 0.00 0.00 56.93 57.41 1u8c s PHE 473 Cb -0.01 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1u8c s PHE 473 CO 0.22 -0.08 0.07 -0.80 -0.05 0.00 0.00 175.22 174.58 1u8c s ASN 474 N -1.05 4.99 -0.04 1.98 -0.87 -1.26 0.19 114.94 118.88 1u8c s ASN 474 Ca 0.07 -0.40 0.06 0.00 -1.57 0.00 0.00 52.86 51.03 1u8c s ASN 474 Cb -0.01 -1.12 -0.02 0.00 -0.02 0.00 0.00 41.25 40.08 1u8c s ASN 474 CO -0.07 0.03 -0.22 -0.69 -2.57 0.00 0.00 177.10 173.58 1u8c s VAL 475 N -2.02 2.41 -0.37 1.60 1.01 -0.64 0.23 120.40 122.62 1u8c s VAL 475 Ca 0.30 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1u8c s VAL 475 Cb -0.08 -1.88 0.13 0.00 0.00 0.00 0.00 36.38 34.54 1u8c s VAL 475 CO 0.21 0.58 0.19 -0.60 0.00 0.00 0.00 175.10 175.48 1u8c s ARG 476 N -0.58 0.84 -0.54 2.72 3.52 0.42 -1.60 118.95 123.73 1u8c s ARG 476 Ca 0.09 -1.48 -0.16 0.00 -0.13 0.00 0.00 55.73 54.05 1u8c s ARG 476 Cb -0.11 -1.84 0.13 0.00 -1.56 0.00 0.00 34.95 31.57 1u8c s ARG 476 CO 0.00 -1.13 0.51 -0.59 -0.81 0.00 0.00 175.30 173.28 1u8c s PHE 477 N 0.99 3.24 0.25 5.12 -0.12 -1.15 -2.29 117.98 124.01 1u8c s PHE 477 Ca 0.15 -1.26 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 1u8c s PHE 477 Cb -0.22 -3.79 -0.03 0.00 -0.63 0.00 0.00 43.02 38.35 1u8c s PHE 477 CO -0.08 -1.03 0.39 0.00 -0.05 0.00 0.00 175.22 174.46 1u8c s LEU 479 N -3.90 1.73 -0.05 0.00 2.96 -1.20 0.66 118.68 118.88 1u8c s LEU 479 Ca 0.36 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.29 1u8c s LEU 479 Cb -0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.46 1u8c s LEU 479 CO 0.30 -0.02 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.36 1u8c s LYS 480 N 0.30 2.17 0.00 1.98 2.20 0.87 -3.10 119.74 124.15 1u8c s LYS 480 Ca -0.03 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1u8c s LYS 480 Cb -0.05 -1.84 0.00 0.00 -1.51 0.00 0.00 37.83 34.43 1u8c s LYS 480 CO -0.01 0.29 0.00 0.00 -0.36 0.00 0.00 175.35 175.27 1u8c n ALA 481 N 3.11 0.00 0.00 3.13 0.00 -1.26 0.19 120.51 125.68 1u8c n ALA 481 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1u8c n ALA 481 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1u8c n ALA 481 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1u8c n ASP 482 N 0.00 -1.04 -0.29 0.00 -0.08 -1.15 -4.19 116.55 109.80 1u8c n ASP 482 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1u8c n ASP 482 Cb 0.00 0.62 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1u8c n ASP 482 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u8c n GLY 483 N 0.62 5.12 4.01 0.27 0.00 -1.26 -3.74 105.19 110.20 1u8c n GLY 483 Ca 0.00 -1.55 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 1u8c n GLY 483 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8c s LYS 484 N 0.22 2.61 1.51 1.61 1.02 -1.26 -4.95 119.74 120.50 1u8c s LYS 484 Ca 0.00 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.74 1u8c s LYS 484 Cb 0.00 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1u8c s LYS 484 CO 0.00 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 1u8c n GLY 485 N -2.06 0.25 3.10 -3.33 0.00 -1.26 -4.61 105.19 97.27 1u8c n GLY 485 Ca 0.10 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1u8c n GLY 485 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u8c s VAL 486 N 0.00 2.52 0.00 1.61 1.01 -1.26 -4.70 120.40 119.57 1u8c s VAL 486 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.33 1u8c s VAL 486 Cb 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1u8c s VAL 486 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 175.10 174.95 1u8c n LEU 487 N 4.48 0.00 0.00 3.92 -0.00 -1.26 -4.77 117.00 119.37 1u8c n LEU 487 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1u8c n LEU 487 Cb 0.42 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1u8c n LEU 487 CO 0.24 -0.01 0.00 -2.65 -0.00 0.00 0.00 177.39 174.96 1u8c n PRO 488 N -0.98 0.00 0.00 1.47 -0.02 -1.26 -4.61 135.00 129.60 1u8c n PRO 488 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1u8c n PRO 488 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1u8c n PRO 488 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1u8c n ARG 489 N 0.00 0.00 0.00 -0.52 5.12 -1.26 -4.56 116.66 115.44 1u8c n ARG 489 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1u8c n ARG 489 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1u8c n ARG 489 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1u8c n LYS 490 N 2.43 0.00 -2.67 5.56 3.00 -1.26 -4.08 118.16 121.14 1u8c n LYS 490 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.26 1u8c n LYS 490 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 34.99 1u8c n LYS 490 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1u8c n LEU 491 N 0.00 -5.93 -3.92 3.14 4.32 -1.26 -3.69 117.00 109.66 1u8c n LEU 491 Ca 0.00 2.15 -0.21 0.00 -0.02 0.00 0.00 56.01 57.93 1u8c n LEU 491 Cb 0.00 -3.04 -0.16 0.00 -1.62 0.00 0.00 43.42 38.60 1u8c n LEU 491 CO 0.00 -3.90 -0.42 0.20 -1.22 0.00 0.00 177.39 172.05 1u8c s ASN 492 N -0.56 1.13 -0.16 -1.43 -0.87 -1.26 -2.19 114.94 109.60 1u8c s ASN 492 Ca -0.25 -0.17 -0.01 0.00 -1.57 0.00 0.00 52.86 50.86 1u8c s ASN 492 Cb 0.02 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.25 40.70 1u8c s ASN 492 CO 0.67 -0.04 -0.10 -0.36 -2.57 0.00 0.00 177.10 174.71 1u8c s PHE 493 N 0.87 2.87 -0.58 2.20 0.40 -1.26 -3.48 117.98 118.99 1u8c s PHE 493 Ca -0.12 -0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 55.24 1u8c s PHE 493 Cb -0.15 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.50 1u8c s PHE 493 CO 0.01 -0.31 0.98 -1.14 0.70 0.00 0.00 175.22 175.47 1u8c s GLN 494 N 0.69 3.30 0.00 0.44 2.00 -0.45 -2.87 119.66 122.77 1u8c s GLN 494 Ca -0.05 -0.31 0.00 0.00 -2.00 0.00 0.00 55.36 53.00 1u8c s GLN 494 Cb -0.15 -4.08 0.00 0.00 0.80 0.00 0.00 33.01 29.58 1u8c s GLN 494 CO 0.02 -1.59 0.00 0.28 -0.50 0.00 0.00 175.29 173.50 1u8c n VAL 495 N 6.20 0.00 -3.65 1.34 0.31 -0.60 -2.56 118.33 119.37 1u8c n VAL 495 Ca 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1u8c n VAL 495 Cb 0.47 -1.46 -0.07 0.00 -0.91 0.00 0.00 33.84 31.88 1u8c n VAL 495 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1u8c s GLU 496 N -2.40 0.03 0.16 5.55 2.56 -1.09 -3.91 118.70 119.59 1u8c s GLU 496 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 54.97 55.06 1u8c s GLU 496 Cb 0.00 0.01 -0.04 0.00 2.00 0.00 0.00 34.13 36.10 1u8c s GLU 496 CO 0.00 -0.00 -0.11 -0.51 -0.56 0.00 0.00 175.26 174.07 1u8c s LEU 497 N 0.14 2.54 -0.07 2.70 1.02 0.48 -2.22 118.68 123.26 1u8c s LEU 497 Ca 0.06 -1.01 -0.15 0.00 0.02 0.00 0.00 54.13 53.05 1u8c s LEU 497 Cb -0.05 -0.45 0.03 0.00 0.02 0.00 0.00 46.19 45.75 1u8c s LEU 497 CO -0.16 -0.28 0.35 -0.76 0.02 0.00 0.00 176.35 175.53 1u8c s LEU 498 N -3.21 0.67 -0.12 1.79 1.43 0.13 -2.98 118.68 116.38 1u8c s LEU 498 Ca 0.18 0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1u8c s LEU 498 Cb 0.01 1.33 -0.02 0.00 0.03 0.00 0.00 46.19 47.55 1u8c s LEU 498 CO 0.02 -0.32 -0.11 -0.76 0.23 0.00 0.00 176.35 175.41 1u8c s LEU 499 N -0.69 2.84 -0.61 1.79 2.01 -0.97 -0.52 118.68 122.53 1u8c s LEU 499 Ca -0.08 -0.26 -0.01 0.00 0.01 0.00 0.00 54.13 53.80 1u8c s LEU 499 Cb -0.04 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.52 1u8c s LEU 499 CO 0.03 0.20 0.52 0.47 1.01 0.00 0.00 176.35 178.58 1u8c n ASP 500 N 3.30 -2.42 0.22 2.29 8.00 -0.51 -4.84 116.55 122.60 1u8c n ASP 500 Ca -0.18 -0.33 0.05 0.00 0.71 0.00 0.00 54.79 55.04 1u8c n ASP 500 Cb 0.53 -2.93 0.51 0.00 -0.02 0.00 0.00 41.12 39.20 1u8c n ASP 500 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1u8c h LYS 501 N -0.92 0.00 0.00 -1.24 1.63 -1.83 0.23 116.57 114.44 1u8c h LYS 501 Ca -0.31 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1u8c h LYS 501 Cb 1.18 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1u8c h LYS 501 CO 0.26 0.18 0.00 -0.11 -3.45 0.00 0.00 179.45 176.32 1u8c n LEU 502 N -4.33 0.00 0.02 5.20 7.94 -1.26 -2.70 117.00 121.87 1u8c n LEU 502 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1u8c n LEU 502 Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1u8c n LEU 502 CO 0.36 0.00 -0.26 0.29 -1.11 0.00 0.00 177.39 176.68 1u8c n LYS 503 N -0.52 0.00 0.00 1.96 4.76 0.73 -5.10 118.16 119.99 1u8c n LYS 503 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1u8c n LYS 503 Cb 0.00 -0.31 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 1u8c n LYS 503 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1u8c n GLN 504 N -2.94 0.00 -2.65 1.97 6.02 -0.77 -4.56 117.38 114.46 1u8c n GLN 504 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1u8c n GLN 504 Cb 0.26 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.47 1u8c n GLN 504 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1u8c s LYS 505 N 0.00 4.11 0.00 -1.09 2.36 -1.26 -4.30 119.74 119.56 1u8c s LYS 505 Ca 0.00 1.33 0.00 0.00 -2.55 0.00 0.00 55.97 54.75 1u8c s LYS 505 Cb 0.00 -2.32 0.00 0.00 -1.05 0.00 0.00 37.83 34.46 1u8c s LYS 505 CO 0.00 -0.16 0.00 0.41 1.55 0.00 0.00 175.35 177.15 1u8c n GLY 506 N -0.10 1.79 7.00 5.54 0.00 -1.26 -5.05 105.19 113.10 1u8c n GLY 506 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1u8c n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8c n ALA 507 N -0.67 0.00 -3.23 4.61 0.00 -1.26 -4.88 120.51 115.07 1u8c n ALA 507 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1u8c n ALA 507 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1u8c n ALA 507 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1u8c n ILE 508 N 0.00 -2.13 -2.90 0.00 2.08 -1.26 -4.86 119.36 110.29 1u8c n ILE 508 Ca 0.00 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.88 1u8c n ILE 508 Cb 0.00 -3.31 -0.03 0.00 -0.75 0.00 0.00 39.64 35.55 1u8c n ILE 508 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1u8c s ARG 509 N -5.88 3.28 0.00 0.38 1.81 -1.26 -4.88 118.95 112.40 1u8c s ARG 509 Ca 0.40 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.22 1u8c s ARG 509 Cb -0.18 -4.48 0.00 0.00 -0.45 0.00 0.00 34.95 29.84 1u8c s ARG 509 CO 0.50 -1.79 0.86 0.54 -0.68 0.00 0.00 175.30 174.73 1u8c n ARG 510 N 7.22 0.00 -4.21 3.54 1.74 -1.26 -4.67 116.66 119.01 1u8c n ARG 510 Ca 0.06 0.36 -0.17 0.00 -0.77 0.00 0.00 57.85 57.32 1u8c n ARG 510 Cb 0.46 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.28 1u8c n ARG 510 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u8c s ALA 511 N -2.71 0.86 0.04 7.54 0.00 -1.26 -1.16 121.76 125.06 1u8c s ALA 511 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.14 1u8c s ALA 511 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1u8c s ALA 511 CO 0.00 0.12 0.20 -0.51 0.00 0.00 0.00 175.76 175.58 1u8c s LEU 512 N -1.15 1.32 0.25 0.00 1.43 -0.67 -4.45 118.68 115.42 1u8c s LEU 512 Ca -0.02 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 1u8c s LEU 512 Cb -0.08 0.98 -0.09 0.00 0.03 0.00 0.00 46.19 47.04 1u8c s LEU 512 CO 0.01 -0.55 1.03 -0.36 0.23 0.00 0.00 176.35 176.71 1u8c s PHE 513 N -2.44 3.76 0.00 0.29 2.99 -0.10 -0.37 117.98 122.11 1u8c s PHE 513 Ca -0.06 1.79 0.00 0.00 0.00 0.00 0.00 56.93 58.66 1u8c s PHE 513 Cb -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 43.02 39.85 1u8c s PHE 513 CO -0.03 -0.11 0.00 -0.11 -0.00 0.00 0.00 175.22 174.97 1u8c n LEU 514 N 1.42 0.00 0.14 -0.37 7.94 0.56 0.12 117.00 126.81 1u8c n LEU 514 Ca -0.01 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 54.99 1u8c n LEU 514 Cb 0.46 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.93 1u8c n LEU 514 CO 0.52 0.00 0.81 -1.22 -1.11 0.00 0.00 177.39 176.39 1u8c n TYR 515 N 0.00 0.68 -0.00 1.96 4.02 -1.26 -2.98 117.16 119.57 1u8c n TYR 515 Ca 0.00 0.33 -0.20 0.00 -0.01 0.00 0.00 57.90 58.02 1u8c n TYR 515 Cb 0.00 -1.04 -0.14 0.00 -0.02 0.00 0.00 39.34 38.14 1u8c n TYR 515 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1u8c n SER 516 N -2.18 2.03 -0.90 7.72 2.88 -0.94 -4.96 113.62 117.27 1u8c n SER 516 Ca -0.01 0.20 -0.12 0.00 -1.33 0.00 0.00 58.87 57.62 1u8c n SER 516 Cb 0.07 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 62.70 1u8c n SER 516 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1u8c n ARG 517 N -3.44 -1.12 -4.19 -1.46 1.74 0.33 -4.94 116.66 103.58 1u8c n ARG 517 Ca -0.32 0.88 -0.28 0.00 -0.77 0.00 0.00 57.85 57.37 1u8c n ARG 517 Cb 1.05 -5.00 -0.08 0.00 -1.02 0.00 0.00 32.46 27.40 1u8c n ARG 517 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u8c s SER 518 N -2.66 4.78 -0.00 0.55 0.15 -1.26 -4.77 113.70 110.49 1u8c s SER 518 Ca 0.00 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.35 1u8c s SER 518 Cb 0.00 -1.03 0.16 0.00 -1.71 0.00 0.00 66.02 63.45 1u8c s SER 518 CO 0.00 0.12 1.13 -0.81 1.20 0.00 0.00 173.24 174.87 1u8c n PRO 519 N 0.11 1.44 -3.64 5.44 -0.04 -1.26 -0.92 135.00 136.12 1u8c n PRO 519 Ca -0.10 -0.67 -0.06 0.00 -0.04 0.00 0.00 63.50 62.63 1u8c n PRO 519 Cb 0.54 -1.16 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 1u8c n PRO 519 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1u8c s SER 520 N -0.98 -0.96 0.17 3.54 1.04 -1.26 -2.28 113.70 112.97 1u8c s SER 520 Ca 0.12 1.50 0.05 0.00 0.48 0.00 0.00 55.95 58.10 1u8c s SER 520 Cb 0.07 1.53 -0.05 0.00 0.10 0.00 0.00 66.02 67.67 1u8c s SER 520 CO 0.08 -0.23 -0.10 -2.28 0.98 0.00 0.00 173.24 171.69 1u8c s HIS 521 N 1.84 1.42 0.30 5.02 2.46 -1.16 -4.99 115.29 120.18 1u8c s HIS 521 Ca -0.09 -0.73 0.01 0.00 0.47 0.00 0.00 55.06 54.72 1u8c s HIS 521 Cb -0.06 -0.72 -0.02 0.00 -0.13 0.00 0.00 32.58 31.65 1u8c s HIS 521 CO -0.20 0.14 0.31 -1.54 -2.47 0.00 0.00 174.74 170.99 1u8c s SER 522 N -3.23 0.99 0.00 9.88 1.04 -1.26 -0.39 113.70 120.73 1u8c s SER 522 Ca 0.20 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 55.09 1u8c s SER 522 Cb 0.02 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1u8c s SER 522 CO 0.03 -1.08 0.00 1.17 0.98 0.00 0.00 173.24 174.34 1u8c n LYS 523 N -0.51 0.00 -1.51 4.02 4.81 -1.25 -4.96 118.16 118.76 1u8c n LYS 523 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1u8c n LYS 523 Cb 0.63 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.68 1u8c n LYS 523 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1u8c n ASN 524 N -0.07 1.95 0.00 3.14 3.02 -1.26 -1.56 115.26 120.49 1u8c n ASN 524 Ca 0.00 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1u8c n ASN 524 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 1u8c n ASN 524 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1u8c n MET 525 N -0.02 0.00 0.00 3.52 2.81 -1.14 -4.77 117.12 117.53 1u8c n MET 525 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1u8c n MET 525 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1u8c n MET 525 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1u8c n THR 526 N 0.00 -0.11 -3.01 2.03 -1.04 -1.26 -4.91 114.28 105.98 1u8c n THR 526 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1u8c n THR 526 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1u8c n THR 526 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1u8c n ILE 527 N 1.28 0.00 0.00 12.58 -5.35 -0.93 -4.74 119.36 122.20 1u8c n ILE 527 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1u8c n ILE 527 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 1u8c n ILE 527 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1u8c n SER 528 N 0.00 0.00 -4.61 7.28 2.88 -1.26 -4.36 113.62 113.55 1u8c n SER 528 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1u8c n SER 528 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1u8c n SER 528 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1u8c s ARG 529 N 0.00 3.36 -0.20 -1.46 3.52 -1.26 -3.96 118.95 118.95 1u8c s ARG 529 Ca 0.00 2.03 -0.41 0.00 -0.13 0.00 0.00 55.73 57.22 1u8c s ARG 529 Cb 0.00 -4.30 -0.18 0.00 -1.56 0.00 0.00 34.95 28.91 1u8c s ARG 529 CO 0.00 -1.84 1.46 0.41 -0.81 0.00 