#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1skr s ILE 2 N 0.00 1.60 -0.08 1.12 -4.36 -0.16 -1.85 121.20 117.47 1skr s ILE 2 Ca 0.00 -1.96 0.05 0.00 -0.26 0.00 0.00 60.65 58.48 1skr s ILE 2 Cb 0.00 -1.81 -0.01 0.00 1.25 0.00 0.00 42.46 41.89 1skr s ILE 2 CO 0.00 -0.47 -0.23 -0.69 0.24 0.00 0.00 174.94 173.80 1skr s VAL 3 N -2.46 2.23 0.23 8.37 1.01 -0.14 -0.23 120.40 129.42 1skr s VAL 3 Ca 0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1skr s VAL 3 Cb -0.03 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1skr s VAL 3 CO 0.05 0.56 0.25 -0.55 0.00 0.00 0.00 175.10 175.42 1skr s SER 4 N -0.01 0.24 -0.14 3.32 0.15 0.21 -0.66 113.70 116.81 1skr s SER 4 Ca -0.07 -1.30 -0.30 0.00 0.70 0.00 0.00 55.95 54.98 1skr s SER 4 Cb -0.15 0.46 0.12 0.00 -1.71 0.00 0.00 66.02 64.75 1skr s SER 4 CO 0.05 -0.96 0.97 -0.62 1.20 0.00 0.00 173.24 173.88 1skr s ASP 5 N -3.14 -0.38 0.24 5.45 2.15 -1.11 -4.42 116.67 115.45 1skr s ASP 5 Ca 0.34 0.37 0.04 0.00 0.43 0.00 0.00 52.55 53.73 1skr s ASP 5 Cb 0.04 0.32 -0.05 0.00 -0.30 0.00 0.00 42.92 42.93 1skr s ASP 5 CO 0.13 -0.39 -0.01 0.27 -0.17 0.00 0.00 175.17 175.00 1skr s ILE 6 N -1.38 1.14 -0.07 4.11 -4.36 -1.26 -1.82 121.20 117.56 1skr s ILE 6 Ca -0.01 -2.05 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 1skr s ILE 6 Cb -0.00 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.36 1skr s ILE 6 CO 0.01 -0.32 -0.14 -1.61 0.24 0.00 0.00 174.94 173.12 1skr s GLU 7 N -3.84 1.87 0.28 0.37 0.41 0.74 -4.97 118.70 113.56 1skr s GLU 7 Ca 0.28 -0.47 0.02 0.00 -0.41 0.00 0.00 54.97 54.39 1skr s GLU 7 Cb 0.05 -1.52 -0.05 0.00 -1.78 0.00 0.00 34.13 30.83 1skr s GLU 7 CO 0.09 0.04 0.11 0.00 -0.49 0.00 0.00 175.26 175.02 1skr s ALA 8 N 0.64 1.88 -1.01 5.21 0.00 -1.26 -0.90 121.76 126.33 1skr s ALA 8 Ca -0.15 -1.82 0.21 0.00 0.00 0.00 0.00 51.96 50.20 1skr s ALA 8 Cb -0.16 1.04 0.90 0.00 0.00 0.00 0.00 23.12 24.90 1skr s ALA 8 CO 0.04 -0.46 1.67 0.27 0.00 0.00 0.00 175.76 177.29 1skr n ASN 9 N -0.64 0.00 -3.52 0.00 6.94 -0.81 -4.88 115.26 112.34 1skr n ASN 9 Ca -0.00 0.49 -0.01 0.00 -0.02 0.00 0.00 54.58 55.04 1skr n ASN 9 Cb 0.66 -0.50 0.01 0.00 -2.36 0.00 0.00 39.78 37.59 1skr n ASN 9 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1skr s ALA 10 N -2.99 -1.86 0.85 -2.53 0.00 -1.26 -4.63 121.76 109.33 1skr s ALA 10 Ca 0.10 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.81 1skr s ALA 10 Cb 0.14 0.76 0.10 0.00 0.00 0.00 0.00 23.12 24.13 1skr s ALA 10 CO 0.38 -1.08 1.13 -0.51 0.00 0.00 0.00 175.76 175.67 1skr s LEU 11 N -3.46 2.95 0.31 0.00 1.43 -1.26 -4.45 118.68 114.20 1skr s LEU 11 Ca 0.23 2.06 0.06 0.00 -1.03 0.00 0.00 54.13 55.45 1skr s LEU 11 Cb -0.02 -4.55 0.84 0.00 0.03 0.00 0.00 46.19 42.49 1skr s LEU 11 CO 0.03 -2.64 1.65 0.25 0.23 0.00 0.00 176.35 175.87 1skr h LEU 12 N -1.49 0.16 -1.23 1.79 5.85 -1.94 -0.16 115.31 118.29 1skr h LEU 12 Ca -0.43 0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1skr h LEU 12 Cb 1.25 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1skr h LEU 12 CO 0.46 -0.15 0.58 -0.33 -0.34 0.00 0.00 178.44 178.65 1skr h GLU 13 N 0.25 0.77 0.00 1.25 3.07 -2.00 -3.16 114.58 114.75 1skr h GLU 13 Ca 0.61 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1skr h GLU 13 Cb 1.30 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1skr h GLU 13 CO -0.64 0.51 -0.05 -1.13 -1.40 0.00 0.00 179.01 176.29 1skr n SER 14 N -4.56 1.47 -4.76 1.42 3.41 -0.73 -5.06 113.62 104.82 1skr n SER 14 Ca 0.17 -2.05 -0.41 0.00 -0.26 0.00 0.00 58.87 56.31 1skr n SER 14 Cb 0.39 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1skr n SER 14 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1skr s VAL 15 N -1.14 2.24 0.00 -3.33 0.11 -0.15 -4.84 120.40 113.29 1skr s VAL 15 Ca 0.07 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1skr s VAL 15 Cb 0.07 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1skr s VAL 15 CO 0.01 0.04 0.02 0.35 -3.33 0.00 0.00 175.10 172.19 1skr n THR 16 N 1.61 0.00 -3.85 5.04 -2.24 -1.26 -4.91 114.28 108.67 1skr n THR 16 Ca 0.05 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1skr n THR 16 Cb 0.39 1.16 -0.14 0.00 -2.10 0.00 0.00 70.33 69.64 1skr n THR 16 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1skr s LYS 17 N -0.19 0.00 -0.23 -0.78 1.02 -1.26 -4.83 119.74 113.47 1skr s LYS 17 Ca 0.00 0.04 -0.17 0.00 0.02 0.00 0.00 55.97 55.86 1skr s LYS 17 Cb 0.00 -0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.24 1skr s LYS 17 CO 0.00 -0.03 0.45 0.12 -0.92 0.00 0.00 175.35 174.97 1skr s PHE 18 N 0.18 3.31 -0.19 3.18 5.36 -1.26 -1.93 117.98 126.63 1skr s PHE 18 Ca -0.01 0.61 -0.16 0.00 -0.96 0.00 0.00 56.93 56.40 1skr s PHE 18 Cb -0.02 -2.62 -0.12 0.00 -0.34 0.00 0.00 43.02 39.92 1skr s PHE 18 CO -0.01 -0.15 -0.01 0.72 -1.46 0.00 0.00 175.22 174.31 1skr n HIS 19 N 5.03 0.86 -3.81 10.12 8.25 -0.08 -4.69 115.22 130.90 1skr n HIS 19 Ca -0.06 0.37 -0.05 0.00 -0.26 0.00 0.00 57.72 57.71 1skr n HIS 19 Cb 0.50 -0.93 -0.01 0.00 1.12 0.00 0.00 29.99 30.67 1skr n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1skr s GLY 21 N -2.96 -0.35 -0.01 0.00 0.00 -0.37 -0.19 107.32 103.46 1skr s GLY 21 Ca 0.12 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.25 1skr s GLY 21 CO 0.05 0.10 -0.10 0.14 0.00 0.00 0.00 173.10 173.29 1skr s VAL 22 N -2.69 0.82 -0.09 1.40 1.01 -0.76 -0.58 120.40 119.52 1skr s VAL 22 Ca -0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1skr s VAL 22 Cb -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1skr s VAL 22 CO -0.04 0.22 -0.06 -0.63 0.00 0.00 0.00 175.10 174.59 1skr s ILE 23 N -0.28 0.81 -0.22 2.22 1.01 -0.81 -2.77 121.20 121.17 1skr s ILE 23 Ca 0.04 -0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 1skr s ILE 23 Cb -0.04 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1skr s ILE 23 CO -0.00 0.32 0.07 -0.47 0.00 0.00 0.00 174.94 174.86 1skr s TYR 24 N 1.58 3.17 -0.24 3.97 5.04 0.16 -1.52 117.35 129.51 1skr s TYR 24 Ca 0.01 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.45 1skr s TYR 24 Cb -0.13 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 40.00 1skr s TYR 24 CO -0.05 -0.08 0.04 0.34 -1.34 0.00 0.00 175.55 174.45 1skr s ASP 25 N 0.98 4.93 0.40 4.32 -1.08 -0.91 -0.96 116.67 124.34 1skr s ASP 25 Ca 0.04 -0.24 0.08 0.00 -0.52 0.00 0.00 52.55 51.92 1skr s ASP 25 Cb -0.14 -1.87 0.82 0.00 -1.46 0.00 0.00 42.92 40.27 1skr s ASP 25 CO 0.03 -0.01 1.98 1.88 0.52 0.00 0.00 175.17 179.56 1skr h TYR 26 N 8.08 0.37 0.00 -5.34 0.05 -1.71 1.05 116.97 119.47 1skr h TYR 26 Ca -0.39 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.27 1skr h TYR 26 Cb 1.17 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1skr h TYR 26 CO 0.64 0.35 -0.48 0.66 -1.05 0.00 0.00 178.16 178.28 1skr h SER 27 N 0.36 0.00 0.00 3.88 4.64 -1.92 -3.23 113.55 117.28 1skr h SER 27 Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1skr h SER 27 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1skr h SER 27 CO 0.00 0.48 -1.90 0.35 -0.87 0.00 0.00 176.83 174.88 1skr n THR 28 N -3.79 0.45 -2.33 2.95 -2.24 -1.06 -5.01 114.28 103.25 1skr n THR 28 Ca -0.01 -0.51 -0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1skr n THR 28 Cb 0.52 -0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1skr n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1skr n ALA 29 N -2.30 -0.42 -2.45 6.98 0.00 0.36 -5.03 120.51 117.65 1skr n ALA 29 Ca -0.12 0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1skr n ALA 29 Cb 0.68 -1.74 -0.11 0.00 0.00 0.00 0.00 19.45 18.28 1skr n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1skr s GLU 30 N -4.75 1.26 -0.14 0.00 2.02 -1.20 -4.94 118.70 110.95 1skr s GLU 30 Ca 0.03 -1.40 -0.07 0.00 0.02 0.00 0.00 54.97 53.55 1skr s GLU 30 Cb -0.01 -1.31 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 1skr s GLU 30 CO 0.04 0.27 0.11 0.71 0.02 0.00 0.00 175.26 176.40 1skr s TYR 31 N -2.05 3.45 -0.10 1.61 1.51 -1.26 -2.14 117.35 118.37 1skr s TYR 31 Ca 0.15 0.37 0.01 0.00 -1.01 0.00 0.00 57.07 56.60 1skr s TYR 31 Cb -0.06 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1skr s TYR 31 CO 0.06 0.51 -0.12 0.08 -1.11 0.00 0.00 175.55 174.97 1skr s VAL 32 N -0.46 1.27 0.12 0.71 1.01 -0.57 -4.98 120.40 117.49 1skr s VAL 32 Ca 0.11 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1skr s VAL 32 Cb -0.12 -1.19 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 1skr s VAL 32 CO 0.02 0.40 0.46 -0.44 0.00 0.00 0.00 175.10 175.54 1skr s SER 33 N 1.08 6.70 -0.19 3.32 0.01 -1.26 -1.93 113.70 121.42 1skr s SER 33 Ca -0.06 0.89 -0.01 0.00 1.31 0.00 0.00 55.95 58.09 1skr s SER 33 Cb -0.15 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 63.92 1skr s SER 33 CO -0.02 0.12 -0.04 -0.31 0.41 0.00 0.00 173.24 173.40 1skr s TYR 34 N -1.47 1.77 0.80 2.43 1.51 0.25 -5.01 117.35 117.64 1skr s TYR 34 Ca 0.36 -1.21 -0.06 0.00 -1.01 0.00 0.00 57.07 55.15 1skr s TYR 34 Cb -0.14 -1.34 0.16 0.00 -0.11 0.00 0.00 41.96 40.53 1skr s TYR 34 CO 0.19 -0.65 1.11 1.03 -1.11 0.00 0.00 175.55 176.11 1skr s ARG 35 N 1.61 1.30 0.23 -0.62 0.52 -1.26 -1.23 118.95 119.50 1skr s ARG 35 Ca -0.01 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1skr s ARG 35 Cb -0.16 -2.17 0.40 0.00 0.52 0.00 0.00 34.95 33.53 1skr s ARG 35 CO -0.07 -1.79 1.26 -2.30 0.02 0.00 0.00 175.30 172.42 1skr n PRO 36 N -3.15 -0.07 -0.00 3.54 -0.02 -0.49 0.43 135.00 135.23 1skr n PRO 36 Ca 0.15 1.25 0.15 0.00 -2.02 0.00 0.00 63.50 63.04 1skr n PRO 36 Cb 0.60 -1.89 0.83 0.00 -0.02 0.00 0.00 33.50 33.03 1skr n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1skr n SER 37 N -5.30 0.30 -1.17 2.55 3.41 -1.26 -3.40 113.62 108.76 1skr n SER 37 Ca 0.14 -1.14 0.11 0.00 -0.26 0.00 0.00 58.87 57.72 1skr n SER 37 Cb 0.43 -0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.64 1skr n SER 37 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1skr n ASP 38 N -0.75 3.44 -0.23 4.04 8.00 0.17 -4.57 116.55 126.65 1skr n ASP 38 Ca 0.22 -1.98 0.04 0.00 0.71 0.00 0.00 54.79 53.78 1skr n ASP 38 Cb 0.15 -0.34 0.16 0.00 -0.02 0.00 0.00 41.12 41.08 1skr n ASP 38 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1skr h PHE 39 N 4.11 0.37 -0.49 1.24 3.57 -1.61 0.23 116.94 124.36 1skr h PHE 39 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1skr h PHE 39 Cb 0.92 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1skr h PHE 39 CO 0.34 0.01 0.29 0.78 -2.23 0.00 0.00 178.31 177.49 1skr h GLY 40 N 0.35 0.71 0.99 2.40 0.00 -1.90 -1.82 103.07 103.81 1skr h GLY 40 Ca 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1skr h GLY 40 CO -0.42 0.29 0.32 0.00 0.00 0.00 0.00 176.54 176.73 1skr h ALA 41 N 1.13 0.77 -0.39 3.60 0.00 -1.54 -1.54 119.26 121.30 1skr h ALA 41 Ca 0.17 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1skr h ALA 41 Cb 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 1skr h ALA 41 CO -0.03 0.31 0.02 -0.92 0.00 0.00 0.00 179.25 178.62 1skr h TYR 42 N 0.82 0.02 -0.47 0.00 3.20 -0.12 -1.36 116.97 119.06 1skr h TYR 42 Ca 0.21 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1skr h TYR 42 Cb 0.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 1skr h TYR 42 CO -0.01 -0.05 0.29 -0.07 -1.64 0.00 0.00 178.16 176.68 1skr h LEU 43 N 0.13 0.55 -0.92 2.82 3.38 -0.99 -2.66 115.31 117.62 1skr h LEU 43 Ca 0.19 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1skr h LEU 43 Cb 0.26 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1skr h LEU 43 CO -0.30 0.42 0.58 0.44 0.09 0.00 0.00 178.44 179.68 1skr h ASP 44 N 0.62 0.92 -0.76 -0.43 3.32 -0.56 -0.89 116.42 118.65 1skr h ASP 44 Ca 0.17 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1skr h ASP 44 Cb -0.04 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.30 1skr h ASP 44 CO -0.03 0.58 0.49 0.00 -1.72 0.00 0.00 179.24 178.56 1skr h ALA 45 N 1.43 0.96 -0.34 3.45 0.00 -0.94 0.99 119.26 124.80 1skr h ALA 45 Ca 0.40 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1skr h ALA 45 Cb 0.18 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1skr h ALA 45 CO -0.18 0.39 -0.03 -0.07 0.00 0.00 0.00 179.25 179.37 1skr h LEU 46 N 1.03 0.62 -1.28 0.00 3.38 -1.00 -2.64 115.31 115.42 1skr h LEU 46 Ca 0.28 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1skr h LEU 46 Cb -0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1skr h LEU 46 CO -0.06 0.80 -0.33 -0.33 0.09 0.00 0.00 178.44 178.61 1skr h GLU 47 N 0.43 0.05 -0.22 1.13 5.08 -0.85 -2.51 114.58 117.68 1skr h GLU 47 Ca 0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1skr h GLU 47 Cb 0.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1skr h GLU 47 CO 0.02 0.38 0.11 0.00 -1.00 0.00 0.00 179.01 178.52 1skr h ALA 48 N 1.62 0.29 -0.83 3.43 0.00 -0.58 0.30 119.26 123.49 1skr h ALA 48 Ca 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1skr h ALA 48 Cb 0.61 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1skr h ALA 48 CO 0.04 -0.16 0.54 1.49 0.00 0.00 0.00 179.25 181.17 1skr h GLU 49 N 0.23 0.93 -0.69 0.00 4.57 -1.24 0.05 114.58 118.44 1skr h GLU 49 Ca 0.08 -0.06 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 1skr h GLU 49 Cb 0.11 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1skr h GLU 49 CO -0.01 0.61 0.20 0.28 -1.18 0.00 0.00 179.01 178.91 1skr h VAL 50 N 0.95 1.26 0.00 0.32 2.07 -0.93 -0.94 116.25 118.99 1skr h VAL 50 Ca 0.35 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 1skr h VAL 50 Cb 0.16 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1skr h VAL 50 CO -0.12 0.35 -0.03 0.00 0.02 0.00 0.00 177.57 177.79 1skr h ALA 51 N 1.09 1.57 -0.00 1.67 0.00 0.10 -1.27 119.26 122.42 1skr h ALA 51 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1skr h ALA 51 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1skr h ALA 51 CO -0.00 0.03 -0.17 0.54 0.00 0.00 0.00 179.25 179.65 1skr n ARG 52 N -3.95 0.71 -1.53 0.00 1.74 -0.89 -4.88 116.66 107.87 1skr n ARG 52 Ca -0.03 -0.32 -0.00 0.00 -0.77 0.00 0.00 57.85 56.73 1skr n ARG 52 Cb 0.11 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1skr n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1skr n GLY 53 N 1.31 0.38 0.00 -0.13 0.00 -0.48 -4.99 105.19 101.28 1skr n GLY 53 Ca 0.13 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1skr n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1skr n GLY 54 N -1.95 -0.13 2.99 -0.02 0.00 -0.39 -1.18 105.19 104.51 1skr n GLY 54 Ca -0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 1skr n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1skr s LEU 55 N 0.00 1.89 -0.17 0.99 1.43 -1.26 -4.11 118.68 117.45 1skr s LEU 55 Ca 0.00 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1skr s LEU 55 Cb 0.00 0.27 0.02 0.00 0.03 0.00 0.00 46.19 46.51 1skr s LEU 55 CO 0.00 -0.20 -0.17 -0.63 0.23 0.00 0.00 176.35 175.59 1skr s ILE 56 N -0.81 1.84 -0.22 -0.59 1.01 0.17 -0.99 121.20 121.61 1skr s ILE 56 Ca -0.09 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.60 1skr s ILE 56 Cb -0.05 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1skr s ILE 56 CO 0.00 0.46 0.16 -0.69 0.00 0.00 0.00 174.94 174.87 1skr s VAL 57 N 1.37 5.37 0.20 2.92 1.01 0.69 -1.23 120.40 130.72 1skr s VAL 57 Ca 0.04 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1skr s VAL 57 Cb -0.13 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1skr s VAL 57 CO -0.11 0.37 -0.15 -0.36 0.00 0.00 0.00 175.10 174.85 1skr s PHE 58 N 0.85 1.71 -0.37 5.22 0.08 -0.44 -0.62 117.98 124.40 1skr s PHE 58 Ca 0.08 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.50 1skr s PHE 58 Cb -0.13 -0.80 0.06 0.00 -0.57 0.00 0.00 43.02 41.57 1skr s PHE 58 CO 0.03 0.35 0.17 -1.58 -0.10 0.00 0.00 175.22 174.09 1skr s HIS 59 N -2.81 3.31 -0.73 0.36 5.65 -1.26 -1.02 115.29 118.78 1skr s HIS 59 Ca 0.21 -1.49 0.00 0.00 0.25 0.00 0.00 55.06 54.03 1skr s HIS 59 Cb -0.02 -2.59 0.00 0.00 -1.18 0.00 0.00 32.58 28.79 1skr s HIS 59 CO 0.07 -0.78 0.00 -1.71 -0.65 0.00 0.00 174.74 171.67 1skr n ASN 60 N 4.85 -3.35 0.16 9.88 5.15 -1.26 -4.88 115.26 125.81 1skr n ASN 60 Ca -0.11 0.09 0.01 0.00 -0.60 0.00 0.00 54.58 53.97 1skr n ASN 60 Cb 0.44 -2.10 0.24 0.00 -0.53 0.00 0.00 39.78 37.83 1skr n ASN 60 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1skr h GLY 61 N 0.00 0.00 0.87 8.20 0.00 -1.89 -1.84 103.07 108.42 1skr h GLY 61 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1skr h GLY 61 CO 0.22 0.00 0.62 0.45 0.00 0.00 0.00 176.54 177.83 1skr h HIS 62 N 0.00 1.14 0.01 5.60 3.86 -1.91 -1.15 115.15 122.70 1skr h HIS 62 Ca -0.01 0.03 -0.33 0.00 -1.16 0.00 0.00 60.37 58.90 1skr h HIS 62 Cb 0.95 -0.38 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 1skr h HIS 62 CO 0.00 0.63 -2.01 1.63 0.86 0.00 0.00 177.93 179.04 1skr n LYS 63 N -4.47 0.67 0.00 2.45 5.02 -1.19 -4.63 118.16 116.01 1skr n LYS 63 Ca 0.14 0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1skr n LYS 63 Cb 0.14 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1skr n LYS 63 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1skr n TYR 64 N -3.01 0.00 -0.17 2.13 9.36 -0.70 -4.72 117.16 120.05 1skr n TYR 64 Ca -0.26 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 60.91 1skr n TYR 64 Cb 1.08 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.80 1skr n TYR 64 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1skr h ASP 65 N 0.00 -1.04 0.59 2.98 5.19 -1.65 0.75 116.42 123.23 1skr h ASP 65 Ca 0.00 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.59 1skr h ASP 65 Cb 0.00 0.52 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1skr h ASP 65 CO 0.00 -0.30 -0.29 0.58 -3.12 0.00 0.00 179.24 176.12 1skr h VAL 66 N -0.18 0.42 0.00 -1.35 2.07 -1.52 0.15 116.25 115.85 1skr h VAL 66 Ca 0.22 -0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.67 1skr h VAL 66 Cb 0.53 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1skr h VAL 66 CO -0.61 0.00 -0.29 1.55 0.02 0.00 0.00 177.57 178.24 1skr h PRO 67 N -0.80 0.00 -0.37 1.57 0.13 -1.73 -2.33 132.00 128.47 1skr h PRO 67 Ca -0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.89 1skr h PRO 67 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1skr h PRO 67 CO 0.13 0.29 -0.39 0.00 -0.23 0.00 0.00 178.00 177.80 1skr h ALA 68 N 1.71 0.55 -0.61 -0.56 0.00 -0.59 -2.15 119.26 117.62 1skr h ALA 68 Ca -0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1skr h ALA 68 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1skr h ALA 68 CO 0.04 0.66 0.10 -0.07 0.00 0.00 0.00 179.25 179.98 1skr h LEU 69 N 0.74 0.94 -0.63 0.00 3.38 -0.39 0.14 115.31 119.50 1skr h LEU 69 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1skr h LEU 69 Cb 0.99 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1skr h LEU 69 CO 0.10 0.94 0.32 0.74 0.09 0.00 0.00 178.44 180.62 1skr h THR 70 N 0.93 1.21 -0.02 0.22 2.02 -1.31 0.13 112.91 116.09 1skr h THR 70 Ca 0.19 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1skr h THR 70 Cb 0.40 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1skr h THR 70 CO 0.01 0.24 -0.01 0.50 0.37 0.00 0.00 175.52 176.63 1skr h LYS 71 N 0.86 0.04 0.00 6.66 3.64 -0.94 -3.03 116.57 123.79 1skr h LYS 71 Ca 0.22 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1skr h LYS 71 Cb 0.08 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1skr h LYS 71 CO -0.03 0.43 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.20 1skr h LEU 72 N -0.34 0.00 -0.81 5.20 3.38 -0.68 -2.00 115.31 120.06 1skr h LEU 72 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 1skr h LEU 72 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1skr h LEU 72 CO 0.00 0.31 -0.25 0.00 0.09 0.00 0.00 178.44 178.59 1skr h ALA 73 N 1.69 0.98 -0.01 1.53 0.00 -0.95 -0.28 119.26 122.23 1skr h ALA 73 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1skr h ALA 73 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1skr h ALA 73 CO 0.04 0.60 -0.02 -0.22 0.00 0.00 0.00 179.25 179.65 1skr h LYS 74 N 0.54 0.02 0.16 0.00 1.63 -1.33 0.21 116.57 117.81 1skr h LYS 74 Ca 0.07 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.85 1skr h LYS 74 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1skr h LYS 74 CO 0.06 0.67 -0.08 -0.07 -3.45 0.00 0.00 179.45 176.58 1skr h LEU 75 N -0.62 -0.18 0.26 5.20 3.38 -1.33 -0.31 115.31 121.70 1skr h LEU 75 Ca -0.00 -0.14 -0.34 0.00 0.09 0.00 0.00 57.88 57.49 1skr h LEU 75 Cb 0.68 0.05 0.04 0.00 0.09 0.00 0.00 40.66 41.51 1skr h LEU 75 CO 0.00 0.03 -1.48 1.56 0.09 0.00 0.00 178.44 178.65 1skr h GLN 76 N -0.40 0.54 -0.00 1.13 4.20 -1.20 -3.39 115.11 115.99 1skr h GLN 76 Ca -0.02 -0.93 0.00 0.00 0.06 0.00 0.00 58.65 57.76 1skr h GLN 76 Cb 0.31 0.34 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1skr h GLN 76 CO 0.04 1.44 -0.01 1.28 -0.67 0.00 0.00 178.83 180.91 1skr n LEU 77 N -3.73 1.20 -3.81 1.46 4.77 -0.97 -4.99 117.00 110.94 1skr n LEU 77 Ca -0.17 -0.97 -0.27 0.00 -0.03 0.00 0.00 56.01 54.57 1skr n LEU 77 Cb 1.10 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.23 1skr n LEU 77 CO 0.61 0.27 0.07 -3.20 -1.33 0.00 0.00 177.39 173.80 1skr n ASN 78 N 0.11 -3.77 -4.63 -1.43 5.15 -0.13 -4.95 115.26 105.62 1skr n ASN 78 Ca 0.02 -0.77 -0.30 0.00 -0.60 0.00 0.00 54.58 52.94 1skr n ASN 78 Cb 0.08 -4.08 -0.09 0.00 -0.53 0.00 0.00 39.78 35.16 1skr n ASN 78 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1skr s ARG 79 N -6.37 2.31 -0.36 1.20 3.52 0.59 -4.91 118.95 114.93 1skr s ARG 79 Ca 0.44 -0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 54.91 1skr s ARG 79 Cb -0.22 -2.40 -0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1skr s ARG 79 CO 0.81 0.52 0.47 -1.21 -0.81 0.00 0.00 175.30 175.08 1skr s GLU 80 N -2.29 3.50 -0.11 5.12 0.41 -1.26 -2.84 118.70 121.23 1skr s GLU 80 Ca 0.24 -0.34 0.00 0.00 -0.41 0.00 0.00 54.97 54.46 1skr s GLU 80 Cb -0.11 -3.84 0.02 0.00 -1.78 0.00 0.00 34.13 28.42 1skr s GLU 80 CO 0.16 -0.66 -0.10 0.12 -0.49 0.00 0.00 175.26 174.28 1skr s PHE 81 N 2.27 1.64 -0.35 1.61 5.36 -1.26 -5.08 117.98 122.17 1skr s PHE 81 Ca 0.16 -0.80 0.02 0.00 -0.96 0.00 0.00 56.93 55.35 1skr s PHE 81 Cb -0.16 -1.28 0.15 0.00 -0.34 0.00 0.00 43.02 41.39 1skr s PHE 81 CO 0.13 -0.50 0.37 -1.01 -1.46 0.00 0.00 175.22 172.75 1skr s HIS 82 N 1.41 -0.38 0.19 10.12 3.76 -1.26 -4.28 115.29 124.86 1skr s HIS 82 Ca 0.00 -0.63 -0.31 0.00 -0.15 0.00 0.00 55.06 53.98 1skr s HIS 82 Cb -0.13 -0.39 -0.09 0.00 1.11 0.00 0.00 32.58 33.07 1skr s HIS 82 CO -0.06 -0.96 1.44 -0.51 -0.85 0.00 0.00 174.74 173.79 1skr s LEU 83 N 1.67 4.38 0.35 0.89 1.43 -1.26 -4.96 118.68 121.18 1skr s LEU 83 Ca 0.15 2.54 -0.27 0.00 -1.03 0.00 0.00 54.13 55.52 1skr s LEU 83 Cb -0.15 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.37 1skr s LEU 83 CO -0.10 -0.69 1.18 -2.84 0.23 0.00 0.00 176.35 174.12 1skr s PRO 84 N 0.34 4.29 0.27 1.29 0.02 -1.26 -4.92 135.00 135.04 1skr s PRO 84 Ca 0.63 1.90 0.01 0.00 0.02 0.00 0.00 61.00 63.56 1skr s PRO 84 Cb -0.40 -2.91 0.55 0.00 0.02 0.00 0.00 34.50 31.76 1skr s PRO 84 CO 0.37 -0.13 1.80 -0.09 -0.33 0.00 0.00 177.00 178.62 1skr h ARG 85 N 3.14 0.82 0.00 5.54 2.43 -1.96 -1.38 114.38 122.97 1skr h ARG 85 Ca -0.48 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 1skr h ARG 85 Cb 1.23 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1skr h ARG 85 CO 0.64 0.54 0.00 -0.85 -1.51 0.00 0.00 179.97 178.79 1skr n GLU 86 N -4.72 0.13 0.00 0.20 0.00 -1.26 -2.20 120.64 112.79 1skr n GLU 86 Ca 0.18 0.46 0.12 0.00 0.00 0.00 0.00 57.16 57.93 1skr n GLU 86 Cb 0.40 -1.79 0.13 0.00 0.00 0.00 0.00 31.44 30.17 1skr n GLU 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1skr n ASN 87 N -2.04 2.44 -4.62 -1.84 4.13 -0.52 -4.84 115.26 107.98 1skr n ASN 87 Ca 0.01 -1.74 -0.34 0.00 1.68 0.00 0.00 54.58 54.19 1skr n ASN 87 Cb 0.14 0.15 -0.11 0.00 -1.54 0.00 0.00 39.78 38.42 1skr n ASN 87 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1skr s ILE 89 N -0.86 2.03 -0.19 0.00 1.01 -0.36 -4.94 121.20 117.88 1skr s ILE 89 Ca 0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1skr s ILE 89 Cb -0.11 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.65 1skr s ILE 89 CO 0.03 0.25 -0.02 -0.62 0.00 0.00 0.00 174.94 174.58 1skr s ASP 90 N -1.42 3.13 0.53 3.58 -1.08 -1.25 -1.33 116.67 118.83 1skr s ASP 90 Ca 0.11 -0.86 0.23 0.00 -0.52 0.00 0.00 52.55 51.50 1skr s ASP 90 Cb -0.10 -0.85 1.43 0.00 -1.46 0.00 0.00 42.92 41.94 1skr s ASP 90 CO 0.03 -0.25 2.13 0.71 0.52 0.00 0.00 175.17 178.31 1skr h THR 91 N 6.52 0.78 -0.20 1.71 1.35 -1.44 -0.82 112.91 120.81 1skr h THR 91 Ca -0.19 -0.26 -0.07 0.00 -0.55 0.00 0.00 66.41 65.35 1skr h THR 91 Cb 1.10 1.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1skr h THR 91 CO 0.37 0.07 -0.14 0.25 -0.25 0.00 0.00 175.52 175.82 1skr h LEU 92 N 0.00 0.47 -0.59 3.87 5.85 -1.90 0.00 115.31 123.01 1skr h LEU 92 Ca -0.00 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1skr h LEU 92 Cb 0.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1skr h LEU 92 CO 0.01 0.81 0.38 0.58 -0.34 0.00 0.00 178.44 179.87 1skr h VAL 93 N 0.13 1.16 -0.49 1.05 2.07 -1.79 -1.51 116.25 116.87 1skr h VAL 93 Ca 0.04 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1skr h VAL 93 Cb 0.65 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1skr h VAL 93 CO 0.04 0.16 0.16 -0.07 0.02 0.00 0.00 177.57 177.87 1skr h LEU 94 N 0.80 0.71 -1.08 2.57 3.38 -1.05 -2.57 115.31 118.07 1skr h LEU 94 Ca 0.21 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1skr h LEU 94 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1skr h LEU 94 CO -0.04 0.73 -0.45 0.77 0.09 0.00 0.00 178.44 179.54 1skr h SER 95 N 0.66 0.00 1.17 -0.43 4.64 -0.76 0.38 113.55 119.21 1skr h SER 95 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1skr h SER 95 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1skr h SER 95 CO -0.01 0.45 0.00 0.03 -0.87 0.00 0.00 176.83 176.43 1skr h ARG 96 N 0.00 0.00 0.00 4.77 3.08 -1.08 0.90 114.38 122.05 1skr h ARG 96 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 1skr h ARG 96 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1skr h ARG 96 CO 0.06 0.00 -1.17 1.25 -1.07 0.00 0.00 179.97 179.04 1skr h LEU 97 N 0.00 0.00 0.19 3.04 5.85 -0.95 -3.24 115.31 120.20 1skr h LEU 97 Ca 0.00 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1skr h LEU 97 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1skr h LEU 97 CO 0.00 1.45 -0.09 0.40 -0.34 0.00 0.00 178.44 179.86 1skr h ILE 98 N -1.00 0.88 -1.95 4.05 1.08 -0.91 -3.24 117.51 116.41 1skr h ILE 98 Ca -0.32 -0.37 -0.75 0.00 -0.39 0.00 0.00 64.86 63.03 1skr h ILE 98 Cb 1.27 1.10 -0.29 0.00 -3.07 0.00 0.00 36.82 35.83 1skr h ILE 98 CO -0.19 0.08 0.79 1.41 -0.69 0.00 0.00 178.15 179.55 1skr n HIS 99 N -5.12 3.04 0.21 1.37 8.25 0.30 -4.75 115.22 118.52 1skr n HIS 99 Ca -0.09 -2.47 0.08 0.00 -0.26 0.00 0.00 57.72 54.97 1skr n HIS 99 Cb 0.19 -1.03 0.37 0.00 1.12 0.00 0.00 29.99 30.64 1skr n HIS 99 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1skr n SER 100 N -0.49 0.35 -0.03 0.41 3.41 -1.22 -1.34 113.62 114.70 1skr n SER 100 Ca 0.51 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.89 1skr n SER 100 Cb 0.29 -0.69 0.49 0.00 -0.26 0.00 0.00 64.21 64.05 1skr n SER 100 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1skr n ASN 101 N -1.94 0.28 -4.79 4.04 6.94 -1.26 -4.14 115.26 114.40 1skr n ASN 101 Ca 0.00 -0.02 -0.23 0.00 -0.02 0.00 0.00 54.58 54.32 1skr n ASN 101 Cb 0.08 -0.14 -0.05 0.00 -2.36 0.00 0.00 39.78 37.31 1skr n ASN 101 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1skr s LEU 102 N -2.87 3.70 0.52 -4.53 1.43 -0.45 -5.03 118.68 111.46 1skr s LEU 102 Ca 0.17 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 1skr s LEU 102 Cb 0.19 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.19 1skr s LEU 102 CO 0.57 -0.01 0.72 -0.54 0.23 0.00 0.00 176.35 177.33 1skr s LYS 103 N -3.63 2.56 0.14 1.70 -0.14 -1.26 -5.05 119.74 114.05 1skr s LYS 103 Ca 0.32 -1.04 -0.15 0.00 -1.36 0.00 0.00 55.97 53.74 1skr s LYS 103 Cb -0.08 -2.58 0.02 0.00 -1.68 0.00 0.00 37.83 33.51 1skr s LYS 103 CO 0.24 -0.63 0.39 0.16 -0.76 0.00 0.00 175.35 174.75 1skr s ASP 104 N -4.44 -0.17 -0.00 2.83 1.47 -1.26 -4.68 116.67 110.41 1skr s ASP 104 Ca 0.58 -0.45 0.01 0.00 1.18 0.00 0.00 52.55 53.86 1skr s ASP 104 Cb -0.09 0.48 0.02 0.00 -0.34 0.00 0.00 42.92 42.98 1skr s ASP 104 CO 0.37 -0.89 0.97 0.35 0.68 0.00 0.00 175.17 176.65 1skr n THR 105 N -0.23 0.03 -3.87 2.11 -2.24 -1.26 -4.88 114.28 103.94 1skr n THR 105 Ca -0.14 -0.03 -0.28 0.00 -2.27 0.00 0.00 64.05 61.34 1skr n THR 105 Cb 0.63 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1skr n THR 105 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1skr n ASP 106 N -0.40 -2.01 -3.55 3.42 2.03 -1.26 -0.78 116.55 114.00 1skr n ASP 106 Ca 0.01 -1.02 -0.21 0.00 0.52 0.00 0.00 54.79 54.09 1skr n ASP 106 Cb 0.04 -3.13 0.08 0.00 -0.72 0.00 0.00 41.12 37.39 1skr n ASP 106 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1skr n MET 107 N -4.36 -7.10 -0.99 -0.67 2.81 -1.26 -2.67 117.12 102.88 1skr n MET 107 Ca -0.24 0.82 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1skr n MET 107 Cb 0.65 -5.82 0.00 0.00 -0.71 0.00 0.00 33.22 27.34 1skr n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1skr n GLY 108 N -1.58 0.41 0.23 3.03 0.00 -0.50 -4.87 105.19 101.90 1skr n GLY 108 Ca -0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1skr n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1skr h LEU 109 N 0.00 0.00 -9.06 0.99 3.38 -0.73 -3.44 115.31 106.45 1skr h LEU 109 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1skr h LEU 109 Cb 0.22 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.77 1skr h LEU 109 CO 0.00 0.00 -0.78 -0.76 0.09 0.00 0.00 178.44 176.99 1skr s LEU 110 N -6.17 2.77 -0.23 1.67 1.43 -0.56 -5.04 118.68 112.56 1skr s LEU 110 Ca 0.06 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1skr s LEU 110 Cb 0.06 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 1skr s LEU 110 CO 0.65 0.24 1.41 -0.13 0.23 0.00 0.00 176.35 178.75 1skr s ARG 111 N -1.66 3.97 0.25 1.70 3.00 -1.26 -4.77 118.95 120.18 1skr s ARG 111 Ca 0.16 1.54 -0.05 0.00 0.00 0.00 0.00 55.73 57.39 1skr s ARG 111 Cb -0.11 -3.91 0.35 0.00 0.00 0.00 0.00 34.95 31.29 1skr s ARG 111 CO 0.08 -1.06 1.86 0.66 0.00 0.00 0.00 175.30 176.84 1skr h SER 112 N 9.49 0.88 0.16 0.23 4.64 -1.95 -1.56 113.55 125.44 1skr h SER 112 Ca -0.29 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1skr h SER 112 Cb 1.12 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1skr h SER 112 CO 1.00 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 178.14 1skr n GLY 113 N -1.34 -0.61 0.07 -0.77 0.00 -1.26 -1.87 105.19 99.41 1skr n GLY 113 Ca 0.13 -0.02 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1skr n GLY 113 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1skr n LYS 114 N -1.42 0.65 -2.50 1.61 4.81 -0.59 -4.96 118.16 115.76 1skr n LYS 114 Ca 0.02 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.08 1skr n LYS 114 Cb 0.06 -1.65 -0.04 0.00 0.02 0.00 0.00 35.03 33.42 1skr n LYS 114 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1skr s LEU 115 N -5.18 4.33 0.49 3.14 1.43 -0.78 -5.05 118.68 117.05 1skr s LEU 115 Ca -0.06 2.16 -0.05 0.00 -1.03 0.00 0.00 54.13 55.15 1skr s LEU 115 Cb 0.10 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 1skr s LEU 115 CO 0.85 -0.34 0.79 -2.16 0.23 0.00 0.00 176.35 175.72 1skr s PRO 116 N -2.00 3.51 0.83 1.29 0.04 -1.26 -4.96 135.00 132.45 1skr s PRO 116 Ca 0.52 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1skr s PRO 116 Cb -0.27 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1skr s PRO 116 CO 0.34 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.56 1skr n GLY 117 N -2.28 -1.92 3.96 0.56 0.00 -1.26 -4.64 105.19 99.61 1skr n GLY 117 Ca 0.01 -1.35 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 1skr n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr s ALA 124 N -1.32 3.76 -0.00 4.61 0.00 -1.26 -5.01 121.76 122.54 1skr s ALA 124 Ca 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 51.96 50.89 1skr s ALA 124 Cb 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.94 1skr s ALA 124 CO 0.00 -0.56 -0.18 -0.51 0.00 0.00 0.00 175.76 174.52 1skr s LEU 125 N -4.67 2.06 0.15 0.00 1.43 -1.26 -4.24 118.68 112.14 1skr s LEU 125 Ca 0.52 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 1skr s LEU 125 Cb -0.10 -0.88 -0.10 0.00 0.03 0.00 0.00 46.19 45.14 1skr s LEU 125 CO 0.39 0.19 1.62 -0.70 0.23 0.00 0.00 176.35 178.08 1skr s GLU 126 N -0.56 4.20 0.11 1.70 -6.30 -1.26 -4.90 118.70 111.69 1skr s GLU 126 Ca 0.06 2.39 -0.30 0.00 -2.50 0.00 0.00 54.97 54.62 1skr s GLU 126 Cb -0.07 -3.27 -0.09 0.00 0.00 0.00 0.00 34.13 30.70 1skr s GLU 126 CO -0.00 -0.66 1.60 0.00 0.02 0.00 0.00 175.26 176.21 1skr h ALA 127 N 7.24 -0.67 -0.46 6.30 0.00 -1.99 0.29 119.26 129.96 1skr h ALA 127 Ca -0.43 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1skr h ALA 127 Cb 1.20 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 19.59 1skr h ALA 127 CO 0.92 -0.94 0.23 -1.49 0.00 0.00 0.00 179.25 177.98 1skr h TRP 128 N -0.62 0.43 -0.09 0.00 -0.00 -1.95 -0.83 115.95 112.90 1skr h TRP 128 Ca 0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.86 1skr h TRP 128 Cb 0.65 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.67 1skr h TRP 128 CO -0.34 0.22 -0.29 0.78 -0.00 0.00 0.00 178.44 178.81 1skr h GLY 129 N 0.47 0.18 0.84 1.49 0.00 -1.93 -1.78 103.07 102.34 1skr h GLY 129 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1skr h GLY 129 CO -0.14 0.13 0.03 -1.82 0.00 0.00 0.00 176.54 174.74 1skr h TYR 130 N 0.15 0.39 -0.01 5.60 3.20 -0.07 -1.29 116.97 124.93 1skr h TYR 130 Ca 0.02 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1skr h TYR 130 Cb 0.60 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1skr h TYR 130 CO 0.01 0.51 -0.25 0.00 -1.64 0.00 0.00 178.16 176.78 1skr h ARG 131 N 0.16 -0.37 -0.39 1.82 2.47 -0.84 -2.17 114.38 115.06 1skr h ARG 131 Ca 0.07 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.87 1skr h ARG 131 Cb 0.33 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 1skr h ARG 131 CO 0.01 -0.25 0.07 -0.07 0.56 0.00 0.00 179.97 180.29 1skr h LEU 132 N -0.38 -0.01 -1.89 3.04 3.38 -1.23 -1.66 115.31 116.55 1skr h LEU 132 Ca 0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1skr h LEU 132 Cb 0.47 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1skr h LEU 132 CO -0.23 0.03 -0.02 1.23 0.09 0.00 0.00 178.44 179.54 1skr h GLY 133 N 0.19 0.00 0.11 0.83 0.00 -0.99 -2.86 103.07 100.36 1skr h GLY 133 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1skr h GLY 133 CO -0.26 0.00 -0.81 1.18 0.00 0.00 0.00 176.54 176.66 1skr n GLU 134 N -3.15 0.17 -0.22 4.80 -0.58 -0.82 -3.01 120.64 117.83 1skr n GLU 134 Ca -0.01 -0.13 0.01 0.00 -0.42 0.00 0.00 57.16 56.61 1skr n GLU 134 Cb 0.24 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.71 1skr n GLU 134 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1skr h MET 135 N 0.32 0.05 -0.93 3.49 2.86 -1.08 -1.11 114.93 118.54 1skr h MET 135 Ca 0.00 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1skr h MET 135 Cb 0.53 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 1skr h MET 135 CO 0.00 0.03 0.60 0.87 1.06 0.00 0.00 176.91 179.47 1skr h LYS 136 N 0.05 1.23 -0.14 1.72 1.57 -1.81 0.19 116.57 119.38 1skr h LYS 136 Ca 0.34 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1skr h LYS 136 Cb 0.54 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1skr h LYS 136 CO -0.62 0.83 -0.51 0.78 -0.57 0.00 0.00 179.45 179.36 1skr h GLY 137 N 1.26 0.41 0.79 3.86 0.00 -1.61 -0.70 103.07 107.09 1skr h GLY 137 Ca 0.34 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1skr h GLY 137 CO -0.07 0.41 -0.21 0.83 0.00 0.00 0.00 176.54 177.50 1skr h GLU 138 N 0.30 0.43 -0.29 4.80 5.08 -0.74 -2.42 114.58 121.74 1skr h GLU 138 Ca 0.01 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1skr h GLU 138 Cb 1.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1skr h GLU 138 CO 0.09 0.82 0.12 -0.92 -1.00 0.00 0.00 179.01 178.11 1skr h TYR 139 N 0.07 0.21 -0.95 4.33 3.20 -0.89 -1.46 116.97 121.48 1skr h TYR 139 Ca 0.02 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1skr h TYR 139 Cb 0.76 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.91 1skr h TYR 139 CO 0.09 0.10 0.61 -0.22 -1.64 0.00 0.00 178.16 177.10 1skr h LYS 140 N 0.25 0.89 -0.21 1.82 3.64 -1.08 -0.86 116.57 121.03 1skr h LYS 140 Ca 0.13 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1skr h LYS 140 Cb 0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1skr h LYS 140 CO -0.12 0.59 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.14 1skr h ASP 141 N 0.92 0.43 -1.01 4.20 3.32 -0.80 -1.68 116.42 121.81 1skr h ASP 141 Ca 0.46 -0.39 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1skr h ASP 141 Cb 0.49 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 1skr h ASP 141 CO -0.22 0.72 0.66 0.44 -1.72 0.00 0.00 179.24 179.12 1skr h ASP 142 N 0.14 1.10 0.40 6.45 5.19 -0.65 0.02 116.42 129.07 1skr h ASP 142 Ca 0.05 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 1skr h ASP 142 Cb 0.54 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1skr h ASP 142 CO 0.03 0.76 -0.19 0.15 -3.12 0.00 0.00 179.24 176.86 1skr h PHE 143 N 1.28 -0.50 -0.64 4.55 3.57 -1.06 -1.48 116.94 122.65 1skr h PHE 143 Ca 0.40 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.92 1skr h PHE 143 Cb -0.01 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 1skr h PHE 143 CO -0.00 -0.25 0.40 0.87 -2.23 0.00 0.00 178.31 177.10 1skr h LYS 144 N -0.64 0.75 0.46 1.11 1.57 -1.04 -1.44 116.57 117.35 1skr h LYS 144 Ca -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1skr h LYS 144 Cb 0.47 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1skr h LYS 144 CO 0.09 0.50 -0.45 -0.09 -0.57 0.00 0.00 179.45 178.93 1skr h ARG 145 N 0.78 -0.88 -0.47 3.15 2.43 -0.92 -0.84 114.38 117.62 1skr h ARG 145 Ca 0.26 0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.61 1skr h ARG 145 Cb 0.03 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1skr h ARG 145 CO -0.11 -0.59 0.33 0.52 -1.51 0.00 0.00 179.97 178.61 1skr h MET 146 N -0.92 0.09 0.01 0.20 2.86 -1.05 -1.46 114.93 114.67 1skr h MET 146 Ca -0.05 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1skr h MET 146 Cb 0.80 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1skr h MET 146 CO -0.06 0.06 -0.01 -0.07 1.06 0.00 0.00 176.91 177.90 1skr h LEU 147 N 0.09 -0.01 -2.21 1.22 3.38 -0.64 -3.03 115.31 114.11 1skr h LEU 147 Ca 0.22 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1skr h LEU 147 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1skr h LEU 147 CO -0.02 0.54 0.09 -0.33 0.09 0.00 0.00 178.44 178.81 1skr h GLU 148 N -0.58 0.00 0.00 1.13 3.07 -0.39 0.19 114.58 118.00 1skr h GLU 148 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1skr