0.00 175.30 174.52 1u8c n GLY 530 N 5.45 0.32 0.00 8.12 0.00 -1.26 -1.83 105.19 115.99 1u8c n GLY 530 Ca 0.27 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.15 1u8c n GLY 530 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8c n GLY 531 N 3.14 0.88 2.22 -0.02 0.00 -1.26 -4.98 105.19 105.17 1u8c n GLY 531 Ca 0.24 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1u8c n GLY 531 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u8c n LEU 532 N 0.00 6.44 -4.56 0.99 0.00 -0.76 -4.88 117.00 114.23 1u8c n LEU 532 Ca 0.00 -3.52 -0.24 0.00 0.00 0.00 0.00 56.01 52.25 1u8c n LEU 532 Cb 0.00 -1.38 -0.05 0.00 0.00 0.00 0.00 43.42 41.99 1u8c n LEU 532 CO 0.00 1.64 1.50 0.00 0.00 0.00 0.00 177.39 180.53 1u8c s MET 533 N 1.85 1.97 -0.14 1.96 0.23 -1.26 -4.79 119.30 119.12 1u8c s MET 533 Ca 0.62 0.64 -0.29 0.00 -1.03 0.00 0.00 55.69 55.63 1u8c s MET 533 Cb 0.22 -4.73 -0.04 0.00 -1.53 0.00 0.00 34.83 28.75 1u8c s MET 533 CO -0.03 -3.81 1.59 -1.14 -2.03 0.00 0.00 175.02 169.60 1u8c s GLN 534 N 8.27 4.01 0.59 3.16 0.74 -1.18 -4.66 119.66 130.59 1u8c s GLN 534 Ca 0.88 1.89 -0.00 0.00 0.05 0.00 0.00 55.36 58.18 1u8c s GLN 534 Cb -0.13 -3.98 0.05 0.00 1.10 0.00 0.00 33.01 30.05 1u8c s GLN 534 CO 0.13 -1.03 0.83 0.00 -0.55 0.00 0.00 175.29 174.67 1u8c s GLU 536 N -4.88 0.44 0.18 0.00 2.56 -1.24 -5.00 118.70 110.76 1u8c s GLU 536 Ca 0.59 1.09 0.05 0.00 0.00 0.00 0.00 54.97 56.69 1u8c s GLU 536 Cb -0.10 0.33 -0.04 0.00 2.00 0.00 0.00 34.13 36.33 1u8c s GLU 536 CO 0.40 -0.21 0.20 -1.21 -0.56 0.00 0.00 175.26 173.88 1u8c s GLU 537 N 2.26 3.07 0.10 4.30 2.02 -1.26 -2.95 118.70 126.24 1u8c s GLU 537 Ca -0.06 -0.83 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 1u8c s GLU 537 Cb -0.10 -2.73 -0.03 0.00 0.10 0.00 0.00 34.13 31.37 1u8c s GLU 537 CO -0.15 0.48 0.09 -0.51 0.02 0.00 0.00 175.26 175.19 1u8c s LEU 538 N -3.31 1.79 -0.05 1.80 2.01 -0.63 -5.01 118.68 115.27 1u8c s LEU 538 Ca 0.32 -0.99 0.03 0.00 0.01 0.00 0.00 54.13 53.50 1u8c s LEU 538 Cb -0.10 0.55 0.01 0.00 0.01 0.00 0.00 46.19 46.66 1u8c s LEU 538 CO 0.25 -0.72 -0.13 -0.63 1.01 0.00 0.00 176.35 176.13 1u8c s ILE 539 N -3.96 1.19 -0.01 -0.59 1.09 -1.26 -1.63 121.20 116.03 1u8c s ILE 539 Ca 0.14 -0.54 0.02 0.00 -1.10 0.00 0.00 60.65 59.17 1u8c s ILE 539 Cb 0.06 -1.06 -0.00 0.00 -1.06 0.00 0.00 42.46 40.40 1u8c s ILE 539 CO -0.04 0.36 -0.07 0.00 -0.10 0.00 0.00 174.94 175.08 1u8c s ALA 540 N 0.40 0.67 0.41 9.38 0.00 0.13 0.21 121.76 132.95 1u8c s ALA 540 Ca -0.10 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.64 1u8c s ALA 540 Cb -0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 1u8c s ALA 540 CO 0.03 0.13 0.32 1.52 0.00 0.00 0.00 175.76 177.77 1u8c s TYR 541 N -0.00 2.70 -0.08 0.00 1.13 0.50 0.84 117.35 122.43 1u8c s TYR 541 Ca 0.00 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.16 1u8c s TYR 541 Cb -0.05 -2.10 -0.03 0.00 -1.10 0.00 0.00 41.96 38.69 1u8c s TYR 541 CO -0.00 -0.03 -0.07 -1.17 -2.51 0.00 0.00 175.55 171.77 1u8c s LEU 542 N -4.07 3.15 1.12 -3.49 2.96 -0.67 -1.66 118.68 116.02 1u8c s LEU 542 Ca 0.46 -0.06 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 1u8c s LEU 542 Cb -0.02 -1.70 0.18 0.00 0.50 0.00 0.00 46.19 45.16 1u8c s LEU 542 CO 0.26 0.32 0.52 -1.14 -1.32 0.00 0.00 176.35 175.00 1u8c n ARG 543 N 2.48 -1.82 -2.36 1.98 0.63 -0.31 -4.60 116.66 112.67 1u8c n ARG 543 Ca -0.18 -0.50 -0.39 0.00 -0.92 0.00 0.00 57.85 55.85 1u8c n ARG 543 Cb 0.53 -1.94 -0.03 0.00 0.45 0.00 0.00 32.46 31.46 1u8c n ARG 543 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1u8c s ASP 544 N -2.13 6.91 0.65 6.15 3.68 -1.26 -4.88 116.67 125.78 1u8c s ASP 544 Ca 0.62 2.35 0.15 0.00 2.13 0.00 0.00 52.55 57.80 1u8c s ASP 544 Cb -0.19 -2.62 0.74 0.00 -1.45 0.00 0.00 42.92 39.39 1u8c s ASP 544 CO 0.65 -0.41 1.39 -0.33 0.13 0.00 0.00 175.17 176.61 1u8c h GLU 545 N 3.26 0.00 0.00 4.34 5.08 -1.91 0.15 114.58 125.51 1u8c h GLU 545 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1u8c h GLU 545 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1u8c h GLU 545 CO 0.65 0.00 -0.71 -1.13 -1.00 0.00 0.00 179.01 176.82 1u8c n SER 546 N -2.81 0.66 -0.12 1.42 3.41 -1.26 -4.13 113.62 110.79 1u8c n SER 546 Ca 0.03 -0.45 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1u8c n SER 546 Cb 0.85 0.53 0.37 0.00 -0.26 0.00 0.00 64.21 65.70 1u8c n SER 546 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u8c n GLU 547 N -1.57 0.45 -3.68 4.33 1.02 0.54 -4.91 120.64 116.81 1u8c n GLU 547 Ca 0.05 -0.24 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 1u8c n GLU 547 Cb 0.35 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 1u8c n GLU 547 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1u8c s PHE 548 N -2.72 -0.27 -0.02 -0.32 -0.12 -1.25 -5.02 117.98 108.26 1u8c s PHE 548 Ca 0.19 0.29 0.03 0.00 -0.05 0.00 0.00 56.93 57.40 1u8c s PHE 548 Cb 0.19 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.82 1u8c s PHE 548 CO 0.59 -0.52 0.93 -2.13 -0.05 0.00 0.00 175.22 174.03 1u8c n ARG 549 N 0.74 1.99 -3.21 1.99 0.63 -1.26 -4.86 116.66 112.68 1u8c n ARG 549 Ca -0.19 -1.45 -0.40 0.00 -0.92 0.00 0.00 57.85 54.88 1u8c n ARG 549 Cb 0.59 -0.96 -0.07 0.00 0.45 0.00 0.00 32.46 32.47 1u8c n ARG 549 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1u8c s ASP 550 N -1.10 6.47 -0.25 6.15 2.15 -1.26 -4.91 116.67 123.91 1u8c s ASP 550 Ca 0.05 0.57 0.22 0.00 0.43 0.00 0.00 52.55 53.82 1u8c s ASP 550 Cb 0.04 -2.29 0.49 0.00 -0.30 0.00 0.00 42.92 40.86 1u8c s ASP 550 CO 0.00 -0.30 1.17 2.29 -0.17 0.00 0.00 175.17 178.17 1u8c n LYS 551 N 5.52 1.57 0.01 4.34 0.00 -1.26 -4.87 118.16 123.47 1u8c n LYS 551 Ca -0.03 -3.10 0.00 0.00 -0.00 0.00 0.00 58.31 55.17 1u8c n LYS 551 Cb 0.50 -1.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.29 1u8c n LYS 551 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1u8c n LEU 552 N -0.66 0.04 -4.68 -5.58 4.77 -1.26 -4.86 117.00 104.77 1u8c n LEU 552 Ca 0.03 0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.58 1u8c n LEU 552 Cb 0.83 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.89 1u8c n LEU 552 CO 0.03 -0.37 1.49 0.41 -1.33 0.00 0.00 177.39 177.63 1u8c n THR 553 N -2.78 0.58 -0.99 -5.08 -1.04 -1.26 -4.69 114.28 99.01 1u8c n THR 553 Ca 0.00 -0.10 -0.31 0.00 -2.04 0.00 0.00 64.05 61.59 1u8c n THR 553 Cb 0.16 -1.91 0.13 0.00 -1.82 0.00 0.00 70.33 66.90 1u8c n THR 553 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1u8c s PRO 554 N 4.01 1.58 -0.43 -2.82 0.02 -1.26 -4.90 135.00 131.19 1u8c s PRO 554 Ca 0.92 1.46 -0.13 0.00 0.02 0.00 0.00 61.00 63.26 1u8c s PRO 554 Cb -0.67 -1.80 0.05 0.00 0.02 0.00 0.00 34.50 32.11 1u8c s PRO 554 CO 0.50 -2.20 0.31 0.42 -0.33 0.00 0.00 177.00 175.71 1u8c s ILE 555 N -2.64 4.91 -0.03 2.83 1.01 0.24 -4.89 121.20 122.64 1u8c s ILE 555 Ca 0.66 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 1u8c s ILE 555 Cb -0.22 -3.87 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1u8c s ILE 555 CO 0.55 -0.44 0.27 0.42 0.00 0.00 0.00 174.94 175.74 1u8c s THR 556 N 1.59 5.28 -0.07 2.92 -4.23 -1.26 0.18 115.64 120.05 1u8c s THR 556 Ca 0.04 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 1u8c s THR 556 Cb -0.22 -3.56 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1u8c s THR 556 CO 0.06 0.48 0.26 -0.63 -0.54 0.00 0.00 174.62 174.26 1u8c s ILE 557 N -1.18 5.30 -0.08 2.99 -1.09 0.19 -1.42 121.20 125.91 1u8c s ILE 557 Ca 0.23 0.49 0.01 0.00 -2.23 0.00 0.00 60.65 59.16 1u8c s ILE 557 Cb -0.14 -3.54 0.02 0.00 -1.58 0.00 0.00 42.46 37.22 1u8c s ILE 557 CO 0.12 0.59 -0.09 0.12 -1.23 0.00 0.00 174.94 174.45 1u8c s PHE 558 N -0.93 1.34 -0.06 3.97 5.36 0.32 -2.52 117.98 125.46 1u8c s PHE 558 Ca 0.19 -0.55 0.04 0.00 -0.96 0.00 0.00 56.93 55.64 1u8c s PHE 558 Cb -0.14 -1.06 -0.00 0.00 -0.34 0.00 0.00 43.02 41.48 1u8c s PHE 558 CO 0.08 -0.35 -0.18 0.00 -1.46 0.00 0.00 175.22 173.30 1u8c s MET 559 N 1.12 2.11 -0.05 10.12 0.23 -0.95 -0.70 119.30 131.18 1u8c s MET 559 Ca -0.06 -0.66 0.02 0.00 -1.03 0.00 0.00 55.69 53.96 1u8c s MET 559 Cb -0.14 -1.74 0.01 0.00 -1.53 0.00 0.00 34.83 31.43 1u8c s MET 559 CO -0.01 0.20 -0.10 -1.83 -2.03 0.00 0.00 175.02 171.25 1u8c s GLU 560 N 0.20 1.33 -0.03 3.16 -1.05 -0.94 -1.92 118.70 119.45 1u8c s GLU 560 Ca -0.09 -0.34 0.06 0.00 -0.15 0.00 0.00 54.97 54.45 1u8c s GLU 560 Cb -0.14 -1.16 -0.01 0.00 -0.44 0.00 0.00 34.13 32.38 1u8c s GLU 560 CO 0.04 0.05 -0.20 1.52 0.95 0.00 0.00 175.26 177.62 1u8c s TYR 561 N 0.54 1.85 0.03 4.83 -0.85 0.02 -2.69 117.35 121.09 1u8c s TYR 561 Ca -0.10 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.04 1u8c s TYR 561 Cb -0.13 -1.21 -0.02 0.00 0.38 0.00 0.00 41.96 40.98 1u8c s TYR 561 CO 0.02 -0.09 -0.07 -0.98 -1.52 0.00 0.00 175.55 172.91 1u8c s ARG 562 N -0.29 0.50 0.69 -3.49 1.04 -1.06 -4.72 118.95 111.62 1u8c s ARG 562 Ca 0.03 -0.68 -0.11 0.00 -1.04 0.00 0.00 55.73 53.94 1u8c s ARG 562 Cb -0.10 -0.27 0.01 0.00 -2.04 0.00 0.00 34.95 32.55 1u8c s ARG 562 CO 0.01 0.05 1.07 -1.17 -0.04 0.00 0.00 175.30 175.22 1u8c s LEU 563 N -1.39 2.96 0.04 -1.89 0.20 -1.26 -1.34 118.68 115.99 1u8c s LEU 563 Ca -0.09 1.10 0.05 0.00 0.69 0.00 0.00 54.13 55.88 1u8c s LEU 563 Cb -0.09 -3.91 -0.03 0.00 -0.43 0.00 0.00 46.19 41.73 1u8c s LEU 563 CO 0.00 -1.28 -0.10 -1.81 -0.29 0.00 0.00 176.35 172.86 1u8c s ASP 564 N -4.35 4.36 -1.07 3.68 -0.00 -1.23 -4.86 116.67 113.22 1u8c s ASP 564 Ca 0.57 -0.27 -0.07 0.00 -0.00 0.00 0.00 52.55 52.79 1u8c s ASP 564 Cb -0.11 -0.91 -0.06 0.00 -0.00 0.00 0.00 42.92 41.84 1u8c s ASP 564 CO 0.51 0.25 2.33 0.00 -0.00 0.00 0.00 175.17 178.26 1u8c n TYR 565 N 1.37 1.59 -2.74 4.23 4.11 -1.26 -4.51 117.16 119.95 1u8c n TYR 565 Ca -0.15 -2.22 -0.04 0.00 -0.00 0.00 0.00 57.90 55.49 1u8c n TYR 565 Cb 0.52 -1.86 0.02 0.00 -0.00 0.00 0.00 39.34 38.03 1u8c n TYR 565 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1u8c n ARG 566 N 4.02 0.49 -2.58 -3.48 3.00 -1.26 -4.96 116.66 111.88 1u8c n ARG 566 Ca 0.52 -1.73 -0.04 0.00 -0.00 0.00 0.00 57.85 56.60 1u8c n ARG 566 Cb 0.16 -1.15 0.10 0.00 0.00 0.00 0.00 32.46 31.57 1u8c n ARG 566 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1u8c n THR 567 N 2.64 0.00 -4.39 5.15 -1.04 -1.26 -4.75 114.28 110.63 1u8c n THR 567 Ca 0.15 -1.07 -0.26 0.00 -2.04 0.00 0.00 64.05 60.82 1u8c n THR 567 Cb 0.59 0.92 -0.11 0.00 -1.82 0.00 0.00 70.33 69.91 1u8c n THR 567 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u8c s ALA 568 N 0.14 2.69 1.04 2.41 0.00 -1.26 -4.71 121.76 122.07 1u8c s ALA 568 Ca 0.13 -1.62 -0.17 0.00 0.00 0.00 0.00 51.96 50.29 1u8c s ALA 568 Cb 0.36 -0.45 0.23 0.00 0.00 0.00 0.00 23.12 23.26 1u8c s ALA 568 CO -0.09 0.42 1.26 0.00 0.00 0.00 0.00 175.76 177.35 1u8c s ALA 569 N -1.79 1.74 -0.37 0.00 0.00 -1.26 -4.87 121.76 115.21 1u8c s ALA 569 Ca 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 51.06 1u8c s ALA 569 Cb -0.08 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1u8c s ALA 569 CO 0.12 -2.80 0.65 -0.40 0.00 0.00 0.00 175.76 173.33 1u8c n ASP 570 N -4.07 1.79 -1.38 0.00 5.75 -1.26 -3.77 116.55 113.61 1u8c n ASP 570 Ca 0.15 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1u8c n ASP 570 Cb 0.59 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1u8c n ASP 570 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1u8c n THR 571 N 0.42 0.98 -1.38 2.12 -2.24 -1.26 -4.48 114.28 108.44 1u8c n THR 571 Ca 0.00 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1u8c n THR 571 Cb 0.32 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.40 1u8c n THR 571 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u8c n THR 572 N 1.25 0.00 -0.11 4.28 -1.04 -1.26 -4.54 114.28 112.85 1u8c n THR 572 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1u8c n THR 572 Cb 0.31 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.36 1u8c n THR 572 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1u8c n GLY 573 N -1.00 -0.27 2.88 3.41 0.00 -1.25 -5.09 105.19 103.88 1u8c n GLY 573 Ca -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 1u8c n GLY 573 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u8c s LEU 574 N -0.13 -1.21 0.25 0.99 2.96 -1.26 -5.02 118.68 115.25 1u8c s LEU 574 Ca 0.00 -1.51 -0.30 0.00 -0.22 0.00 0.00 54.13 52.11 1u8c s LEU 574 Cb 0.00 1.69 -0.09 0.00 0.50 0.00 0.00 46.19 48.29 1u8c s LEU 574 CO 0.00 -0.11 1.28 -1.10 -1.32 0.00 0.00 176.35 175.10 1u8c s GLN 575 N 1.17 4.41 0.00 1.98 -0.21 -1.26 -4.50 119.66 121.25 1u8c s GLN 575 Ca 0.25 2.07 0.00 0.00 0.02 0.00 0.00 55.36 57.70 1u8c s GLN 575 Cb -0.02 -3.16 0.00 0.00 1.00 0.00 0.00 33.01 30.83 1u8c s GLN 575 CO -0.06 -0.17 0.00 -0.35 -2.12 0.00 0.00 175.29 172.58 1u8c n PRO 576 N 1.93 0.90 -3.83 2.91 -0.04 -1.26 -4.67 135.00 130.94 1u8c n PRO 576 Ca 0.03 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1u8c n PRO 576 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 1u8c n PRO 576 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1u8c s ILE 577 N 0.02 0.01 0.23 0.52 1.10 -1.14 -4.92 121.20 117.02 1u8c s ILE 577 Ca 0.00 -0.97 -0.05 0.00 -0.51 0.00 0.00 60.65 59.11 1u8c s ILE 577 Cb 0.00 -1.85 -0.06 0.00 0.15 0.00 0.00 42.46 40.70 1u8c s ILE 577 CO 0.00 -0.04 0.49 -0.76 -2.11 0.00 0.00 174.94 172.52 1u8c s LEU 578 N -2.92 4.15 -0.40 8.50 1.02 -1.26 -0.11 118.68 127.66 1u8c s LEU 578 Ca 0.13 0.70 -0.43 0.00 0.02 0.00 0.00 54.13 54.55 1u8c s LEU 578 Cb -0.03 -3.47 -0.17 0.00 0.02 0.00 0.00 46.19 42.54 1u8c s LEU 578 CO 0.03 -0.09 1.81 -3.20 0.02 0.00 0.00 176.35 174.92 1u8c n ASN 579 N -0.49 1.69 0.00 2.29 2.85 -0.84 -4.80 115.26 115.96 1u8c n ASN 579 Ca -0.02 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.43 1u8c n ASN 579 Cb 0.53 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.53 1u8c n ASN 579 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1u8c n GLN 580 N 5.58 0.00 -2.75 1.20 10.64 -1.26 -2.49 117.38 128.30 1u8c n GLN 580 Ca 0.34 0.37 -0.43 0.00 -1.83 0.00 0.00 57.00 55.45 1u8c n GLN 580 Cb 0.05 -0.57 -0.02 0.00 -0.86 0.00 0.00 30.24 28.83 1u8c n GLN 580 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1u8c s PHE 581 N -2.54 2.88 -0.29 2.61 0.08 -1.26 -4.85 117.98 114.61 1u8c s PHE 581 Ca 0.00 -1.24 -0.14 0.00 0.12 0.00 0.00 56.93 55.67 1u8c s PHE 581 Cb 0.00 -4.49 0.10 0.00 -0.57 0.00 0.00 43.02 38.06 1u8c s PHE 581 CO 0.00 -1.69 0.68 0.99 -0.10 0.00 0.00 175.22 175.10 1u8c s THR 582 N 3.65 -0.40 0.17 0.64 2.01 -1.04 -5.16 115.64 115.51 1u8c s THR 582 Ca 0.40 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.10 1u8c s THR 582 Cb -0.02 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 1u8c s THR 582 CO -0.08 0.00 1.04 -2.84 -0.69 0.00 0.00 174.62 172.05 1u8c s PRO 583 N 2.14 4.66 -0.52 4.92 0.02 -1.26 -4.96 135.00 140.01 1u8c s PRO 583 Ca -0.08 1.61 0.02 0.00 0.02 0.00 0.00 61.00 62.57 1u8c s PRO 583 Cb -0.08 -3.30 0.55 0.00 0.02 0.00 0.00 34.50 31.69 1u8c s PRO 583 CO -0.19 0.18 1.89 0.00 -0.33 0.00 0.00 177.00 178.55 1u8c n ALA 584 N 2.32 5.76 -3.52 -1.55 0.00 -1.26 -4.87 120.51 117.38 1u8c n ALA 584 Ca 0.02 -3.21 0.01 0.00 0.00 0.00 0.00 53.44 50.26 1u8c n ALA 584 Cb 0.47 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 1u8c n ALA 584 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u8c s ASN 585 N -1.75 -0.29 0.34 0.00 2.20 -1.26 -0.80 114.94 113.38 1u8c s ASN 585 Ca 0.59 0.45 0.09 0.00 -0.94 0.00 0.00 52.86 53.05 1u8c s ASN 585 Cb 0.48 1.21 -0.06 0.00 -2.00 0.00 0.00 41.25 40.87 1u8c s ASN 585 CO 0.05 -0.07 -0.07 -0.51 -2.94 0.00 0.00 177.10 173.56 1u8c s ILE 586 N 1.56 2.33 -0.23 0.54 1.10 -0.81 -4.98 121.20 120.71 1u8c s ILE 586 Ca -0.06 -2.16 -0.19 0.00 -0.51 0.00 0.00 60.65 57.73 1u8c s ILE 586 Cb -0.03 -2.67 0.06 0.00 0.15 0.00 0.00 42.46 39.97 1u8c s ILE 586 CO -0.14 -0.21 0.61 -0.94 -2.11 