h GLU 148 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1skr h GLU 148 CO 0.00 0.00 0.00 0.93 -1.40 0.00 0.00 179.01 178.54 1skr h GLU 149 N 0.00 0.00 -0.24 2.33 5.08 -1.23 -3.11 114.58 117.42 1skr h GLU 149 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1skr h GLU 149 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1skr h GLU 149 CO -0.00 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.05 1skr n GLN 150 N -2.62 2.76 -0.72 2.33 1.13 0.58 -5.00 117.38 115.82 1skr n GLN 150 Ca 0.03 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.25 1skr n GLN 150 Cb 0.37 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.53 1skr n GLN 150 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1skr n GLY 151 N 0.24 1.34 3.85 1.08 0.00 -0.69 -5.04 105.19 105.97 1skr n GLY 151 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1skr n GLY 151 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1skr s GLU 152 N -0.08 3.96 0.26 1.61 8.01 -1.03 -4.98 118.70 126.44 1skr s GLU 152 Ca 0.00 0.69 -0.15 0.00 0.01 0.00 0.00 54.97 55.52 1skr s GLU 152 Cb 0.00 -2.36 -0.08 0.00 -4.31 0.00 0.00 34.13 27.38 1skr s GLU 152 CO 0.00 0.04 0.67 -1.21 0.01 0.00 0.00 175.26 174.77 1skr s GLU 153 N -3.35 4.02 -0.11 1.61 2.02 -1.26 -4.10 118.70 117.54 1skr s GLU 153 Ca 0.55 0.61 -0.14 0.00 0.02 0.00 0.00 54.97 56.01 1skr s GLU 153 Cb -0.10 -2.65 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 1skr s GLU 153 CO 0.22 0.29 0.33 -0.47 0.02 0.00 0.00 175.26 175.64 1skr s TYR 154 N -1.77 3.56 0.09 1.61 5.04 -1.26 -5.05 117.35 119.57 1skr s TYR 154 Ca 0.48 0.73 0.07 0.00 -2.44 0.00 0.00 57.07 55.91 1skr s TYR 154 Cb -0.13 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 1skr s TYR 154 CO 0.19 0.41 -0.11 0.08 -1.34 0.00 0.00 175.55 174.78 1skr s VAL 155 N -0.14 3.28 0.00 3.14 1.01 -1.26 -5.04 120.40 121.39 1skr s VAL 155 Ca 0.19 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.94 1skr s VAL 155 Cb -0.14 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.74 1skr s VAL 155 CO 0.07 0.17 0.00 0.47 0.00 0.00 0.00 175.10 175.81 1skr n ASP 156 N 0.90 0.00 -3.14 3.32 8.00 -1.26 -2.15 116.55 122.22 1skr n ASP 156 Ca -0.14 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.19 1skr n ASP 156 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 1skr n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1skr n GLY 157 N 0.00 3.29 0.17 0.44 0.00 -1.26 -4.93 105.19 102.90 1skr n GLY 157 Ca 0.00 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.64 1skr n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr h MET 158 N 3.01 0.00 -0.00 1.61 -0.00 -1.86 -2.99 114.93 114.71 1skr h MET 158 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.78 1skr h MET 158 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.58 1skr h MET 158 CO 0.46 0.00 0.10 1.05 -0.00 0.00 0.00 176.91 178.52 1skr h GLU 159 N 0.00 0.00 -0.02 -0.10 9.09 -1.92 -1.29 114.58 120.34 1skr h GLU 159 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1skr h GLU 159 Cb 0.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1skr h GLU 159 CO 0.00 0.00 -0.34 0.91 0.05 0.00 0.00 179.01 179.63 1skr n TRP 160 N -3.05 0.00 -0.12 2.06 7.02 -1.13 -4.52 117.44 117.71 1skr n TRP 160 Ca -0.03 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.34 1skr n TRP 160 Cb 0.16 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.06 1skr n TRP 160 CO 0.00 0.00 0.00 -1.49 -2.02 0.00 0.00 177.69 174.18 1skr h TRP 161 N 2.88 1.08 -3.97 -5.99 6.55 -1.42 -3.37 115.95 111.70 1skr h TRP 161 Ca 0.00 -0.30 -0.39 0.00 0.95 0.00 0.00 58.89 59.14 1skr h TRP 161 Cb 0.78 -0.23 -0.22 0.00 -0.86 0.00 0.00 29.16 28.62 1skr h TRP 161 CO 0.00 1.11 -0.77 -0.80 -1.05 0.00 0.00 178.44 176.93 1skr s ASN 162 N -6.81 1.50 0.63 -3.49 0.01 -1.26 -4.96 114.94 100.56 1skr s ASN 162 Ca -0.11 -0.56 -0.16 0.00 -0.71 0.00 0.00 52.86 51.32 1skr s ASN 162 Cb 0.12 -0.05 -0.01 0.00 0.41 0.00 0.00 41.25 41.71 1skr s ASN 162 CO 0.87 -0.07 1.13 0.12 -1.51 0.00 0.00 177.10 177.65 1skr s PHE 163 N -1.17 2.55 0.05 2.20 5.36 -1.26 -5.01 117.98 120.70 1skr s PHE 163 Ca -0.02 1.55 -0.27 0.00 -0.96 0.00 0.00 56.93 57.23 1skr s PHE 163 Cb -0.09 -3.26 0.09 0.00 -0.34 0.00 0.00 43.02 39.41 1skr s PHE 163 CO 0.02 -1.81 0.82 0.54 -1.46 0.00 0.00 175.22 173.33 1skr s ASN 164 N -2.22 -0.40 0.53 6.13 2.20 -1.26 -5.05 114.94 114.87 1skr s ASN 164 Ca 0.70 -0.04 0.35 0.00 -0.94 0.00 0.00 52.86 52.93 1skr s ASN 164 Cb -0.23 0.45 1.69 0.00 -2.00 0.00 0.00 41.25 41.16 1skr s ASN 164 CO 0.37 -0.74 2.05 -0.33 -2.94 0.00 0.00 177.10 175.51 1skr h GLU 165 N 2.00 0.00 -0.10 3.55 4.39 -1.99 -1.91 114.58 120.53 1skr h GLU 165 Ca -0.25 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.22 1skr h GLU 165 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 1skr h GLU 165 CO 0.32 0.00 -0.85 0.93 -1.16 0.00 0.00 179.01 178.25 1skr h GLU 166 N 0.00 0.70 -0.40 2.33 3.07 -1.99 -2.17 114.58 116.11 1skr h GLU 166 Ca 0.00 -0.62 -0.02 0.00 -0.50 0.00 0.00 59.36 58.22 1skr h GLU 166 Cb 0.24 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1skr h GLU 166 CO 0.00 1.23 0.18 1.98 -1.40 0.00 0.00 179.01 180.99 1skr h MET 167 N 0.45 0.58 -0.85 2.33 1.85 -1.78 -2.28 114.93 115.23 1skr h MET 167 Ca -0.07 -0.10 0.02 0.00 -0.61 0.00 0.00 59.70 58.95 1skr h MET 167 Cb 1.48 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 33.36 1skr h MET 167 CO 0.17 0.53 0.56 1.98 -0.40 0.00 0.00 176.91 179.75 1skr h MET 168 N 0.50 1.07 -0.33 0.39 -1.53 -1.36 -0.47 114.93 113.20 1skr h MET 168 Ca 0.13 -0.06 -0.12 0.00 -3.44 0.00 0.00 59.70 56.21 1skr h MET 168 Cb 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 1skr h MET 168 CO -0.01 0.71 -0.28 -0.44 0.14 0.00 0.00 176.91 177.02 1skr h ASP 169 N 1.11 0.70 0.21 1.39 3.32 -1.05 -1.75 116.42 120.35 1skr h ASP 169 Ca 0.33 -0.27 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1skr h ASP 169 Cb -0.05 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1skr h ASP 169 CO -0.09 0.94 -0.52 1.88 -1.72 0.00 0.00 179.24 179.74 1skr h TYR 170 N 0.58 0.42 -0.18 4.55 0.05 -0.84 -1.32 116.97 120.24 1skr h TYR 170 Ca 0.07 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1skr h TYR 170 Cb 0.78 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.43 1skr h TYR 170 CO 0.04 0.79 0.06 -0.97 -1.05 0.00 0.00 178.16 177.02 1skr h ASN 171 N 0.27 0.26 -0.98 3.88 -0.00 -0.83 -0.33 115.58 117.84 1skr h ASN 171 Ca 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 56.30 56.12 1skr h ASN 171 Cb 1.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 38.32 39.20 1skr h ASN 171 CO 0.09 0.38 0.63 0.58 -0.00 0.00 0.00 177.43 179.11 1skr h VAL 172 N 0.12 1.26 0.00 2.57 2.07 -1.19 -1.74 116.25 119.34 1skr h VAL 172 Ca 0.06 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 1skr h VAL 172 Cb 0.21 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1skr h VAL 172 CO -0.00 0.26 -0.30 1.56 0.02 0.00 0.00 177.57 179.11 1skr h GLN 173 N 1.34 0.00 -0.06 1.57 1.08 -0.76 -2.50 115.11 115.79 1skr h GLN 173 Ca 0.36 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 1skr h GLN 173 Cb -0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 1skr h GLN 173 CO -0.07 0.30 0.03 -0.44 -0.95 0.00 0.00 178.83 177.70 1skr h ASP 174 N 0.00 0.08 -0.72 1.46 3.32 -0.13 -1.68 116.42 118.74 1skr h ASP 174 Ca -0.00 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.90 1skr h ASP 174 Cb 0.54 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1skr h ASP 174 CO 0.04 0.16 0.26 0.58 -1.72 0.00 0.00 179.24 178.56 1skr h VAL 175 N -0.01 1.25 -0.09 -1.35 2.07 -1.37 0.45 116.25 117.20 1skr h VAL 175 Ca 0.02 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1skr h VAL 175 Cb 0.10 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1skr h VAL 175 CO -0.00 0.33 0.05 -0.37 0.02 0.00 0.00 177.57 177.60 1skr h VAL 176 N 1.04 1.06 -0.58 2.57 -1.51 -1.35 0.23 116.25 117.71 1skr h VAL 176 Ca 0.24 -0.17 -0.05 0.00 -1.23 0.00 0.00 66.70 65.49 1skr h VAL 176 Cb 0.25 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.40 1skr h VAL 176 CO -0.01 0.06 0.16 0.58 -1.23 0.00 0.00 177.57 177.12 1skr h VAL 177 N 0.08 1.24 -0.61 7.19 2.07 -1.00 -2.26 116.25 122.95 1skr h VAL 177 Ca 0.03 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1skr h VAL 177 Cb 0.04 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1skr h VAL 177 CO -0.01 0.32 0.28 0.74 0.02 0.00 0.00 177.57 178.92 1skr h THR 178 N 0.82 1.21 -0.24 2.57 2.02 0.12 0.02 112.91 119.43 1skr h THR 178 Ca 0.18 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 1skr h THR 178 Cb 0.32 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1skr h THR 178 CO -0.00 0.25 0.01 0.50 0.37 0.00 0.00 175.52 176.64 1skr h LYS 179 N 0.86 0.41 -0.71 6.66 3.64 -0.75 -0.08 116.57 126.61 1skr h LYS 179 Ca 0.21 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1skr h LYS 179 Cb 0.11 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1skr h LYS 179 CO -0.03 0.58 0.42 0.00 -2.27 0.00 0.00 179.45 178.16 1skr h ALA 180 N 0.81 0.90 -0.34 5.00 0.00 -0.99 -1.27 119.26 123.37 1skr h ALA 180 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1skr h ALA 180 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1skr h ALA 180 CO 0.01 0.38 0.17 1.25 0.00 0.00 0.00 179.25 181.06 1skr h LEU 181 N 0.96 0.44 0.15 0.00 6.46 -0.82 -1.69 115.31 120.81 1skr h LEU 181 Ca 0.25 -0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.92 1skr h LEU 181 Cb -0.03 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 39.75 1skr h LEU 181 CO -0.05 0.43 -0.32 0.25 -0.62 0.00 0.00 178.44 178.13 1skr h LEU 182 N 0.42 -0.90 -1.22 2.25 5.85 -0.55 -0.03 115.31 121.12 1skr h LEU 182 Ca 0.12 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1skr h LEU 182 Cb 0.10 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1skr h LEU 182 CO -0.02 -0.41 0.54 -0.33 -0.34 0.00 0.00 178.44 177.88 1skr h GLU 183 N -0.56 0.97 -0.58 1.25 5.08 -1.16 0.28 114.58 119.87 1skr h GLU 183 Ca 0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1skr h GLU 183 Cb 0.58 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1skr h GLU 183 CO -0.17 0.64 0.29 -0.22 -1.00 0.00 0.00 179.01 178.56 1skr h LYS 184 N 1.00 0.83 -0.40 2.33 3.64 -0.81 -1.93 116.57 121.22 1skr h LYS 184 Ca 0.33 -0.12 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 1skr h LYS 184 Cb 0.05 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1skr h LYS 184 CO -0.10 0.66 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.36 1skr h LEU 185 N 0.78 0.94 0.00 5.20 3.38 0.36 -2.90 115.31 123.07 1skr h LEU 185 Ca 0.20 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1skr h LEU 185 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1skr h LEU 185 CO -0.03 1.17 0.00 0.18 0.09 0.00 0.00 178.44 179.86 1skr n LEU 186 N -4.08 0.00 -0.46 1.67 4.77 0.85 -2.63 117.00 117.12 1skr n LEU 186 Ca -0.01 0.38 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1skr n LEU 186 Cb 0.50 -0.38 0.45 0.00 -2.33 0.00 0.00 43.42 41.67 1skr n LEU 186 CO 0.47 -0.14 0.79 -1.54 -1.33 0.00 0.00 177.39 175.64 1skr n SER 187 N -1.38 1.51 -4.55 -1.43 3.41 -0.75 -4.74 113.62 105.69 1skr n SER 187 Ca 0.07 -1.40 -0.41 0.00 -0.26 0.00 0.00 58.87 56.87 1skr n SER 187 Cb 0.18 0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1skr n SER 187 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1skr s ASP 188 N -2.12 6.17 0.55 4.04 -1.08 -1.08 -4.87 116.67 118.27 1skr s ASP 188 Ca 0.34 -0.51 0.29 0.00 -0.52 0.00 0.00 52.55 52.15 1skr s ASP 188 Cb 0.20 -2.55 1.46 0.00 -1.46 0.00 0.00 42.92 40.57 1skr s ASP 188 CO 0.38 -1.81 1.94 0.07 0.52 0.00 0.00 175.17 176.26 1skr h LYS 189 N 10.00 0.00 -0.42 4.34 5.09 -1.86 -0.80 116.57 132.93 1skr h LYS 189 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.42 1skr h LYS 189 Cb 1.05 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.36 1skr h LYS 189 CO 1.28 0.00 0.02 1.25 -2.09 0.00 0.00 179.45 179.91 1skr h HIS 190 N 0.00 0.70 0.00 0.07 6.17 -1.98 -3.24 115.15 116.87 1skr h HIS 190 Ca 0.30 -0.08 -0.14 0.00 0.71 0.00 0.00 60.37 61.16 1skr h HIS 190 Cb 1.30 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 31.00 1skr h HIS 190 CO 0.00 0.65 -2.12 0.66 0.71 0.00 0.00 177.93 177.84 1skr n TYR 191 N -4.25 0.00 -3.72 5.26 4.02 -0.61 -4.77 117.16 113.08 1skr n TYR 191 Ca 0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.63 1skr n TYR 191 Cb 0.26 -0.67 -0.16 0.00 -0.02 0.00 0.00 39.34 38.75 1skr n TYR 191 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1skr s PHE 192 N -3.08 1.03 0.12 -0.72 0.08 -0.40 -1.97 117.98 113.04 1skr s PHE 192 Ca -0.08 -0.90 -0.35 0.00 0.12 0.00 0.00 56.93 55.71 1skr s PHE 192 Cb 0.10 -1.06 -0.15 0.00 -0.57 0.00 0.00 43.02 41.34 1skr s PHE 192 CO 0.85 -0.63 1.46 -2.30 -0.10 0.00 0.00 175.22 174.50 1skr n PRO 193 N 5.05 1.65 0.06 0.24 -0.02 -1.25 -4.01 135.00 136.71 1skr n PRO 193 Ca -0.08 0.60 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 1skr n PRO 193 Cb 0.47 -2.30 0.62 0.00 -0.02 0.00 0.00 33.50 32.27 1skr n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1skr h PRO 194 N 5.27 0.11 0.00 0.52 0.11 -1.95 -2.69 132.00 133.37 1skr h PRO 194 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1skr h PRO 194 Cb 1.29 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1skr h PRO 194 CO 0.83 0.07 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1skr n GLU 195 N -4.45 0.00 -4.81 1.05 4.71 -1.26 -4.70 120.64 111.18 1skr n GLU 195 Ca 0.06 0.20 -0.33 0.00 -0.01 0.00 0.00 57.16 57.08 1skr n GLU 195 Cb 0.38 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.17 1skr n GLU 195 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1skr s ILE 196 N -3.00 2.99 -0.65 -3.67 1.01 -1.02 -5.06 121.20 111.81 1skr s ILE 196 Ca 0.08 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 59.82 1skr s ILE 196 Cb 0.12 -2.25 0.06 0.00 0.01 0.00 0.00 42.46 40.40 1skr s ILE 196 CO 0.32 0.53 0.97 -0.62 0.00 0.00 0.00 174.94 176.14 1skr s ASP 197 N 0.32 6.19 0.00 3.58 -1.08 -1.26 -4.88 116.67 119.55 1skr s ASP 197 Ca -0.11 -0.89 0.18 0.00 -0.52 0.00 0.00 52.55 51.21 1skr s ASP 197 Cb -0.16 -2.42 1.00 0.00 -1.46 0.00 0.00 42.92 39.88 1skr s ASP 197 CO 0.06 -1.42 1.47 0.49 0.52 0.00 0.00 175.17 176.29 1skr n PHE 198 N 7.72 0.00 0.59 -5.34 3.01 -1.26 -1.70 117.46 120.48 1skr n PHE 198 Ca -0.03 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.55 1skr n PHE 198 Cb 0.46 -0.08 0.21 0.00 -0.01 0.00 0.00 39.48 40.05 1skr n PHE 198 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1skr n THR 199 N -1.08 0.34 -2.37 4.37 -2.24 -1.26 -4.32 114.28 107.72 1skr n THR 199 Ca 0.12 -0.64 -0.04 0.00 -2.27 0.00 0.00 64.05 61.21 1skr n THR 199 Cb 0.08 1.06 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1skr n THR 199 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1skr n ASP 200 N 1.34 2.31 -4.11 3.42 2.03 -0.69 -4.45 116.55 116.41 1skr n ASP 200 Ca 0.18 -2.74 -0.09 0.00 0.52 0.00 0.00 54.79 52.66 1skr n ASP 200 Cb 0.58 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 40.47 1skr n ASP 200 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1skr s VAL 201 N -3.07 0.43 1.02 5.18 -7.23 -1.25 -4.97 120.40 110.51 1skr s VAL 201 Ca 0.36 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.70 1skr s VAL 201 Cb 0.37 -1.38 0.20 0.00 0.56 0.00 0.00 36.38 36.13 1skr s VAL 201 CO -0.05 -0.84 1.10 -0.83 -0.31 0.00 0.00 175.10 174.17 1skr s GLY 202 N -2.70 1.56 0.11 2.32 0.00 -1.26 -4.79 107.32 102.57 1skr s GLY 202 Ca 0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 1skr s GLY 202 CO -0.06 0.18 1.72 0.10 0.00 0.00 0.00 173.10 175.04 1skr h TYR 203 N -1.96 0.28 -0.70 1.90 -0.00 -1.30 -2.09 116.97 113.11 1skr h TYR 203 Ca -0.54 -0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.29 1skr h TYR 203 Cb 1.33 -0.09 -0.05 0.00 0.00 0.00 0.00 36.73 37.92 1skr h TYR 203 CO 0.06 0.24 0.47 0.00 -0.00 0.00 0.00 178.16 178.92 1skr h THR 204 N 0.24 0.92 -0.20 -0.90 1.03 -1.88 -1.55 112.91 110.56 1skr h THR 204 Ca 0.07 -0.20 -0.12 0.00 -0.01 0.00 0.00 66.41 66.16 1skr h THR 204 Cb 0.05 0.30 -0.00 0.00 -1.07 0.00 0.00 68.15 67.42 1skr h THR 204 CO -0.01 0.10 -0.33 0.74 -0.01 0.00 0.00 175.52 176.01 1skr h THR 205 N 0.57 1.33 -0.34 0.00 2.02 -1.84 -2.41 112.91 112.24 1skr h THR 205 Ca 0.33 -1.55 0.07 0.00 0.77 0.00 0.00 66.41 66.02 1skr h THR 205 Cb 0.51 1.83 -0.07 0.00 -1.74 0.00 0.00 68.15 68.68 1skr h THR 205 CO -0.11 0.48 -0.10 0.15 0.37 0.00 0.00 175.52 176.31 1skr h PHE 206 N 0.27 -0.22 -0.19 3.16 3.04 -0.61 0.15 116.94 122.54 1skr h PHE 206 Ca 0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.90 1skr h PHE 206 Cb 0.92 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.58 1skr h PHE 206 CO 0.09 -0.16 -0.28 -1.49 -2.02 0.00 0.00 178.31 174.45 1skr h TRP 207 N -0.02 0.64 0.00 0.41 -0.00 -1.51 -3.08 115.95 112.39 1skr h TRP 207 Ca 0.17 -0.21 -0.07 0.00 -0.00 0.00 0.00 58.89 58.78 1skr h TRP 207 Cb 0.27 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 1skr h TRP 207 CO -0.33 0.92 -0.32 0.66 -0.00 0.00 0.00 178.44 179.37 1skr h SER 208 N 0.18 0.00 0.08 -3.49 4.64 -1.22 -3.23 113.55 110.51 1skr h SER 208 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1skr h SER 208 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1skr h SER 208 CO 0.06 0.32 -0.64 -0.62 -0.87 0.00 0.00 176.83 175.09 1skr n GLU 209 N -3.45 0.59 -3.61 4.77 -0.58 0.02 -4.95 120.64 113.44 1skr n GLU 209 Ca 0.00 -0.46 -0.20 0.00 -0.42 0.00 0.00 57.16 56.08 1skr n GLU 209 Cb 0.49 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1skr n GLU 209 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1skr s SER 210 N -2.73 6.10 0.37 1.62 1.04 -1.16 -4.58 113.70 114.37 1skr s SER 210 Ca 0.15 -0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.29 1skr s SER 210 Cb 0.17 -1.52 -0.12 0.00 0.10 0.00 0.00 66.02 64.66 1skr s SER 210 CO 0.69 -0.32 1.00 -0.11 0.98 0.00 0.00 173.24 175.48 1skr n LEU 211 N -1.60 2.25 -0.29 2.42 7.94 -0.83 -4.83 117.00 122.06 1skr n LEU 211 Ca -0.03 1.09 0.23 0.00 -1.11 0.00 0.00 56.01 56.18 1skr n LEU 211 Cb 0.58 -1.33 0.54 0.00 0.53 0.00 0.00 43.42 43.74 1skr n LEU 211 CO 0.44 -1.47 1.23 -0.08 -1.11 0.00 0.00 177.39 176.40 1skr h GLU 212 N 1.71 0.34 -0.63 1.96 4.81 -1.90 -1.37 114.58 119.50 1skr h GLU 212 Ca -0.43 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1skr h GLU 212 Cb 1.34 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1skr h GLU 212 CO 0.58 0.22 0.42 0.00 -0.73 0.00 0.00 179.01 179.50 1skr h ALA 213 N 1.59 1.92 -0.77 2.92 0.00 -1.86 -2.14 119.26 120.92 1skr h ALA 213 Ca 0.54 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1skr h ALA 213 Cb 1.46 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1skr h ALA 213 CO -0.21 -0.05 0.37 0.28 0.00 0.00 0.00 179.25 179.64 1skr h VAL 214 N 0.51 1.25 -0.11 0.00 2.07 -1.58 -1.82 116.25 116.55 1skr h VAL 214 Ca 0.28 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1skr h VAL 214 Cb 0.45 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1skr h VAL 214 CO -0.09 0.29 -0.09 -0.78 0.02 0.00 0.00 177.57 176.93 1skr h ASP 215 N 1.09 0.28 -0.48 0.57 3.58 -1.53 -2.96 116.42 116.96 1skr h ASP 215 Ca 0.26 -0.46 0.04 0.00 0.42 0.00 0.00 57.03 57.29 1skr h ASP 215 Cb 0.12 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 1skr h ASP 215 CO -0.03 0.68 0.25 0.40 -2.88 0.00 0.00 179.24 177.66 1skr h ILE 216 N -0.12 0.98 -0.56 2.25 2.04 -1.26 -1.57 117.51 119.26 1skr h ILE 216 Ca 0.02 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1skr h ILE 216 Cb 0.59 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1skr h ILE 216 CO 0.02 0.09 0.16 -0.33 0.00 0.00 0.00 178.15 178.09 1skr h GLU 217 N 0.50 0.88 -0.42 2.37 4.39 -1.40 -0.07 114.58 120.83 1skr h GLU 217 Ca 0.21 -0.20 -0.07 0.00 0.34 0.00 0.00 59.36 59.64 1skr h GLU 217 Cb 0.10 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1skr h GLU 217 CO -0.14 0.81 -0.03 0.45 -1.16 0.00 0.00 179.01 178.94 1skr h HIS 218 N 0.79 0.75 -0.34 4.33 3.86 -1.33 -0.51 115.15 122.70 1skr h HIS 218 Ca 0.18 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.16 1skr h HIS 218 Cb 0.31 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1skr h HIS 218 CO 0.02 0.72 -0.28 0.00 0.86 0.00 0.00 177.93 179.26 1skr h ARG 219 N 0.66 0.79 -0.46 2.45 3.08 -1.05 -2.09 114.38 117.76 1skr h ARG 219 Ca 0.13 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1skr h ARG 219 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1skr h ARG 219 CO 0.02 1.02 0.07 0.00 -1.07 0.00 0.00 179.97 180.01 1skr h ALA 220 N 0.75 1.25 -0.35 0.04 0.00 -0.73 -1.89 119.26 118.34 1skr h ALA 220 Ca 0.06 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1skr h ALA 220 Cb 0.85 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1skr h ALA 220 CO 0.07 0.51 -0.36 0.00 0.00 0.00 0.00 179.25 179.47 1skr h ALA 221 N 1.39 0.51 -0.08 0.00 0.00 -0.99 -0.34 119.26 119.75 1skr h ALA 221 Ca 0.15 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1skr h ALA 221 Cb 0.