0.00 0.00 174.94 172.15 1u8c s SER 587 N -3.63 -0.68 0.31 4.50 1.04 -1.26 -2.25 113.70 111.73 1u8c s SER 587 Ca 0.33 1.25 0.08 0.00 0.48 0.00 0.00 55.95 58.09 1u8c s SER 587 Cb 0.02 1.23 -0.06 0.00 0.10 0.00 0.00 66.02 67.30 1u8c s SER 587 CO 0.17 -0.22 -0.07 -0.60 0.98 0.00 0.00 173.24 173.50 1u8c s ARG 588 N 0.66 1.67 0.20 4.02 6.06 -1.05 -4.96 118.95 125.55 1u8c s ARG 588 Ca -0.03 -1.86 0.04 0.00 -2.50 0.00 0.00 55.73 51.39 1u8c s ARG 588 Cb -0.05 -1.39 -0.05 0.00 0.06 0.00 0.00 34.95 33.52 1u8c s ARG 588 CO -0.04 0.08 -0.04 1.14 -2.50 0.00 0.00 175.30 173.93 1u8c s GLN 589 N -3.68 1.25 0.14 5.12 -2.07 -1.26 0.57 119.66 119.73 1u8c s GLN 589 Ca 0.31 -1.60 0.10 0.00 -1.82 0.00 0.00 55.36 52.35 1u8c s GLN 589 Cb 0.03 -0.65 -0.04 0.00 -1.09 0.00 0.00 33.01 31.27 1u8c s GLN 589 CO 0.14 -0.03 -0.22 0.00 -1.32 0.00 0.00 175.29 173.86 1u8c s ALA 590 N -3.37 2.14 -0.08 2.60 0.00 0.49 -4.93 121.76 118.61 1u8c s ALA 590 Ca 0.24 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1u8c s ALA 590 Cb 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1u8c s ALA 590 CO 0.06 0.39 -0.09 -1.01 0.00 0.00 0.00 175.76 175.11 1u8c s HIS 591 N -1.45 1.34 0.33 0.00 0.09 -1.23 0.79 115.29 115.17 1u8c s HIS 591 Ca 0.13 -0.56 -0.29 0.00 -0.00 0.00 0.00 55.06 54.35 1u8c s HIS 591 Cb -0.09 -1.07 -0.10 0.00 -0.00 0.00 0.00 32.58 31.32 1u8c s HIS 591 CO 0.06 -0.36 1.39 0.42 -0.00 0.00 0.00 174.74 176.25 1u8c s ILE 592 N 1.16 2.50 -0.02 0.60 1.01 -1.26 -1.86 121.20 123.33 1u8c s ILE 592 Ca -0.06 0.49 -0.30 0.00 0.00 0.00 0.00 60.65 60.78 1u8c s ILE 592 Cb -0.14 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 1u8c s ILE 592 CO -0.02 0.11 1.89 -0.22 0.00 0.00 0.00 174.94 176.71 1u8c s LEU 593 N -1.62 4.31 -0.22 2.97 0.20 0.19 -4.85 118.68 119.66 1u8c s LEU 593 Ca 0.52 2.46 -0.06 0.00 0.69 0.00 0.00 54.13 57.74 1u8c s LEU 593 Cb -0.42 -3.53 0.11 0.00 -0.43 0.00 0.00 46.19 41.92 1u8c s LEU 593 CO 0.54 -1.10 0.43 -0.22 -0.29 0.00 0.00 176.35 175.71 1u8c s LEU 594 N 4.68 -0.72 -0.75 -0.68 2.96 -1.26 -4.80 118.68 118.12 1u8c s LEU 594 Ca 0.85 0.80 -0.02 0.00 -0.22 0.00 0.00 54.13 55.54 1u8c s LEU 594 Cb -0.39 1.39 0.00 0.00 0.50 0.00 0.00 46.19 47.69 1u8c s LEU 594 CO 0.38 -0.25 0.25 0.47 -1.32 0.00 0.00 176.35 175.87 1u8c n ASP 595 N 5.39 -3.65 -3.40 3.68 8.00 -1.26 -4.89 116.55 120.42 1u8c n ASP 595 Ca -0.07 -0.12 -0.40 0.00 0.71 0.00 0.00 54.79 54.92 1u8c n ASP 595 Cb 0.50 -2.60 0.02 0.00 -0.02 0.00 0.00 41.12 39.02 1u8c n ASP 595 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8c n GLY 597 N -0.20 2.80 0.00 0.00 0.00 -1.26 -0.74 105.19 105.79 1u8c n GLY 597 Ca 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u8c n GLY 597 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u8c n GLU 598 N 12.66 2.32 0.00 1.61 0.00 -1.26 -4.69 120.64 131.28 1u8c n GLU 598 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 1u8c n GLU 598 Cb 0.00 -0.19 0.45 0.00 0.00 0.00 0.00 31.44 31.70 1u8c n GLU 598 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1u8c n ASP 599 N 0.00 0.28 -1.64 -1.84 3.85 -1.26 -4.92 116.55 111.02 1u8c n ASP 599 Ca 0.00 0.05 -0.11 0.00 -0.71 0.00 0.00 54.79 54.02 1u8c n ASP 599 Cb 0.00 -0.11 0.02 0.00 -1.35 0.00 0.00 41.12 39.67 1u8c n ASP 599 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1u8c n ASN 600 N -1.44 -3.86 -3.90 -1.12 3.02 -0.87 -5.03 115.26 102.05 1u8c n ASN 600 Ca 0.07 -0.14 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 1u8c n ASN 600 Cb 0.33 -2.76 -0.15 0.00 -0.61 0.00 0.00 39.78 36.60 1u8c n ASN 600 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u8c s VAL 601 N -2.85 0.23 -0.20 2.41 0.11 0.08 -4.91 120.40 115.27 1u8c s VAL 601 Ca 0.15 -0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 1u8c s VAL 601 Cb -0.07 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1u8c s VAL 601 CO 0.19 0.08 0.21 0.00 -3.33 0.00 0.00 175.10 172.25 1u8c s LYS 603 N 0.65 0.44 0.27 0.00 -2.85 -1.26 -4.62 119.74 112.37 1u8c s LYS 603 Ca 0.11 -0.87 -0.04 0.00 -1.00 0.00 0.00 55.97 54.17 1u8c s LYS 603 Cb -0.12 -1.48 0.07 0.00 -2.06 0.00 0.00 37.83 34.24 1u8c s LYS 603 CO 0.02 -1.04 0.19 -0.35 0.10 0.00 0.00 175.35 174.26 1u8c n PRO 604 N 4.88 -2.09 -3.27 1.78 -0.04 -1.24 -3.07 135.00 131.96 1u8c n PRO 604 Ca -0.02 -0.31 -0.17 0.00 -0.04 0.00 0.00 63.50 62.96 1u8c n PRO 604 Cb 0.41 -0.35 -0.07 0.00 -0.04 0.00 0.00 33.50 33.46 1u8c n PRO 604 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1u8c s LYS 605 N -3.43 0.78 0.23 0.54 2.36 -1.26 -4.62 119.74 114.33 1u8c s LYS 605 Ca 0.13 -1.23 -0.16 0.00 -2.55 0.00 0.00 55.97 52.16 1u8c s LYS 605 Cb -0.02 -0.80 -0.08 0.00 -1.05 0.00 0.00 37.83 35.89 1u8c s LYS 605 CO 0.11 -1.27 0.67 -0.51 1.55 0.00 0.00 175.35 175.90 1u8c s LEU 606 N 0.97 4.26 -0.21 5.43 2.01 -1.26 -0.84 118.68 129.04 1u8c s LEU 606 Ca 0.23 1.26 -0.15 0.00 0.01 0.00 0.00 54.13 55.48 1u8c s LEU 606 Cb -0.08 -3.63 0.06 0.00 0.01 0.00 0.00 46.19 42.55 1u8c s LEU 606 CO -0.07 -0.01 0.54 -1.83 1.01 0.00 0.00 176.35 175.98 1u8c s GLU 607 N -2.27 0.57 -0.09 1.70 -1.05 -1.10 -4.49 118.70 111.97 1u8c s GLU 607 Ca 0.45 0.89 0.03 0.00 -0.15 0.00 0.00 54.97 56.19 1u8c s GLU 607 Cb -0.14 0.15 0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1u8c s GLU 607 CO 0.20 -0.12 -0.18 0.08 0.95 0.00 0.00 175.26 176.19 1u8c s VAL 608 N 1.03 1.58 0.09 1.83 1.01 -1.26 -1.93 120.40 122.76 1u8c s VAL 608 Ca -0.06 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.26 1u8c s VAL 608 Cb -0.06 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1u8c s VAL 608 CO -0.09 0.45 -0.19 -0.44 0.00 0.00 0.00 175.10 174.83 1u8c s SER 609 N 0.57 2.29 -0.25 3.32 0.01 -1.11 -4.81 113.70 113.72 1u8c s SER 609 Ca -0.15 -0.67 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 1u8c s SER 609 Cb -0.17 -0.11 0.13 0.00 0.21 0.00 0.00 66.02 66.08 1u8c s SER 609 CO 0.05 0.02 0.33 0.68 0.41 0.00 0.00 173.24 174.73 1u8c s VAL 610 N -1.22 -0.51 0.34 3.43 -7.23 -1.26 -1.07 120.40 112.89 1u8c s VAL 610 Ca 0.04 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.74 1u8c s VAL 610 Cb -0.10 -0.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.90 1u8c s VAL 610 CO 0.04 -0.24 1.02 -0.62 -0.31 0.00 0.00 175.10 174.99 1u8c s ASP 611 N 2.46 7.07 -1.31 4.85 -1.08 -1.26 -4.94 116.67 122.46 1u8c s ASP 611 Ca 0.10 2.02 -0.15 0.00 -0.52 0.00 0.00 52.55 54.01 1u8c s ASP 611 Cb -0.15 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 38.82 1u8c s ASP 611 CO -0.21 -0.26 1.80 -1.20 0.52 0.00 0.00 175.17 175.82 1u8c n SER 612 N 0.44 4.79 0.00 -0.34 7.64 -1.26 -4.55 113.62 120.34 1u8c n SER 612 Ca 0.03 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.96 1u8c n SER 612 Cb 0.49 -1.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1u8c n SER 612 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1u8c n ASP 613 N 6.42 0.00 -0.35 6.43 4.64 -1.26 -4.25 116.55 128.18 1u8c n ASP 613 Ca 0.45 0.01 0.10 0.00 -1.38 0.00 0.00 54.79 53.97 1u8c n ASP 613 Cb 0.42 0.00 0.20 0.00 -1.04 0.00 0.00 41.12 40.70 1u8c n ASP 613 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1u8c n GLN 614 N -0.01 -0.08 -0.98 -0.67 6.02 -1.26 -4.84 117.38 115.55 1u8c n GLN 614 Ca 0.00 1.51 -0.02 0.00 -0.01 0.00 0.00 57.00 58.48 1u8c n GLN 614 Cb 0.00 -2.32 0.00 0.00 1.02 0.00 0.00 30.24 28.94 1u8c n GLN 614 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1u8c n LYS 615 N -5.55 -0.08 0.00 -1.09 2.85 -1.26 -4.91 118.16 108.13 1u8c n LYS 615 Ca 0.19 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.52 1u8c n LYS 615 Cb 0.61 -0.10 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 1u8c n LYS 615 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1u8c n LYS 616 N 0.18 0.00 -3.73 -1.58 2.85 -1.26 -4.95 118.16 109.67 1u8c n LYS 616 Ca -0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1u8c n LYS 616 Cb 0.04 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.32 1u8c n LYS 616 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1u8c s ILE 617 N 0.00 3.59 -0.02 0.58 1.01 -1.06 -4.97 121.20 120.33 1u8c s ILE 617 Ca 0.00 -2.60 -0.30 0.00 0.00 0.00 0.00 60.65 57.75 1u8c s ILE 617 Cb 0.00 -3.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.02 1u8c s ILE 617 CO 0.00 -0.81 1.71 -0.31 0.00 0.00 0.00 174.94 175.53 1u8c s TYR 618 N 0.41 1.89 0.39 3.97 1.51 -1.26 -1.89 117.35 122.37 1u8c s TYR 618 Ca 0.13 0.08 -0.27 0.00 -1.01 0.00 0.00 57.07 56.00 1u8c s TYR 618 Cb -0.21 -3.98 -0.10 0.00 -0.11 0.00 0.00 41.96 37.55 1u8c s TYR 618 CO -0.04 -4.18 1.45 0.42 -1.11 0.00 0.00 175.55 172.09 1u8c s ILE 619 N 3.97 2.15 0.00 2.71 1.01 0.25 -4.25 121.20 127.03 1u8c s ILE 619 Ca 0.76 0.14 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1u8c s ILE 619 Cb -0.36 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.02 1u8c s ILE 619 CO 0.32 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1u8c n GLY 620 N 0.53 1.91 2.55 6.18 0.00 -1.26 -1.51 105.19 113.58 1u8c n GLY 620 Ca 0.02 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1u8c n GLY 620 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u8c n ASP 621 N 0.00 0.03 -4.49 1.61 5.68 -1.26 -4.91 116.55 113.21 1u8c n ASP 621 Ca 0.00 -1.31 -0.43 0.00 -0.50 0.00 0.00 54.79 52.55 1u8c n ASP 621 Cb 0.00 -0.67 -0.04 0.00 -1.14 0.00 0.00 41.12 39.27 1u8c n ASP 621 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1u8c s ASP 622 N -4.20 6.24 0.01 -1.12 1.11 -1.26 -4.81 116.67 112.63 1u8c s ASP 622 Ca 0.50 -0.69 -0.23 0.00 0.18 0.00 0.00 52.55 52.31 1u8c s ASP 622 Cb -0.01 -2.44 -0.05 0.00 1.07 0.00 0.00 42.92 41.49 1u8c s ASP 622 CO 0.35 -1.38 0.69 0.21 1.18 0.00 0.00 175.17 176.22 1u8c s ASN 623 N 3.33 7.09 0.21 0.27 3.84 -1.17 -4.96 114.94 123.55 1u8c s ASN 623 Ca 0.26 1.30 -0.29 0.00 0.21 0.00 0.00 52.86 54.34 1u8c s ASN 623 Cb -0.14 -2.42 -0.09 0.00 -0.55 0.00 0.00 41.25 38.05 1u8c s ASN 623 CO 0.14 0.03 0.91 -2.16 -2.79 0.00 0.00 177.10 173.23 1u8c s PRO 624 N 0.03 4.79 -0.02 0.43 0.04 -1.26 -2.61 135.00 136.39 1u8c s PRO 624 Ca 0.35 1.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 1u8c s PRO 624 Cb -0.19 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1u8c s PRO 624 CO 0.20 0.51 0.04 -1.17 0.04 0.00 0.00 177.00 176.62 1u8c s LEU 625 N -1.08 1.11 -0.03 -3.56 2.96 -0.01 -4.96 118.68 113.12 1u8c s LEU 625 Ca 0.40 0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.40 1u8c s LEU 625 Cb -0.25 -0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.42 1u8c s LEU 625 CO 0.31 -0.12 -0.10 0.42 -1.32 0.00 0.00 176.35 175.54 1u8c s THR 626 N 1.01 0.84 0.04 3.68 -4.23 -1.26 0.50 115.64 116.20 1u8c s THR 626 Ca -0.08 -0.39 0.08 0.00 -1.18 0.00 0.00 61.69 60.12 1u8c s THR 626 Cb -0.12 -0.74 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1u8c s THR 626 CO -0.03 0.26 -0.24 -1.48 -0.54 0.00 0.00 174.62 172.59 1u8c s LEU 627 N 0.18 2.15 -0.52 4.79 0.05 -0.03 -4.62 118.68 120.68 1u8c s LEU 627 Ca -0.03 -0.54 -0.18 0.00 0.05 0.00 0.00 54.13 53.43 1u8c s LEU 627 Cb -0.09 -1.17 0.08 0.00 -2.05 0.00 0.00 46.19 42.96 1u8c s LEU 627 CO 0.01 0.23 0.56 -0.63 -0.55 0.00 0.00 176.35 175.97 1u8c s ILE 628 N -0.76 5.00 0.31 1.48 -1.09 -1.26 -1.90 121.20 122.97 1u8c s ILE 628 Ca 0.10 -0.86 -0.19 0.00 -2.23 0.00 0.00 60.65 57.48 1u8c s ILE 628 Cb -0.09 -4.29 -0.09 0.00 -1.58 0.00 0.00 42.46 36.40 1u8c s ILE 628 CO 0.02 -0.81 0.79 -0.69 -1.23 0.00 0.00 174.94 173.01 1u8c s VAL 629 N 2.26 4.55 -0.48 2.92 1.01 -0.50 -4.00 120.40 126.16 1u8c s VAL 629 Ca 0.10 1.23 0.03 0.00 0.00 0.00 0.00 61.98 63.35 1u8c s VAL 629 Cb -0.23 -3.73 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1u8c s VAL 629 CO 0.08 -0.04 0.34 -0.75 0.00 0.00 0.00 175.10 174.74 1u8c s LYS 630 N -2.58 1.30 -0.06 2.72 2.20 -0.23 -2.04 119.74 121.05 1u8c s LYS 630 Ca 0.51 -2.29 -0.22 0.00 -0.36 0.00 0.00 55.97 53.60 1u8c s LYS 630 Cb -0.13 -2.04 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1u8c s LYS 630 CO 0.19 -1.30 0.66 0.00 -0.36 0.00 0.00 175.35 174.53 1u8c s ALA 631 N -0.13 3.38 -0.11 3.13 0.00 -0.50 -2.75 121.76 124.79 1u8c s ALA 631 Ca 0.27 0.09 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 1u8c s ALA 631 Cb -0.06 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 20.20 1u8c s ALA 631 CO -0.13 -0.04 0.27 1.14 0.00 0.00 0.00 175.76 177.00 1u8c s GLN 632 N 0.59 0.29 -0.30 0.00 -2.07 -0.81 -0.50 119.66 116.85 1u8c s GLN 632 Ca 0.35 0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 54.23 1u8c s GLN 632 Cb -0.18 0.07 -0.01 0.00 -1.09 0.00 0.00 33.01 31.80 1u8c s GLN 632 CO 0.17 -0.08 0.16 1.21 -1.32 0.00 0.00 175.29 175.43 1u8c s ASN 633 N 0.51 5.61 -0.26 12.60 3.04 -1.24 -2.72 114.94 132.47 1u8c s ASN 633 Ca -0.03 -0.43 0.11 0.00 0.04 0.00 0.00 52.86 52.55 1u8c s ASN 633 Cb -0.04 -2.02 0.53 0.00 -1.54 0.00 0.00 41.25 38.17 1u8c s ASN 633 CO -0.03 -0.17 1.49 0.00 -3.04 0.00 0.00 177.10 175.35 1u8c n GLN 634 N 5.00 2.28 0.00 0.43 1.13 -0.02 0.17 117.38 126.37 1u8c n GLN 634 Ca -0.14 -3.05 0.00 0.00 -1.94 0.00 0.00 57.00 51.87 1u8c n GLN 634 Cb 0.50 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.99 1u8c n GLN 634 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u8c n GLY 635 N -0.90 4.81 4.03 1.08 0.00 -1.26 -4.63 105.19 108.32 1u8c n GLY 635 Ca 0.31 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 1u8c n GLY 635 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u8c s GLU 636 N 4.70 2.20 -0.07 1.61 2.02 -1.17 -4.29 118.70 123.71 1u8c s GLU 636 Ca 0.00 -1.54 -0.38 0.00 0.02 0.00 0.00 54.97 53.07 1u8c s GLU 636 Cb 0.00 -2.60 -0.15 0.00 0.10 0.00 0.00 34.13 31.48 1u8c s GLU 636 CO 0.00 -0.95 1.58 0.41 0.02 0.00 0.00 175.26 176.32 1u8c n GLY 637 N -2.34 0.79 3.52 -1.39 0.00 -1.26 -3.69 105.19 100.81 1u8c n GLY 637 Ca 0.15 0.81 -0.38 0.00 0.00 0.00 0.00 46.02 46.60 1u8c n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8c s ALA 638 N 2.14 3.41 0.38 4.61 0.00 -1.14 -4.59 121.76 126.57 1u8c s ALA 638 Ca 0.90 -1.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 1u8c s ALA 638 Cb -0.95 -2.