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1skr h ALA 221 CO 0.01 0.59 0.03 2.35 0.00 0.00 0.00 179.25 182.23 1skr h TRP 222 N 0.65 0.12 -0.32 0.00 2.91 -1.18 -0.65 115.95 117.49 1skr h TRP 222 Ca 0.05 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 1skr h TRP 222 Cb 0.95 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1skr h TRP 222 CO 0.07 0.24 0.14 1.25 -1.03 0.00 0.00 178.44 179.11 1skr h LEU 223 N -0.04 0.43 -1.27 0.65 5.85 -1.35 -2.72 115.31 116.86 1skr h LEU 223 Ca 0.03 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1skr h LEU 223 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1skr h LEU 223 CO -0.00 0.46 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.14 1skr h LEU 224 N 0.37 0.03 -0.60 2.25 3.38 -0.97 -1.36 115.31 118.41 1skr h LEU 224 Ca 0.11 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1skr h LEU 224 Cb 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1skr h LEU 224 CO -0.01 0.38 0.16 0.00 0.09 0.00 0.00 178.44 179.06 1skr h ALA 225 N 1.63 0.79 -0.53 1.53 0.00 -0.99 -1.43 119.26 120.27 1skr h ALA 225 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1skr h ALA 225 Cb 0.62 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1skr h ALA 225 CO 0.05 0.49 0.28 -0.22 0.00 0.00 0.00 179.25 179.85 1skr h LYS 226 N 0.87 0.74 -0.29 0.00 1.63 -1.04 -2.19 116.57 116.29 1skr h LYS 226 Ca 0.19 -0.09 0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1skr h LYS 226 Cb 0.33 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1skr h LYS 226 CO -0.00 0.58 0.05 0.37 -3.45 0.00 0.00 179.45 177.01 1skr h GLN 227 N 0.71 0.16 -0.61 1.90 4.15 -0.88 0.41 115.11 120.94 1skr h GLN 227 Ca 0.19 -0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.69 1skr h GLN 227 Cb 0.06 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.64 1skr h GLN 227 CO -0.03 0.10 0.22 0.93 -1.93 0.00 0.00 178.83 178.13 1skr h GLU 228 N 0.16 0.39 -0.65 1.69 5.08 -1.01 -0.06 114.58 120.17 1skr h GLU 228 Ca 0.14 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1skr h GLU 228 Cb 0.15 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1skr h GLU 228 CO -0.18 0.26 0.24 0.00 -1.00 0.00 0.00 179.01 178.32 1skr h ARG 229 N 0.40 0.97 -0.10 2.33 3.08 -0.74 -2.76 114.38 117.56 1skr h ARG 229 Ca 0.31 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1skr h ARG 229 Cb 0.39 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1skr h ARG 229 CO -0.31 0.81 0.04 -0.91 -1.07 0.00 0.00 179.97 178.52 1skr h ASN 230 N 0.95 0.13 -4.02 7.04 2.35 0.55 -3.49 115.58 119.09 1skr h ASN 230 Ca 0.22 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1skr h ASN 230 Cb 0.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1skr h ASN 230 CO -0.02 0.24 0.00 0.61 -1.65 0.00 0.00 177.43 176.62 1skr n GLY 231 N -0.72 -1.73 3.16 2.83 0.00 -0.19 -4.87 105.19 103.67 1skr n GLY 231 Ca -0.06 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 1skr n GLY 231 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1skr s PHE 232 N -1.77 3.20 -0.08 1.61 2.19 0.26 -4.61 117.98 118.78 1skr s PHE 232 Ca 0.00 -1.88 -0.38 0.00 0.33 0.00 0.00 56.93 54.99 1skr s PHE 232 Cb 0.00 -2.05 -0.16 0.00 -1.31 0.00 0.00 43.02 39.50 1skr s PHE 232 CO 0.00 -0.80 1.53 -2.30 1.83 0.00 0.00 175.22 175.48 1skr n PRO 233 N 4.59 1.17 -5.02 10.12 -0.02 -1.26 -1.59 135.00 142.99 1skr n PRO 233 Ca -0.14 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 1skr n PRO 233 Cb 0.44 -2.09 -0.16 0.00 -0.02 0.00 0.00 33.50 31.67 1skr n PRO 233 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1skr s PHE 234 N 1.89 2.06 -1.24 6.00 5.36 -0.65 -1.94 117.98 129.46 1skr s PHE 234 Ca 0.91 -0.65 -0.15 0.00 -0.96 0.00 0.00 56.93 56.08 1skr s PHE 234 Cb -1.00 -1.38 0.14 0.00 -0.34 0.00 0.00 43.02 40.44 1skr s PHE 234 CO 0.55 -0.23 1.55 -3.47 -1.46 0.00 0.00 175.22 172.17 1skr n ASP 235 N 3.17 5.12 -0.26 6.13 -0.08 0.44 -4.79 116.55 126.28 1skr n ASP 235 Ca -0.18 -2.96 0.04 0.00 -1.51 0.00 0.00 54.79 50.18 1skr n ASP 235 Cb 0.52 -1.62 0.18 0.00 2.34 0.00 0.00 41.12 42.54 1skr n ASP 235 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1skr h THR 236 N 4.88 0.76 -0.28 5.18 2.02 -1.92 -2.44 112.91 121.11 1skr h THR 236 Ca 0.36 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.36 1skr h THR 236 Cb 0.86 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1skr h THR 236 CO 1.33 0.10 0.17 0.50 0.37 0.00 0.00 175.52 177.99 1skr h LYS 237 N 0.56 0.34 -0.56 6.66 3.11 -2.00 -1.29 116.57 123.40 1skr h LYS 237 Ca 0.40 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.23 1skr h LYS 237 Cb 0.53 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.65 1skr h LYS 237 CO -0.34 0.23 0.36 0.00 -2.81 0.00 0.00 179.45 176.89 1skr h ALA 238 N 1.12 1.58 0.00 5.00 0.00 -1.86 -2.00 119.26 123.09 1skr h ALA 238 Ca 0.11 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 1skr h ALA 238 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1skr h ALA 238 CO -0.04 0.39 -0.89 0.82 0.00 0.00 0.00 179.25 179.53 1skr h ILE 239 N 0.77 1.47 -0.19 0.00 1.08 -1.17 -1.40 117.51 118.06 1skr h ILE 239 Ca 0.21 -2.57 -0.08 0.00 -0.39 0.00 0.00 64.86 62.03 1skr h ILE 239 Cb -0.07 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1skr h ILE 239 CO -0.04 0.75 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.60 1skr h GLU 240 N 0.14 0.35 0.01 2.37 5.08 -0.79 -0.03 114.58 121.71 1skr h GLU 240 Ca -0.05 -0.12 -0.22 0.00 -1.00 0.00 0.00 59.36 57.97 1skr h GLU 240 Cb 1.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.74 1skr h GLU 240 CO 0.14 0.58 -0.94 0.93 -1.00 0.00 0.00 179.01 178.72 1skr h GLU 241 N 0.32 0.28 -0.35 2.33 5.08 -1.30 -2.32 114.58 118.62 1skr h GLU 241 Ca 0.05 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.00 1skr h GLU 241 Cb 0.60 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1skr h GLU 241 CO 0.04 1.04 -0.14 1.25 -1.00 0.00 0.00 179.01 180.21 1skr h LEU 242 N 0.15 0.60 -0.38 1.33 5.85 -0.84 -2.18 115.31 119.84 1skr h LEU 242 Ca -0.07 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 1skr h LEU 242 Cb 1.58 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 1skr h LEU 242 CO 0.15 0.76 0.04 0.22 -0.34 0.00 0.00 178.44 179.28 1skr h TYR 243 N 0.56 0.69 -0.50 1.25 3.20 -0.88 -0.87 116.97 120.43 1skr h TYR 243 Ca 0.10 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1skr h TYR 243 Cb 0.56 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1skr h TYR 243 CO 0.02 0.70 0.31 0.28 -1.64 0.00 0.00 178.16 177.84 1skr h VAL 244 N 0.49 1.15 -0.61 1.81 2.07 -1.16 0.39 116.25 120.39 1skr h VAL 244 Ca 0.11 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1skr h VAL 244 Cb 0.39 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1skr h VAL 244 CO 0.01 0.15 0.39 -0.08 0.02 0.00 0.00 177.57 178.06 1skr h GLU 245 N 0.67 0.82 -0.24 1.57 4.81 -1.24 -2.27 114.58 118.70 1skr h GLU 245 Ca 0.18 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.20 1skr h GLU 245 Cb -0.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1skr h GLU 245 CO -0.04 0.56 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.25 1skr h LEU 246 N 0.83 0.71 -0.86 1.64 3.38 -0.81 -2.80 115.31 117.39 1skr h LEU 246 Ca 0.22 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1skr h LEU 246 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1skr h LEU 246 CO -0.05 1.07 -0.04 0.00 0.09 0.00 0.00 178.44 179.52 1skr h ALA 247 N 0.95 1.05 -0.35 1.53 0.00 -0.74 -0.24 119.26 121.46 1skr h ALA 247 Ca 0.03 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1skr h ALA 247 Cb 1.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1skr h ALA 247 CO 0.10 0.59 -0.37 0.00 0.00 0.00 0.00 179.25 179.56 1skr h ALA 248 N 1.21 0.52 -0.10 0.00 0.00 -1.38 -1.41 119.26 118.10 1skr h ALA 248 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1skr h ALA 248 Cb 0.50 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1skr h ALA 248 CO 0.03 0.61 -0.34 -0.09 0.00 0.00 0.00 179.25 179.45 1skr h ARG 249 N 0.66 0.19 -0.25 0.00 9.65 -1.31 -1.42 114.38 121.91 1skr h ARG 249 Ca 0.05 -0.08 -0.07 0.00 -1.10 0.00 0.00 59.98 58.79 1skr h ARG 249 Cb 0.96 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 1skr h ARG 249 CO 0.09 0.52 -0.10 -0.09 2.80 0.00 0.00 179.97 183.19 1skr h ARG 250 N 0.17 0.51 -0.08 0.20 2.43 -0.80 -1.80 114.38 115.01 1skr h ARG 250 Ca 0.02 -0.21 0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1skr h ARG 250 Cb 0.69 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1skr h ARG 250 CO 0.05 0.76 0.00 0.77 -1.51 0.00 0.00 179.97 180.04 1skr h SER 251 N 0.25 -0.02 -0.53 -3.80 0.02 -0.94 0.04 113.55 108.56 1skr h SER 251 Ca 0.06 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1skr h SER 251 Cb 0.59 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.13 1skr h SER 251 CO 0.03 0.00 0.30 -0.08 -1.14 0.00 0.00 176.83 175.94 1skr h GLU 252 N 0.03 0.76 -0.10 3.45 4.57 -1.26 0.12 114.58 122.15 1skr h GLU 252 Ca 0.03 -0.08 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1skr h GLU 252 Cb 0.04 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 1skr h GLU 252 CO -0.06 0.57 -0.55 -0.07 -1.18 0.00 0.00 179.01 177.72 1skr h LEU 253 N 0.77 0.34 -0.30 1.64 3.38 -0.91 -1.57 115.31 118.66 1skr h LEU 253 Ca 0.20 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1skr h LEU 253 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1skr h LEU 253 CO -0.03 0.82 -0.26 0.25 0.09 0.00 0.00 178.44 179.31 1skr h LEU 254 N 0.23 0.75 -0.23 1.67 5.85 0.02 -0.75 115.31 122.86 1skr h LEU 254 Ca 0.00 -0.46 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1skr h LEU 254 Cb 1.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1skr h LEU 254 CO 0.09 1.05 0.14 -0.09 -0.34 0.00 0.00 178.44 179.29 1skr h ARG 255 N 0.46 0.31 -0.55 1.25 2.43 -0.69 0.27 114.38 117.86 1skr h ARG 255 Ca 0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1skr h ARG 255 Cb 0.83 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1skr h ARG 255 CO 0.07 0.24 0.19 0.87 -1.51 0.00 0.00 179.97 179.83 1skr h LYS 256 N 0.29 0.83 -0.29 0.20 1.57 -1.24 -2.49 116.57 115.44 1skr h LYS 256 Ca 0.08 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.58 1skr h LYS 256 Cb 0.01 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1skr h LYS 256 CO -0.02 0.75 -0.25 -0.07 -0.57 0.00 0.00 179.45 179.28 1skr h LEU 257 N 0.75 0.73 0.00 2.94 3.38 -0.85 -2.22 115.31 120.04 1skr h LEU 257 Ca 0.18 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1skr h LEU 257 Cb 0.24 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1skr h LEU 257 CO -0.01 1.04 0.00 0.35 0.09 0.00 0.00 178.44 179.91 1skr n THR 258 N -4.29 0.86 0.03 0.22 -2.24 0.92 -0.31 114.28 109.46 1skr n THR 258 Ca -0.04 0.21 -0.22 0.00 -2.27 0.00 0.00 64.05 61.74 1skr n THR 258 Cb 0.45 -0.95 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 1skr n THR 258 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1skr h GLU 259 N 0.00 0.30 0.05 -0.78 4.81 -1.15 -3.38 114.58 114.44 1skr h GLU 259 Ca 0.00 -0.51 -0.22 0.00 -0.13 0.00 0.00 59.36 58.50 1skr h GLU 259 Cb 0.24 0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.83 1skr h GLU 259 CO 0.00 1.25 -0.89 1.15 -0.73 0.00 0.00 179.01 179.78 1skr h THR 260 N -0.01 1.37 -3.54 0.32 2.02 -0.79 -3.40 112.91 108.88 1skr h THR 260 Ca -0.38 -2.28 -0.71 0.00 0.77 0.00 0.00 66.41 63.81 1skr h THR 260 Cb 2.00 2.67 -0.34 0.00 -1.74 0.00 0.00 68.15 70.74 1skr h THR 260 CO 0.10 0.68 -0.35 -0.36 0.37 0.00 0.00 175.52 175.96 1skr s PHE 261 N -3.05 3.47 0.90 3.16 0.08 0.58 -5.05 117.98 118.07 1skr s PHE 261 Ca -0.12 -2.55 -0.11 0.00 0.12 0.00 0.00 56.93 54.27 1skr s PHE 261 Cb 0.04 -3.28 0.13 0.00 -0.57 0.00 0.00 43.02 39.35 1skr s PHE 261 CO 0.87 -0.88 1.11 0.20 -0.10 0.00 0.00 175.22 176.42 1skr s GLY 262 N 1.12 1.66 1.13 4.36 0.00 -1.26 -4.52 107.32 109.81 1skr s GLY 262 Ca 0.15 0.30 -0.16 0.00 0.00 0.00 0.00 44.72 45.01 1skr s GLY 262 CO -0.04 0.75 1.10 -1.35 0.00 0.00 0.00 173.10 173.55 1skr s SER 263 N -2.99 1.50 0.27 1.64 1.04 -1.26 -4.70 113.70 109.19 1skr s SER 263 Ca 0.65 0.86 -0.21 0.00 0.48 0.00 0.00 55.95 57.73 1skr s SER 263 Cb -0.21 -1.29 0.05 0.00 0.10 0.00 0.00 66.02 64.67 1skr s SER 263 CO 0.58 -3.79 0.83 -1.66 0.98 0.00 0.00 173.24 170.18 1skr s TRP 264 N -2.96 -0.06 0.12 5.02 -2.14 -0.81 -5.00 118.94 113.10 1skr s TRP 264 Ca 0.69 -0.42 0.06 0.00 2.66 0.00 0.00 56.10 59.09 1skr s TRP 264 Cb -0.14 0.73 -0.04 0.00 -3.10 0.00 0.00 33.47 30.92 1skr s TRP 264 CO 0.57 -1.20 -0.05 0.71 -2.66 0.00 0.00 176.95 174.32 1skr s TYR 265 N -3.12 2.84 0.05 1.66 1.51 -1.26 -0.12 117.35 118.90 1skr s TYR 265 Ca 0.14 -0.11 -0.09 0.00 -1.01 0.00 0.00 57.07 55.99 1skr s TYR 265 Cb -0.04 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.36 1skr s TYR 265 CO 0.07 0.46 0.19 1.14 -1.11 0.00 0.00 175.55 176.30 1skr s GLN 266 N -2.40 0.71 0.26 -0.62 -2.07 -0.83 -4.97 119.66 109.74 1skr s GLN 266 Ca 0.24 -0.68 -0.30 0.00 -1.82 0.00 0.00 55.36 52.80 1skr s GLN 266 Cb -0.11 0.29 -0.11 0.00 -1.09 0.00 0.00 33.01 32.00 1skr s GLN 266 CO 0.16 -0.21 1.50 -1.25 -1.32 0.00 0.00 175.29 174.18 1skr s PRO 267 N -2.73 4.21 -0.30 9.60 0.04 -1.26 -1.15 135.00 143.41 1skr s PRO 267 Ca -0.04 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 1skr s PRO 267 Cb -0.00 -3.08 0.15 0.00 0.04 0.00 0.00 34.50 31.61 1skr s PRO 267 CO -0.05 -0.51 0.65 0.21 0.04 0.00 0.00 177.00 177.34 1skr s LYS 268 N -0.39 0.56 0.00 4.56 2.47 -0.55 -4.83 119.74 121.57 1skr s LYS 268 Ca 0.61 1.29 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 1skr s LYS 268 Cb -0.44 0.76 0.00 0.00 -1.46 0.00 0.00 37.83 36.69 1skr s LYS 268 CO 0.45 -0.33 0.00 0.41 0.16 0.00 0.00 175.35 176.04 1skr n GLY 269 N 5.43 0.86 3.68 5.54 0.00 -1.26 -3.96 105.19 115.48 1skr n GLY 269 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1skr n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1skr s GLY 270 N -0.66 1.57 -0.03 -0.02 0.00 -1.26 -4.84 107.32 102.09 1skr s GLY 270 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 44.72 45.94 1skr s GLY 270 CO 0.00 2.92 0.13 -1.30 0.00 0.00 0.00 173.10 174.85 1skr n THR 271 N 4.89 0.13 -4.05 0.90 -2.24 -1.06 -4.79 114.28 108.06 1skr n THR 271 Ca 0.16 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 1skr n THR 271 Cb 0.41 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1skr n THR 271 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1skr s GLU 272 N -2.43 3.06 0.07 -0.78 2.12 0.27 -4.95 118.70 116.06 1skr s GLU 272 Ca -0.03 -0.82 -0.17 0.00 0.36 0.00 0.00 54.97 54.31 1skr s GLU 272 Cb 0.04 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.64 1skr s GLU 272 CO 0.31 0.48 0.52 1.41 -0.54 0.00 0.00 175.26 177.44 1skr s MET 273 N -3.25 4.08 -0.21 4.30 -2.45 -1.26 -0.57 119.30 119.93 1skr s MET 273 Ca 0.32 0.60 -0.19 0.00 -1.25 0.00 0.00 55.69 55.17 1skr s MET 273 Cb -0.10 -3.18 -0.03 0.00 1.25 0.00 0.00 34.83 32.78 1skr s MET 273 CO 0.25 0.62 0.56 0.12 1.05 0.00 0.00 175.02 177.62 1skr s PHE 274 N -1.17 3.35 -0.04 4.11 5.36 -1.26 -4.78 117.98 123.55 1skr s PHE 274 Ca 0.29 0.81 0.06 0.00 -0.96 0.00 0.00 56.93 57.12 1skr s PHE 274 Cb -0.18 -2.73 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 1skr s PHE 274 CO 0.18 -0.16 -0.21 0.00 -1.46 0.00 0.00 175.22 173.57 1skr n HIS 276 N 2.48 2.39 -0.07 0.00 -0.00 -0.93 -4.82 115.22 114.28 1skr n HIS 276 Ca -0.17 0.03 -0.08 0.00 0.46 0.00 0.00 57.72 57.97 1skr n HIS 276 Cb 0.52 -2.65 -0.01 0.00 -0.12 0.00 0.00 29.99 27.73 1skr n HIS 276 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1skr h PRO 277 N 8.07 -0.22 0.60 1.57 0.11 -1.95 0.85 132.00 141.03 1skr h PRO 277 Ca -0.47 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 1skr h PRO 277 Cb 1.25 0.05 0.01 0.00 0.11 0.00 0.00 31.00 32.42 1skr h PRO 277 CO 0.93 -0.14 -0.29 -0.09 -0.21 0.00 0.00 178.00 178.20 1skr h ARG 278 N -0.22 -0.78 0.20 1.05 2.43 -2.01 -3.38 114.38 111.67 1skr h ARG 278 Ca 0.15 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1skr h ARG 278 Cb 0.46 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1skr h ARG 278 CO -0.43 -0.52 -0.09 1.15 -1.51 0.00 0.00 179.97 178.57 1skr h THR 279 N -1.13 0.82 0.00 0.20 2.02 -1.96 -3.48 112.91 109.38 1skr h THR 279 Ca -0.08 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1skr h THR 279 Cb 0.62 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1skr h THR 279 CO 0.14 0.19 0.00 0.61 0.37 0.00 0.00 175.52 176.83 1skr n GLY 280 N 0.35 0.62 3.76 2.16 0.00 0.30 -4.99 105.19 107.37 1skr n GLY 280 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1skr n GLY 280 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1skr s LYS 281 N -0.99 4.71 0.34 1.61 -2.85 -1.26 -4.58 119.74 116.72 1skr s LYS 281 Ca 0.00 1.71 -0.29 0.00 -1.00 0.00 0.00 55.97 56.40 1skr s LYS 281 Cb 0.00 -3.22 -0.11 0.00 -2.06 0.00 0.00 37.83 32.45 1skr s LYS 281 CO 0.00 0.30 1.41 -2.14 0.10 0.00 0.00 175.35 175.02 1skr s PRO 282 N -1.37 4.23 -0.58 1.78 0.02 -1.26 -2.19 135.00 135.63 1skr s PRO 282 Ca 0.43 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.91 1skr s PRO 282 Cb -0.30 -3.02 0.33 0.00 0.02 0.00 0.00 34.50 31.52 1skr s PRO 282 CO 0.38 -0.38 0.92 1.28 -0.33 0.00 0.00 177.00 178.88 1skr n LEU 283 N 0.81 4.29 0.25 -5.54 4.77 -0.53 -4.93 117.00 116.12 1skr n LEU 283 Ca 0.01 -5.64 0.04 0.00 -0.03 0.00 0.00 56.01 50.39 1skr n LEU 283 Cb 0.40 -0.53 0.20 0.00 -2.33 0.00 0.00 43.42 41.17 1skr n LEU 283 CO 0.61 2.32 0.91 1.55 -1.33 0.00 0.00 177.39 181.46 1skr h PRO 284 N 3.11 0.00 -0.05 3.23 0.13 -1.93 0.18 132.00 136.67 1skr h PRO 284 Ca 0.14 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.10 1skr h PRO 284 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 1skr h PRO 284 CO 0.81 0.00 -0.63 0.87 -0.23 0.00 0.00 178.00 178.82 1skr h LYS 285 N 0.00 0.52 -7.04 0.86 6.56 -1.94 -3.45 116.57 112.09 1skr h LYS 285 Ca 0.00 -0.49 -0.55 