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 1u8c s ALA 638 CO 0.54 -0.73 1.02 0.71 0.00 0.00 0.00 175.76 177.30 1u8c s TYR 639 N 1.70 3.37 -1.53 0.00 2.02 -1.21 -3.18 117.35 118.53 1u8c s TYR 639 Ca 0.06 1.67 -0.02 0.00 -0.37 0.00 0.00 57.07 58.42 1u8c s TYR 639 Cb -0.16 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 1u8c s TYR 639 CO 0.09 -0.38 0.05 0.39 -1.57 0.00 0.00 175.55 174.13 1u8c n GLU 640 N 0.04 -1.01 -2.25 -0.62 1.02 0.32 -1.18 120.64 116.96 1u8c n GLU 640 Ca 0.04 0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.87 1u8c n GLU 640 Cb 0.50 -3.57 -0.03 0.00 -0.02 0.00 0.00 31.44 28.32 1u8c n GLU 640 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u8c s ALA 641 N -4.33 3.51 -0.21 0.62 0.00 -0.97 -4.29 121.76 116.08 1u8c s ALA 641 Ca 0.02 1.07 -0.18 0.00 0.00 0.00 0.00 51.96 52.88 1u8c s ALA 641 Cb -0.01 -3.47 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1u8c s ALA 641 CO 0.99 -0.51 0.55 -1.83 0.00 0.00 0.00 175.76 174.96 1u8c s GLU 642 N 0.02 0.62 0.12 0.00 -1.05 -0.93 -1.75 118.70 115.72 1u8c s GLU 642 Ca 0.57 0.80 -0.30 0.00 -0.15 0.00 0.00 54.97 55.89 1u8c s GLU 642 Cb -0.35 0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.54 1u8c s GLU 642 CO 0.37 -0.09 1.01 -1.17 0.95 0.00 0.00 175.26 176.33 1u8c s LEU 643 N 0.51 4.48 -0.24 1.83 2.96 0.11 -1.80 118.68 126.53 1u8c s LEU 643 Ca -0.02 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 55.78 1u8c s LEU 643 Cb -0.04 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.11 1u8c s LEU 643 CO -0.02 -0.15 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.13 1u8c s ILE 644 N 0.08 1.91 -0.26 6.68 -1.09 0.59 -1.11 121.20 128.00 1u8c s ILE 644 Ca 0.49 -1.40 -0.04 0.00 -2.23 0.00 0.00 60.65 57.46 1u8c s ILE 644 Cb -0.25 -2.05 0.01 0.00 -1.58 0.00 0.00 42.46 38.59 1u8c s ILE 644 CO 0.31 0.00 -0.00 0.54 -1.23 0.00 0.00 174.94 174.56 1u8c s VAL 645 N 1.23 3.46 -0.69 2.92 0.11 -0.90 -1.73 120.40 124.80 1u8c s VAL 645 Ca -0.06 -0.72 -0.23 0.00 -2.93 0.00 0.00 61.98 58.04 1u8c s VAL 645 Cb -0.19 -2.71 0.07 0.00 -1.53 0.00 0.00 36.38 32.02 1u8c s VAL 645 CO -0.06 0.23 1.01 -0.44 -3.33 0.00 0.00 175.10 172.50 1u8c s SER 646 N 1.44 6.21 0.45 3.54 0.01 0.17 -1.70 113.70 123.83 1u8c s SER 646 Ca 0.03 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 1u8c s SER 646 Cb -0.16 -2.43 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 1u8c s SER 646 CO -0.01 -1.44 0.84 0.27 0.41 0.00 0.00 173.24 173.31 1u8c s ILE 647 N 4.08 4.72 0.41 1.44 -5.25 -0.21 -2.49 121.20 123.89 1u8c s ILE 647 Ca 0.24 0.76 -0.23 0.00 -0.99 0.00 0.00 60.65 60.44 1u8c s ILE 647 Cb -0.15 -3.75 -0.10 0.00 2.95 0.00 0.00 42.46 41.41 1u8c s ILE 647 CO 0.08 -0.63 0.99 -2.16 -1.79 0.00 0.00 174.94 171.44 1u8c s PRO 648 N -4.06 4.21 0.64 0.37 0.04 -1.26 -4.65 135.00 130.29 1u8c s PRO 648 Ca 0.53 1.31 0.43 0.00 0.04 0.00 0.00 61.00 63.31 1u8c s PRO 648 Cb -0.10 -2.38 2.34 0.00 0.04 0.00 0.00 34.50 34.40 1u8c s PRO 648 CO 0.34 -0.07 2.32 1.25 0.04 0.00 0.00 177.00 180.88 1u8c h LEU 649 N 2.26 0.00 -0.07 -3.56 6.46 -1.96 0.34 115.31 118.78 1u8c h LEU 649 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1u8c h LEU 649 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1u8c h LEU 649 CO 0.62 0.00 -0.40 0.00 -0.62 0.00 0.00 178.44 178.04 1u8c n GLN 650 N -3.01 0.12 -4.14 1.25 0.00 -1.26 -4.88 117.38 105.46 1u8c n GLN 650 Ca -0.03 -0.07 -0.29 0.00 0.00 0.00 0.00 57.00 56.61 1u8c n GLN 650 Cb 0.07 -1.50 -0.08 0.00 0.00 0.00 0.00 30.24 28.73 1u8c n GLN 650 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u8c s ALA 651 N -2.92 3.26 -0.02 2.61 0.00 0.12 0.25 121.76 125.05 1u8c s ALA 651 Ca 0.14 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1u8c s ALA 651 Cb 0.18 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1u8c s ALA 651 CO 0.65 0.66 -0.03 -0.51 0.00 0.00 0.00 175.76 176.53 1u8c s ASP 652 N -2.41 0.61 -0.07 0.00 -0.00 -0.88 -4.68 116.67 109.24 1u8c s ASP 652 Ca 0.26 -0.08 -0.30 0.00 -0.00 0.00 0.00 52.55 52.43 1u8c s ASP 652 Cb -0.11 -0.23 -0.04 0.00 -0.00 0.00 0.00 42.92 42.53 1u8c s ASP 652 CO 0.18 -0.03 1.48 0.12 -0.00 0.00 0.00 175.17 176.92 1u8c s PHE 653 N 0.58 2.44 0.00 4.23 5.36 -1.26 -2.21 117.98 127.12 1u8c s PHE 653 Ca -0.07 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 1u8c s PHE 653 Cb -0.10 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 1u8c s PHE 653 CO -0.01 -2.92 0.00 -0.89 -1.46 0.00 0.00 175.22 169.95 1u8c n ILE 654 N 5.24 0.00 -3.96 3.12 5.41 -1.01 -5.00 119.36 123.16 1u8c n ILE 654 Ca 0.15 0.05 0.01 0.00 1.00 0.00 0.00 62.75 63.96 1u8c n ILE 654 Cb 0.43 -0.15 0.02 0.00 -0.71 0.00 0.00 39.64 39.23 1u8c n ILE 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u8c n GLY 655 N 2.45 0.37 3.73 7.39 0.00 -1.22 -5.06 105.19 112.85 1u8c n GLY 655 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1u8c n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8c s VAL 656 N -2.04 4.77 0.31 1.61 0.11 -1.26 -2.83 120.40 121.06 1u8c s VAL 656 Ca 0.26 1.75 -0.29 0.00 -2.93 0.00 0.00 61.98 60.77 1u8c s VAL 656 Cb -0.01 -4.17 -0.11 0.00 -1.53 0.00 0.00 36.38 30.55 1u8c s VAL 656 CO 0.01 0.30 1.51 0.68 -3.33 0.00 0.00 175.10 174.27 1u8c s VAL 657 N 0.29 2.25 0.00 2.04 -7.23 0.59 -4.85 120.40 113.49 1u8c s VAL 657 Ca 0.42 0.22 0.00 0.00 -1.81 0.00 0.00 61.98 60.81 1u8c s VAL 657 Cb -0.21 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.59 1u8c s VAL 657 CO 0.24 0.04 0.00 -2.11 -0.31 0.00 0.00 175.10 172.96 1u8c n ARG 658 N 1.68 3.34 -0.77 4.82 1.85 -1.26 -4.59 116.66 121.74 1u8c n ARG 658 Ca 0.05 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.66 1u8c n ARG 658 Cb 0.39 -0.60 -0.02 0.00 -1.05 0.00 0.00 32.46 31.18 1u8c n ARG 658 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1u8c n ASN 659 N -0.59 4.20 -3.59 2.89 6.94 -1.26 -4.66 115.26 119.20 1u8c n ASN 659 Ca 0.00 -2.37 -0.05 0.00 -0.02 0.00 0.00 54.58 52.14 1u8c n ASN 659 Cb 0.00 -1.06 -0.03 0.00 -2.36 0.00 0.00 39.78 36.33 1u8c n ASN 659 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1u8c s ASN 660 N 3.80 -0.18 0.00 0.53 3.84 -1.26 -5.04 114.94 116.62 1u8c s ASN 660 Ca 0.40 0.05 0.16 0.00 0.21 0.00 0.00 52.86 53.69 1u8c s ASN 660 Cb 0.10 0.18 0.17 0.00 -0.55 0.00 0.00 41.25 41.16 1u8c s ASN 660 CO -0.00 -0.28 1.06 -1.84 -2.79 0.00 0.00 177.10 173.25 1u8c n GLU 661 N 0.05 1.46 -0.00 0.43 0.00 -1.26 -4.48 120.64 116.84 1u8c n GLU 661 Ca -0.02 -1.58 0.07 0.00 0.00 0.00 0.00 57.16 55.63 1u8c n GLU 661 Cb 0.59 -1.32 -0.10 0.00 0.00 0.00 0.00 31.44 30.60 1u8c n GLU 661 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1u8c n ALA 662 N 0.92 2.84 -2.92 -1.84 0.00 -1.26 -5.01 120.51 113.24 1u8c n ALA 662 Ca 0.10 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 52.91 1u8c n ALA 662 Cb 0.42 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1u8c n ALA 662 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u8c s LEU 663 N -3.67 4.34 0.20 0.00 2.01 -1.26 -4.77 118.68 115.52 1u8c s LEU 663 Ca -0.03 0.23 -0.25 0.00 0.01 0.00 0.00 54.13 54.09 1u8c s LEU 663 Cb 0.09 -2.96 -0.08 0.00 0.01 0.00 0.00 46.19 43.26 1u8c s LEU 663 CO 0.59 0.08 0.81 0.00 1.01 0.00 0.00 176.35 178.84 1u8c s ALA 664 N -1.68 3.40 -0.19 4.21 0.00 0.06 -4.93 121.76 122.64 1u8c s ALA 664 Ca 0.35 0.37 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1u8c s ALA 664 Cb -0.12 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1u8c s ALA 664 CO 0.28 0.28 2.78 0.54 0.00 0.00 0.00 175.76 179.64 1u8c n ARG 665 N 1.30 1.89 -0.94 0.00 1.74 -1.26 -4.45 116.66 114.94 1u8c n ARG 665 Ca -0.04 -1.30 -0.30 0.00 -0.77 0.00 0.00 57.85 55.44 1u8c n ARG 665 Cb 0.49 -1.78 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1u8c n ARG 665 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u8c n LEU 666 N 1.45 -3.05 -3.75 0.55 4.77 -1.26 -4.84 117.00 110.88 1u8c n LEU 666 Ca 0.34 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.37 1u8c n LEU 666 Cb 0.67 -0.65 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 1u8c n LEU 666 CO 0.21 -3.81 1.27 -1.54 -1.33 0.00 0.00 177.39 172.19 1u8c n SER 667 N 2.02 6.89 -4.83 -1.43 3.41 -1.26 -4.88 113.62 113.55 1u8c n SER 667 Ca 0.05 -3.59 -0.30 0.00 -0.26 0.00 0.00 58.87 54.77 1u8c n SER 667 Cb 0.37 -1.18 0.07 0.00 -0.26 0.00 0.00 64.21 63.21 1u8c n SER 667 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8c s ALA 669 N -3.18 -1.80 0.01 0.00 0.00 0.49 -4.96 121.76 112.32 1u8c s ALA 669 Ca 0.59 1.90 -0.14 0.00 0.00 0.00 0.00 51.96 54.31 1u8c s ALA 669 Cb -0.13 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 21.91 1u8c s ALA 669 CO 0.54 -0.33 0.41 0.12 0.00 0.00 0.00 175.76 176.50 1u8c s PHE 670 N 0.09 3.72 0.26 0.00 5.36 -1.26 0.12 117.98 126.27 1u8c s PHE 670 Ca -0.01 0.99 -0.21 0.00 -0.96 0.00 0.00 56.93 56.73 1u8c s PHE 670 Cb -0.04 -2.28 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 1u8c s PHE 670 CO 0.02 0.64 0.73 -1.59 -1.46 0.00 0.00 175.22 173.55 1u8c s LYS 671 N -1.13 1.72 -0.49 10.12 -2.85 0.21 -4.95 119.74 122.36 1u8c s LYS 671 Ca 0.24 -0.93 0.06 0.00 -1.00 0.00 0.00 55.97 54.34 1u8c s LYS 671 Cb -0.17 0.60 0.19 0.00 -2.06 0.00 0.00 37.83 36.39 1u8c s LYS 671 CO 0.14 -0.78 0.76 0.99 0.10 0.00 0.00 175.35 176.55 1u8c s THR 672 N -3.87 -0.92 0.28 3.79 2.01 -1.26 -0.49 115.64 115.18 1u8c s THR 672 Ca 0.10 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.37 1u8c s THR 672 Cb -0.05 0.00 -0.02 0.00 0.01 0.00 0.00 72.50 72.44 1u8c s THR 672 CO 0.05 0.00 1.62 -0.33 -0.69 0.00 0.00 174.62 175.28 1u8c h GLU 673 N 5.10 0.03 -6.11 4.92 4.39 -2.00 -3.42 114.58 117.48 1u8c h GLU 673 Ca 0.05 -0.02 -0.63 0.00 0.34 0.00 0.00 59.36 59.10 1u8c h GLU 673 Cb 1.12 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 29.48 1u8c h GLU 673 CO 0.01 0.62 -0.86 1.21 -1.16 0.00 0.00 179.01 178.82 1u8c s ASN 674 N -6.86 2.61 -0.12 1.42 3.84 -1.26 -5.00 114.94 109.57 1u8c s ASN 674 Ca -0.02 -0.41 -0.19 0.00 0.21 0.00 0.00 52.86 52.46 1u8c s ASN 674 Cb 0.13 -0.35 -0.22 0.00 -0.55 0.00 0.00 41.25 40.25 1u8c s ASN 674 CO 0.76 0.26 1.28 0.00 -2.79 0.00 0.00 177.10 176.61 1u8c n GLN 675 N 2.61 0.01 0.00 0.43 3.00 -1.26 -3.77 117.38 118.40 1u8c n GLN 675 Ca -0.16 -0.71 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 1u8c n GLN 675 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 30.24 28.66 1u8c n GLN 675 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1u8c n THR 676 N 6.01 0.00 -3.04 5.09 -2.24 -1.26 -5.11 114.28 113.72 1u8c n THR 676 Ca 0.29 -0.17 -0.01 0.00 -2.27 0.00 0.00 64.05 61.89 1u8c n THR 676 Cb 0.38 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 1u8c n THR 676 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1u8c n ARG 677 N -0.46 -1.49 -3.92 -0.78 1.74 -1.25 -4.34 116.66 106.17 1u8c n ARG 677 Ca 0.00 1.42 -0.10 0.00 -0.77 0.00 0.00 57.85 58.40 1u8c n ARG 677 Cb 0.00 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 29.87 1u8c n ARG 677 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1u8c s GLN 678 N -0.35 0.32 -0.14 5.56 -2.07 0.36 -1.05 119.66 122.29 1u8c s GLN 678 Ca -0.03 -0.42 -0.04 0.00 -1.82 0.00 0.00 55.36 53.05 1u8c s GLN 678 Cb 0.00 0.12 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 1u8c s GLN 678 CO 0.11 -0.06 -0.01 0.08 -1.32 0.00 0.00 175.29 174.09 1u8c s VAL 679 N -1.17 4.16 -0.08 3.63 1.01 -0.69 0.67 120.40 127.94 1u8c s VAL 679 Ca -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1u8c s VAL 679 Cb -0.08 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1u8c s VAL 679 CO -0.00 0.53 -0.07 0.54 0.00 0.00 0.00 175.10 176.09 1u8c s VAL 680 N -0.06 3.64 -0.09 2.92 0.11 0.32 -2.13 120.40 125.11 1u8c s VAL 680 Ca 0.03 -0.49 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 1u8c s VAL 680 Cb -0.13 -2.50 0.01 0.00 -1.53 0.00 0.00 36.38 32.24 1u8c s VAL 680 CO 0.02 0.58 -0.14 0.00 -3.33 0.00 0.00 175.10 172.23 1u8c s ASP 682 N 0.90 6.92 0.00 0.00 1.01 -1.25 0.06 116.67 124.30 1u8c s ASP 682 Ca -0.09 2.34 0.00 0.00 0.71 0.00 0.00 52.55 55.51 1u8c s ASP 682 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.17 1u8c s ASP 682 CO 0.00 -0.52 0.95 0.18 0.21 0.00 0.00 175.17 176.00 1u8c n LEU 683 N 2.87 1.91 0.00 1.23 4.77 -0.72 -4.38 117.00 122.68 1u8c n LEU 683 Ca 0.07 -1.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 1u8c n LEU 683 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1u8c n LEU 683 CO 0.57 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1u8c n GLY 684 N -0.45 2.53 0.38 -0.72 0.00 -1.24 -4.53 105.19 101.16 1u8c n GLY 684 Ca 0.00 -1.18 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1u8c n GLY 684 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1u8c h ASN 685 N 0.00 -0.81 0.78 1.61 -0.00 -1.84 -1.94 115.58 113.38 1u8c h ASN 685 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 1u8c h ASN 685 Cb 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 1u8c h ASN 685 CO 0.00 -0.53 0.00 -2.65 -0.00 0.00 0.00 177.43 174.25 1u8c n PRO 686 N -4.88 0.01 -2.10 6.67 -0.02 -1.26 -0.52 135.00 132.91 1u8c n PRO 686 Ca -0.12 0.12 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1u8c n PRO 686 Cb 0.38 -1.51 0.01 0.00 -0.02 0.00 0.00 33.50 32.36 1u8c n PRO 686 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1u8c n MET 687 N -1.53 -0.71 -0.93 -0.52 0.00 -0.77 -3.17 117.12 109.49 1u8c n MET 687 Ca 0.05 0.50 -0.35 0.00 -0.00 0.00 0.00 57.70 57.91 1u8c n MET 687 Cb 0.26 -0.77 0.08 0.00 0.00 0.00 0.00 33.22 32.79 1u8c n MET 687 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1u8c n LYS 688 N -0.24 -0.12 -1.24 2.12 4.76 -1.26 -2.90 118.16 119.29 1u8c n LYS 688 Ca -0.05 -0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 1u8c n LYS 688 Cb 0.26 -1.43 0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1u8c n LYS 688 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u8c s ALA 689 N -2.17 2.00 -1.03 7.82 0.00 -1.26 -3.59 121.76 123.52 1u8c s ALA 689 Ca 0.49 0.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.49 1u8c s ALA 689 Cb -0.21 -3.24 0.10 0.00 0.00 0.00 0.00 23.12 19.77 1u8c s ALA 689 CO 0.74 -1.98 0.34 0.41 0.00 0.00 0.00 175.76 175.27 1u8c n GLY 690 N -1.19 -0.46 3.23 0.00 0.00 0.46 -4.85 105.19 102.38 1u8c n GLY 690 Ca 0.08 0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1u8c n GLY 690 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1u8c n THR 691 N -3.47 4.55 -1.05 2.61 -1.04 -1.06 -4.89 114.28 109.94 1u8c n THR 691 Ca 0.03 -5.04 -0.33 0.00 -2.04 0.00 0.00 64.05 56.67 1u8c n THR 691 Cb 0.50 -2.41 0.13 0.00 -1.82 0.00 0.00 70.33 66.73 1u8c n THR 691 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1u8c s GLN 692 N -0.19 1.56 -0.30 -2.82 -0.21 -1.26 -3.71 119.66 112.74 1u8c s GLN 692 Ca 0.37 1.64 -0.08 0.00 0.02 0.00 0.00 55.36 57.31 1u8c s GLN 692 Cb -0.01 -1.78 0.16 0.00 1.00 0.00 0.00 33.01 32.39 1u8c s GLN 692 CO -0.00 -2.24 0.74 -1.17 -2.12 0.00 0.00 175.29 170.49 1u8c s LEU 693 N -5.92 -1.06 0.09 2.90 2.96 0.35 -4.93 118.68 113.07 1u8c s LEU 693 Ca 0.70 1.05 -0.03 0.00 -0.22 0.00 0.00 54.13 55.63 1u8c s LEU 693 Cb -0.26 2.04 -0.05 0.00 0.50 0.00 0.00 46.19 48.43 1u8c s LEU 693 CO 0.52 -0.20 0.30 -0.76 -1.32 0.00 0.00 176.35 174.89 1u8c s LEU 694 N 2.81 4.32 -0.01 -0.68 2.01 -1.26 -1.41 118.68 124.46 1u8c s LEU 694 Ca 0.05 0.46 -0.29 0.00 0.01 0.00 0.00 54.13 54.36 1u8c s LEU 694 Cb -0.12 -3.09 0.10 0.00 0.01 0.00 0.00 46.19 43.10 1u8c s LEU 694 CO -0.19 0.12 0.96 0.00 1.01 0.00 0.00 176.35 178.26 1u8c s ALA 695 N -1.55 -1.85 -0.11 4.21 0.00 -0.87 -0.76 121.76 120.82 1u8c s ALA 695 Ca 0.37 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1u8c s ALA 695 Cb -0.13 0.36 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1u8c s ALA 695 CO 0.25 -0.73 -0.20 0.20 0.00 0.00 0.00 175.76 175.28 1u8c s GLY 696 N -2.51 1.20 -0.26 0.00 0.00 -1.26 -1.40 107.32 103.08 1u8c s GLY 696 Ca 0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 44.72 43.86 1u8c s GLY 696 CO -0.07 -0.02 -0.01 1.08 0.00 0.00 0.00 173.10 174.08 1u8c s LEU 697 N 0.71 3.37 0.10 0.66 2.01 -0.80 -0.30 118.68 124.44 1u8c s LEU 697 Ca -0.11 -0.71 0.06 0.00 0.01 0.00 0.00 54.13 53.38 1u8c s LEU 697 Cb -0.16 -1.76 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 1u8c s LEU 697 CO 0.02 -0.13 -0.05 0.00 1.01 0.00 0.00 176.35 177.20 1u8c s ARG 698 N 1.42 2.32 0.00 1.70 1.70 -1.13 -0.85 118.95 124.12 1u8c s ARG 698 Ca 0.02 -0.95 0.00 0.00 -0.47 0.00 0.00 55.73 54.33 1u8c s ARG 698 Cb -0.16 -2.41 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1u8c s ARG 698 CO -0.02 0.52 0.00 1.97 -1.08 0.00 0.00 175.30 176.69 1u8c n PHE 699 N 0.58 -0.44 -3.67 5.89 1.16 0.18 -2.40 117.46 118.77 1u8c n PHE 699 Ca -0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.25 1u8c n PHE 699 Cb 0.52 0.00 -0.18 0.00 -1.61 0.00 0.00 39.48 38.21 1u8c n PHE 699 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1u8c s SER 700 N 0.54 1.25 0.26 5.98 1.04 -0.94 -0.83 113.70 121.01 1u8c s SER 700 Ca 0.00 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 1u8c s SER 700 Cb 0.00 -0.15 -0.09 0.00 0.10 0.00 0.00 66.02 65.88 1u8c s SER 700 CO 0.00 -0.26 0.74 0.54 0.98 0.00 0.00 173.24 175.25 1u8c s VAL 701 N 2.16 4.58 -0.13 5.02 0.11 -1.07 -2.07 120.40 129.00 1u8c s VAL 701 Ca 0.05 1.22 0.16 0.00 -2.93 0.00 0.00 61.98 60.48 1u8c s VAL 701 Cb -0.12 -3.79 0.30 0.00 -1.53 0.00 0.00 36.38 31.23 1u8c s VAL 701 CO -0.04 0.09 1.15 1.41 -3.33 0.00 0.00 175.10 174.38 1u8c n HIS 702 N 0.39 0.00 0.00 1.54 8.25 0.69 -3.01 115.22 