0.00 -1.06 0.00 0.00 60.65 58.54 1skr h LYS 285 Cb 1.36 0.12 0.14 0.00 -0.57 0.00 0.00 32.23 33.28 1skr h LYS 285 CO 0.00 1.13 0.60 0.66 -2.06 0.00 0.00 179.45 179.78 1skr n TYR 286 N -4.15 2.30 -1.65 -1.35 4.01 0.63 -4.91 117.16 112.03 1skr n TYR 286 Ca -0.09 0.43 -0.38 0.00 -0.16 0.00 0.00 57.90 57.70 1skr n TYR 286 Cb 0.68 -2.36 0.05 0.00 -0.31 0.00 0.00 39.34 37.39 1skr n TYR 286 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1skr n PRO 287 N -1.01 1.14 -2.18 -0.72 -0.02 -1.26 -4.80 135.00 126.15 1skr n PRO 287 Ca 0.10 0.43 -0.37 0.00 -2.02 0.00 0.00 63.50 61.65 1skr n PRO 287 Cb 0.45 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1skr n PRO 287 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1skr s ARG 288 N -2.74 3.58 0.00 -0.52 1.81 -1.26 -4.58 118.95 115.24 1skr s ARG 288 Ca 0.74 1.82 0.00 0.00 -1.72 0.00 0.00 55.73 56.57 1skr s ARG 288 Cb -0.43 -2.31 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 1skr s ARG 288 CO 0.48 -0.71 0.00 0.44 -0.68 0.00 0.00 175.30 174.83 1skr n ILE 289 N -0.72 0.00 -3.76 1.52 -5.35 0.26 -4.18 119.36 107.13 1skr n ILE 289 Ca 0.09 -0.02 -0.13 0.00 -0.27 0.00 0.00 62.75 62.41 1skr n ILE 289 Cb 0.48 -0.10 -0.14 0.00 -1.74 0.00 0.00 39.64 38.14 1skr n ILE 289 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1skr s LYS 290 N -2.02 0.13 -0.50 6.28 2.20 -0.77 -0.57 119.74 124.51 1skr s LYS 290 Ca 0.00 0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1skr s LYS 290 Cb -0.00 -0.10 0.13 0.00 -1.51 0.00 0.00 37.83 36.35 1skr s LYS 290 CO 0.00 -0.13 0.29 0.99 -0.36 0.00 0.00 175.35 176.14 1skr s THR 291 N 0.89 3.32 0.09 3.43 2.01 -1.26 -2.37 115.64 121.75 1skr s THR 291 Ca -0.07 -2.52 -0.37 0.00 0.31 0.00 0.00 61.69 59.05 1skr s THR 291 Cb -0.08 -3.25 -0.17 0.00 0.01 0.00 0.00 72.50 69.01 1skr s THR 291 CO -0.05 -0.77 1.31 -0.81 -0.69 0.00 0.00 174.62 173.62 1skr n PRO 292 N 4.03 1.09 0.01 4.92 -0.04 -1.26 -4.70 135.00 139.05 1skr n PRO 292 Ca 0.03 0.39 -0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1skr n PRO 292 Cb 0.39 -2.01 -0.08 0.00 -0.04 0.00 0.00 33.50 31.76 1skr n PRO 292 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1skr h LYS 293 N 4.36 -0.13 -5.93 0.54 -0.00 -1.95 -1.37 116.57 112.09 1skr h LYS 293 Ca -0.47 0.01 -0.62 0.00 -0.00 0.00 0.00 60.65 59.57 1skr h LYS 293 Cb 1.34 0.03 -0.04 0.00 -0.00 0.00 0.00 32.23 33.56 1skr h LYS 293 CO 0.76 0.37 -0.43 0.14 -0.00 0.00 0.00 179.45 180.29 1skr s VAL 294 N -3.05 5.34 0.00 0.07 -7.23 -1.26 -4.46 120.40 109.81 1skr s VAL 294 Ca -0.13 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.92 1skr s VAL 294 Cb -0.00 -3.59 0.00 0.00 0.56 0.00 0.00 36.38 33.35 1skr s VAL 294 CO 0.48 0.22 0.00 0.61 -0.31 0.00 0.00 175.10 176.10 1skr n GLY 295 N 0.61 4.56 3.82 2.32 0.00 -1.26 -3.97 105.19 111.27 1skr n GLY 295 Ca -0.07 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 1skr n GLY 295 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1skr s GLY 296 N 0.00 0.22 -0.76 -0.02 0.00 -1.20 -0.00 107.32 105.56 1skr s GLY 296 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 44.72 43.94 1skr s GLY 296 CO 0.00 -0.24 0.86 -0.42 0.00 0.00 0.00 173.10 173.30 1skr s ILE 297 N -2.92 4.98 0.00 0.90 1.09 -1.26 -4.78 121.20 119.21 1skr s ILE 297 Ca 0.14 -1.52 0.00 0.00 -1.10 0.00 0.00 60.65 58.17 1skr s ILE 297 Cb -0.05 -4.58 0.00 0.00 -1.06 0.00 0.00 42.46 36.77 1skr s ILE 297 CO 0.10 -1.23 0.00 -0.67 -0.10 0.00 0.00 174.94 173.04 1skr n ASP 316 N 5.85 -0.72 -0.36 3.58 4.64 -1.26 -5.04 116.55 123.24 1skr n ASP 316 Ca 0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 1skr n ASP 316 Cb 0.46 -0.36 0.02 0.00 -1.04 0.00 0.00 41.12 40.19 1skr n ASP 316 CO 0.00 0.00 0.00 0.35 -0.82 0.00 0.00 177.20 176.73 1skr n THR 317 N 0.14 0.09 -1.95 5.18 -2.24 -1.26 -4.85 114.28 109.39 1skr n THR 317 Ca 0.00 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1skr n THR 317 Cb 0.00 -0.28 0.03 0.00 -2.10 0.00 0.00 70.33 67.98 1skr n THR 317 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1skr s ARG 318 N -1.44 2.98 0.30 -0.78 0.52 -1.26 -4.94 118.95 114.33 1skr s ARG 318 Ca 0.02 1.54 0.22 0.00 -0.52 0.00 0.00 55.73 57.00 1skr s ARG 318 Cb 0.02 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.66 1skr s ARG 318 CO 0.01 -1.13 1.28 1.05 0.02 0.00 0.00 175.30 176.53 1skr h GLU 319 N 0.53 0.00 -6.18 3.54 9.09 -1.95 -3.47 114.58 116.14 1skr h GLU 319 Ca -0.48 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 58.40 1skr h GLU 319 Cb 1.26 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.34 1skr h GLU 319 CO 0.55 0.03 -0.37 0.71 0.05 0.00 0.00 179.01 179.97 1skr s TYR 320 N -3.27 3.48 -0.15 2.06 2.02 -1.26 -5.08 117.35 115.15 1skr s TYR 320 Ca 0.03 0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1skr s TYR 320 Cb 0.08 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1skr s TYR 320 CO 0.74 0.41 -0.07 0.08 -1.57 0.00 0.00 175.55 175.14 1skr s VAL 321 N -1.86 1.15 -0.09 0.71 1.01 -1.26 -3.23 120.40 116.83 1skr s VAL 321 Ca 0.37 -0.55 -0.40 0.00 0.00 0.00 0.00 61.98 61.40 1skr s VAL 321 Cb -0.11 -1.25 -0.18 0.00 0.00 0.00 0.00 36.38 34.84 1skr s VAL 321 CO 0.29 0.23 1.35 0.00 0.00 0.00 0.00 175.10 176.97 1skr n ALA 322 N 4.88 -1.88 0.00 5.51 0.00 1.00 0.23 120.51 130.24 1skr n ALA 322 Ca -0.13 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1skr n ALA 322 Cb 0.49 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1skr n ALA 322 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1skr n GLY 323 N 2.64 2.65 3.45 0.00 0.00 -0.51 -4.95 105.19 108.48 1skr n GLY 323 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1skr n GLY 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr s ALA 324 N -2.19 3.15 0.42 4.61 0.00 0.13 -4.95 121.76 122.94 1skr s ALA 324 Ca 0.00 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 49.92 1skr s ALA 324 Cb 0.00 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 1skr s ALA 324 CO 0.00 -2.67 1.13 -1.25 0.00 0.00 0.00 175.76 172.96 1skr s PRO 325 N 3.90 4.00 0.15 0.00 0.04 -1.26 -4.41 135.00 137.41 1skr s PRO 325 Ca 0.22 1.70 -0.09 0.00 0.04 0.00 0.00 61.00 62.87 1skr s PRO 325 Cb -0.17 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 1skr s PRO 325 CO 0.11 -0.33 0.26 1.52 0.04 0.00 0.00 177.00 178.61 1skr s TYR 326 N -1.54 0.33 -0.35 0.56 1.13 -1.00 -5.01 117.35 111.48 1skr s TYR 326 Ca 0.59 -0.71 -0.11 0.00 -1.41 0.00 0.00 57.07 55.43 1skr s TYR 326 Cb -0.27 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.55 1skr s TYR 326 CO 0.33 -0.68 0.20 0.99 -2.51 0.00 0.00 175.55 173.89 1skr s THR 327 N -3.94 4.77 0.22 -3.49 2.01 -1.26 -1.84 115.64 112.10 1skr s THR 327 Ca 0.14 -0.57 -0.31 0.00 0.31 0.00 0.00 61.69 61.26 1skr s THR 327 Cb 0.04 -3.54 -0.10 0.00 0.01 0.00 0.00 72.50 68.90 1skr s THR 327 CO -0.03 -0.09 1.53 -2.84 -0.69 0.00 0.00 174.62 172.50 1skr s PRO 328 N 1.62 4.21 0.27 4.92 0.02 -1.26 -4.97 135.00 139.81 1skr s PRO 328 Ca 0.04 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1skr s PRO 328 Cb -0.18 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 1skr s PRO 328 CO 0.07 -0.55 0.10 0.14 -0.33 0.00 0.00 177.00 176.44 1skr s VAL 329 N 0.52 0.58 0.03 3.83 -7.23 -1.25 -1.48 120.40 115.40 1skr s VAL 329 Ca 0.65 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1skr s VAL 329 Cb -0.44 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1skr s VAL 329 CO 0.39 0.00 -0.04 -1.83 -0.31 0.00 0.00 175.10 173.31 1skr s GLU 330 N -3.99 0.38 -0.15 4.82 -1.05 -0.30 -4.71 118.70 113.70 1skr s GLU 330 Ca 0.37 -0.71 -0.17 0.00 -0.15 0.00 0.00 54.97 54.32 1skr s GLU 330 Cb 0.07 0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 1skr s GLU 330 CO 0.14 -0.04 0.43 -1.58 0.95 0.00 0.00 175.26 175.16 1skr s HIS 331 N -1.75 3.47 -0.09 4.83 5.65 -1.26 -1.97 115.29 124.17 1skr s HIS 331 Ca -0.12 0.77 0.03 0.00 0.25 0.00 0.00 55.06 56.00 1skr s HIS 331 Cb -0.08 -2.52 0.00 0.00 -1.18 0.00 0.00 32.58 28.81 1skr s HIS 331 CO -0.02 0.13 -0.19 0.14 -0.65 0.00 0.00 174.74 174.14 1skr s VAL 332 N 0.80 1.70 0.18 0.89 -7.23 0.83 -4.99 120.40 112.58 1skr s VAL 332 Ca 0.23 -0.81 -0.13 0.00 -1.81 0.00 0.00 61.98 59.46 1skr s VAL 332 Cb -0.15 -1.49 -0.07 0.00 0.56 0.00 0.00 36.38 35.23 1skr s VAL 332 CO 0.08 0.48 0.55 -0.69 -0.31 0.00 0.00 175.10 175.22 1skr s VAL 333 N 0.45 4.88 0.15 1.32 1.01 -1.26 -1.93 120.40 125.02 1skr s VAL 333 Ca -0.17 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1skr s VAL 333 Cb -0.17 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1skr s VAL 333 CO 0.07 0.13 1.82 0.33 0.00 0.00 0.00 175.10 177.45 1skr n PHE 334 N 0.46 2.67 -3.95 5.22 7.35 -1.26 -4.98 117.46 122.97 1skr n PHE 334 Ca -0.03 -0.12 -0.34 0.00 -0.76 0.00 0.00 57.45 56.20 1skr n PHE 334 Cb 0.52 -2.73 -0.14 0.00 0.35 0.00 0.00 39.48 37.48 1skr n PHE 334 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1skr s ASN 335 N 2.41 4.78 0.66 -2.13 3.84 -1.26 -4.85 114.94 118.39 1skr s ASN 335 Ca 0.80 -1.39 0.44 0.00 0.21 0.00 0.00 52.86 52.93 1skr s ASN 335 Cb -0.48 -1.67 2.38 0.00 -0.55 0.00 0.00 41.25 40.94 1skr s ASN 335 CO 0.36 -0.26 2.36 -0.65 -2.79 0.00 0.00 177.10 176.11 1skr h PRO 336 N 7.92 0.00 -0.16 0.43 0.11 -1.99 -0.35 132.00 137.95 1skr h PRO 336 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1skr h PRO 336 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1skr h PRO 336 CO 0.52 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.74 1skr n SER 337 N -3.08 1.13 -4.25 -2.05 7.64 -1.26 -4.72 113.62 107.04 1skr n SER 337 Ca -0.03 -1.79 -0.38 0.00 1.01 0.00 0.00 58.87 57.68 1skr n SER 337 Cb 0.08 -0.11 -0.11 0.00 -1.01 0.00 0.00 64.21 63.07 1skr n SER 337 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1skr s SER 338 N -1.30 5.43 0.52 6.43 0.15 -0.14 -4.93 113.70 119.84 1skr s SER 338 Ca 0.23 -1.42 0.19 0.00 0.70 0.00 0.00 55.95 55.65 1skr s SER 338 Cb 0.12 -1.91 1.29 0.00 -1.71 0.00 0.00 66.02 63.81 1skr s SER 338 CO 0.18 -0.44 2.08 0.03 1.20 0.00 0.00 173.24 176.29 1skr h ARG 339 N 8.27 0.04 0.13 5.44 2.47 -1.85 -1.39 114.38 127.48 1skr h ARG 339 Ca -0.22 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1skr h ARG 339 Cb 1.08 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1skr h ARG 339 CO 0.68 0.03 -0.06 0.22 0.56 0.00 0.00 179.97 181.39 1skr h ASP 340 N 0.04 -0.15 -0.44 7.04 -0.00 -1.93 -0.69 116.42 120.28 1skr h ASP 340 Ca 0.11 -0.27 0.04 0.00 -0.00 0.00 0.00 57.03 56.91 1skr h ASP 340 Cb 0.40 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 39.73 1skr h ASP 340 CO -0.01 0.20 0.21 0.45 -0.00 0.00 0.00 179.24 180.09 1skr h HIS 341 N -0.52 0.38 0.18 0.28 3.86 -1.69 -0.90 115.15 116.73 1skr h HIS 341 Ca -0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1skr h HIS 341 Cb 0.41 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1skr h HIS 341 CO 0.03 0.18 -0.31 0.82 0.86 0.00 0.00 177.93 179.52 1skr h ILE 342 N 0.42 0.34 -0.97 2.45 2.04 -1.24 -0.96 117.51 119.58 1skr h ILE 342 Ca 0.20 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.19 1skr h ILE 342 Cb 0.12 0.34 -0.08 0.00 -0.74 0.00 0.00 36.82 36.46 1skr h ILE 342 CO -0.15 0.00 0.62 -0.61 0.00 0.00 0.00 178.15 178.00 1skr h GLN 343 N -0.57 0.88 -0.15 2.37 -0.00 -0.80 -1.04 115.11 115.79 1skr h GLN 343 Ca 0.02 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.60 1skr h GLN 343 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.85 1skr h GLN 343 CO -0.14 0.58 0.05 -0.22 0.00 0.00 0.00 178.83 179.10 1skr h LYS 344 N 0.90 0.24 -0.18 1.69 3.64 -0.42 -2.63 116.57 119.81 1skr h LYS 344 Ca 0.49 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.65 1skr h LYS 344 Cb 0.57 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1skr h LYS 344 CO -0.26 0.35 -0.60 0.87 -2.27 0.00 0.00 179.45 177.55 1skr h LYS 345 N 0.08 0.60 -0.33 1.90 1.79 -0.69 -2.53 116.57 117.39 1skr h LYS 345 Ca 0.05 -0.40 -0.13 0.00 -2.18 0.00 0.00 60.65 57.99 1skr h LYS 345 Cb 0.21 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1skr h LYS 345 CO -0.00 1.02 -0.31 -0.07 -1.08 0.00 0.00 179.45 179.00 1skr h LEU 346 N 0.45 0.75 -0.58 2.94 3.38 -1.24 -2.80 115.31 118.20 1skr h LEU 346 Ca -0.00 -0.30 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1skr h LEU 346 Cb 1.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1skr h LEU 346 CO 0.11 1.00 -0.54 1.56 0.09 0.00 0.00 178.44 180.67 1skr h GLN 347 N 0.61 0.48 0.00 1.13 4.20 -1.50 -0.64 115.11 119.38 1skr h GLN 347 Ca 0.07 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1skr h GLN 347 Cb 0.83 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1skr h GLN 347 CO 0.07 0.89 0.00 0.39 -0.67 0.00 0.00 178.83 179.51 1skr n GLU 348 N -3.95 0.19 -0.08 1.46 1.02 -0.95 -1.12 120.64 117.21 1skr n GLU 348 Ca -0.03 0.15 0.03 0.00 -0.02 0.00 0.00 57.16 57.29 1skr n GLU 348 Cb 0.59 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.58 1skr n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1skr n ALA 349 N -1.22 2.12 0.00 0.62 0.00 -0.79 -4.97 120.51 116.26 1skr n ALA 349 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.28 1skr n ALA 349 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1skr n ALA 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1skr n GLY 350 N -0.25 1.02 3.71 0.00 0.00 -0.28 -4.34 105.19 105.06 1skr n GLY 350 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1skr n GLY 350 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1skr s TRP 351 N -2.00 3.67 -0.34 1.61 -0.00 -0.32 -4.95 118.94 116.61 1skr s TRP 351 Ca 0.00 1.63 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1skr s TRP 351 Cb 0.00 -3.05 0.09 0.00 -0.00 0.00 0.00 33.47 30.51 1skr s TRP 351 CO 0.00 0.04 0.06 0.08 -0.00 0.00 0.00 176.95 177.13 1skr s VAL 352 N 0.83 2.75 0.46 5.86 1.01 -1.26 -4.30 120.40 125.74 1skr s VAL 352 Ca 0.49 -1.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.31 1skr s VAL 352 Cb -0.21 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 1skr s VAL 352 CO 0.26 -0.43 1.01 -2.65 0.00 0.00 0.00 175.10 173.30 1skr n PRO 353 N 4.47 1.31 -0.00 2.72 -0.02 -1.26 -4.95 135.00 137.27 1skr n PRO 353 Ca -0.05 0.47 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 1skr n PRO 353 Cb 0.42 -2.09 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1skr n PRO 353 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1skr n THR 354 N -0.71 0.00 -3.82 3.45 -1.04 -1.26 -5.00 114.28 105.90 1skr n THR 354 Ca 0.10 -0.21 -0.16 0.00 -2.04 0.00 0.00 64.05 61.74 1skr n THR 354 Cb 0.41 0.44 -0.16 0.00 -1.82 0.00 0.00 70.33 69.20 1skr n THR 354 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1skr s LYS 355 N -2.42 0.08 0.39 -2.82 -2.85 -1.26 -5.11 119.74 105.74 1skr s LYS 355 Ca -0.02 0.16 0.08 0.00 -1.00 0.00 0.00 55.97 55.19 1skr s LYS 355 Cb 0.05 -0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 35.41 1skr s LYS 355 CO 0.34 -0.17 0.01 0.71 0.10 0.00 0.00 175.35 176.35 1skr s TYR 356 N 1.11 2.51 0.52 1.78 1.51 -1.26 -0.87 117.35 122.64 1skr s TYR 356 Ca -0.09 -0.60 0.09 0.00 -1.01 0.00 0.00 57.07 55.46 1skr s TYR 356 Cb -0.13 -1.70 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 1skr s TYR 356 CO -0.03 0.44 0.71 0.95 -1.11 0.00 0.00 175.55 176.51 1skr s THR 357 N -2.65 2.47 0.00 -0.71 -4.23 0.81 -4.79 115.64 106.53 1skr s THR 357 Ca 0.35 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1skr s THR 357 Cb 0.07 -2.47 -0.13 0.00 1.34 0.00 0.00 72.50 71.31 1skr s THR 357 CO 0.18 0.00 2.57 0.47 -0.54 0.00 0.00 174.62 177.31 1skr n ASP 358 N -2.09 4.67 0.00 3.99 8.00 -1.26 -1.98 116.55 127.88 1skr n ASP 358 Ca 0.13 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.32 1skr n ASP 358 Cb 0.61 -1.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1skr n ASP 358 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1skr n LYS 359 N 2.10 0.00 0.00 -1.24 4.81 -1.26 -5.01 118.16 117.56 1skr n LYS 359 Ca 0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1skr n LYS 359 Cb 0.64 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1skr n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1skr n GLY 360 N 0.00 2.72 3.73 3.14 0.00 -0.84 -5.02 105.19 108.92 1skr n GLY 360 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1skr n GLY 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr n ALA 361 N 0.00 2.11 -1.83 4.61 0.00 -1.26 -4.58 120.51 119.56 1skr n ALA 361 Ca 0.00 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 1skr n ALA 361 Cb 0.00 -2.40 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 1skr n ALA 361 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1skr s PRO 362 N -0.73 4.76 0.20 0.00 0.04 -1.26 -0.14 135.00 137.86 1skr s PRO 362 Ca 0.63 1.60 -0.31 0.00 0.04 0.00 0.00 61.00 62.96 1skr s PRO 362 Cb -0.53 -3.26 -0.10 0.00 0.04 0.00 0.00 34.50 30.64 1skr s PRO 362 CO 0.51 0.36 1.58 0.08 0.04 0.00 0.00 177.00 179.57 1skr s VAL 363 N -0.97 2.48 -0.44 -0.36 1.01 -0.05 -4.87 120.40 117.20 1skr s VAL 363 Ca 0.43 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.86 1skr s VAL 363 Cb -0.28 -3.23 0.31 0.00 0.00 0.00 0.00 36.38 33.19 1skr s VAL 363 CO 0.35 0.03 0.71 0.52 0.00 0.00 0.00 175.10 176.71 1skr n VAL 364 N 3.55 0.46 -3.46 2.92 0.31 -1.26 -4.90 118.33 115.95 1skr n VAL 364 Ca 0.13 -4.65 -0.21 0.00 -0.01 0.00 0.00 64.34 59.59 1skr n VAL 364 Cb 0.38 -1.10 -0.01 0.00 -0.91 0.00 0.00 33.84 32.21 1skr n VAL 364 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 1skr s ASP 365 N -2.26 5.07 0.38 4.52 1.47 -1.26 -4.91 116.67 119.69 1skr s ASP 365 Ca 0.40 -0.80 0.11 0.00 1.18 0.00 0.00 52.55 53.44 1skr s ASP 365 Cb 0.27 -0.29 0.89 0.00 -0.34 0.00 0.00 42.92 43.45 1skr s ASP 365 CO -0.09 -0.85 1.91 -0.78 0.68 0.00 0.00 175.17 176.04 1skr h ASP 366 N 0.80 0.55 -0.75 2.11 3.58 -1.98 -0.23 116.42 120.50 1skr h ASP 366 Ca -0.39 0.02 -0.05 0.00 0.42 0.00 0.00 57.03 57.03 1skr h ASP 366 Cb 1.28 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 42.21 1skr h ASP 366 CO 0.53 0.30 0.26 -0.08 -2.88 0.00 0.00 179.24 177.37 1skr h GLU 367 N 0.60 1.15 -0.03 0.28 4.81 -1.99 -0.16 114.58 119.25 1skr h GLU 367 Ca 0.39 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1skr h GLU 367 Cb 0.66 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1skr h GLU 367 CO -0.15 0.97 -0.17 0.28 -0.73 0.00 0.00 179.01 179.21 1skr h VAL 368 N 1.11 1.49 -0.74 0.32 2.07 -1.64 -3.17 116.25 115.69 1skr h VAL 368 Ca 0.24 -1.70 0.09 0.00 0.82 0.00 0.00 66.70 66.15 1skr h VAL 368 Cb 0.28 2.