123.07 1u8c n HIS 702 Ca -0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 1u8c n HIS 702 Cb 0.52 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1u8c n HIS 702 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u8c n GLN 703 N -1.24 0.00 0.00 -0.41 -0.00 -1.26 -4.89 117.38 109.57 1u8c n GLN 703 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.15 1u8c n GLN 703 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.90 1u8c n GLN 703 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u8c n GLN 704 N 3.39 0.00 -0.87 2.61 10.64 -1.26 -4.85 117.38 127.04 1u8c n GLN 704 Ca 0.00 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.90 1u8c n GLN 704 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 1u8c n GLN 704 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1u8c n SER 705 N 0.00 -2.56 0.00 2.61 2.88 -1.26 -3.86 113.62 111.43 1u8c n SER 705 Ca 0.00 0.46 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1u8c n SER 705 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 1u8c n SER 705 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1u8c n GLU 706 N 1.05 0.00 0.00 -1.46 4.07 -1.26 -4.82 120.64 118.22 1u8c n GLU 706 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1u8c n GLU 706 Cb 0.33 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.71 1u8c n GLU 706 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 1u8c n MET 707 N 0.00 0.00 -0.88 5.31 1.56 -1.25 -4.84 117.12 117.02 1u8c n MET 707 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1u8c n MET 707 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 1u8c n MET 707 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1u8c n ASP 708 N -3.66 0.00 0.15 6.12 8.00 -1.26 -5.00 116.55 120.90 1u8c n ASP 708 Ca 0.00 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1u8c n ASP 708 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.36 1u8c n ASP 708 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8c h THR 709 N -0.02 1.34 -1.76 -3.53 1.03 -1.90 -3.48 112.91 104.59 1u8c h THR 709 Ca 0.00 -1.64 0.13 0.00 -0.01 0.00 0.00 66.41 64.90 1u8c h THR 709 Cb 0.00 1.86 -0.20 0.00 -1.07 0.00 0.00 68.15 68.74 1u8c h THR 709 CO 0.00 0.47 0.61 -0.94 -0.01 0.00 0.00 175.52 175.65 1u8c s SER 710 N -6.89 -0.30 -0.16 0.00 1.04 -1.26 -2.07 113.70 104.05 1u8c s SER 710 Ca -0.03 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.48 1u8c s SER 710 Cb 0.14 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1u8c s SER 710 CO 0.75 -0.40 0.15 0.54 0.98 0.00 0.00 173.24 175.27 1u8c s VAL 711 N -2.05 5.43 0.23 5.02 0.11 -0.86 -4.88 120.40 123.40 1u8c s VAL 711 Ca 0.03 0.24 0.11 0.00 -2.93 0.00 0.00 61.98 59.44 1u8c s VAL 711 Cb -0.01 -3.46 -0.05 0.00 -1.53 0.00 0.00 36.38 31.34 1u8c s VAL 711 CO -0.04 0.51 -0.17 -1.59 -3.33 0.00 0.00 175.10 170.49 1u8c s LYS 712 N -0.24 1.78 0.23 1.54 -2.85 -1.26 -0.96 119.74 117.98 1u8c s LYS 712 Ca 0.12 -1.55 0.10 0.00 -1.00 0.00 0.00 55.97 53.64 1u8c s LYS 712 Cb -0.12 -1.92 -0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1u8c s LYS 712 CO 0.01 0.38 -0.08 -0.06 0.10 0.00 0.00 175.35 175.70 1u8c s PHE 713 N -2.06 2.59 -0.11 1.78 0.40 0.13 -4.38 117.98 116.33 1u8c s PHE 713 Ca 0.26 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1u8c s PHE 713 Cb -0.07 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1u8c s PHE 713 CO 0.14 0.58 -0.12 -0.51 0.70 0.00 0.00 175.22 176.01 1u8c s ASP 714 N -3.22 2.28 -0.05 1.36 1.01 -1.04 -0.95 116.67 116.07 1u8c s ASP 714 Ca 0.28 -0.38 0.07 0.00 0.71 0.00 0.00 52.55 53.23 1u8c s ASP 714 Cb -0.07 -0.98 -0.01 0.00 1.01 0.00 0.00 42.92 42.86 1u8c s ASP 714 CO 0.17 -0.04 -0.25 -0.76 0.21 0.00 0.00 175.17 174.49 1u8c s LEU 715 N 1.27 2.07 -0.12 1.23 1.02 0.13 0.43 118.68 124.70 1u8c s LEU 715 Ca -0.02 -0.50 -0.29 0.00 0.02 0.00 0.00 54.13 53.34 1u8c s LEU 715 Cb -0.14 -1.36 0.07 0.00 0.02 0.00 0.00 46.19 44.78 1u8c s LEU 715 CO -0.05 0.27 0.70 -1.58 0.02 0.00 0.00 176.35 175.72 1u8c s GLN 716 N -0.31 0.98 -0.21 1.70 0.74 -0.70 -0.86 119.66 121.00 1u8c s GLN 716 Ca 0.01 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 55.82 1u8c s GLN 716 Cb -0.12 0.47 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 1u8c s GLN 716 CO 0.02 -0.26 0.09 0.42 -0.55 0.00 0.00 175.29 175.01 1u8c s ILE 717 N -0.71 4.81 -0.11 -2.34 1.01 -1.26 -0.30 121.20 122.30 1u8c s ILE 717 Ca -0.07 -0.02 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1u8c s ILE 717 Cb -0.02 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 1u8c s ILE 717 CO 0.07 0.41 -0.13 -1.10 0.00 0.00 0.00 174.94 174.19 1u8c s GLN 718 N 0.79 3.18 0.20 2.79 -0.21 -0.74 -2.01 119.66 123.66 1u8c s GLN 718 Ca 0.04 -0.67 0.05 0.00 0.02 0.00 0.00 55.36 54.80 1u8c s GLN 718 Cb -0.13 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.24 1u8c s GLN 718 CO 0.02 0.32 -0.07 -1.54 -2.12 0.00 0.00 175.29 171.91 1u8c s SER 719 N 0.07 2.04 -0.35 5.90 1.04 0.27 -2.19 113.70 120.47 1u8c s SER 719 Ca -0.05 -1.11 0.02 0.00 0.48 0.00 0.00 55.95 55.30 1u8c s SER 719 Cb -0.14 -0.04 0.48 0.00 0.10 0.00 0.00 66.02 66.41 1u8c s SER 719 CO 0.04 -0.37 1.73 -1.54 0.98 0.00 0.00 173.24 174.08 1u8c n SER 720 N -0.35 3.98 -4.65 7.02 3.41 -0.33 -4.69 113.62 118.01 1u8c n SER 720 Ca -0.07 -3.23 -0.40 0.00 -0.26 0.00 0.00 58.87 54.91 1u8c n SER 720 Cb 0.62 -0.78 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1u8c n SER 720 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1u8c s ASN 721 N -0.73 6.60 0.46 4.04 -0.87 -1.26 -4.86 114.94 118.33 1u8c s ASN 721 Ca 0.43 0.73 0.35 0.00 -1.57 0.00 0.00 52.86 52.80 1u8c s ASN 721 Cb 0.36 -2.32 1.53 0.00 -0.02 0.00 0.00 41.25 40.80 1u8c s ASN 721 CO 0.07 -0.25 1.59 -0.07 -2.57 0.00 0.00 177.10 175.87 1u8c h LEU 722 N 8.26 0.17 -8.78 0.60 3.38 -1.91 -3.27 115.31 113.76 1u8c h LEU 722 Ca -0.31 0.12 -0.69 0.00 0.09 0.00 0.00 57.88 57.09 1u8c h LEU 722 Cb 1.14 0.12 -0.25 0.00 0.09 0.00 0.00 40.66 41.76 1u8c h LEU 722 CO 0.76 -0.20 -0.88 -0.36 0.09 0.00 0.00 178.44 177.85 1u8c s PHE 723 N -5.20 2.33 -1.00 1.13 0.40 -1.26 -4.69 117.98 109.70 1u8c s PHE 723 Ca -0.07 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 1u8c s PHE 723 Cb 0.30 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.46 1u8c s PHE 723 CO 0.84 0.17 0.00 -0.25 0.70 0.00 0.00 175.22 176.68 1u8c n ASP 724 N 1.60 -3.50 0.23 1.36 9.92 -1.26 -4.44 116.55 120.46 1u8c n ASP 724 Ca -0.17 0.23 0.13 0.00 -0.53 0.00 0.00 54.79 54.45 1u8c n ASP 724 Cb 0.52 -3.05 0.70 0.00 -0.64 0.00 0.00 41.12 38.65 1u8c n ASP 724 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1u8c h LYS 725 N 0.00 0.00 0.00 -1.24 2.10 -1.83 -3.42 116.57 112.18 1u8c h LYS 725 Ca -0.26 0.00 -0.37 0.00 -2.00 0.00 0.00 60.65 58.02 1u8c h LYS 725 Cb 1.11 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.36 1u8c h LYS 725 CO 0.32 0.00 -0.31 1.33 -2.00 0.00 0.00 179.45 178.79 1u8c n VAL 726 N -2.48 0.00 -4.47 0.07 0.24 -1.26 0.93 118.33 111.37 1u8c n VAL 726 Ca -0.02 -1.58 -0.23 0.00 -2.04 0.00 0.00 64.34 60.47 1u8c n VAL 726 Cb 0.18 0.57 -0.11 0.00 -1.47 0.00 0.00 33.84 33.01 1u8c n VAL 726 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1u8c s SER 727 N -2.67 2.92 0.02 -1.34 1.04 -0.85 -4.57 113.70 108.24 1u8c s SER 727 Ca 0.14 -1.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.01 1u8c s SER 727 Cb 0.01 -0.20 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 1u8c s SER 727 CO 0.10 -0.40 1.66 -2.84 0.98 0.00 0.00 173.24 172.73 1u8c s PRO 728 N -3.75 4.19 -0.25 4.02 0.02 -1.26 -4.67 135.00 133.31 1u8c s PRO 728 Ca 0.32 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.33 1u8c s PRO 728 Cb 0.06 -3.79 -0.04 0.00 0.02 0.00 0.00 34.50 30.75 1u8c s PRO 728 CO 0.14 -0.78 2.03 0.08 -0.33 0.00 0.00 177.00 178.13 1u8c s VAL 729 N 3.30 3.21 -0.24 3.83 1.01 -1.26 -4.79 120.40 125.47 1u8c s VAL 729 Ca 0.74 0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 1u8c s VAL 729 Cb -0.37 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 1u8c s VAL 729 CO 0.32 -0.17 0.21 -0.69 0.00 0.00 0.00 175.10 174.77 1u8c s VAL 730 N 7.48 5.32 0.38 2.92 1.01 -0.04 -4.92 120.40 132.55 1u8c s VAL 730 Ca 0.91 0.28 0.05 0.00 0.00 0.00 0.00 61.98 63.22 1u8c s VAL 730 Cb -0.29 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1u8c s VAL 730 CO 0.35 0.31 0.54 -0.55 0.00 0.00 0.00 175.10 175.75 1u8c s SER 731 N 1.15 5.88 -0.26 3.32 0.15 -1.26 -0.69 113.70 121.99 1u8c s SER 731 Ca 0.10 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.60 1u8c s SER 731 Cb -0.14 -1.26 0.12 0.00 -1.71 0.00 0.00 66.02 63.03 1u8c s SER 731 CO 0.06 -0.56 0.54 -2.28 1.20 0.00 0.00 173.24 172.20 1u8c s HIS 732 N -2.32 -1.12 0.33 3.44 5.04 -0.12 -4.95 115.29 115.59 1u8c s HIS 732 Ca 0.47 1.94 0.07 0.00 -1.54 0.00 0.00 55.06 55.99 1u8c s HIS 732 Cb -0.10 0.57 -0.02 0.00 0.04 0.00 0.00 32.58 33.08 1u8c s HIS 732 CO 0.33 -0.60 0.41 -1.59 -2.34 0.00 0.00 174.74 170.95 1u8c s LYS 733 N 2.77 3.04 -0.04 2.88 -2.85 -1.26 0.20 119.74 124.48 1u8c s LYS 733 Ca -0.03 -1.06 -0.02 0.00 -1.00 0.00 0.00 55.97 53.86 1u8c s LYS 733 Cb -0.12 -2.74 0.03 0.00 -2.06 0.00 0.00 37.83 32.94 1u8c s LYS 733 CO -0.16 0.10 0.06 0.08 0.10 0.00 0.00 175.35 175.53 1u8c s VAL 734 N -2.19 -0.11 0.54 1.79 1.01 -0.13 -4.96 120.40 116.35 1u8c s VAL 734 Ca 0.43 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.61 1u8c s VAL 734 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.09 1u8c s VAL 734 CO 0.30 0.17 1.18 -1.81 0.00 0.00 0.00 175.10 174.94 1u8c s ASP 735 N 2.05 5.62 -0.10 3.32 -0.00 -1.26 -2.04 116.67 124.26 1u8c s ASP 735 Ca 0.03 2.32 -0.10 0.00 -0.00 0.00 0.00 52.55 54.80 1u8c s ASP 735 Cb -0.12 -2.60 -0.05 0.00 -0.00 0.00 0.00 42.92 40.16 1u8c s ASP 735 CO -0.03 -1.30 0.23 -0.76 -0.00 0.00 0.00 175.17 173.31 1u8c s LEU 736 N -3.69 4.38 0.44 1.23 1.43 -0.88 -2.57 118.68 119.02 1u8c s LEU 736 Ca 0.72 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 1u8c s LEU 736 Cb -0.28 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1u8c s LEU 736 CO 0.32 0.32 0.10 0.00 0.23 0.00 0.00 176.35 177.32 1u8c s ALA 737 N -0.70 3.60 -0.11 4.21 0.00 -0.79 -4.89 121.76 123.07 1u8c s ALA 737 Ca 0.17 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.37 1u8c s ALA 737 Cb -0.13 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1u8c s ALA 737 CO 0.06 -0.14 -0.14 0.08 0.00 0.00 0.00 175.76 175.62 1u8c s VAL 738 N -2.71 1.45 -0.08 0.00 1.01 -1.26 -0.58 120.40 118.23 1u8c s VAL 738 Ca 0.31 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1u8c s VAL 738 Cb 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.12 1u8c s VAL 738 CO 0.17 0.43 0.01 -0.22 0.00 0.00 0.00 175.10 175.49 1u8c s LEU 739 N 1.14 0.59 -0.38 3.92 2.96 -1.26 -5.00 118.68 120.65 1u8c s LEU 739 Ca -0.03 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1u8c s LEU 739 Cb -0.14 -0.43 0.13 0.00 0.50 0.00 0.00 46.19 46.25 1u8c s LEU 739 CO -0.04 -0.21 0.20 0.00 -1.32 0.00 0.00 176.35 174.98 1u8c s ALA 740 N 1.98 1.59 -0.57 5.97 0.00 -1.26 -1.22 121.76 128.25 1u8c s ALA 740 Ca 0.05 -2.12 -0.27 0.00 0.00 0.00 0.00 51.96 49.62 1u8c s ALA 740 Cb -0.13 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1u8c s ALA 740 CO -0.05 -1.98 1.79 0.00 0.00 0.00 0.00 175.76 175.52 1u8c s ALA 741 N 0.90 2.34 -0.02 0.00 0.00 -1.26 -4.63 121.76 119.09 1u8c s ALA 741 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1u8c s ALA 741 Cb -0.22 -4.24 -0.04 0.00 0.00 0.00 0.00 23.12 18.62 1u8c s ALA 741 CO -0.06 -3.61 0.01 0.08 0.00 0.00 0.00 175.76 172.18 1u8c s VAL 742 N 8.40 4.26 0.07 0.00 1.01 -1.26 0.20 120.40 133.08 1u8c s VAL 742 Ca 0.67 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1u8c s VAL 742 Cb -0.14 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1u8c s VAL 742 CO 0.23 0.43 0.11 -1.83 0.00 0.00 0.00 175.10 174.04 1u8c s GLU 743 N -1.40 0.72 -0.03 2.72 -1.05 0.46 -4.95 118.70 115.17 1u8c s GLU 743 Ca 0.18 -0.99 0.05 0.00 -0.15 0.00 0.00 54.97 54.07 1u8c s GLU 743 Cb -0.12 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 33.84 1u8c s GLU 743 CO 0.09 -0.19 -0.18 -1.50 0.95 0.00 0.00 175.26 174.42 1u8c s ILE 744 N -3.59 1.49 0.04 1.83 2.07 -1.26 -1.19 121.20 120.59 1u8c s ILE 744 Ca 0.03 -0.78 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 1u8c s ILE 744 Cb 0.04 -1.25 -0.02 0.00 0.13 0.00 0.00 42.46 41.36 1u8c s ILE 744 CO -0.09 0.42 -0.08 -0.13 -1.91 0.00 0.00 174.94 173.15 1u8c s ARG 745 N -0.27 0.57 0.07 3.50 1.81 0.35 -4.81 118.95 120.16 1u8c s ARG 745 Ca 0.03 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 1u8c s ARG 745 Cb -0.09 -0.41 -0.04 0.00 -0.45 0.00 0.00 34.95 33.96 1u8c s ARG 745 CO 0.00 0.09 -0.04 0.20 -0.68 0.00 0.00 175.30 174.87 1u8c s GLY 746 N -1.31 0.62 -0.22 -3.53 0.00 -1.26 0.12 107.32 101.75 1u8c s GLY 746 Ca -0.06 -1.28 -0.09 0.00 0.00 0.00 0.00 44.72 43.28 1u8c s GLY 746 CO 0.01 -1.38 0.50 0.54 0.00 0.00 0.00 173.10 172.77 1u8c s VAL 747 N -3.81 -0.46 -0.83 1.40 0.11 -0.28 -4.96 120.40 111.57 1u8c s VAL 747 Ca 0.10 0.09 -0.03 0.00 -2.93 0.00 0.00 61.98 59.21 1u8c s VAL 747 Cb 0.07 -0.77 0.20 0.00 -1.53 0.00 0.00 36.38 34.35 1u8c s VAL 747 CO -0.07 0.04 2.33 -0.24 -3.33 0.00 0.00 175.10 173.83 1u8c n SER 748 N 4.96 7.23 0.00 3.54 2.88 -1.26 -1.08 113.62 129.89 1u8c n SER 748 Ca -0.15 -3.46 0.00 0.00 -1.33 0.00 0.00 58.87 53.94 1u8c n SER 748 Cb 0.52 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1u8c n SER 748 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1u8c n SER 749 N 0.48 0.00 -4.55 -3.46 2.88 -0.73 -2.56 113.62 105.68 1u8c n SER 749 Ca 0.53 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.69 1u8c n SER 749 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.78 1u8c n SER 749 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1u8c s PRO 750 N 0.00 2.65 0.00 -1.46 0.02 -1.26 -4.69 135.00 130.26 1u8c s PRO 750 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 61.00 61.51 1u8c s PRO 750 Cb 0.00 -4.44 0.00 0.00 0.02 0.00 0.00 34.50 30.08 1u8c s PRO 750 CO 0.00 -2.76 1.17 -0.40 -0.33 0.00 0.00 177.00 174.68 1u8c n ASP 751 N 12.68 3.22 0.00 2.53 5.68 -1.06 -4.67 116.55 134.93 1u8c n ASP 751 Ca 0.21 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1u8c n ASP 751 Cb 0.51 -0.64 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1u8c n ASP 751 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1u8c n HIS 752 N 1.25 0.00 -3.68 2.11 8.25 -1.26 -4.26 115.22 117.63 1u8c n HIS 752 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1u8c n HIS 752 Cb 0.36 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 1u8c n HIS 752 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1u8c s VAL 753 N -1.98 -0.29 -0.19 1.59 1.01 -0.14 -4.92 120.40 115.49 1u8c s VAL 753 Ca 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1u8c s VAL 753 Cb 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 1u8c s VAL 753 CO 0.00 0.05 0.24 -0.36 0.00 0.00 0.00 175.10 175.03 1u8c s PHE 754 N 1.92 3.42 -0.85 5.22 0.40 -1.26 -0.73 117.98 126.10 1u8c s PHE 754 Ca -0.06 0.47 0.22 0.00 -0.60 0.00 0.00 56.93 56.96 1u8c s PHE 754 Cb -0.10 -2.29 0.90 0.00 0.51 0.00 0.00 43.02 42.03 1u8c s PHE 754 CO -0.13 0.21 1.70 1.28 0.70 0.00 0.00 175.22 178.98 1u8c n LEU 755 N 3.74 0.27 -0.24 -0.37 4.77 0.49 -2.60 117.00 123.07 1u8c n LEU 755 Ca -0.13 0.55 0.27 0.00 -0.03 0.00 0.00 56.01 56.66 1u8c n LEU 755 Cb 0.52 -0.49 0.65 0.00 -2.33 0.00 0.00 43.42 41.77 1u8c n LEU 755 CO 0.38 -0.23 1.26 -0.65 -1.33 0.00 0.00 177.39 176.82 1u8c h PRO 756 N 0.00 0.15 -5.52 3.23 0.11 -1.93 -3.46 132.00 124.58 1u8c h PRO 756 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1u8c h PRO 756 Cb 0.42 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 1u8c h PRO 756 CO 0.00 0.10 -1.02 1.51 -0.21 0.00 0.00 178.00 178.38 1u8c n ILE 757 N -4.36 -8.82 -1.30 4.15 0.13 -1.07 -4.71 119.36 103.38 1u8c n ILE 757 Ca 0.21 1.51 -0.41 0.00 -1.10 0.00 0.00 62.75 62.96 1u8c n ILE 757 Cb 0.94 -5.56 -0.13 0.00 -0.84 0.00 0.00 39.64 34.05 1u8c n ILE 757 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 1u8c n PRO 758 N 1.12 0.00 -0.79 9.51 -0.02 -1.26 -4.41 135.00 139.14 1u8c n PRO 758 Ca -0.06 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.52 1u8c n PRO 758 Cb 0.22 -1.35 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1u8c n PRO 758 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1u8c n ASN 759 N 8.84 -4.24 0.00 2.55 0.23 -1.26 -5.06 115.26 116.32 1u8c n ASN 759 Ca 0.57 0.35 0.00 0.00 -0.53 0.00 0.00 54.58 54.98 1u8c n ASN 759 Cb 0.01 -2.62 0.00 0.00 -2.08 0.00 0.00 39.78 35.09 1u8c n ASN 759 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 1u8c n TRP 760 N -2.59 0.00 -3.68 -2.53 -0.00 -1.26 -5.14 117.44 102.24 1u8c n TRP 760 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 1u8c n TRP 760 Cb 0.59 0.00 -0.18 0.00 -0.00 0.00 0.00 31.31 31.72 1u8c n TRP 760 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1u8c s GLU 761 N -2.37 0.14 -0.77 5.87 2.02 -1.26 -5.07 118.70 117.25 1u8c s GLU 761 Ca 0.00 0.14 -0.26 0.00 0.02 0.00 0.00 54.97 54.87 1u8c s GLU 761 Cb 0.00 -1.09 -0.01 0.00 0.10 0.00 0.00 34.13 33.13 1u8c s GLU 761 CO 0.00 -0.45 1.73 -1.58 0.02 0.00 0.00 175.26 174.99 1u8c s HIS 762 N 2.10 1.92 -0.53 1.61 5.65 -1.26 -4.80 115.29 119.97 1u8c s HIS 762 Ca 0.04 0.39 -0.12 0.00 0.25 0.00 0.00 55.06 55.62 1u8c s HIS 762 Cb -0.14 -4.25 0.13 0.00 -1.18 0.00 0.00 32.58 27.15 1u8c s HIS 762 CO -0.05 -2.06 0.44 0.15 -0.65 0.00 0.00 174.74 172.57 1u8c s LYS 763 N 6.55 2.78 -0.45 2.88 1.02 -1.26 -5.04 119.74 126.21 1u8c s LYS 763 Ca 0.60 -1.82 -0.45 0.00 0.02 0.00 0.00 55.97 54.32 1u8c s LYS 763 Cb -0.08 -4.11 -0.19 0.00 -0.52 0.00 0.00 37.83 32.92 1u8c s LYS 763 CO 0.09 -1.26 1.68 0.39 -0.92 0.00 0.00 175.35 175.34 1u8c n GLU 764 N 4.93 0.25 -2.00 1.68 -0.58 -1.26 -2.00 120.64 121.66 1u8c n GLU 764 Ca -0.08 0.09 -0.04 0.00 -0.42 0.00 0.00 57.16 56.71 1u8c n GLU 764 Cb 0.41 -1.64 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 1u8c n GLU 764 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1u8c n ASN 765 N 4.65 -3.34 -4.56 1.62 4.13 -1.26 -5.01 115.26 111.49 1u8c n ASN 765 Ca 0.32 -0.20 -0.36 0.00 1.68 0.00 0.00 54.58 56.02 1u8c n ASN 765 Cb -0.02 -1.85 0.09 0.00 -1.54 0.00 0.00 39.78 36.46 1u8c n ASN 765 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1u8c n PRO 766 N -2.00 0.37 0.00 3.52 -0.02 -0.85 -4.99 135.00 131.04 1u8c n PRO 766 Ca -0.02 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1u8c n PRO 766 Cb 0.53 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1u8c n PRO 766 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1u8c n GLU 767 N -1.57 0.60 -3.71 -0.52 4.71 -1.26 -4.91 120.64 113.98 1u8c n GLU 767 Ca 0.12 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1u8c n GLU 767 Cb 0.50 -0.50 -0.07 0.00 -1.01 0.00 0.00 31.44 30.36 1u8c n GLU 767 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1u8c s THR 768 N -0.12 0.07 0.17 2.62 -4.23 -1.26 -4.23 115.64 108.66 1u8c s THR 768 Ca 0.00 -0.58 -0.28 0.00 -1.18 0.00 0.00 61.69 59.65 1u8c s THR 768 Cb 0.00 -0.96 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1u8c s THR 768 CO 0.00 -0.32 1.55 -0.33 -0.54 0.00 0.00 174.62 174.98 1u8c h GLU 769 N 3.08 -0.08 -0.16 3.99 5.08 -1.82 0.61 114.58 125.28 1u8c h GLU 769 Ca -0.32 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 1u8c h GLU 769 Cb 1.20 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1u8c h GLU 769 CO 0.45 -0.06 0.12 1.49 -1.00 0.00 0.00 179.01 180.01 1u8c h GLU 770 N -0.09 0.02 0.00 2.33 4.22 -1.98 0.31 114.58 119.39 1u8c h GLU 770 Ca 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.63 1u8c h GLU 770 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1u8c h GLU 770 CO -0.87 0.01 0.00 -0.25 -2.18 0.00 0.00 179.01 175.72 1u8c n ASP 771 N -4.49 0.00 -0.02 1.04 10.43 0.19 -4.12 116.55 119.58 1u8c n ASP 771 Ca 0.01 0.45 -0.02 0.00 2.57 0.00 0.00 54.79 57.80 1u8c n ASP 771 Cb 0.24 -0.48 -0.01 0.00 1.84 0.00 0.00 41.12 42.71 1u8c n ASP 771 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1u8c n VAL 772 N -1.48 0.32 -1.75 2.53 0.31 0.10 -4.49 118.33 113.87 1u8c n VAL 772 Ca 0.05 0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.76 1u8c n VAL 772 Cb 0.20 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 1u8c n VAL 772 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u8c n GLY 773 N 1.74 -1.22 3.72 2.92 0.00 -0.82 -3.11 105.19 108.43 1u8c n GLY 773 Ca -0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.80 1u8c n GLY 773 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8c s PRO 774 N -0.91 0.57 -0.78 1.61 0.04 -1.26 -4.52 135.00 129.75 1u8c s PRO 774 Ca 0.00 0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.20 1u8c s PRO 774 Cb 0.00 -1.77 0.16 0.00 0.04 0.00 0.00 34.50 32.93 1u8c s PRO 774 CO 0.00 -2.59 0.84 0.08 0.04 0.00 0.00 177.00 175.36 1u8c s VAL 775 N -3.14 5.14 0.64 -0.36 1.01 -1.26 -1.52 120.40 120.92 1u8c s VAL 775 Ca 0.65 -1.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 1u8c s VAL 775 Cb -0.16 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.65 1u8c s VAL 775 CO 0.55 -1.18 1.04 -0.69 0.00 0.00 0.00 175.10 174.83 1u8c s VAL 776 N 1.58 4.28 -0.28 2.92 1.01 -1.26 -4.84 120.40 123.81 1u8c s VAL 776 Ca 0.20 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 62.89 1u8c s VAL 776 Cb -0.13 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.79 1u8c s VAL 776 CO -0.05 -0.90 0.60 -1.58 0.00 0.00 0.00 175.10 173.17 1u8c s GLN 777 N -4.90 0.53 -0.00 2.72 0.74 -1.26 -2.84 119.66 114.64 1u8c s GLN 777 Ca 0.58 1.37 -0.01 0.00 0.05 0.00 0.00 55.36 57.34 1u8c s GLN 777 Cb -0.13 0.76 -0.04 0.00 1.10 0.00 0.00 33.01 34.71 1u8c s GLN 777 CO 0.51 -0.22 0.12 -1.01 -0.55 0.00 0.00 175.29 174.14 1u8c s HIS 778 N 2.84 3.38 -0.05 1.67 3.76 -1.00 -1.77 115.29 124.13 1u8c s HIS 778 Ca -0.05 0.26 0.01 0.00 -0.15 0.00 0.00 55.06 55.13 1u8c s HIS 778 Cb -0.12 -1.77 0.02 0.00 1.11 0.00 0.00 32.58 31.82 1u8c s HIS 778 CO -0.18 0.59 -0.05 0.42 -0.85 0.00 0.00 174.74 174.67 1u8c s ILE 779 N -1.26 0.58 -0.05 0.60 1.01 -0.24 -2.08 121.20 119.76 1u8c s ILE 779 Ca 0.25 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.83 1u8c s ILE 779 Cb -0.12 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.73 1u8c s ILE 779 CO 0.16 0.24 -0.24 -0.31 0.00 0.00 0.00 174.94 174.79 1u8c s TYR 780 N 1.01 2.29 -0.06 3.97 1.51 -0.58 -1.13 117.35 124.37 1u8c s TYR 780 Ca -0.10 -0.61 0.03 0.00 -1.01 0.00 0.00 57.07 55.38 1u8c s TYR 780 Cb -0.14 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 1u8c s TYR 780 CO -0.00 -0.16 -0.16 -2.00 -1.11 0.00 0.00 175.55 172.12 1u8c s GLU 781 N -0.25 1.88 -0.17 -0.62 2.12 0.12 -0.60 118.70 121.18 1u8c s GLU 781 Ca -0.00 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.76 1u8c s GLU 781 Cb -0.12 -1.56 -0.01 0.00 0.26 0.00 0.00 34.13 32.69 1u8c s GLU 781 CO 0.02 0.14 -0.10 -1.17 -0.54 0.00 0.00 175.26 173.62 1u8c s LEU 782 N 0.33 2.80 -0.03 2.70 2.96 -0.80 -0.50 118.68 126.14 1u8c s LEU 782 Ca -0.10 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1u8c s LEU 782 Cb -0.14 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.90 1u8c s LEU 782 CO 0.04 0.09 0.06 -0.60 -1.32 0.00 0.00 176.35 174.62 1u8c s ARG 783 N 0.78 0.05 -0.36 1.98 3.52 -0.33 -1.04 118.95 123.56 1u8c s ARG 783 Ca -0.04 0.14 -0.16 0.00 -0.13 0.00 0.00 55.73 55.55 1u8c s ARG 783 Cb -0.15 -0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.18 1u8c s ARG 783 CO 0.01 -0.06 0.38 1.21 -0.81 0.00 0.00 175.30 176.03 1u8c s ASN 784 N 0.40 6.19 -0.26 -2.12 3.04 -0.87 -0.40 114.94 120.92 1u8c s ASN 784 Ca -0.03 -0.30 -0.04 0.00 0.04 0.00 0.00 52.86 52.53 1u8c s ASN 784 Cb -0.05 -2.21 -0.15 0.00 -1.54 0.00 0.00 41.25 37.31 1u8c s ASN 784 CO -0.01 -0.39 -0.26 0.59 -3.04 0.00 0.00 177.10 173.98 1u8c n ASN 785 N 5.44 1.97 -4.19 -4.21 3.02 0.53 -1.12 115.26 116.71 1u8c n ASN 785 Ca -0.09 0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.13 1u8c n ASN 785 Cb 0.49 -0.56 0.03 0.00 -0.61 0.00 0.00 39.78 39.12 1u8c n ASN 785 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8c n GLY 786 N 1.90 -3.55 0.47 7.41 0.00 -0.31 -4.37 105.19 106.74 1u8c n GLY 786 Ca -0.49 -0.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 1u8c n GLY 786 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u8c h PRO 787 N -0.39 -1.03 -6.69 1.61 0.13 -1.79 -3.41 132.00 120.43 1u8c h PRO 787 Ca -0.42 0.07 -0.52 0.00 -0.87 0.00 0.00 66.00 64.25 1u8c h PRO 787 Cb 1.39 0.23 0.03 0.00 0.13 0.00 0.00 31.00 32.78 1u8c h PRO 787 CO 0.35 -0.69 0.63 -1.54 -0.23 0.00 0.00 178.00 176.53 1u8c s SER 788 N -4.28 6.92 0.73 1.44 1.04 -0.36 -4.26 113.70 114.94 1u8c s SER 788 Ca -0.18 2.39 -0.04 0.00 0.48 0.00 0.00 55.95 58.60 1u8c s SER 788 Cb 0.04 -2.61 0.11 0.00 0.10 0.00 0.00 66.02 63.66 1u8c s SER 788 CO 0.61 -0.50 1.02 -0.94 0.98 0.00 0.00 173.24 174.41 1u8c s SER 789 N 0.23 4.37 0.31 7.02 1.04 -1.26 -4.19 113.70 121.21 1u8c s SER 789 Ca 0.55 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.93 1u8c s SER 789 Cb -0.36 -0.37 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 1u8c s SER 789 CO 0.39 -1.85 0.09 0.72 0.98 0.00 0.00 173.24 173.57 1u8c s PHE 790 N -3.22 1.74 -0.04 5.02 -0.12 -0.98 -4.70 117.98 115.68 1u8c s PHE 790 Ca 0.65 -1.12 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1u8c s PHE 790 Cb -0.07 -1.08 -0.01 0.00 -0.63 0.00 0.00 43.02 41.23 1u8c s PHE 790 CO 0.45 -0.21 0.04 -1.13 -0.05 0.00 0.00 175.22 174.32 1u8c n SER 791 N -0.70 0.98 -3.67 1.98 3.41 0.27 -2.56 113.62 113.34 1u8c n SER 791 Ca -0.02 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.08 1u8c n SER 791 Cb 0.66 1.01 -0.09 0.00 -0.26 0.00 0.00 64.21 65.53 1u8c n SER 791 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1u8c s LYS 792 N -1.29 0.59 0.06 4.33 1.02 0.63 -3.74 119.74 121.34 1u8c s LYS 792 Ca 0.00 0.98 -0.09 0.00 0.02 0.00 0.00 55.97 56.88 1u8c s LYS 792 Cb 0.01 0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1u8c s LYS 792 CO 0.04 -0.14 0.18 0.00 -0.92 0.00 0.00 175.35 174.52 1u8c s ALA 793 N 1.25 -0.25 0.01 5.17 0.00 -1.08 -0.73 121.76 126.12 1u8c s ALA 793 Ca -0.08 -0.49 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1u8c s ALA 793 Cb -0.06 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.40 1u8c s ALA 793 CO -0.13 -0.43 -0.08 -1.64 0.00 0.00 0.00 175.76 173.48 1u8c s MET 794 N -3.23 2.50 -0.14 0.00 -1.94 0.19 0.25 119.30 116.94 1u8c s MET 794 Ca 0.00 -0.75 0.01 0.00 -1.71 0.00 0.00 55.69 53.24 1u8c s MET 794 Cb 0.02 -2.47 0.02 0.00 2.01 0.00 0.00 34.83 34.41 1u8c s MET 794 CO -0.08 0.60 -0.16 -1.17 -0.01 0.00 0.00 175.02 174.20 1u8c s LEU 795 N -1.41 1.77 -0.23 -0.03 2.96 0.11 -0.96 118.68 120.89 1u8c s LEU 795 Ca 0.17 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.60 1u8c s LEU 795 Cb -0.11 -1.19 0.04 0.00 0.50 0.00 0.00 46.19 45.43 1u8c s LEU 795 CO 0.07 -0.01 -0.13 -1.00 -1.32 0.00 0.00 176.35 173.96 1u8c s HIS 796 N 1.24 3.08 -0.32 5.38 3.76 0.26 -0.90 115.29 127.78 1u8c s HIS 796 Ca -0.00 -1.98 -0.02 0.00 -0.15 0.00 0.00 55.06 52.91 1u8c s HIS 796 Cb -0.14 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.66 1u8c s HIS 796 CO -0.07 -0.83 0.03 -1.17 -0.85 0.00 0.00 174.74 171.85 1u8c s LEU 797 N 1.20 4.09 0.09 0.89 2.96 -0.70 0.11 118.68 127.32 1u8c s LEU 797 Ca -0.03 -1.35 -0.21 0.00 -0.22 0.00 0.00 54.13 52.32 1u8c s LEU 797 Cb -0.17 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.71 1u8c s LEU 797 CO -0.07 -0.30 0.64 -1.10 -1.32 0.00 0.00 176.35 174.20 1u8c s GLN 798 N 1.25 4.33 -0.01 1.98 -0.21 0.20 -1.58 119.66 125.61 1u8c s GLN 798 Ca -0.03 0.87 0.04 0.00 0.02 0.00 0.00 55.36 56.26 1u8c s GLN 798 Cb -0.20 -3.26 -0.01 0.00 1.00 0.00 0.00 33.01 30.54 1u8c s GLN 798 CO -0.01 0.59 -0.13 -0.46 -2.12 0.00 0.00 175.29 173.15 1u8c s TRP 799 N -1.02 1.21 -1.06 0.91 -0.11 -0.08 -2.30 118.94 116.48 1u8c s TRP 799 Ca 0.31 -0.24 -0.25 0.00 1.22 0.00 0.00 56.10 57.15 1u8c s TRP 799 Cb -0.21 -0.79 -0.16 0.00 -1.50 0.00 0.00 33.47 30.81 1u8c s TRP 799 CO 0.21 -0.03 1.98 -0.35 -4.62 0.00 0.00 176.95 174.14 1u8c n PRO 800 N 2.80 0.98 0.31 5.86 -0.04 -1.25 -1.64 135.00 142.02 1u8c n PRO 800 Ca -0.14 -2.08 -0.14 0.00 -0.04 0.00 0.00 63.50 61.09 1u8c n PRO 800 Cb 0.55 -3.69 -0.07 0.00 -0.04 0.00 0.00 33.50 30.24 1u8c n PRO 800 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1u8c h TYR 801 N 10.30 -0.75 -3.15 0.54 3.20 -1.78 -3.28 116.97 122.06 1u8c h TYR 801 Ca 0.16 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1u8c h TYR 801 Cb 0.93 0.25 -0.14 0.00 1.54 0.00 0.00 36.73 39.30 1u8c h TYR 801 CO 1.13 -0.42 -0.03 0.15 -1.64 0.00 0.00 178.16 177.34 1u8c s LYS 802 N -4.69 1.05 -0.16 1.82 1.02 -0.99 -2.27 119.74 115.53 1u8c s LYS 802 Ca -0.14 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.43 1u8c s LYS 802 Cb 0.02 0.47 -0.16 0.00 -0.52 0.00 0.00 37.83 37.63 1u8c s LYS 802 CO 0.45 -0.40 -0.01 0.98 -0.92 0.00 0.00 175.35 175.45 1u8c n TYR 803 N 0.06 0.00 -2.74 3.18 -0.00 -0.16 -0.67 117.16 116.83 1u8c n TYR 803 Ca -0.17 0.00 -0.08 0.00 -0.00 0.00 0.00 57.90 57.65 1u8c n TYR 803 Cb 0.62 -0.72 0.06 0.00 -0.00 0.00 0.00 39.34 39.31 1u8c n TYR 803 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1u8c n ASN 804 N -2.69 -2.62 -0.21 2.98 3.02 -1.26 -4.76 115.26 109.71 1u8c n ASN 804 Ca -0.26 -3.28 -0.03 0.00 -0.03 0.00 0.00 54.58 50.97 1u8c n ASN 804 Cb 0.94 1.78 -0.01 0.00 -0.61 0.00 0.00 39.78 41.87 1u8c n ASN 804 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1u8c n ASN 805 N 1.28 -5.69 -4.28 6.41 3.02 -1.26 -4.91 115.26 109.82 1u8c n ASN 805 Ca 0.07 0.07 -0.34 0.00 -0.03 0.00 0.00 54.58 54.35 1u8c n ASN 805 Cb 0.66 -3.44 -0.14 0.00 -0.61 0.00 0.00 39.78 36.24 1u8c n ASN 805 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1u8c s ASN 806 N -2.12 4.01 0.55 6.41 0.01 -1.26 -5.10 114.94 117.44 1u8c s ASN 806 Ca 0.00 -0.43 -0.21 0.00 -0.71 0.00 0.00 52.86 51.50 1u8c s ASN 806 Cb 0.00 -1.66 -0.05 0.00 0.41 0.00 0.00 41.25 39.95 1u8c s ASN 806 CO 0.00 0.02 1.33 -0.89 -1.51 0.00 0.00 177.10 176.04 1u8c s THR 807 N 1.25 2.19 0.00 1.60 2.01 -1.26 -0.98 115.64 120.44 1u8c s THR 807 Ca 0.03 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.17 1u8c s THR 807 Cb -0.14 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.30 1u8c s THR 807 CO -0.04 -0.01 0.00 0.18 -0.69 0.00 0.00 174.62 174.07 1u8c n LEU 808 N -1.08 0.00 -4.24 4.42 4.32 -0.96 -4.75 117.00 114.71 1u8c n LEU 808 Ca 0.11 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.67 1u8c n LEU 808 Cb 0.46 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.19 1u8c n LEU 808 CO 0.51 0.00 0.09 -0.76 -1.22 0.00 0.00 177.39 176.02 1u8c s LEU 809 N -0.33 5.93 -0.58 2.23 1.43 -1.24 -1.32 118.68 124.81 1u8c s LEU 809 Ca 0.00 -2.10 -0.27 0.00 -1.03 0.00 0.00 54.13 50.73 1u8c s LEU 809 Cb 0.00 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1u8c s LEU 809 CO 0.00 -0.68 1.91 -0.47 0.23 0.00 0.00 176.35 177.34 1u8c s TYR 810 N 1.09 1.61 -0.05 0.29 5.04 0.22 -4.56 117.35 120.99 1u8c s TYR 810 Ca 0.08 0.86 -0.30 0.00 -2.44 0.00 0.00 57.07 55.28 1u8c s TYR 810 Cb -0.24 -4.04 -0.07 0.00 0.35 0.00 0.00 41.96 37.96 1u8c s TYR 810 CO -0.01 -2.37 1.90 0.42 -1.34 0.00 0.00 175.55 174.14 1u8c s ILE 811 N 9.27 3.22 0.02 3.14 1.01 -1.26 -0.52 121.20 136.07 1u8c s ILE 811 Ca 0.71 0.