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.50 1skr h VAL 368 CO -0.01 0.47 0.40 -0.07 0.02 0.00 0.00 177.57 178.38 1skr h LEU 369 N -0.43 0.56 -2.17 2.57 3.38 -1.02 0.14 115.31 118.34 1skr h LEU 369 Ca -0.01 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1skr h LEU 369 Cb 0.85 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1skr h LEU 369 CO 0.04 0.33 0.19 -0.08 0.09 0.00 0.00 178.44 179.00 1skr h GLU 370 N 0.69 0.00 -0.01 1.13 4.57 -1.06 -2.12 114.58 117.78 1skr h GLU 370 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1skr h GLU 370 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1skr h GLU 370 CO -0.24 0.00 -0.41 0.41 -1.18 0.00 0.00 179.01 177.59 1skr n GLY 371 N -1.46 -0.09 3.77 1.92 0.00 0.42 -4.98 105.19 104.76 1skr n GLY 371 Ca 0.02 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1skr n GLY 371 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1skr s VAL 372 N -2.47 2.75 -0.04 1.61 1.01 -0.80 -5.04 120.40 117.41 1skr s VAL 372 Ca 0.20 0.68 -0.00 0.00 0.00 0.00 0.00 61.98 62.86 1skr s VAL 372 Cb 0.18 -3.40 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1skr s VAL 372 CO 0.55 0.11 0.01 -0.13 0.00 0.00 0.00 175.10 175.64 1skr s ARG 373 N -2.14 0.33 0.11 2.72 1.81 -1.26 -5.07 118.95 115.45 1skr s ARG 373 Ca 0.55 0.12 0.02 0.00 -1.72 0.00 0.00 55.73 54.70 1skr s ARG 373 Cb -0.37 -0.60 -0.04 0.00 -0.45 0.00 0.00 34.95 33.49 1skr s ARG 373 CO 0.48 -0.19 -0.05 0.14 -0.68 0.00 0.00 175.30 174.99 1skr s VAL 374 N 1.37 0.66 -0.01 3.52 -7.23 -1.26 -4.67 120.40 112.77 1skr s VAL 374 Ca -0.05 -1.94 -0.21 0.00 -1.81 0.00 0.00 61.98 57.97 1skr s VAL 374 Cb -0.13 -1.77 -0.12 0.00 0.56 0.00 0.00 36.38 34.92 1skr s VAL 374 CO -0.02 -0.79 0.87 0.44 -0.31 0.00 0.00 175.10 175.29 1skr h ASP 375 N 2.91 -0.57 -1.21 4.85 3.32 -1.95 -3.44 116.42 120.33 1skr h ASP 375 Ca -0.35 -0.02 -0.68 0.00 0.02 0.00 0.00 57.03 56.00 1skr h ASP 375 Cb 1.17 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.86 1skr h ASP 375 CO 0.64 -0.16 1.30 -0.67 -1.72 0.00 0.00 179.24 178.64 1skr n ASP 376 N -5.23 2.24 -0.21 6.45 -0.08 -1.26 -4.83 116.55 113.63 1skr n ASP 376 Ca -0.09 0.58 -0.02 0.00 -1.51 0.00 0.00 54.79 53.75 1skr n ASP 376 Cb 0.28 -1.24 0.09 0.00 2.34 0.00 0.00 41.12 42.59 1skr n ASP 376 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1skr h PRO 377 N 11.16 0.58 -0.65 -0.67 0.11 -2.00 -1.12 132.00 139.41 1skr h PRO 377 Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1skr h PRO 377 Cb 1.32 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1skr h PRO 377 CO 1.01 0.38 0.41 1.49 -0.21 0.00 0.00 178.00 181.08 1skr h GLU 378 N 0.60 0.87 -0.16 1.05 4.81 -1.98 -1.06 114.58 118.71 1skr h GLU 378 Ca 0.28 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.34 1skr h GLU 378 Cb 0.20 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1skr h GLU 378 CO -0.19 0.60 -0.37 0.87 -0.73 0.00 0.00 179.01 179.19 1skr h LYS 379 N 0.88 0.34 0.00 1.92 1.57 -1.85 -1.47 116.57 117.96 1skr h LYS 379 Ca 0.23 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1skr h LYS 379 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1skr h LYS 379 CO -0.05 0.66 -0.00 0.37 -0.57 0.00 0.00 179.45 179.86 1skr h GLN 380 N 0.29 -0.00 -0.15 3.15 5.75 -0.69 -2.63 115.11 120.82 1skr h GLN 380 Ca 0.03 0.00 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1skr h GLN 380 Cb 0.78 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1skr h GLN 380 CO 0.06 0.19 -0.08 0.00 -2.65 0.00 0.00 178.83 176.35 1skr h ALA 381 N 0.80 1.60 -0.06 3.38 0.00 -1.08 -1.78 119.26 122.11 1skr h ALA 381 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1skr h ALA 381 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1skr h ALA 381 CO 0.00 0.29 0.07 0.00 0.00 0.00 0.00 179.25 179.62 1skr h ALA 382 N 1.71 1.63 -0.62 0.00 0.00 -0.89 -1.10 119.26 119.99 1skr h ALA 382 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1skr h ALA 382 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1skr h ALA 382 CO 0.01 -0.11 0.19 0.82 0.00 0.00 0.00 179.25 180.17 1skr h ILE 383 N 0.00 1.23 -0.38 0.00 2.04 -1.21 -0.79 117.51 118.40 1skr h ILE 383 Ca 0.03 -0.80 -0.12 0.00 1.00 0.00 0.00 64.86 64.97 1skr h ILE 383 Cb 0.18 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1skr h ILE 383 CO -0.00 0.31 -0.25 0.44 0.00 0.00 0.00 178.15 178.65 1skr h ASP 384 N 0.90 0.80 -0.73 1.72 3.32 -1.34 -1.44 116.42 119.65 1skr h ASP 384 Ca 0.20 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 1skr h ASP 384 Cb 0.26 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1skr h ASP 384 CO -0.01 1.01 0.31 -0.07 -1.72 0.00 0.00 179.24 178.76 1skr h LEU 385 N 0.67 1.00 -0.43 1.55 3.38 -1.33 -0.24 115.31 119.91 1skr h LEU 385 Ca 0.09 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1skr h LEU 385 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1skr h LEU 385 CO 0.06 0.88 0.07 0.40 0.09 0.00 0.00 178.44 179.94 1skr h ILE 386 N 1.07 1.24 -0.66 1.22 2.04 -0.78 0.88 117.51 122.53 1skr h ILE 386 Ca 0.25 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1skr h ILE 386 Cb 0.18 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1skr h ILE 386 CO -0.02 0.31 0.24 0.11 0.00 0.00 0.00 178.15 178.79 1skr h LYS 387 N 0.57 1.00 -0.67 2.37 1.57 -0.87 -1.29 116.57 119.24 1skr h LYS 387 Ca 0.13 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1skr h LYS 387 Cb 0.38 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1skr h LYS 387 CO 0.01 0.85 0.17 1.49 -0.57 0.00 0.00 179.45 181.40 1skr h GLU 388 N 0.94 1.07 -0.06 3.15 4.81 -0.80 -2.39 114.58 121.30 1skr h GLU 388 Ca 0.22 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1skr h GLU 388 Cb 0.24 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1skr h GLU 388 CO -0.01 0.95 0.04 -0.92 -0.73 0.00 0.00 179.01 178.34 1skr h TYR 389 N 1.00 0.08 -0.86 0.92 5.03 -0.41 0.07 116.97 122.81 1skr h TYR 389 Ca 0.21 0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.58 1skr h TYR 389 Cb 0.35 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 38.55 1skr h TYR 389 CO 0.03 0.09 0.54 -0.07 -1.32 0.00 0.00 178.16 177.42 1skr h LEU 390 N 0.05 0.86 -0.24 2.82 3.38 -1.15 -0.16 115.31 120.87 1skr h LEU 390 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1skr h LEU 390 Cb 0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1skr h LEU 390 CO -0.00 0.56 0.01 -0.03 0.09 0.00 0.00 178.44 179.06 1skr h MET 391 N 0.99 0.42 -0.77 1.13 4.05 -1.11 -1.25 114.93 118.39 1skr h MET 391 Ca 0.37 -0.13 0.06 0.00 -0.28 0.00 0.00 59.70 59.71 1skr h MET 391 Cb 0.13 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.84 1skr h MET 391 CO -0.16 0.58 0.46 0.82 0.23 0.00 0.00 176.91 178.85 1skr h ILE 392 N 0.20 1.03 -0.17 1.77 1.08 -0.46 -0.60 117.51 120.36 1skr h ILE 392 Ca 0.07 -0.29 -0.07 0.00 -0.39 0.00 0.00 64.86 64.17 1skr h ILE 392 Cb 0.39 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1skr h ILE 392 CO 0.01 0.16 -0.22 -0.61 -0.69 0.00 0.00 178.15 176.80 1skr h GLN 393 N 0.86 0.29 -0.92 2.37 5.75 -0.86 -0.84 115.11 121.76 1skr h GLN 393 Ca 0.33 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1skr h GLN 393 Cb 0.15 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 1skr h GLN 393 CO -0.16 0.50 0.52 -0.22 -2.65 0.00 0.00 178.83 176.81 1skr h LYS 394 N 0.27 1.27 0.02 1.69 1.63 0.10 0.84 116.57 122.39 1skr h LYS 394 Ca 0.05 -0.14 -0.25 0.00 -0.85 0.00 0.00 60.65 59.46 1skr h LYS 394 Cb 0.54 -0.25 0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1skr h LYS 394 CO 0.04 0.92 -1.02 0.00 -3.45 0.00 0.00 179.45 175.93 1skr h ARG 395 N 1.28 0.53 -0.44 1.90 2.47 -0.87 -2.73 114.38 116.51 1skr h ARG 395 Ca 0.32 -0.59 -0.13 0.00 -1.26 0.00 0.00 59.98 58.33 1skr h ARG 395 Cb 0.01 0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1skr h ARG 395 CO -0.05 1.22 -0.23 0.82 0.56 0.00 0.00 179.97 182.28 1skr h ILE 396 N 0.29 1.27 -0.15 2.04 2.04 -0.93 -0.89 117.51 121.17 1skr h ILE 396 Ca -0.11 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1skr h ILE 396 Cb 1.67 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1skr h ILE 396 CO 0.19 0.47 0.05 1.23 0.00 0.00 0.00 178.15 180.08 1skr h GLY 397 N 0.92 0.25 1.29 5.37 0.00 -0.86 0.14 103.07 110.17 1skr h GLY 397 Ca 0.10 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.11 1skr h GLY 397 CO 0.06 0.14 -0.57 -1.61 0.00 0.00 0.00 176.54 174.56 1skr h GLN 398 N 0.06 0.74 0.04 4.80 4.15 -1.46 0.23 115.11 123.67 1skr h GLN 398 Ca 0.05 -0.48 -0.27 0.00 0.77 0.00 0.00 58.65 58.72 1skr h GLN 398 Cb 0.22 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1skr h GLN 398 CO -0.00 1.10 -1.42 0.66 -1.93 0.00 0.00 178.83 177.24 1skr h SER 399 N 0.56 0.14 0.00 -0.69 4.64 -1.17 -2.63 113.55 114.40 1skr h SER 399 Ca 0.01 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1skr h SER 399 Cb 1.16 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1skr h SER 399 CO 0.12 1.17 0.00 0.00 -0.87 0.00 0.00 176.83 177.25 1skr n ALA 400 N -2.53 1.86 -0.03 5.18 0.00 0.25 -2.37 120.51 122.86 1skr n ALA 400 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1skr n ALA 400 Cb 1.01 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.33 1skr n ALA 400 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1skr n GLU 401 N -1.44 0.65 -0.73 0.00 1.02 0.13 -4.73 120.64 115.54 1skr n GLU 401 Ca 0.00 0.15 -0.31 0.00 -0.02 0.00 0.00 57.16 56.98 1skr n GLU 401 Cb 0.00 -1.70 0.17 0.00 -0.02 0.00 0.00 31.44 29.89 1skr n GLU 401 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1skr s GLY 402 N -5.10 1.68 0.48 0.62 0.00 0.07 -4.88 107.32 100.18 1skr s GLY 402 Ca -0.06 0.51 0.13 0.00 0.00 0.00 0.00 44.72 45.30 1skr s GLY 402 CO 0.83 0.94 2.11 -0.55 0.00 0.00 0.00 173.10 176.43 1skr h ASP 403 N -1.87 0.16 -0.58 1.64 3.32 -1.93 -2.10 116.42 115.06 1skr h ASP 403 Ca -0.45 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1skr h ASP 403 Cb 1.27 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1skr h ASP 403 CO 0.43 0.12 0.00 0.29 -1.72 0.00 0.00 179.24 178.36 1skr n LYS 404 N -4.51 4.27 -1.72 3.56 4.76 -1.26 -4.97 118.16 118.29 1skr n LYS 404 Ca -0.01 -3.02 -0.38 0.00 -2.87 0.00 0.00 58.31 52.03 1skr n LYS 404 Cb 0.09 -2.07 0.06 0.00 -1.84 0.00 0.00 35.03 31.26 1skr n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1skr n ALA 405 N 0.72 1.18 -0.16 7.82 0.00 -0.79 -4.55 120.51 124.73 1skr n ALA 405 Ca 0.26 0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 1skr n ALA 405 Cb 1.05 -2.31 0.06 0.00 0.00 0.00 0.00 19.45 18.25 1skr n ALA 405 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1skr h TRP 406 N 0.90 0.32 0.00 0.00 6.55 -1.42 -1.48 115.95 120.82 1skr h TRP 406 Ca -0.50 0.02 -0.00 0.00 0.95 0.00 0.00 58.89 59.36 1skr h TRP 406 Cb 1.33 -0.07 -0.00 0.00 -0.86 0.00 0.00 29.16 29.56 1skr h TRP 406 CO 0.42 0.11 -0.01 -0.07 -1.05 0.00 0.00 178.44 177.84 1skr h LEU 407 N 0.36 0.00 0.00 -4.49 3.38 -1.78 -0.26 115.31 112.52 1skr h LEU 407 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1skr h LEU 407 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1skr h LEU 407 CO -0.24 0.01 -0.79 0.03 0.09 0.00 0.00 178.44 177.54 1skr h ARG 408 N 0.00 0.00 0.00 1.13 3.08 -1.57 -3.37 114.38 113.65 1skr h ARG 408 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1skr h ARG 408 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1skr h ARG 408 CO 0.00 0.00 -1.19 0.66 -1.07 0.00 0.00 179.97 178.37 1skr n TYR 409 N -2.57 0.00 -1.72 3.04 4.01 -0.19 -4.98 117.16 114.75 1skr n TYR 409 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.33 1skr n TYR 409 Cb 0.52 -0.13 -0.02 0.00 -0.31 0.00 0.00 39.34 39.39 1skr n TYR 409 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1skr n VAL 410 N -1.67 0.89 -2.61 -0.72 0.31 -0.73 -4.59 118.33 109.21 1skr n VAL 410 Ca 0.01 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.89 1skr n VAL 410 Cb 0.36 -1.83 0.09 0.00 -0.91 0.00 0.00 33.84 31.56 1skr n VAL 410 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1skr s ALA 411 N 0.10 3.78 0.44 3.52 0.00 -0.27 -4.93 121.76 124.38 1skr s ALA 411 Ca 0.66 -1.66 0.09 0.00 0.00 0.00 0.00 51.96 51.06 1skr s ALA 411 Cb -0.54 -2.01 0.96 0.00 0.00 0.00 0.00 23.12 21.53 1skr s ALA 411 CO 0.47 -1.29 2.08 0.93 0.00 0.00 0.00 175.76 177.95 1skr h GLU 412 N -0.38 0.41 -0.10 0.00 4.39 -1.94 -1.43 114.58 115.54 1skr h GLU 412 Ca -0.37 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1skr h GLU 412 Cb 1.27 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1skr h GLU 412 CO 0.43 0.27 0.00 -0.40 -1.16 0.00 0.00 179.01 178.15 1skr n ASP 413 N -4.49 0.10 -1.00 1.42 5.68 -1.26 -4.85 116.55 112.14 1skr n ASP 413 Ca 0.02 -1.77 -0.11 0.00 -0.50 0.00 0.00 54.79 52.43 1skr n ASP 413 Cb 0.08 -0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 39.98 1skr n ASP 413 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1skr n GLY 414 N 0.35 0.64 3.14 6.12 0.00 -0.54 -5.00 105.19 109.91 1skr n GLY 414 Ca 0.00 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 1skr n GLY 414 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1skr s LYS 415 N -3.62 0.74 -0.27 1.61 1.02 -1.26 -1.64 119.74 116.32 1skr s LYS 415 Ca 0.00 -1.02 -0.11 0.00 0.02 0.00 0.00 55.97 54.86 1skr s LYS 415 Cb 0.00 -0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 1skr s LYS 415 CO 0.00 0.07 0.19 0.42 -0.92 0.00 0.00 175.35 175.12 1skr s ILE 416 N -2.07 5.32 -1.08 2.17 1.01 -0.62 -1.12 121.20 124.82 1skr s ILE 416 Ca 0.00 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1skr s ILE 416 Cb -0.05 -3.53 0.31 0.00 0.01 0.00 0.00 42.46 39.19 1skr s ILE 416 CO -0.00 0.28 1.56 1.41 0.00 0.00 0.00 174.94 178.18 1skr n HIS 417 N 4.82 2.32 -1.64 3.97 8.25 -1.26 -0.58 115.22 131.10 1skr n HIS 417 Ca -0.14 -2.57 -0.41 0.00 -0.26 0.00 0.00 57.72 54.35 1skr n HIS 417 Cb 0.52 -1.26 0.02 0.00 1.12 0.00 0.00 29.99 30.39 1skr n HIS 417 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1skr n GLY 418 N 1.10 0.05 3.88 -1.41 0.00 -1.26 -4.87 105.19 102.68 1skr n GLY 418 Ca 0.30 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 46.15 1skr n GLY 418 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1skr s SER 419 N -0.72 6.57 -0.06 1.61 0.15 0.34 -4.69 113.70 116.90 1skr s SER 419 Ca 0.64 1.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.32 1skr s SER 419 Cb -0.53 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.53 1skr s SER 419 CO 0.56 -0.28 0.11 -0.69 1.20 0.00 0.00 173.24 174.14 1skr s VAL 420 N -2.17 -0.15 -0.55 4.45 1.01 -1.26 -2.15 120.40 119.57 1skr s VAL 420 Ca 0.50 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 1skr s VAL 420 Cb -0.10 -0.21 0.08 0.00 0.00 0.00 0.00 36.38 36.15 1skr s VAL 420 CO 0.27 0.14 0.66 0.21 0.00 0.00 0.00 175.10 176.38 1skr s ASN 421 N 1.91 6.20 0.55 3.32 3.84 -0.46 -4.93 114.94 125.37 1skr s ASN 421 Ca 0.00 -1.18 0.33 0.00 0.21 0.00 0.00 52.86 52.22 1skr s ASN 421 Cb -0.12 -2.29 1.49 0.00 -0.55 0.00 0.00 41.25 39.78 1skr s ASN 421 CO -0.05 -1.00 1.83 -0.65 -2.79 0.00 0.00 177.10 174.45 1skr h PRO 422 N 9.09 0.00 -0.22 0.43 0.11 -1.92 -0.45 132.00 139.05 1skr h PRO 422 Ca -0.28 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.61 1skr h PRO 422 Cb 1.09 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.87 1skr h PRO 422 CO 1.03 0.00 -0.94 -1.71 -0.21 0.00 0.00 178.00 176.18 1skr n ASN 423 N -4.11 1.79 0.23 -2.05 5.15 -1.26 -3.78 115.26 111.22 1skr n ASN 423 Ca 0.20 -2.58 0.16 0.00 -0.60 0.00 0.00 54.58 51.77 1skr n ASN 423 Cb 1.06 -0.40 0.74 0.00 -0.53 0.00 0.00 39.78 40.65 1skr n ASN 423 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1skr h GLY 424 N 1.60 0.00 -4.96 8.20 0.00 -1.41 -3.44 103.07 103.06 1skr h GLY 424 Ca -0.09 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.61 1skr h GLY 424 CO 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 176.54 176.20 1skr s ALA 425 N -3.66 3.87 0.41 3.60 0.00 -0.68 -4.84 121.76 120.47 1skr s ALA 425 Ca -0.00 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.23 1skr s ALA 425 Cb 0.09 -1.75 0.94 0.00 0.00 0.00 0.00 23.12 22.41 1skr s ALA 425 CO 0.41 0.78 1.97 -0.39 0.00 0.00 0.00 175.76 178.52 1skr h VAL 426 N 2.52 0.92 0.00 0.00 -1.51 -1.86 -1.68 116.25 114.65 1skr h VAL 426 Ca -0.47 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.82 1skr h VAL 426 Cb 1.17 0.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 1skr h VAL 426 CO 0.71 0.09 0.00 0.35 -1.23 0.00 0.00 177.57 177.49 1skr n THR 427 N -4.48 0.68 0.00 7.19 -2.24 -1.26 -4.51 114.28 109.66 1skr n THR 427 Ca 0.11 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.05 1skr n THR 427 Cb 0.34 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 1skr n THR 427 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1skr n GLY 428 N 0.48 0.57 3.80 3.38 0.00 -0.63 -4.01 105.19 108.77 1skr n GLY 428 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1skr n GLY 428 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1skr s ARG 429 N -0.78 1.81 0.43 1.61 0.52 -1.25 -4.72 118.95 116.55 1skr s ARG 429 Ca 0.00 0.55 0.04 0.00 -0.52 0.00 0.00 55.73 55.80 1skr s ARG 429 Cb 0.00 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.58 1skr s ARG 429 CO 0.00 -1.79 0.61 0.00 0.02 0.00 0.00 175.30 174.13 1skr s ALA 430 N -3.19 4.11 0.23 2.13 0.00 -1.25 -1.68 121.76 122.12 1skr s ALA 430 Ca 0.62 -1.38 0.11 0.00 0.00 0.00 0.00 51.96 51.31 1skr s ALA 430 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 1skr s ALA 430 CO 0.54 -0.32 -0.21 0.95 0.00 0.00 0.00 175.76 176.71 1skr s THR 431 N -2.43 2.33 -0.01 0.00 -4.23 -0.22 -4.59 115.64 106.49 1skr s THR 431 Ca 0.51 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.86 1skr s THR 431 Cb -0.10 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 1skr s THR 431 CO 0.35 -0.27 -0.07 -1.00 -0.54 0.00 0.00 174.62 173.09 1skr s HIS 432 N -2.09 0.69 0.13 3.99 3.76 -1.26 -1.35 115.29 119.14 1skr s HIS 432 Ca 0.24 -0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 54.77 1skr s HIS 432 Cb -0.06 -0.45 0.07 0.00 1.11 0.00 0.00 32.58 33.25 1skr s HIS 432 CO 0.11 -0.02 0.76 0.00 -0.85 0.00 0.00 174.74 174.74 1skr s ALA 433 N -0.11 -1.61 -0.78 -1.40 0.00 -0.91 -4.41 121.76 112.53 1skr s ALA 433 Ca 0.02 0.46 -0.02 0.00 0.00 0.00 0.00 51.96 52.42 1skr s ALA 433 Cb -0.04 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.76 1skr s ALA 433 CO -0.00 -0.83 0.67 1.19 0.00 0.00 0.00 175.76 176.78 1skr n PHE 434 N -0.37 -1.60 -2.61 0.00 3.72 -1.26 -0.51 117.46 114.84 1skr n PHE 434 Ca -0.11 0.63 -0.23 0.00 -0.05 0.00 0.00 57.45 57.69 1skr n PHE 434 Cb 0.62 -3.91 0.10 0.00 -0.94 0.00 0.00 39.48 35.35 1skr n PHE 434 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1skr s PRO 435 N -4.51 1.82 -0.78 -1.08 0.04 -1.26 -4.07 135.00 125.15 1skr s PRO 435 Ca 0.14 -1.09 -0.24 0.00 0.04 0.00 0.00 61.00 59.85 1skr s PRO 435 Cb -0.02 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 32.22 1skr s PRO 435 CO 0.51 -1.33 1.17 1.21 0.04 0.00 0.00 177.00 178.60 1skr s ASN 436 N -4.69 6.28 0.00 6.66 3.84 -1.26 -4.44 114.94 121.33 1skr s ASN 436 Ca 0.65 -1.02 0.14 0.00 0.21 0.00 0.00 52.86 52.83 1skr s ASN 436 Cb -0.06 -2.49 0.70 0.00 -0.55 0.00 0.00 41.25 38.85 1skr s ASN 436 CO 0.43 -1.54 1.37 0.18 -2.79 0.00 0.00 177.10 174.76 1skr n LEU 437 N 8.31 0.00 -1.51 3.21 4.77 -1.26 -2.17 117.00 128.35 1skr n LEU 437 Ca 0.08 0.29 0.06 0.00 -0.03 0.00 0.00 56.01 56.41 1skr n LEU 437 Cb 0.48 -0.29 0.31 0.00 -2.33 0.00 0.00 43.42 41.59 1skr n LEU 437 CO 0.65 -0.16 0.75 0.00 -1.33 0.00 0.00 177.39 177.30 1skr n ALA 438 N -1.29 3.35 -2.21 -1.18 0.00 -1.26 -4.16 120.51 113.76 1skr n ALA 438 Ca 0.07 -1.43 0.04 0.00 0.00 0.00 0.00 53.44 52.11 1skr n ALA 438 Cb 0.11 -1.07 0.04 0.00 0.00 0.00 0.00 19.45 18.53 1skr n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1skr n GLN 439 N 0.67 0.24 -2.25 0.00 10.64 -0.92 -5.08 117.38 120.68 1skr n GLN 439 Ca 0.22 -1.94 -0.41 0.00 -1.83 0.00 0.00 57.00 53.03 1skr n GLN 439 Cb 0.90 -0.38 -0.03 0.00 -0.86 0.00 0.00 30.24 29.88 1skr n GLN 439 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1skr s ILE 440 N -0.51 3.20 0.36 -0.39 -1.09 -1.26 -4.94 121.20 116.57 1skr s ILE 440 Ca 0.26 1.05 -0.26 0.00 -2.23 0.00 0.00 60.65 59.48 1skr s ILE 440 Cb 0.29 -3.67 -0.12 0.00 -1.58 0.00 0.00 42.46 37.37 1skr s ILE 440 CO -0.11 0.19 0.96 -2.65 -1.23 0.00 0.00 174.94 172.10 1skr n PRO 441 N 2.11 1.27 -2.36 2.79 -0.02 -1.26 -4.93 135.00 132.60 1skr n PRO 441 Ca 0.04 0.45 -0.37 0.00 -2.02 0.00 0.00 63.50 61.60 1skr n PRO 441 Cb 0.43 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.00 1skr n PRO 441 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1skr s GLY 442 N -0.67 2.75 0.62 -1.23 0.00 -1.26 -4.60 107.32 102.93 1skr s GLY 442 Ca 0.61 0.85 0.30 0.00 0.00 0.00 0.00 44.72 46.47 1skr s GLY 442 CO 0.59 1.29 1.97 -0.39 0.00 0.00 0.00 173.10 176.56 1skr h VAL 443 N 1.96 0.24 -0.02 1.40 -1.51 -1.92 0.50 116.25 116.90 1skr h VAL 443 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1skr h VAL 443 Cb 1.24 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1skr h VAL 443 CO 0.61 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 177.49 1skr n ARG 444 N -3.41 1.66 -3.79 5.19 1.74 -1.26 -3.72 116.66 113.07 1skr n ARG 444 Ca 0.03 -0.96 -0.25 0.00 -0.77 0.00 0.00 57.85 55.90 1skr n ARG 444 Cb 0.46 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1skr n ARG 444 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1skr s SER 445 N -1.98 6.34 -0.03 0.55 1.04 0.17 -4.98 113.70 114.80 1skr s SER 445 Ca 0.38 0.26 -0.37 0.00 0.48 0.00 0.00 55.95 56.69 1skr s SER 445 Cb 0.21 -1.95 -0.16 0.00 0.10 0.00 0.00 66.02 64.23 1skr s SER 445 CO 0.33 -0.07 1.55 -2.65 0.98 0.00 0.00 173.24 173.38 1skr n PRO 446 N -1.03 1.38 -0.96 4.02 -0.02 -1.26 0.15 135.00 137.28 1skr n PRO 446 Ca -0.07 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1skr n PRO 446 Cb 0.55 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1skr n PRO 446 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1skr n TYR 447 N 3.90 0.00 0.15 6.00 4.01 -1.26 -4.87 117.16 125.09 1skr n TYR 447 Ca 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.96 1skr n TYR 447 Cb 0.19 -1.13 0.34 0.00 -0.31 0.00 0.00 39.34 38.43 1skr n TYR 447 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1skr h GLY 448 N 0.00 0.11 0.89 2.72 0.00 -0.47 -2.27 103.07 104.05 1skr h GLY 448 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1skr h GLY 448 CO 0.00 0.08 -0.02 -2.09 0.00 0.00 0.00 176.54 174.51 1skr h GLU 449 N 0.09 -0.05 -0.41 4.80 4.57 -1.76 0.10 114.58 121.92 1skr h GLU 449 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1skr h GLU 449 Cb 0.63 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 1skr h GLU 449 CO 0.05 0.08 0.12 1.96 -1.18 0.00 0.00 179.01 180.04 1skr h GLN 450 N -0.16 0.64 0.47 1.92 7.50 -1.91 -0.15 115.11 123.43 1skr h GLN 450 Ca -0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 58.98 1skr h GLN 450 Cb 0.15 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.59 1skr h GLN 450 CO 0.01 0.64 -0.25 0.00 -1.50 0.00 0.00 178.83 177.73 1skr h ARG 452 N -0.67 0.53 0.00 0.00 9.65 -0.94 -2.32 114.38 120.64 1skr h ARG 452 Ca -0.06 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1skr h ARG 452 Cb 0.52 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1skr h ARG 452 CO 0.09 0.35 -0.07 0.00 2.80 0.00 0.00 179.97 183.14 1skr h ALA 453 N 1.29 1.32 0.00 2.80 0.00 -0.91 -2.09 119.26 121.67 1skr h ALA 453 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1skr h ALA 453 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1skr h ALA 453 CO -0.16 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1skr h ALA 454 N 1.93 1.00 -2.48 0.00 0.00 -0.91 -3.39 119.26 115.41 1skr h ALA 454 Ca -0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 1skr h ALA 454 Cb 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.74 1skr h ALA 454 CO 0.01 0.00 -0.36 -0.06 0.00 0.00 0.00 179.25 178.84 1skr s PHE 455 N -3.39 3.31 -0.14 0.00 0.40 -0.79 -0.42 117.98 116.95 1skr s PHE 455 Ca 0.04 -1.39 -0.29 0.00 -0.60 0.00 0.00 56.93 54.69 1skr s PHE 455 Cb 0.09 -3.30 0.10 0.00 0.51 0.00 0.00 43.02 40.42 1skr s PHE 455 CO 0.47 -0.90 0.86 0.20 0.70 0.00 0.00 175.22 176.55 1skr s GLY 456 N 2.67 -0.39 0.47 4.36 0.00 -0.82 -0.42 107.32 113.19 1skr s GLY 456 Ca 0.04 1.84 0.14 0.00 0.00 0.00 0.00 44.72 46.74 1skr s GLY 456 CO 0.03 1.16 2.06 0.00 0.00 0.00 0.00 173.10 176.35 1skr h ALA 457 N 3.13 2.00 -0.23 3.20 0.00 -1.76 -1.54 119.26 124.08 1skr h ALA 457 Ca -0.24 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1skr h ALA 457 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1skr h ALA 457 CO 0.29 -0.07 0.26 1.05 0.00 0.00 0.00 179.25 180.79 1skr h GLU 458 N 0.25 0.00 -0.01 0.00 4.11 -1.16 0.12 114.58 117.90 1skr h GLU 458 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 1skr h GLU 458 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1skr h GLU 458 CO -0.03 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.77 1skr n HIS 459 N -3.73 0.00 -4.29 2.06 8.25 -0.58 -4.53 115.22 112.40 1skr n HIS 459 Ca 0.03 -0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 1skr n HIS 459 Cb 0.39 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 1skr n HIS 459 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1skr s HIS 460 N -2.00 2.97 -0.18 4.41 5.65 0.43 -4.79 115.29 121.79 1skr s HIS 460 Ca 0.45 -0.54 -0.09 0.00 0.25 0.00 0.00 55.06 55.13 1skr s HIS 460 Cb 0.21 -2.00 -0.05 0.00 -1.18 0.00 0.00 32.58 29.57 1skr s HIS 460 CO 0.36 -0.23 0.13 -0.51 -0.65 0.00 0.00 174.74 173.83 1skr s LEU 461 N 0.75 4.22 0.27 8.88 1.43 -1.26 -1.74 118.68 131.23 1skr s LEU 461 Ca -0.02 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.06 1skr s LEU 461 Cb -0.15 -2.07 -0.13 0.00 0.03 0.00 0.00 46.19 43.87 1skr s LEU 461 CO 0.02 0.24 1.32 -0.67 0.23 0.00 0.00 176.35 177.49 1skr n ASP 462 N 3.09 2.54 0.32 2.29 2.03 0.81 -4.79 116.55 122.85 1skr n ASP 462 Ca -0.17 1.17 0.21 0.00 0.52 0.00 0.00 54.79 56.51 1skr n ASP 462 Cb 0.53 -1.42 1.09 0.00 -0.72 0.00 0.00 41.12 40.60 1skr n ASP 462 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1skr h GLY 463 N 3.42 0.00 0.00 0.27 0.00 -1.91 0.07 103.07 104.93 1skr h GLY 463 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1skr h GLY 463 CO 0.70 0.00 -0.94 1.39 0.00 0.00 0.00 176.54 177.69 1skr n ILE 464 N -3.17 1.46 0.37 2.60 2.08 -1.26 -4.73 119.36 116.71 1skr n ILE 464 Ca -0.02 0.15 0.12 0.00 0.56 0.00 0.00 62.75 63.56 1skr n ILE 464 Cb 0.12 -2.24 0.21 0.00 -0.75 0.00 0.00 39.64 36.98 1skr n ILE 464 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1skr h THR 465 N -0.88 0.00 0.00 1.39 1.35 -1.97 -3.47 112.91 109.34 1skr h THR 465 Ca -0.03 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1skr h THR 465 Cb 0.90 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1skr h THR 465 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 1skr n GLY 466 N 1.21 0.65 3.81 5.82 0.00 0.01 -4.92 105.19 111.77 1skr n GLY 466 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1skr n GLY 466 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1skr s LYS 467 N -0.33 4.28 0.59 1.61 -0.14 -1.26 -4.31 119.74 120.18 1skr s LYS 467 Ca 0.00 1.04 -0.20 0.00 -1.36 0.00 0.00 55.97 55.45 1skr s LYS 467 Cb 0.00 -2.52 -0.03 0.00 -1.68 0.00 0.00 37.83 33.60 1skr s LYS 467 CO 0.00 0.16 1.28 -2.14 -0.76 0.00 0.00 175.35 173.89 1skr s PRO 468 N -2.63 2.92 0.59 -1.68 0.02 -1.26 -0.14 135.00 132.82 1skr s PRO 468 Ca 0.54 2.02 -0.03 0.00 0.02 0.00 0.00 61.00 63.55 1skr s PRO 468 Cb -0.13 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.40 1skr s PRO 468 CO 0.18 -1.30 0.86 -1.58 -0.33 0.00 0.00 177.00 174.83 1skr s TRP 469 N -1.44 3.03 0.17 6.54 0.52 -0.71 -4.83 118.94 122.23 1skr s TRP 469 Ca 0.77 0.32 0.08 0.00 0.02 0.00 0.00 56.10 57.28 1skr s TRP 469 Cb -0.36 -2.81 -0.04 0.00 -1.15 0.00 0.00 33.47 29.12 1skr s TRP 469 CO 0.40 -0.93 -0.02 0.08 0.02 0.00 0.00 176.95 176.49 1skr s VAL 470 N -2.93 3.60 -0.07 4.03 1.01 0.13 -2.94 120.40 123.23 1skr s VAL 470 Ca 0.56 -1.47 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1skr s VAL 470 Cb -0.10 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1skr s VAL 470 CO 0.42 -0.11 -0.10 -1.58 0.00 0.00 0.00 175.10 173.73 1skr s GLN 471 N -2.90 2.78 -0.16 2.72 0.74 0.87 0.18 119.66 123.89 1skr s GLN 471 Ca 0.27 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 55.07 1skr s GLN 471 Cb -0.09 -2.53 0.02 0.00 1.10 0.00 0.00 33.01 31.50 1skr s GLN 471 CO 0.18 0.57 -0.20 0.00 -0.55 0.00 0.00 175.29 175.29 1skr s ALA 472 N -0.57 2.20 -0.13 1.58 0.00 0.08 -1.11 121.76 123.80 1skr s ALA 472 Ca 0.08 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 50.96 1skr s ALA 472 Cb -0.12 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.93 1skr s ALA 472 CO 0.02 -0.22 -0.18 0.20 0.00 0.00 0.00 175.76 175.58 1skr s GLY 473 N 1.12 1.44 -0.03 0.00 0.00 0.13 -0.45 107.32 109.53 1skr s GLY 473 Ca -0.00 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 43.75 1skr s GLY 473 CO -0.08 -0.11 -0.14 -0.42 0.00 0.00 0.00 173.10 172.35 1skr s ILE 474 N 0.60 1.18 -0.04 0.90 1.09 -0.69 0.41 121.20 124.65 1skr s ILE 474 Ca -0.10 -0.58 0.01 0.00 -1.10 0.00 0.00 60.65 58.88 1skr s ILE 474 Cb -0.16 -1.02 0.02 0.00 -1.06 0.00 0.00 42.46 40.23 1skr s ILE 474 CO 0.03 0.35 -0.05 -0.62 -0.10 0.00 0.00 174.94 174.55 1skr s ASP 475 N 0.07 0.96 0.20 3.58 -1.08 -0.20 -1.50 116.67 118.70 1skr s ASP 475 Ca -0.03 -0.14 -0.31 0.00 -0.52 0.00 0.00 52.55 51.55 1skr s ASP 475 Cb -0.10 -0.44 -0.10 0.00 -1.46 0.00 0.00 42.92 40.81 1skr s ASP 475 CO 0.01 -0.04 1.55 0.00 0.52 0.00 0.00 175.17 177.22 1skr s ALA 476 N 0.80 3.75 0.01 3.66 0.00 -0.47 -1.08 121.76 128.42 1skr s ALA 476 Ca -0.11 1.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1skr s ALA 476 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1skr s ALA 476 CO 0.01 -0.81 0.95 -1.12 0.00 0.00 0.00 175.76 174.79 1skr s SER 477 N 0.88 7.35 -1.63 0.00 0.01 -0.66 -4.04 113.70 115.61 1skr s SER 477 Ca 0.67 1.64 -0.18 0.00 1.31 0.00 0.00 55.95 59.39 1skr s SER 477 Cb -0.44 -2.56 0.18 0.00 0.21 0.00 0.00 66.02 63.40 1skr s SER 477 CO 0.36 -0.22 0.44 0.61 0.41 0.00 0.00 173.24 174.84 1skr n GLY 478 N 2.82 -0.31 0.00 3.44 0.00 -1.26 -4.70 105.19 105.18 1skr n GLY 478 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1skr n GLY 478 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1skr n LEU 479 N -3.75 0.00 0.24 0.99 7.94 -1.26 -1.48 117.00 119.68 1skr n LEU 479 Ca 0.04 0.93 0.16 0.00 -1.11 0.00 0.00 56.01 56.03 1skr n LEU 479 Cb 0.44 -0.45 0.72 0.00 0.53 0.00 0.00 43.42 44.66 1skr n LEU 479 CO 0.84 -0.45 0.97 -0.33 -1.11 0.00 0.00 177.39 177.32 1skr h GLU 480 N 0.00 0.00 0.00 1.96 5.08 -1.89 -1.66 114.58 118.07 1skr h GLU 480 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1skr h GLU 480 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1skr h GLU 480 CO 0.00 0.00 -1.02 -0.07 -1.00 0.00 0.00 179.01 176.92 1skr h LEU 481 N 0.00 0.00 -0.73 1.33 3.38 -1.76 -2.39 115.31 115.14 1skr h LEU 481 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1skr h LEU 481 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1skr h LEU 481 CO 0.00 0.99 -0.61 0.03 0.09 0.00 0.00 178.44 178.94 1skr h ARG 482 N 0.00 0.00 -0.20 1.13 3.08 -0.37 -0.86 114.38 117.17 1skr h ARG 482 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1skr h ARG 482 Cb 1.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.81 1skr h ARG 482 CO 0.13 0.61 -0.44 0.00 -1.07 0.00 0.00 179.97 179.20 1skr h LEU 484 N 0.40 0.42 -0.32 0.00 5.85 -0.98 -2.19 115.31 118.50 1skr h LEU 484 Ca 0.03 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.58 1skr h LEU 484 Cb 0.94 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.79 1skr h LEU 484 CO 0.08 0.55 -0.10 0.00 -0.34 0.00 0.00 178.44 178.63 1skr h ALA 485 N 0.89 0.18 -0.08 1.25 0.00 -0.80 -0.27 119.26 120.42 1skr h ALA 485 Ca 0.09 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1skr h ALA 485 Cb 0.29 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1skr h ALA 485 CO 0.00 -0.49 -0.40 1.25 0.00 0.00 0.00 179.25 179.62 1skr h HIS 486 N -0.03 -1.13 0.00 0.00 -0.00 -0.97 -1.69 115.15 111.33 1skr h HIS 486 Ca 0.16 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1skr h HIS 486 Cb 0.27 0.51 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1skr h HIS 486 CO -0.32 -0.47 0.00 1.19 -0.00 0.00 0.00 177.93 178.34 1skr n PHE 487 N -5.44 0.87 1.05 5.26 3.72 -0.84 -2.54 117.46 119.54 1skr n PHE 487 Ca -0.04 0.32 0.12 0.00 -0.05 0.00 0.00 57.45 57.79 1skr n PHE 487 Cb 0.36 -1.02 0.17 0.00 -0.94 0.00 0.00 39.48 38.05 1skr n PHE 487 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1skr n MET 488 N -2.27 0.28 -0.36 -1.08 2.81 -0.14 -4.35 117.12 112.02 1skr n MET 488 Ca 0.03 -0.19 0.03 0.00 -1.81 0.00 0.00 57.70 55.75 1skr n MET 488 Cb 0.27 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.46 1skr n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1skr h ALA 489 N 3.22 1.36 0.00 3.04 0.00 -1.04 0.56 119.26 126.41 1skr h ALA 489 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1skr h ALA 489 Cb 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1skr h ALA 489 CO 0.00 0.38 -0.01 0.07 0.00 0.00 0.00 179.25 179.68 1skr h ARG 490 N 1.11 0.00 0.06 0.00 0.11 -1.79 0.28 114.38 114.14 1skr h ARG 490 Ca 0.43 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 60.14 1skr h ARG 490 Cb 0.21 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.25 1skr h ARG 490 CO -0.19 0.01 -2.20 1.19 0.10 0.00 0.00 179.97 178.89 1skr n PHE 491 N -3.14 0.66 -0.34 4.08 3.72 -0.22 -4.59 117.46 117.63 1skr n PHE 491 Ca -0.01 0.15 0.05 0.00 -0.05 0.00 0.00 57.45 57.59 1skr n PHE 491 Cb 0.20 -1.09 0.13 0.00 -0.94 0.00 0.00 39.48 37.78 1skr n PHE 491 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1skr n ASP 492 N -3.32 2.81 -2.22 4.37 5.75 0.02 -4.99 116.55 118.97 1skr n ASP 492 Ca -0.37 -2.25 -0.18 0.00 -0.01 0.00 0.00 54.79 51.98 1skr n ASP 492 Cb 1.03 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.86 1skr n ASP 492 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1skr n ASN 493 N -0.06 -5.19 0.00 -1.12 3.02 0.98 -2.34 115.26 110.56 1skr n ASN 493 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1skr n ASN 493 Cb 0.48 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1skr n ASN 493 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1skr n GLY 494 N -0.82 0.63 0.07 7.41 0.00 -1.22 -4.97 105.19 106.30 1skr n GLY 494 Ca -0.21 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 1skr n GLY 494 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1skr h GLU 495 N 1.62 -0.09 -0.49 1.61 5.08 -1.82 -0.60 114.58 119.89 1skr h GLU 495 Ca 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1skr h GLU 495 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1skr h GLU 495 CO 0.00 -0.06 0.06 -0.92 -1.00 0.00 0.00 179.01 177.09 1skr h TYR 496 N -0.09 0.88 -0.71 4.33 3.20 -1.93 0.17 116.97 122.81 1skr h TYR 496 Ca -0.01 -0.13 0.12 0.00 3.14 0.00 0.00 58.73 61.85 1skr h TYR 496 Cb 0.07 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 1skr h TYR 496 CO -0.07 0.82 0.47 0.00 -1.64 0.00 0.00 178.16 177.73 1skr h ALA 497 N 0.95 2.00 0.12 1.82 0.00 -1.77 0.12 119.26 122.50 1skr h ALA 497 Ca 0.14 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1skr h ALA 497 Cb 0.43 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1skr h ALA 497 CO 0.01 -0.17 -0.81 1.25 0.00 0.00 0.00 179.25 179.54 1skr h HIS 498 N 0.48 0.46 0.00 0.00 -0.00 -0.52 -3.35 115.15 112.22 1skr h HIS 498 Ca 0.34 -0.34 -0.06 0.00 -0.00 0.00 0.00 60.37 60.31 1skr h HIS 498 Cb 0.65 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1skr h HIS 498 CO -0.00 1.31 -0.29 1.05 -0.00 0.00 0.00 177.93 180.00 1skr h GLU 499 N -0.44 0.00 0.00 5.26 4.11 -0.17 -2.75 114.58 120.59 1skr h GLU 499 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1skr h GLU 499 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1skr h GLU 499 CO 0.12 0.29 0.00 0.97 0.07 0.00 0.00 179.01 180.45 1skr h ILE 500 N 0.00 0.00 -0.08 -1.06 2.10 -0.91 -2.14 117.51 115.42 1skr h ILE 500 Ca -0.00 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1skr h ILE 500 Cb 0.71 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1skr h ILE 500 CO 0.04 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.29 1skr n LEU 501 N -2.88 1.52 -4.45 2.19 4.77 -1.03 -4.35 117.00 112.76 1skr n LEU 501 Ca 0.00 -0.56 -0.44 0.00 -0.03 0.00 0.00 56.01 54.98 1skr n LEU 501 Cb 0.25 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1skr n LEU 501 CO 0.24 0.28 1.23 0.21 -1.33 0.00 0.00 177.39 178.02 1skr s ASN 502 N -1.82 6.93 0.00 -1.43 2.47 -0.81 -4.90 114.94 115.39 1skr s ASN 502 Ca 0.36 -2.70 0.00 0.00 0.42 0.00 0.00 52.86 50.93 1skr s ASN 502 Cb 0.19 -2.39 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 1skr s ASN 502 CO 0.31 -0.83 0.00 0.61 -3.72 0.00 0.00 177.10 173.46 1skr n GLY 503 N 4.51 -2.35 3.67 1.21 0.00 -1.26 -4.78 105.19 106.20 1skr n GLY 503 Ca 0.32 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1skr n GLY 503 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1skr s ASP 504 N -2.18 6.93 0.28 1.61 2.15 -1.26 -4.93 116.67 119.27 1skr s ASP 504 Ca 0.00 1.86 -0.03 0.00 0.43 0.00 0.00 52.55 54.81 1skr s ASP 504 Cb 0.00 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 40.45 1skr s ASP 504 CO 0.00 -0.71 1.93 -0.29 -0.17 0.00 0.00 175.17 175.93 1skr h ILE 505 N 5.24 1.23 -0.19 4.11 6.09 -1.86 -0.01 117.51 132.11 1skr h ILE 505 Ca -0.32 -0.49 -0.21 0.00 -1.37 0.00 0.00 64.86 62.46 1skr h ILE 505 Cb 1.14 0.06 0.01 0.00 0.47 0.00 0.00 36.82 38.50 1skr h ILE 505 CO 0.93 0.24 -0.72 0.45 -3.07 0.00 0.00 178.15 175.97 1skr h HIS 506 N 1.14 1.07 -0.33 2.19 3.86 -1.96 -0.62 115.15 120.50 1skr h HIS 506 Ca 0.30 -0.45 -0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1skr h HIS 506 Cb -0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.23 1skr h HIS 506 CO 0.00 1.28 -0.27 1.15 0.86 0.00 0.00 177.93 180.96 1skr h THR 507 N 0.57 1.27 -0.47 2.45 2.02 -1.88 0.15 112.91 117.03 1skr h THR 507 Ca -0.04 -1.36 -0.09 0.00 0.77 0.00 0.00 66.41 65.69 1skr h THR 507 Cb 1.34 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1skr h THR 507 CO 0.15 0.45 -0.08 0.50 0.37 0.00 0.00 175.52 176.90 1skr h LYS 508 N 0.57 0.83 -0.12 6.66 3.64 -0.88 -2.39 116.57 124.89 1skr h LYS 508 Ca 0.08 -0.27 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1skr h LYS 508 Cb 0.75 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1skr h LYS 508 CO 0.06 0.89 -0.71 -0.91 -2.27 0.00 0.00 179.45 176.51 1skr h ASN 509 N 0.76 0.64 -0.40 4.20 2.35 -0.75 -2.83 115.58 119.54 1skr h ASN 509 Ca 0.13 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 55.53 1skr h ASN 509 Cb 0.57 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 1skr h ASN 509 CO 0.04 1.16 0.10 -0.61 -1.65 0.00 0.00 177.43 176.46 1skr h GLN 510 N 0.38 0.23 0.06 0.81 4.15 -0.44 0.10 115.11 120.41 1skr h GLN 510 Ca -0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1skr h GLN 510 Cb 1.29 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1skr h GLN 510 CO 0.13 0.15 -0.03 0.82 -1.93 0.00 0.00 178.83 177.98 1skr h ILE 511 N 0.24 0.98 -0.53 2.39 2.04 -1.43 0.14 117.51 121.35 1skr h ILE 511 Ca 0.19 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1skr h ILE 511 Cb 0.21 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1skr h ILE 511 CO -0.23 0.03 0.27 0.00 0.00 0.00 0.00 178.15 178.22 1skr h ALA 512 N 0.80 1.48 -0.01 1.87 0.00 -1.21 -1.67 119.26 120.52 1skr h ALA 512 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1skr h ALA 512 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1skr h ALA 512 CO 0.01 0.42 -0.20 0.00 0.00 0.00 0.00 179.25 179.49 1skr n ALA 513 N -2.46 2.95 -3.62 0.00 