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 1u8c s ILE 811 Cb -0.14 -3.19 -0.28 0.00 0.01 0.00 0.00 42.46 38.86 1u8c s ILE 811 CO 0.22 -0.05 0.91 -0.07 0.00 0.00 0.00 174.94 175.95 1u8c h LEU 812 N 11.30 0.41 0.00 2.97 3.38 -1.13 -3.38 115.31 128.85 1u8c h LEU 812 Ca -0.44 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 56.99 1u8c h LEU 812 Cb 1.22 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1u8c h LEU 812 CO 0.95 1.44 0.00 0.00 0.09 0.00 0.00 178.44 180.92 1u8c n HIS 813 N -3.47 0.00 -3.83 1.13 1.44 -1.18 -4.61 115.22 104.69 1u8c n HIS 813 Ca -0.15 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.45 1u8c n HIS 813 Cb 1.04 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 31.07 1u8c n HIS 813 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1u8c s TYR 814 N -2.00 0.03 0.34 -1.40 1.13 -1.26 -1.09 117.35 113.10 1u8c s TYR 814 Ca 0.00 -0.25 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 1u8c s TYR 814 Cb 0.00 -0.01 -0.06 0.00 -1.10 0.00 0.00 41.96 40.79 1u8c s TYR 814 CO 0.00 -0.45 0.06 -0.51 -2.51 0.00 0.00 175.55 172.15 1u8c s ASP 815 N -2.12 2.47 0.01 -0.18 1.01 0.20 -4.91 116.67 113.16 1u8c s ASP 815 Ca -0.05 -1.41 0.00 0.00 0.71 0.00 0.00 52.55 51.81 1u8c s ASP 815 Cb -0.01 -0.03 -0.01 0.00 1.01 0.00 0.00 42.92 43.89 1u8c s ASP 815 CO -0.04 -0.64 -0.01 -0.63 0.21 0.00 0.00 175.17 174.06 1u8c s ILE 816 N -3.27 0.06 -0.25 0.77 1.01 -1.26 0.12 121.20 118.38 1u8c s ILE 816 Ca 0.35 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.59 1u8c s ILE 816 Cb 0.08 -0.13 0.07 0.00 0.01 0.00 0.00 42.46 42.50 1u8c s ILE 816 CO 0.15 -0.22 0.01 -0.62 0.00 0.00 0.00 174.94 174.27 1u8c s ASP 817 N -0.64 3.68 0.00 3.58 -1.08 -0.38 -4.95 116.67 116.87 1u8c s ASP 817 Ca -0.07 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 50.72 1u8c s ASP 817 Cb -0.04 -0.97 0.00 0.00 -1.46 0.00 0.00 42.92 40.45 1u8c s ASP 817 CO -0.00 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 175.99 1u8c n GLY 818 N 4.79 0.66 3.58 2.66 0.00 -1.26 -0.24 105.19 115.38 1u8c n GLY 818 Ca -0.08 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 1u8c n GLY 818 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u8c s PRO 819 N -0.68 2.91 -0.05 1.61 0.04 -1.26 -4.87 135.00 132.70 1u8c s PRO 819 Ca 0.00 -1.32 -0.24 0.00 0.04 0.00 0.00 61.00 59.47 1u8c s PRO 819 Cb 0.00 -5.31 0.05 0.00 0.04 0.00 0.00 34.50 29.28 1u8c s PRO 819 CO 0.00 -3.45 0.54 1.41 0.04 0.00 0.00 177.00 175.54 1u8c s MET 820 N 5.88 0.89 -0.03 4.56 1.75 -1.26 -1.39 119.30 129.70 1u8c s MET 820 Ca 0.64 0.16 0.03 0.00 -1.25 0.00 0.00 55.69 55.27 1u8c s MET 820 Cb 0.00 0.41 0.00 0.00 2.84 0.00 0.00 34.83 38.09 1u8c s MET 820 CO 0.10 -0.25 -0.10 -0.80 -0.65 0.00 0.00 175.02 173.32 1u8c s ASN 821 N -1.08 1.34 0.16 1.11 0.01 -1.05 -4.98 114.94 110.44 1u8c s ASN 821 Ca -0.11 -0.21 0.07 0.00 -0.71 0.00 0.00 52.86 51.91 1u8c s ASN 821 Cb -0.02 -0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 1u8c s ASN 821 CO 0.07 0.08 -0.16 0.00 -1.51 0.00 0.00 177.10 175.58 1u8c s THR 823 N -2.33 0.02 -0.17 0.00 2.01 0.68 -4.93 115.64 110.91 1u8c s THR 823 Ca 0.15 -0.14 -0.05 0.00 0.31 0.00 0.00 61.69 61.96 1u8c s THR 823 Cb -0.04 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1u8c s THR 823 CO 0.05 -0.08 0.00 -0.55 -0.69 0.00 0.00 174.62 173.36 1u8c s SER 824 N -0.21 5.13 0.18 3.53 0.15 -1.26 0.11 113.70 121.33 1u8c s SER 824 Ca -0.03 -0.05 0.17 0.00 0.70 0.00 0.00 55.95 56.75 1u8c s SER 824 Cb -0.02 -1.86 0.79 0.00 -1.71 0.00 0.00 66.02 63.22 1u8c s SER 824 CO -0.00 0.17 1.52 -0.90 1.20 0.00 0.00 173.24 175.22 1u8c n ASP 825 N 3.57 0.39 -4.09 5.45 3.85 -0.41 -4.63 116.55 120.68 1u8c n ASP 825 Ca -0.17 0.63 -0.16 0.00 -0.71 0.00 0.00 54.79 54.38 1u8c n ASP 825 Cb 0.52 -0.70 -0.12 0.00 -1.35 0.00 0.00 41.12 39.47 1u8c n ASP 825 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 1u8c s MET 826 N -3.27 0.65 0.26 0.11 -1.94 -1.26 -5.02 119.30 108.84 1u8c s MET 826 Ca 0.02 -0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 52.95 1u8c s MET 826 Cb 0.07 -0.54 -0.10 0.00 2.01 0.00 0.00 34.83 36.27 1u8c s MET 826 CO 0.24 0.12 1.42 -1.21 -0.01 0.00 0.00 175.02 175.58 1u8c s GLU 827 N -1.40 4.28 -0.04 2.03 0.41 -1.26 -4.97 118.70 117.75 1u8c s GLU 827 Ca -0.05 2.28 -0.25 0.00 -0.41 0.00 0.00 54.97 56.55 1u8c s GLU 827 Cb -0.09 -3.11 -0.19 0.00 -1.78 0.00 0.00 34.13 28.97 1u8c s GLU 827 CO 0.01 -0.38 1.09 -0.84 -0.49 0.00 0.00 175.26 174.64 1u8c h ILE 828 N 3.48 1.19 -2.50 -1.63 -0.00 -1.94 -3.37 117.51 112.74 1u8c h ILE 828 Ca -0.46 -1.21 -0.72 0.00 -0.00 0.00 0.00 64.86 62.47 1u8c h ILE 828 Cb 1.22 1.94 -0.33 0.00 -0.00 0.00 0.00 36.82 39.64 1u8c h ILE 828 CO 0.76 0.29 0.28 -3.20 -0.00 0.00 0.00 178.15 176.27 1u8c n ASN 829 N -4.88 5.67 -0.14 2.16 2.85 -1.26 -4.65 115.26 115.00 1u8c n ASN 829 Ca -0.08 -3.52 0.17 0.00 -0.11 0.00 0.00 54.58 51.04 1u8c n ASN 829 Cb 0.28 -0.99 0.55 0.00 1.24 0.00 0.00 39.78 40.85 1u8c n ASN 829 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1u8c h PRO 830 N 4.51 0.31 -0.11 1.20 0.13 -1.92 0.73 132.00 136.85 1u8c h PRO 830 Ca 0.26 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1u8c h PRO 830 Cb 0.55 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1u8c h PRO 830 CO 1.10 0.20 0.00 1.28 -0.23 0.00 0.00 178.00 180.36 1u8c n LEU 831 N -4.45 1.25 -0.94 1.56 4.32 -1.26 -4.90 117.00 112.58 1u8c n LEU 831 Ca 0.14 -0.51 -0.06 0.00 -0.02 0.00 0.00 56.01 55.56 1u8c n LEU 831 Cb 0.58 -0.07 -0.03 0.00 -1.62 0.00 0.00 43.42 42.28 1u8c n LEU 831 CO 0.34 0.25 -0.06 0.54 -1.22 0.00 0.00 177.39 177.24 1u8c n ARG 832 N 0.04 -1.38 -1.35 3.23 3.00 0.26 -4.75 116.66 115.70 1u8c n ARG 832 Ca 0.16 0.42 -0.12 0.00 -0.01 0.00 0.00 57.85 58.30 1u8c n ARG 832 Cb 0.27 -4.36 -0.11 0.00 0.00 0.00 0.00 32.46 28.25 1u8c n ARG 832 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1u8c n ILE 833 N -1.36 0.00 -0.45 0.55 5.41 -1.26 -4.88 119.36 117.36 1u8c n ILE 833 Ca -0.06 -0.43 -0.30 0.00 1.00 0.00 0.00 62.75 62.95 1u8c n ILE 833 Cb 0.25 -0.56 0.28 0.00 -0.71 0.00 0.00 39.64 38.91 1u8c n ILE 833 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1u8c s LYS 834 N 6.82 -2.46 1.36 0.38 -0.14 -1.26 -4.83 119.74 119.61 1u8c s LYS 834 Ca 0.75 0.26 -0.23 0.00 -1.36 0.00 0.00 55.97 55.39 1u8c s LYS 834 Cb -0.35 -1.42 0.35 0.00 -1.68 0.00 0.00 37.83 34.73 1u8c s LYS 834 CO 0.26 -4.59 0.90 1.51 -0.76 0.00 0.00 175.35 172.66 1u8c n ILE 835 N -5.45 0.00 -2.42 2.17 3.06 -1.26 -4.20 119.36 111.27 1u8c n ILE 835 Ca 0.11 -0.13 -0.43 0.00 -2.50 0.00 0.00 62.75 59.79 1u8c n ILE 835 Cb 0.59 -1.03 -0.02 0.00 0.54 0.00 0.00 39.64 39.71 1u8c n ILE 835 CO 0.00 0.00 0.00 -0.44 -2.50 0.00 0.00 176.55 173.61 1u8c s SER 836 N -3.43 6.49 -1.13 9.51 0.01 -1.26 -4.61 113.70 119.28 1u8c s SER 836 Ca 0.66 0.89 -0.08 0.00 1.31 0.00 0.00 55.95 58.72 1u8c s SER 836 Cb -0.10 -2.54 0.27 0.00 0.21 0.00 0.00 66.02 63.86 1u8c s SER 836 CO 0.54 -1.29 1.28 -1.54 0.41 0.00 0.00 173.24 172.64 1u8c n SER 837 N 8.28 5.68 -4.56 2.44 3.41 -1.26 -5.05 113.62 122.56 1u8c n SER 837 Ca 0.15 -3.12 -0.28 0.00 -0.26 0.00 0.00 58.87 55.36 1u8c n SER 837 Cb 0.48 -1.38 -0.05 0.00 -0.26 0.00 0.00 64.21 63.00 1u8c n SER 837 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1u8c s LEU 838 N -1.24 3.16 0.00 1.04 1.43 -1.26 -5.15 118.68 116.66 1u8c s LEU 838 Ca 0.33 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1u8c s LEU 838 Cb -0.05 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.63 1u8c s LEU 838 CO -0.02 -2.83 0.00 0.47 0.23 0.00 0.00 176.35 174.20 1u8c n ASP 868 N 14.49 0.00 -0.90 2.29 8.00 -1.26 -5.34 116.55 133.83 1u8c n ASP 868 Ca 0.36 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.86 1u8c n ASP 868 Cb 0.48 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 1u8c n ASP 868 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8c n ILE 869 N 0.87 0.00 0.05 0.53 0.13 -1.26 -4.95 119.36 114.73 1u8c n ILE 869 Ca 0.00 -0.28 0.00 0.00 -1.10 0.00 0.00 62.75 61.37 1u8c n ILE 869 Cb 0.00 0.53 0.00 0.00 -0.84 0.00 0.00 39.64 39.33 1u8c n ILE 869 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1u8c n HIS 870 N 0.14 -0.92 -3.09 9.51 -0.00 -1.26 -4.81 115.22 114.79 1u8c n HIS 870 Ca -0.05 0.16 -0.43 0.00 0.46 0.00 0.00 57.72 57.86 1u8c n HIS 870 Cb 0.78 0.49 -0.06 0.00 -0.12 0.00 0.00 29.99 31.08 1u8c n HIS 870 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1u8c s THR 871 N -1.38 4.79 -1.02 3.57 2.01 -1.26 0.20 115.64 122.55 1u8c s THR 871 Ca 0.00 -0.12 -0.13 0.00 0.31 0.00 0.00 61.69 61.74 1u8c s THR 871 Cb 0.00 -4.29 0.21 0.00 0.01 0.00 0.00 72.50 68.43 1u8c s THR 871 CO 0.00 -0.76 1.08 -0.76 -0.69 0.00 0.00 174.62 173.49 1u8c s LEU 872 N 2.89 6.00 0.00 4.42 1.43 -0.68 -4.86 118.68 127.88 1u8c s LEU 872 Ca 0.20 -2.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.36 1u8c s LEU 872 Cb -0.16 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1u8c s LEU 872 CO 0.16 -0.59 0.00 0.61 0.23 0.00 0.00 176.35 176.76 1u8c n GLY 873 N 3.83 2.66 0.20 -3.19 0.00 -1.26 -2.62 105.19 104.80 1u8c n GLY 873 Ca 0.23 -2.12 0.09 0.00 0.00 0.00 0.00 46.02 44.23 1u8c n GLY 873 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8c h GLY 875 N 3.87 0.42 0.00 0.00 0.00 -1.97 -3.07 103.07 102.32 1u8c h GLY 875 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1u8c h GLY 875 CO 0.02 0.19 0.00 3.33 0.00 0.00 0.00 176.54 180.08 1u8c n VAL 876 N -4.39 0.89 -4.11 4.60 0.24 -1.20 -5.05 118.33 109.32 1u8c n VAL 876 Ca 0.01 -0.92 -0.12 0.00 -2.04 0.00 0.00 64.34 61.27 1u8c n VAL 876 Cb 0.16 0.56 -0.11 0.00 -1.47 0.00 0.00 33.84 32.98 1u8c n VAL 876 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u8c s ALA 877 N -0.89 0.74 0.03 2.33 0.00 0.37 -4.88 121.76 119.47 1u8c s ALA 877 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1u8c s ALA 877 Cb 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 1u8c s ALA 877 CO 0.00 -0.11 1.92 -0.65 0.00 0.00 0.00 175.76 176.92 1u8c s GLN 878 N -2.50 4.15 0.29 0.00 1.11 0.15 -4.42 119.66 118.44 1u8c s GLN 878 Ca -0.01 2.55 -0.12 0.00 0.01 0.00 0.00 55.36 57.79 1u8c s GLN 878 Cb -0.04 -4.12 -0.08 0.00 -1.01 0.00 0.00 33.01 27.77 1u8c s GLN 878 CO -0.02 -0.93 0.66 0.00 0.01 0.00 0.00 175.29 175.01 1u8c s LEU 880 N -3.02 1.45 -0.21 0.00 0.20 -0.65 -4.84 118.68 111.60 1u8c s LEU 880 Ca 0.51 -0.45 -0.10 0.00 0.69 0.00 0.00 54.13 54.78 1u8c s LEU 880 Cb -0.11 -0.95 -0.05 0.00 -0.43 0.00 0.00 46.19 44.65 1u8c s LEU 880 CO 0.21 -0.12 0.13 -0.54 -0.29 0.00 0.00 176.35 175.74 1u8c s LYS 881 N 1.63 4.09 -0.18 1.98 1.02 -1.26 -0.91 119.74 126.11 1u8c s LYS 881 Ca 0.04 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.74 1u8c s LYS 881 Cb -0.13 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.74 1u8c s LYS 881 CO -0.09 0.18 -0.10 0.42 -0.92 0.00 0.00 175.35 174.84 1u8c s ILE 882 N 0.68 3.00 -0.01 2.17 1.01 -0.62 -1.29 121.20 126.14 1u8c s ILE 882 Ca 0.07 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1u8c s ILE 882 Cb -0.12 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 1u8c s ILE 882 CO 0.01 0.48 -0.04 -0.69 0.00 0.00 0.00 174.94 174.70 1u8c s VAL 883 N 1.06 3.83 -0.04 2.92 1.01 0.30 -1.72 120.40 127.76 1u8c s VAL 883 Ca -0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1u8c s VAL 883 Cb -0.15 -2.66 0.02 0.00 0.00 0.00 0.00 36.38 33.60 1u8c s VAL 883 CO -0.02 0.43 -0.03 0.00 0.00 0.00 0.00 175.10 175.48 1u8c s GLN 885 N 1.02 4.09 -0.11 0.00 1.11 0.28 0.06 119.66 126.12 1u8c s GLN 885 Ca -0.10 -0.03 -0.11 0.00 0.01 0.00 0.00 55.36 55.14 1u8c s GLN 885 Cb -0.14 -3.57 -0.05 0.00 -1.01 0.00 0.00 33.01 28.25 1u8c s GLN 885 CO -0.01 -0.06 0.25 0.08 0.01 0.00 0.00 175.29 175.56 1u8c s VAL 886 N 1.40 5.32 0.00 1.09 1.01 0.14 -2.54 120.40 126.82 1u8c s VAL 886 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.58 1u8c s VAL 886 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1u8c s VAL 886 CO 0.07 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.31 1u8c n GLY 887 N 2.53 -0.52 3.39 4.51 0.00 -0.49 -2.65 105.19 111.95 1u8c n GLY 887 Ca -0.16 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 1u8c n GLY 887 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u8c s ARG 888 N 0.00 3.51 -0.22 1.61 3.52 -1.25 -3.22 118.95 122.91 1u8c s ARG 888 Ca 0.00 -0.57 -0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1u8c s ARG 888 Cb 0.00 -3.04 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1u8c s ARG 888 CO 0.00 -0.07 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.86 1u8c s LEU 889 N 1.18 2.85 0.00 -0.88 1.43 -1.06 -4.91 118.68 117.30 1u8c s LEU 889 Ca 0.03 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 1u8c s LEU 889 Cb -0.14 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1u8c s LEU 889 CO 0.00 -0.02 0.18 0.47 0.23 0.00 0.00 176.35 177.21 1u8c n ASP 890 N 4.79 0.05 -4.71 2.29 8.00 -1.26 -2.33 116.55 123.37 1u8c n ASP 890 Ca -0.18 -1.09 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1u8c n ASP 890 Cb 0.51 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 1u8c n ASP 890 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8c s ARG 891 N -3.28 4.36 -0.14 -1.24 1.70 -1.26 -3.31 118.95 115.78 1u8c s ARG 891 Ca 0.10 1.97 -0.00 0.00 -0.47 0.00 0.00 55.73 57.33 1u8c s ARG 891 Cb -0.00 -3.28 0.00 0.00 -0.57 0.00 0.00 34.95 31.10 1u8c s ARG 891 CO 0.07 -0.37 0.06 0.41 -1.08 0.00 0.00 175.30 174.39 1u8c n GLY 892 N 3.39 0.60 3.24 3.88 0.00 -0.28 -5.03 105.19 110.99 1u8c n GLY 892 Ca 0.11 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.30 1u8c n GLY 892 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8c s LYS 893 N -4.70 1.37 0.16 1.61 -0.14 -1.21 -5.03 119.74 111.80 1u8c s LYS 893 Ca 0.03 -1.75 -0.24 0.00 -1.36 0.00 0.00 55.97 52.65 1u8c s LYS 893 Cb -0.01 0.19 0.06 0.00 -1.68 0.00 0.00 37.83 36.38 1u8c s LYS 893 CO 0.04 -0.44 0.83 -1.54 -0.76 0.00 0.00 175.35 173.49 1u8c s SER 894 N -3.24 -0.29 0.15 2.83 1.04 -1.26 -2.05 113.70 110.88 1u8c s SER 894 Ca 0.39 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.61 1u8c s SER 894 Cb 0.06 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1u8c s SER 894 CO 0.16 -0.97 -0.26 0.00 0.98 0.00 0.00 173.24 173.14 1u8c s ALA 895 N -3.48 2.42 -0.03 5.32 0.00 -0.20 -4.64 121.76 121.15 1u8c s ALA 895 Ca 0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 51.96 50.52 1u8c s ALA 895 Cb -0.02 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1u8c s ALA 895 CO -0.01 0.50 0.05 0.42 0.00 0.00 0.00 175.76 176.73 1u8c s ILE 896 N -1.25 -0.06 -0.23 0.00 1.01 0.66 -1.90 121.20 119.43 1u8c s ILE 896 Ca 0.16 0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.93 1u8c s ILE 896 Cb -0.09 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.21 1u8c s ILE 896 CO 0.07 0.09 0.16 -0.22 0.00 0.00 0.00 174.94 175.04 1u8c s LEU 897 N 1.16 4.13 -0.61 2.97 0.20 0.23 -1.25 118.68 125.51 1u8c s LEU 897 Ca -0.08 0.14 -0.02 0.00 0.69 0.00 0.00 54.13 54.85 1u8c s LEU 897 Cb -0.13 -2.11 0.16 0.00 -0.43 0.00 0.00 46.19 43.68 1u8c s LEU 897 CO -0.04 0.08 0.42 -0.31 -0.29 0.00 0.00 176.35 176.22 1u8c s TYR 898 N 0.93 3.41 -0.22 5.38 4.12 0.12 -1.53 117.35 129.55 1u8c s TYR 898 Ca 0.08 -2.73 -0.21 0.00 0.02 0.00 0.00 57.07 54.23 1u8c s TYR 898 Cb -0.13 -3.18 -0.02 0.00 -1.52 0.00 0.00 41.96 37.11 1u8c s TYR 898 CO 0.03 -0.84 0.64 0.08 0.02 0.00 0.00 175.55 175.48 1u8c s VAL 899 N -0.03 5.00 -0.64 0.71 1.01 -0.88 0.61 120.40 126.18 1u8c s VAL 899 Ca 0.17 1.18 -0.03 0.00 0.00 0.00 0.00 61.98 63.29 1u8c s VAL 899 Cb -0.21 -3.95 0.17 0.00 0.00 0.00 0.00 36.38 32.39 1u8c s VAL 899 CO -0.03 0.07 0.46 -0.75 0.00 0.00 0.00 175.10 174.85 1u8c s LYS 900 N 2.19 2.62 0.00 2.72 2.36 -0.25 -2.37 119.74 127.02 1u8c s LYS 900 Ca 0.28 -2.57 0.00 0.00 -2.55 0.00 0.00 55.97 51.13 1u8c s LYS 900 Cb -0.16 -3.76 0.00 0.00 -1.05 0.00 0.00 37.83 32.87 1u8c s LYS 900 CO 0.09 -1.18 0.00 -1.13 1.55 0.00 0.00 175.35 174.68 1u8c n SER 901 N 3.43 0.00 -3.57 1.43 3.41 -1.13 -0.68 113.62 116.51 1u8c n SER 901 Ca 0.09 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.68 1u8c n SER 901 Cb 0.38 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1u8c n SER 901 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1u8c s LEU 902 N 0.00 -0.77 -0.56 1.04 2.96 0.33 -4.15 118.68 117.53 1u8c s LEU 902 Ca 0.00 1.12 -0.27 0.00 -0.22 0.00 0.00 54.13 54.76 1u8c s LEU 902 Cb 0.00 1.97 -0.02 0.00 0.50 0.00 0.00 46.19 48.63 1u8c s LEU 902 CO 0.00 -0.16 1.90 -0.22 -1.32 0.00 0.00 176.35 176.54 1u8c s LEU 903 N 2.13 3.33 -0.07 -0.68 2.96 -0.58 0.72 118.68 126.50 1u8c s LEU 903 Ca -0.06 0.54 -0.29 0.00 -0.22 0.00 0.00 54.13 54.09 1u8c s LEU 903 Cb -0.07 -2.67 -0.07 0.00 0.50 0.00 0.00 46.19 43.89 1u8c s LEU 903 CO -0.18 -2.33 2.01 0.86 -1.32 0.00 0.00 176.35 175.39 1u8c s TRP 904 N 9.05 1.34 -1.10 5.38 -0.11 -0.43 -3.85 118.94 129.21 1u8c s TRP 904 Ca 0.72 -0.03 0.00 0.00 1.22 0.00 0.00 56.10 58.00 1u8c s TRP 904 Cb -0.14 -4.11 0.00 0.00 -1.50 0.00 0.00 33.47 27.72 1u8c s TRP 904 CO 0.23 -4.82 0.31 2.41 -4.62 0.00 0.00 176.95 170.47 1u8c n THR 905 N 6.32 0.00 1.29 5.86 -1.04 -1.18 -3.73 114.28 121.81 1u8c n THR 905 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 1u8c n THR 905 Cb 0.43 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1u8c n THR 905 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u8c n GLU 906 N 0.15 0.98 -0.03 -2.82 4.71 -1.26 -3.33 120.64 119.03 1u8c n GLU 906 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1u8c n GLU 906 Cb 0.13 -1.34 0.01 0.00 -1.01 0.00 0.00 31.44 29.23 1u8c n GLU 906 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1u8c n THR 907 N -0.15 0.82 -3.68 2.62 -1.04 -1.24 -4.72 114.28 106.88 1u8c n THR 907 Ca 0.00 -0.05 -0.38 0.00 -2.04 0.00 0.00 64.05 61.57 1u8c n THR 907 Cb 0.17 -0.86 -0.12 0.00 -1.82 0.00 0.00 70.33 67.70 1u8c n THR 907 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1u8c s PHE 908 N -0.34 3.16 -0.09 -1.42 0.08 -1.21 -4.94 117.98 113.23 1u8c s PHE 908 Ca 0.02 -0.62 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1u8c s PHE 908 Cb 0.01 -2.33 0.10 0.00 -0.57 0.00 0.00 43.02 40.24 1u8c s PHE 908 CO 0.00 -0.46 0.84 -1.64 -0.10 0.00 0.00 175.22 173.86 1u8c s MET 909 N 1.60 0.84 0.00 0.44 -1.94 -1.26 -5.06 119.30 113.91 1u8c s MET 909 Ca 0.04 0.16 0.00 0.00 -1.71 0.00 0.00 55.69 54.18 1u8c s MET 909 Cb -0.17 0.39 0.00 0.00 2.01 0.00 0.00 34.83 37.07 1u8c s MET 909 CO 0.05 -0.27 0.00 0.27 -0.01 0.00 0.00 175.02 175.06 1u8c n ASN 910 N 0.73 0.00 0.23 3.03 6.94 -1.26 -4.01 115.26 120.91 1u8c n ASN 910 Ca -0.14 0.00 0.16 0.00 -0.02 0.00 0.00 54.58 54.57 1u8c n ASN 910 Cb 0.58 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.70 1u8c n ASN 910 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 1u8c h LYS 911 N 0.00 0.00 -4.94 -3.83 3.11 -2.02 -3.39 116.57 105.51 1u8c h LYS 911 Ca 0.00 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 57.17 1u8c h LYS 911 Cb 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 32.23 30.87 1u8c h LYS 911 CO 0.00 0.00 -0.82 -1.83 -2.81 0.00 0.00 179.45 173.99 1u8c s GLU 912 N -3.62 2.52 0.00 1.90 4.04 -1.26 -5.08 118.70 117.21 1u8c s GLU 912 Ca 0.01 -1.15 0.00 0.00 0.04 0.00 0.00 54.97 53.86 1u8c s GLU 912 Cb 0.09 -2.77 0.00 0.00 0.02 0.00 0.00 34.13 31.47 1u8c s GLU 912 CO 0.43 -0.43 0.00 0.27 -1.84 0.00 0.00 175.26 173.68 1u8c n ASN 913 N 4.50 0.00 -4.43 0.83 0.23 -1.26 -4.07 115.26 111.07 1u8c n ASN 913 Ca -0.17 0.00 -0.44 0.00 -0.53 0.00 0.00 54.58 53.44 1u8c n ASN 913 Cb 0.45 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.07 1u8c n ASN 913 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1u8c s GLN 914 N 0.00 3.04 -0.70 -3.83 -0.21 -1.26 -4.68 119.66 112.02 1u8c s GLN 914 Ca 0.00 -1.09 -0.27 0.00 0.02 0.00 0.00 55.36 54.02 1u8c s GLN 914 Cb 0.00 -4.08 0.03 0.00 1.00 0.00 0.00 33.01 29.96 1u8c s GLN 914 CO 0.00 -1.04 1.25 1.21 -2.12 0.00 0.00 175.29 174.60 1u8c s ASN 915 N 2.43 6.22 0.00 5.90 3.84 -1.26 -4.89 114.94 127.19 1u8c s ASN 915 Ca 0.09 -0.34 -0.00 0.00 0.21 0.00 0.00 52.86 52.81 1u8c s ASN 915 Cb -0.21 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.93 1u8c s ASN 915 CO 0.10 -1.76 0.00 0.00 -2.79 0.00 0.00 177.10 172.65 1u8c n HIS 916 N 9.14 -0.78 -0.05 0.43 1.44 -1.26 -4.83 115.22 119.32 1u8c n HIS 916 Ca 0.04 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 1u8c n HIS 916 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 1u8c n HIS 916 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1u8c n SER 917 N -1.45 0.00 -4.14 4.39 7.64 -1.26 -4.95 113.62 113.86 1u8c n SER 917 Ca -0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1u8c n SER 917 Cb 0.00 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1u8c n SER 917 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1u8c s TYR 918 N 0.00 1.48 -0.61 1.43 2.02 -0.87 -4.38 117.35 116.43 1u8c s TYR 918 Ca 0.00 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1u8c s TYR 918 Cb 0.00 -0.97 0.15 0.00 -0.40 0.00 0.00 41.96 40.75 1u8c s TYR 918 CO 0.00 -0.05 0.39 0.45 -1.57 0.00 0.00 175.55 174.77 1u8c s SER 919 N -0.29 4.83 -0.05 2.29 0.15 0.52 -1.52 113.70 119.62 1u8c s SER 919 Ca 0.04 -3.09 -0.30 0.00 0.70 0.00 0.00 55.95 53.30 1u8c s SER 919 Cb -0.07 -1.74 -0.06 0.00 -1.71 0.00 0.00 66.02 62.44 1u8c s SER 919 CO -0.00 -0.26 1.66 -0.76 1.20 0.00 0.00 173.24 175.07 1u8c s LEU 920 N -0.41 4.32 0.19 3.45 1.43 -0.89 -1.69 118.68 125.10 1u8c s LEU 920 Ca 0.19 2.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.62 1u8c s LEU 920 Cb -0.20 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 1u8c s LEU 920 CO -0.04 -0.93 -0.08 -0.75 0.23 0.00 0.00 176.35 174.78 1u8c s LYS 921 N 4.04 2.09 -0.18 1.70 2.20 -1.08 -0.53 119.74 127.97 1u8c s LYS 921 Ca 0.74 -1.30 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 1u8c s LYS 921 Cb -0.33 -2.15 0.05 0.00 -1.51 0.00 0.00 37.83 33.88 1u8c s LYS 921 CO 0.30 0.42 0.47 -1.54 -0.36 0.00 0.00 175.35 174.64 1u8c s SER 922 N -2.96 -0.54 0.25 1.43 1.04 -0.93 -3.76 113.70 108.23 1u8c s SER 922 Ca 0.26 0.98 0.09 0.00 0.48 0.00 0.00 55.95 57.76 1u8c s SER 922 Cb -0.08 0.93 -0.05 0.00 0.10 0.00 0.00 66.02 66.92 1u8c s SER 922 CO 0.16 -0.18 -0.15 -0.94 0.98 0.00 0.00 173.24 173.10 1u8c s SER 923 N 0.77 3.10 -0.14 7.02 1.04 -0.97 -1.22 113.70 123.29 1u8c s SER 923 Ca -0.04 -1.06 -0.06 0.00 0.48 0.00 0.00 55.95 55.27 1u8c s SER 923 Cb -0.05 -0.22 0.07 0.00 0.10 0.00 0.00 66.02 65.91 1u8c s SER 923 CO -0.06 -0.11 0.31 0.00 0.98 0.00 0.00 173.24 174.36 1u8c s ALA 924 N -2.76 -0.73 0.27 5.32 0.00 -0.63 -0.63 121.76 122.60 1u8c s ALA 924 Ca 0.27 1.13 0.11 0.00 0.00 0.00 0.00 51.96 53.47 1u8c s ALA 924 Cb -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 23.12 22.06 1u8c s ALA 924 CO 0.11 -0.53 -0.15 -1.54 0.00 0.00 0.00 175.76 173.65 1u8c s SER 925 N 2.11 3.83 0.04 0.00 1.04 0.12 -2.07 113.70 118.76 1u8c s SER 925 Ca -0.03 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.52 1u8c s SER 925 Cb -0.11 -0.44 -0.02 0.00 0.10 0.00 0.00 66.02 65.55 1u8c s SER 925 CO -0.10 0.04 -0.09 0.72 0.98 0.00 0.00 173.24 174.79 1u8c s PHE 926 N -2.39 0.79 -0.12 5.02 -0.12 -0.28 -0.58 117.98 120.30 1u8c s PHE 926 Ca 0.30 -0.43 -0.00 0.00 -0.05 0.00 0.00 56.93 56.74 1u8c s PHE 926 Cb -0.06 -0.47 0.03 0.00 -0.63 0.00 0.00 43.02 41.89 1u8c s PHE 926 CO 0.16 -0.04 -0.08 1.21 -0.05 0.00 0.00 175.22 176.42 1u8c s ASN 927 N -1.40 2.25 -0.40 1.98 2.47 -0.13 -3.24 114.94 116.47 1u8c s ASN 927 Ca -0.06 -0.34 -0.23 0.00 0.42 0.00 0.00 52.86 52.65 1u8c s ASN 927 Cb -0.09 -0.86 0.02 0.00 -1.45 0.00 0.00 41.25 38.87 1u8c s ASN 927 CO 0.01 -0.12 0.80 -0.69 -3.72 0.00 0.00 177.10 173.38 1u8c s VAL 928 N 1.70 4.67 -0.12 -5.21 1.01 -0.42 0.54 120.40 122.57 1u8c s VAL 928 Ca 0.05 0.73 0.20 0.00 0.00 0.00 0.00 61.98 62.95 1u8c s VAL 928 Cb -0.13 -4.28 -0.29 0.00 0.00 0.00 0.00 36.38 31.69 1u8c s VAL 928 CO -0.08 -0.58 0.26 2.30 0.00 0.00 0.00 175.10 177.00 1u8c n ILE 929 N 5.98 0.74 -3.70 2.22 -5.35 0.09 -4.04 119.36 115.30 1u8c n ILE 929 Ca 0.03 -0.68 -0.11 0.00 -0.27 0.00 0.00 62.75 61.71 1u8c n ILE 929 Cb 0.48 -0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.04 1u8c n ILE 929 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1u8c s GLU 930 N -2.95 0.50 0.32 6.28 2.02 -0.78 -4.97 118.70 119.12 1u8c s GLU 930 Ca -0.09 0.76 0.08 0.00 0.02 0.00 0.00 54.97 55.74 1u8c s GLU 930 Cb 0.10 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 1u8c s GLU 930 CO 0.85 -0.11 0.15 -0.06 0.02 0.00 0.00 175.26 176.11 1u8c s PHE 931 N 0.87 2.78 -1.98 1.61 0.08 -1.26 0.97 117.98 121.05 1u8c s PHE 931 Ca -0.05 -0.32 0.10 0.00 0.12 0.00 0.00 56.93 56.79 1u8c s PHE 931 Cb -0.06 -1.58 0.30 0.00 -0.57 0.00 0.00 43.02 41.12 1u8c s PHE 931 CO -0.07 0.37 1.25 -0.35 -0.10 0.00 0.00 175.22 176.32 1u8c n PRO 932 N -1.15 1.80 -0.10 0.24 -0.04 -1.26 -4.18 135.00 130.30 1u8c n PRO 932 Ca -0.04 -1.22 -0.18 0.00 -0.04 0.00 0.00 63.50 62.03 1u8c n PRO 932 Cb 0.60 -1.27 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 1u8c n PRO 932 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1u8c h TYR 933 N 1.97 0.00 0.00 0.54 0.99 -1.94 -3.38 116.97 115.15 1u8c h TYR 933 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1u8c h TYR 933 Cb 0.46 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.19 1u8c h TYR 933 CO 0.23 1.14 0.00 1.63 -0.00 0.00 0.00 178.16 181.16 1u8c n LYS 934 N -4.48 0.00 0.00 4.88 5.02 -1.26 -4.31 118.16 118.01 1u8c n LYS 934 Ca -0.26 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1u8c n LYS 934 Cb 0.58 -1.50 0.37 0.00 -0.02 0.00 0.00 35.03 34.46 1u8c n LYS 934 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1u8c n ASN 935 N 0.00 1.10 -4.67 4.39 5.15 -1.26 -4.86 115.26 115.10 1u8c n ASN 935 Ca 0.00 -0.95 -0.31 0.00 -0.60 0.00 0.00 54.58 52.72 1u8c n ASN 935 Cb 0.00 0.14 -0.08 0.00 -0.53 0.00 0.00 39.78 39.30 1u8c n ASN 935 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1u8c s LEU 936 N -2.47 3.43 0.31 1.20 1.43 -1.26 -4.90 118.68 116.42 1u8c s LEU 936 Ca 0.25 -0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1u8c s LEU 936 Cb 0.19 -2.11 -0.11 0.00 0.03 0.00 0.00 46.19 44.19 1u8c s LEU 936 CO 0.51 0.20 1.59 -2.84 0.23 0.00 0.00 176.35 176.05 1u8c s PRO 937 N -2.09 4.10 0.00 1.29 0.02 -1.26 -5.00 135.00 132.06 1u8c s PRO 937 Ca 0.24 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.86 1u8c s PRO 937 Cb -0.12 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1u8c s PRO 937 CO 0.16 -0.64 0.00 0.44 -0.33 0.00 0.00 177.00 176.63 1u8c n ILE 938 N 1.92 0.00 -3.67 2.83 -5.35 -1.26 -4.57 119.36 109.25 1u8c n ILE 938 Ca 0.07 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.47 1u8c n ILE 938 Cb 0.37 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.25 1u8c n ILE 938 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1u8c s GLU 939 N -1.78 1.52 -0.29 6.28 8.01 -1.26 -5.13 118.70 126.04 1u8c s GLU 939 Ca 0.00 -0.74 -0.15 0.00 0.01 0.00 0.00 54.97 54.09 1u8c s GLU 939 Cb 0.00 0.58 -0.03 0.00 -4.31 0.00 0.00 34.13 30.37 1u8c s GLU 939 CO 0.00 -0.68 0.36 -0.51 0.01 0.00 0.00 175.26 174.43 1u8c s ASP 940 N -2.84 6.21 -0.03 -0.19 -0.00 -1.26 -5.00 116.67 113.56 1u8c s ASP 940 Ca 0.07 0.10 -0.26 0.00 -0.00 0.00 0.00 52.55 52.46 1u8c s ASP 940 Cb -0.04 -2.20 -0.04 0.00 -0.00 0.00 0.00 42.92 40.65 1u8c s ASP 940 CO -0.02 -0.22 0.81 -0.63 -0.00 0.00 0.00 175.17 175.11 1u8c s ILE 941 N 2.04 4.95 -0.04 0.77 1.01 -1.26 -4.96 121.20 123.71 1u8c s ILE 941 Ca 0.13 1.69 -0.20 0.00 0.00 0.00 0.00 60.65 62.27 1u8c s ILE 941 Cb -0.16 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.20 1u8c s ILE 941 CO 0.11 0.23 0.44 -0.89 0.00 0.00 0.00 174.94 174.82 1u8c s THR 942 N 0.79 0.03 0.00 2.92 2.01 -1.26 -1.30 115.64 118.83 1u8c s THR 942 Ca 0.43 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1u8c s THR 942 Cb -0.19 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1u8c s THR 942 CO 0.22 -0.16 0.00 -3.20 -0.69 0.00 0.00 174.62 170.80 1u8c n ASN 943 N 1.33 0.00 -1.48 3.53 2.85 -1.20 -5.03 115.26 115.27 1u8c n ASN 943 Ca -0.20 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.24 1u8c n ASN 943 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1u8c n ASN 943 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1u8c n SER 944 N 0.00 -0.52 -3.68 1.20 3.41 -1.26 -1.13 113.62 111.63 1u8c n SER 944 Ca 0.00 -1.44 -0.02 0.00 -0.26 0.00 0.00 58.87 57.15 1u8c n SER 944 Cb 0.00 0.89 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1u8c n SER 944 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1u8c s THR 945 N -2.70 0.00 0.09 6.66 -1.32 -0.88 -4.91 115.64 112.59 1u8c s THR 945 Ca 0.05 -0.43 0.02 0.00 -1.21 0.00 0.00 61.69 60.12 1u8c s THR 945 Cb -0.01 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 69.07 1u8c s THR 945 CO 0.04 0.00 -0.07 -1.48 -2.21 0.00 0.00 174.62 170.90 1u8c s LEU 946 N -2.88 2.48 -0.02 9.08 2.34 -1.26 -1.61 118.68 126.81 1u8c s LEU 946 Ca 0.12 -0.96 0.00 0.00 0.06 0.00 0.00 54.13 53.36 1u8c s LEU 946 Cb 0.01 -0.09 0.02 0.00 -0.56 0.00 0.00 46.19 45.57 1u8c s LEU 946 CO -0.01 -0.43 0.02 0.68 -1.06 0.00 0.00 176.35 175.54 1u8c s VAL 947 N -3.37 0.01 0.33 1.48 -7.23 -0.36 -4.87 120.40 106.39 1u8c s VAL 947 Ca 0.10 0.14 0.08 0.00 -1.81 0.00 0.00 61.98 60.49 1u8c s VAL 947 Cb 0.04 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.83 1u8c s VAL 947 CO -0.04 0.09 0.18 0.42 -0.31 0.00 0.00 175.10 175.43 1u8c s THR 948 N 0.84 3.23 -0.30 5.32 -4.23 -1.26 -2.19 115.64 117.05 1u8c s THR 948 Ca -0.07 -1.60 -0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1u8c s THR 948 Cb -0.11 -3.04 0.10 0.00 1.34 0.00 0.00 72.50 70.79 1u8c s THR 948 CO -0.02 -0.19 0.13 -0.89 -0.54 0.00 0.00 174.62 173.11 1u8c s THR 949 N -2.38 0.17 -0.15 3.99 2.01 0.31 -4.60 115.64 114.99 1u8c s THR 949 Ca 0.38 -1.00 -0.25 0.00 0.31 0.00 0.00 61.69 61.13 1u8c s THR 949 Cb -0.04 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1u8c s THR 949 CO 0.24 -0.74 0.83 0.20 -0.69 0.00 0.00 174.62 174.45 1u8c s ASN 950 N 1.89 6.98 -0.13 3.53 0.01 -1.26 -2.09 114.94 123.87 1u8c s ASN 950 Ca 0.10 1.20 -0.04 0.00 -0.71 0.00 0.00 52.86 53.41 1u8c s ASN 950 Cb -0.17 -2.46 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 1u8c s ASN 950 CO -0.31 -0.37 0.03 -0.69 -1.51 0.00 0.00 177.10 174.25 1u8c s VAL 951 N 1.99 4.50 0.34 1.60 1.01 -0.58 -0.97 120.40 128.29 1u8c s VAL 951 Ca 0.39 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1u8c s VAL 951 Cb -0.17 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1u8c s VAL 951 CO 0.14 0.55 0.50 0.42 0.00 0.00 0.00 175.10 176.70 1u8c s THR 952 N -0.34 0.00 -0.12 3.92 -4.23 0.09 -2.05 115.64 112.91 1u8c s THR 952 Ca 0.08 -1.53 0.01 0.00 -1.18 0.00 0.00 61.69 59.07 1u8c s THR 952 Cb -0.12 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.12 1u8c s THR 952 CO 0.02 0.00 -0.14 0.26 -0.54 0.00 0.00 174.62 174.22 1u8c s TRP 953 N -3.10 1.96 -0.26 3.99 0.52 -1.26 0.18 118.94 120.98 1u8c s TRP 953 Ca 0.28 -0.96 -0.08 0.00 0.02 0.00 0.00 56.10 55.36 1u8c s TRP 953 Cb -0.01 -1.43 -0.15 0.00 -1.15 0.00 0.00 33.47 30.73 1u8c s TRP 953 CO 0.18 -0.52 -0.22 0.41 0.02 0.00 0.00 176.95 176.82 1u8c n GLY 954 N 4.39 -0.45 2.75 0.98 0.00 -1.26 -4.44 105.19 107.15 1u8c n GLY 954 Ca -0.18 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 1u8c n GLY 954 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8c n ILE 955 N -3.84 3.45 0.20 -0.61 -0.00 -1.26 -5.13 119.36 112.17 1u8c n ILE 955 Ca -0.48 -4.13 0.02 0.00 -0.00 0.00 0.00 62.75 58.15 1u8c n ILE 955 Cb 0.92 -1.23 0.10 0.00 -0.00 0.00 0.00 39.64 39.43 1u8c n ILE 955 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55