0.00 0.32 -4.94 120.51 112.77 1skr n ALA 513 Ca 0.04 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 1skr n ALA 513 Cb 0.11 -1.18 0.08 0.00 0.00 0.00 0.00 19.45 18.45 1skr n ALA 513 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1skr n GLU 514 N -0.63 -7.65 -3.26 0.00 1.02 0.34 -4.99 120.64 105.47 1skr n GLU 514 Ca 0.13 0.81 -0.31 0.00 -0.02 0.00 0.00 57.16 57.78 1skr n GLU 514 Cb 0.33 -5.85 -0.04 0.00 -0.02 0.00 0.00 31.44 25.86 1skr n GLU 514 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1skr s LEU 515 N -7.24 4.06 0.28 -4.62 1.43 -0.32 -5.03 118.68 107.26 1skr s LEU 515 Ca 0.55 0.93 0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1skr s LEU 515 Cb -0.24 -3.74 0.41 0.00 0.03 0.00 0.00 46.19 42.65 1skr s LEU 515 CO 0.74 -0.18 1.74 1.55 0.23 0.00 0.00 176.35 180.43 1skr h PRO 516 N 2.02 0.55 -4.58 1.29 0.13 -1.94 -3.45 132.00 126.03 1skr h PRO 516 Ca -0.47 -0.19 -0.23 0.00 -0.87 0.00 0.00 66.00 64.24 1skr h PRO 516 Cb 1.18 -0.04 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 1skr h PRO 516 CO 0.67 0.71 -0.64 0.95 -0.23 0.00 0.00 178.00 179.46 1skr s THR 517 N -4.64 0.18 0.22 1.56 -4.23 -1.26 -5.04 115.64 102.43 1skr s THR 517 Ca -0.07 -1.96 0.01 0.00 -1.18 0.00 0.00 61.69 58.48 1skr s THR 517 Cb 0.14 -2.28 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1skr s THR 517 CO 0.79 -0.24 1.55 -0.09 -0.54 0.00 0.00 174.62 176.09 1skr h ARG 518 N 2.70 0.41 -0.59 3.99 2.43 -1.92 -2.79 114.38 118.62 1skr h ARG 518 Ca -0.36 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 58.52 1skr h ARG 518 Cb 1.22 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1skr h ARG 518 CO 0.57 0.85 0.22 -0.44 -1.51 0.00 0.00 179.97 179.67 1skr h ASP 519 N 0.32 0.82 -0.92 -3.80 3.32 -1.96 -1.69 116.42 112.51 1skr h ASP 519 Ca 0.01 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1skr h ASP 519 Cb 1.05 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.34 1skr h ASP 519 CO 0.09 0.77 0.61 -1.13 -1.72 0.00 0.00 179.24 177.87 1skr h ASN 520 N 0.81 1.04 -0.53 6.45 -0.00 -1.95 -1.65 115.58 119.76 1skr h ASN 520 Ca 0.19 -0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.41 1skr h ASN 520 Cb 0.22 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.26 1skr h ASN 520 CO -0.01 0.74 0.10 0.00 -0.00 0.00 0.00 177.43 178.26 1skr h ALA 521 N 1.44 1.10 0.01 1.57 0.00 -1.14 -0.51 119.26 121.73 1skr h ALA 521 Ca 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1skr h ALA 521 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1skr h ALA 521 CO -0.09 0.59 -0.01 0.87 0.00 0.00 0.00 179.25 180.62 1skr h LYS 522 N 0.87 -0.01 0.00 0.00 1.57 -0.54 -0.31 116.57 118.14 1skr h LYS 522 Ca 0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 1skr h LYS 522 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1skr h LYS 522 CO 0.01 0.35 -0.13 0.00 -0.57 0.00 0.00 179.45 179.11 1skr h THR 523 N -0.39 0.54 0.30 -0.16 1.03 -1.26 -2.20 112.91 110.78 1skr h THR 523 Ca -0.00 -0.61 -0.01 0.00 -0.01 0.00 0.00 66.41 65.77 1skr h THR 523 Cb 0.38 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 68.86 1skr h THR 523 CO 0.00 0.13 -0.15 0.15 -0.01 0.00 0.00 175.52 175.64 1skr h PHE 524 N 0.00 -0.38 -0.77 0.00 3.57 -0.84 -2.54 116.94 115.98 1skr h PHE 524 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1skr h PHE 524 Cb 0.39 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1skr h PHE 524 CO 0.00 -0.12 0.44 0.97 -2.23 0.00 0.00 178.31 177.38 1skr h ILE 525 N -1.04 0.96 -0.32 1.41 6.09 -0.97 -0.38 117.51 123.26 1skr h ILE 525 Ca -0.04 -0.27 -0.18 0.00 -1.37 0.00 0.00 64.86 63.00 1skr h ILE 525 Cb 0.43 0.10 -0.00 0.00 0.47 0.00 0.00 36.82 37.82 1skr h ILE 525 CO 0.07 0.14 -0.50 1.88 -3.07 0.00 0.00 178.15 176.67 1skr h TYR 526 N 0.79 1.10 -0.49 2.19 0.05 -1.52 0.15 116.97 119.24 1skr h TYR 526 Ca 0.35 -0.37 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1skr h TYR 526 Cb 0.25 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1skr h TYR 526 CO -0.06 1.20 0.28 0.78 -1.05 0.00 0.00 178.16 179.32 1skr h GLY 527 N 0.73 0.68 0.92 3.88 0.00 -1.00 -0.21 103.07 108.07 1skr h GLY 527 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1skr h GLY 527 CO 0.11 0.17 -0.27 -2.75 0.00 0.00 0.00 176.54 173.81 1skr h PHE 528 N 0.57 -0.71 -0.53 5.60 3.57 -0.91 -0.33 116.94 124.20 1skr h PHE 528 Ca 0.20 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.81 1skr h PHE 528 Cb 0.03 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1skr h PHE 528 CO -0.07 -0.42 0.37 1.25 -2.23 0.00 0.00 178.31 177.20 1skr h LEU 529 N -0.70 0.15 -3.90 0.59 5.85 -0.37 -2.51 115.31 114.42 1skr h LEU 529 Ca -0.06 0.01 -0.49 0.00 0.84 0.00 0.00 57.88 58.18 1skr h LEU 529 Cb 0.56 -0.03 -0.28 0.00 0.37 0.00 0.00 40.66 41.29 1skr h LEU 529 CO 0.07 0.08 0.55 -1.22 -0.34 0.00 0.00 178.44 177.59 1skr n TYR 530 N -4.43 2.80 -0.93 1.25 4.01 -0.12 -4.92 117.16 114.82 1skr n TYR 530 Ca 0.09 -1.98 0.00 0.00 -0.16 0.00 0.00 57.90 55.85 1skr n TYR 530 Cb 0.49 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.58 1skr n TYR 530 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1skr n GLY 531 N -1.11 0.46 3.75 2.72 0.00 -0.94 -4.96 105.19 105.11 1skr n GLY 531 Ca 0.56 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1skr n GLY 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr s ALA 532 N -2.00 3.60 1.08 4.61 0.00 -0.16 -4.99 121.76 123.90 1skr s ALA 532 Ca 0.00 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 1skr s ALA 532 Cb 0.00 -3.55 0.23 0.00 0.00 0.00 0.00 23.12 19.80 1skr s ALA 532 CO 0.00 -0.75 1.11 0.20 0.00 0.00 0.00 175.76 176.32 1skr s GLY 533 N 0.19 1.58 0.19 0.00 0.00 -1.26 -4.72 107.32 103.29 1skr s GLY 533 Ca 0.57 -0.64 -0.13 0.00 0.00 0.00 0.00 44.72 44.52 1skr s GLY 533 CO 0.46 0.09 1.85 -0.55 0.00 0.00 0.00 173.10 174.95 1skr h ASP 534 N -2.15 0.68 -0.13 1.64 3.32 -1.87 -0.16 116.42 117.74 1skr h ASP 534 Ca -0.51 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1skr h ASP 534 Cb 1.32 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1skr h ASP 534 CO 0.48 0.49 0.06 -0.08 -1.72 0.00 0.00 179.24 178.47 1skr h GLU 535 N 0.81 0.20 -0.57 3.56 4.81 -1.90 -1.28 114.58 120.20 1skr h GLU 535 Ca 0.22 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1skr h GLU 535 Cb -0.08 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 1skr h GLU 535 CO -0.05 0.28 0.33 -0.22 -0.73 0.00 0.00 179.01 178.61 1skr h LYS 536 N 0.07 0.62 -0.36 1.92 1.63 -1.85 -0.56 116.57 118.03 1skr h LYS 536 Ca 0.04 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.83 1skr h LYS 536 Cb 0.15 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.62 1skr h LYS 536 CO -0.00 0.41 0.19 0.82 -3.45 0.00 0.00 179.45 177.41 1skr h ILE 537 N 0.63 1.00 -0.45 2.00 1.08 -0.84 -1.22 117.51 119.72 1skr h ILE 537 Ca 0.24 -0.13 0.08 0.00 -0.39 0.00 0.00 64.86 64.65 1skr h ILE 537 Cb 0.08 0.58 -0.06 0.00 -3.07 0.00 0.00 36.82 34.35 1skr h ILE 537 CO -0.13 0.07 0.06 1.23 -0.69 0.00 0.00 178.15 178.70 1skr h GLY 538 N 0.38 0.51 0.55 5.37 0.00 -0.38 -1.87 103.07 107.63 1skr h GLY 538 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1skr h GLY 538 CO -0.10 -0.07 -0.21 -1.61 0.00 0.00 0.00 176.54 174.56 1skr h GLN 539 N 0.19 -0.33 -0.62 4.80 4.15 -0.53 0.72 115.11 123.49 1skr h GLN 539 Ca 0.22 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.79 1skr h GLN 539 Cb 0.29 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 27.95 1skr h GLN 539 CO -0.31 -0.22 -0.00 0.82 -1.93 0.00 0.00 178.83 177.19 1skr h ILE 540 N -0.34 0.49 -0.03 2.39 1.08 -0.56 0.13 117.51 120.67 1skr h ILE 540 Ca 0.05 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.48 1skr h ILE 540 Cb 0.41 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1skr h ILE 540 CO -0.17 0.02 0.00 1.33 -0.69 0.00 0.00 178.15 178.64 1skr n VAL 541 N -5.28 0.02 -2.63 1.67 0.24 -0.77 -4.94 118.33 106.64 1skr n VAL 541 Ca 0.09 -0.18 -0.07 0.00 -2.04 0.00 0.00 64.34 62.13 1skr n VAL 541 Cb 0.36 0.19 0.04 0.00 -1.47 0.00 0.00 33.84 32.96 1skr n VAL 541 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1skr n GLY 542 N 1.11 0.16 0.00 7.63 0.00 0.47 -5.01 105.19 109.55 1skr n GLY 542 Ca 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1skr n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1skr n ALA 543 N -2.45 0.00 -2.05 4.61 0.00 0.22 -4.99 120.51 115.86 1skr n ALA 543 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 1skr n ALA 543 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 1skr n ALA 543 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1skr s GLY 544 N 0.00 1.92 0.47 0.00 0.00 -1.26 -3.82 107.32 104.62 1skr s GLY 544 Ca 0.00 -1.65 0.16 0.00 0.00 0.00 0.00 44.72 43.23 1skr s GLY 544 CO 0.00 -1.48 2.03 0.07 0.00 0.00 0.00 173.10 173.72 1skr h LYS 545 N 0.66 0.25 -0.41 2.90 2.10 -1.84 -0.79 116.57 119.45 1skr h LYS 545 Ca -0.40 -0.02 -0.10 0.00 -2.00 0.00 0.00 60.65 58.13 1skr h LYS 545 Cb 1.28 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.54 1skr h LYS 545 CO 0.46 0.17 -0.16 0.93 -2.00 0.00 0.00 179.45 178.84 1skr h GLU 546 N 0.26 0.77 0.00 0.07 3.07 -1.95 -1.10 114.58 115.70 1skr h GLU 546 Ca 0.20 -0.28 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 1skr h GLU 546 Cb 0.46 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 1skr h GLU 546 CO -0.04 0.88 -0.44 -0.09 -1.40 0.00 0.00 179.01 177.92 1skr h ARG 547 N 0.68 0.00 -0.28 2.33 9.65 -1.54 -2.42 114.38 122.80 1skr h ARG 547 Ca 0.11 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.89 1skr h ARG 547 Cb 0.65 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 1skr h ARG 547 CO 0.05 0.44 -0.25 0.78 2.80 0.00 0.00 179.97 183.79 1skr h GLY 548 N 1.47 0.58 0.73 2.80 0.00 -0.31 -2.68 103.07 105.67 1skr h GLY 548 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1skr h GLY 548 CO 0.06 0.44 -0.12 0.50 0.00 0.00 0.00 176.54 177.42 1skr h LYS 549 N 0.47 -0.32 -0.59 4.80 1.57 -0.77 -1.93 116.57 119.81 1skr h LYS 549 Ca 0.07 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1skr h LYS 549 Cb 0.69 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.98 1skr h LYS 549 CO 0.05 -0.03 -0.57 0.93 -0.57 0.00 0.00 179.45 179.26 1skr h GLU 550 N -0.61 -0.27 -0.50 3.15 5.08 -1.39 -1.45 114.58 118.60 1skr h GLU 550 Ca -0.03 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1skr h GLU 550 Cb 0.44 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1skr h GLU 550 CO 0.06 -0.18 0.23 -0.07 -1.00 0.00 0.00 179.01 178.05 1skr h LEU 551 N -0.28 0.31 -0.22 1.33 4.07 -1.51 -0.13 115.31 118.88 1skr h LEU 551 Ca 0.10 0.04 0.05 0.00 0.08 0.00 0.00 57.88 58.14 1skr h LEU 551 Cb 0.54 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1skr h LEU 551 CO -0.70 0.21 -0.07 0.50 -1.08 0.00 0.00 178.44 177.31 1skr h LYS 552 N 0.45 -0.02 0.00 1.13 3.11 -0.48 -1.32 116.57 119.44 1skr h LYS 552 Ca 0.22 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.91 1skr h LYS 552 Cb 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1skr h LYS 552 CO -0.18 -0.01 -0.75 1.57 -2.81 0.00 0.00 179.45 177.27 1skr h LYS 553 N -0.02 0.00 0.05 1.90 2.10 -1.18 -1.96 116.57 117.46 1skr h LYS 553 Ca 0.11 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1skr h LYS 553 Cb 0.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1skr h LYS 553 CO -0.24 0.75 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.72 1skr h LYS 554 N 0.00 -0.06 0.00 0.07 3.64 -0.53 0.58 116.57 120.26 1skr h LYS 554 Ca -0.01 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1skr h LYS 554 Cb 1.38 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1skr h LYS 554 CO 0.10 0.02 -0.71 0.74 -2.27 0.00 0.00 179.45 177.32 1skr h PHE 555 N -0.12 0.00 -0.22 1.91 -1.00 -1.32 -2.76 116.94 113.43 1skr h PHE 555 Ca -0.01 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1skr h PHE 555 Cb 0.10 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.66 1skr h PHE 555 CO -0.06 0.71 -0.32 1.25 -1.61 0.00 0.00 178.31 178.29 1skr h LEU 556 N 0.00 0.66 -0.99 1.54 5.85 -1.26 -3.02 115.31 118.09 1skr h LEU 556 Ca -0.01 -0.52 -0.10 0.00 0.84 0.00 0.00 57.88 58.09 1skr h LEU 556 Cb 1.54 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1skr h LEU 556 CO 0.09 1.05 -0.48 -0.33 -0.34 0.00 0.00 178.44 178.43 1skr h GLU 557 N 0.29 0.00 0.00 1.25 5.08 -0.96 -2.41 114.58 117.83 1skr h GLU 557 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1skr h GLU 557 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1skr h GLU 557 CO 0.07 0.48 0.00 -1.71 -1.00 0.00 0.00 179.01 176.85 1skr n ASN 558 N -3.83 0.30 -2.90 1.42 5.15 -1.04 -4.04 115.26 110.32 1skr n ASN 558 Ca -0.01 0.56 -0.11 0.00 -0.60 0.00 0.00 54.58 54.42 1skr n ASN 558 Cb 0.52 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.14 1skr n ASN 558 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1skr n THR 559 N -1.82 -0.26 0.31 -0.44 -1.04 -0.94 -5.01 114.28 105.08 1skr n THR 559 Ca 0.04 -1.92 0.20 0.00 -2.04 0.00 0.00 64.05 60.33 1skr n THR 559 Cb 0.23 0.43 0.99 0.00 -1.82 0.00 0.00 70.33 70.16 1skr n THR 559 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1skr h PRO 560 N 4.58 0.00 0.00 -2.82 0.13 -1.60 -2.59 132.00 129.69 1skr h PRO 560 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1skr h PRO 560 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1skr h PRO 560 CO 0.24 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.01 1skr h ALA 561 N 2.01 1.00 -0.60 -0.56 0.00 -1.95 -0.70 119.26 118.46 1skr h ALA 561 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1skr h ALA 561 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1skr h ALA 561 CO 0.00 0.00 0.12 0.82 0.00 0.00 0.00 179.25 180.19 1skr h ILE 562 N 0.00 1.26 -0.47 0.00 2.04 -1.80 -0.84 117.51 117.70 1skr h ILE 562 Ca 0.00 -0.96 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 1skr h ILE 562 Cb 0.05 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1skr h ILE 562 CO 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 178.15 178.41 1skr h ALA 563 N 1.03 0.64 -0.20 1.87 0.00 -1.35 -1.90 119.26 119.34 1skr h ALA 563 Ca 0.19 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1skr h ALA 563 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1skr h ALA 563 CO 0.01 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.85 1skr h ALA 564 N 0.88 0.22 -0.34 0.00 0.00 -1.37 0.55 119.26 119.20 1skr h ALA 564 Ca 0.12 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1skr h ALA 564 Cb 0.64 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1skr h ALA 564 CO 0.04 -0.37 0.17 1.25 0.00 0.00 0.00 179.25 180.35 1skr h LEU 565 N 0.15 0.25 -0.53 0.00 5.85 -1.05 -0.50 115.31 119.49 1skr h LEU 565 Ca 0.09 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1skr h LEU 565 Cb 0.07 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1skr h LEU 565 CO -0.10 0.19 0.31 0.03 -0.34 0.00 0.00 178.44 178.52 1skr h ARG 566 N 0.35 0.59 -0.51 1.25 3.08 -0.89 -0.23 114.38 118.02 1skr h ARG 566 Ca 0.14 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1skr h ARG 566 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1skr h ARG 566 CO -0.10 0.39 0.26 0.93 -1.07 0.00 0.00 179.97 180.39 1skr h GLU 567 N 0.61 0.73 -0.51 0.04 5.08 -0.50 -1.19 114.58 118.85 1skr h GLU 567 Ca 0.22 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1skr h GLU 567 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1skr h GLU 567 CO -0.11 0.59 0.26 1.03 -1.00 0.00 0.00 179.01 179.78 1skr h SER 568 N 0.69 0.65 -0.26 1.42 0.87 -0.69 0.09 113.55 116.31 1skr h SER 568 Ca 0.18 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1skr h SER 568 Cb 0.09 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1skr h SER 568 CO -0.03 0.58 0.14 0.40 -0.53 0.00 0.00 176.83 177.39 1skr h ILE 569 N 0.67 1.01 -0.03 2.23 2.04 -0.79 -2.29 117.51 120.35 1skr h ILE 569 Ca 0.18 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1skr h ILE 569 Cb 0.09 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1skr h ILE 569 CO -0.02 0.05 -0.12 1.56 0.00 0.00 0.00 178.15 179.62 1skr h GLN 570 N 0.29 -0.18 0.00 2.37 1.08 -0.79 -1.88 115.11 116.00 1skr h GLN 570 Ca 0.10 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1skr h GLN 570 Cb 0.02 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.49 1skr h GLN 570 CO -0.06 -0.12 -0.00 1.96 -0.95 0.00 0.00 178.83 179.66 1skr h GLN 571 N -0.19 0.00 0.06 1.46 1.08 -0.83 0.16 115.11 116.85 1skr h GLN 571 Ca 0.05 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.06 1skr h GLN 571 Cb 0.26 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1skr h GLN 571 CO -0.14 0.00 -0.79 1.15 -0.95 0.00 0.00 178.83 178.09 1skr h THR 572 N 0.00 1.42 0.10 -0.54 2.02 -1.02 -3.40 112.91 111.49 1skr h THR 572 Ca -0.00 -2.27 -0.29 0.00 0.77 0.00 0.00 66.41 64.61 1skr h THR 572 Cb 0.00 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1skr h THR 572 CO 0.00 0.66 -1.54 -0.07 0.37 0.00 0.00 175.52 174.94 1skr h LEU 573 N -0.08 0.33 -9.77 2.58 3.38 -1.02 -3.39 115.31 107.34 1skr h LEU 573 Ca -0.12 -0.83 -0.64 0.00 0.09 0.00 0.00 57.88 56.38 1skr h LEU 573 Cb 1.52 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 42.11 1skr h LEU 573 CO 0.15 1.66 -0.48 -0.69 0.09 0.00 0.00 178.44 179.18 1skr s VAL 574 N -2.48 5.43 0.00 1.22 1.01 0.52 0.08 120.40 126.19 1skr s VAL 574 Ca -0.22 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1skr s VAL 574 Cb 0.05 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1skr s VAL 574 CO 0.74 0.39 0.00 -1.84 0.00 0.00 0.00 175.10 174.39 1skr n GLU 575 N 1.16 0.47 -1.47 2.72 0.28 -1.26 -4.56 120.64 117.97 1skr n GLU 575 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 1skr n GLU 575 Cb 0.53 -0.92 0.00 0.00 1.43 0.00 0.00 31.44 32.48 1skr n GLU 575 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1skr n LYS 587 N -2.27 -4.16 -3.55 3.44 5.02 -1.26 -4.94 118.16 110.44 1skr n LYS 587 Ca 0.00 3.03 -0.37 0.00 -2.02 0.00 0.00 58.31 58.96 1skr n LYS 587 Cb 0.42 -3.36 -0.08 0.00 -0.02 0.00 0.00 35.03 31.99 1skr n LYS 587 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1skr s TRP 588 N -2.26 3.41 0.13 2.13 0.52 -1.26 -4.94 118.94 116.67 1skr s TRP 588 Ca 0.00 0.49 0.03 0.00 0.02 0.00 0.00 56.10 56.64 1skr s TRP 588 Cb 0.00 -2.35 -0.13 0.00 -1.15 0.00 0.00 33.47 29.84 1skr s TRP 588 CO 0.00 0.15 1.30 -0.22 0.02 0.00 0.00 176.95 178.20 1skr h LYS 589 N 7.00 0.14 -1.63 4.98 3.64 -0.63 -3.46 116.57 126.61 1skr h LYS 589 Ca -0.39 -0.19 0.08 0.00 -1.27 0.00 0.00 60.65 58.88 1skr h LYS 589 Cb 1.16 0.06 -0.26 0.00 -0.41 0.00 0.00 32.23 32.79 1skr h LYS 589 CO 0.73 1.02 0.34 0.50 -2.27 0.00 0.00 179.45 179.77 1skr s ARG 590 N -2.92 0.46 -0.39 1.90 3.52 -1.05 -5.03 118.95 115.46 1skr s ARG 590 Ca -0.02 0.74 0.06 0.00 -0.13 0.00 0.00 55.73 56.38 1skr s ARG 590 Cb 0.09 0.13 0.62 0.00 -1.56 0.00 0.00 34.95 34.23 1skr s ARG 590 CO 0.84 -0.09 1.75 -2.13 -0.81 0.00 0.00 175.30 174.86 1skr n ARG 591 N 3.45 2.21 -3.68 5.12 0.63 -1.26 -4.60 116.66 118.53 1skr n ARG 591 Ca -0.17 -3.08 -0.15 0.00 -0.92 0.00 0.00 57.85 53.53 1skr n ARG 591 Cb 0.57 -2.05 -0.08 0.00 0.45 0.00 0.00 32.46 31.35 1skr n ARG 591 CO 0.00 0.00 0.00 1.67 -2.51 0.00 0.00 177.63 176.79 1skr s TRP 592 N -3.26 -0.39 0.08 -0.14 1.48 -1.26 -1.79 118.94 113.66 1skr s TRP 592 Ca 0.52 0.74 0.00 0.00 -1.06 0.00 0.00 56.10 56.31 1skr s TRP 592 Cb 0.45 0.20 -0.04 0.00 -1.16 0.00 0.00 33.47 32.92 1skr s TRP 592 CO 0.07 -0.42 0.23 0.42 -4.06 0.00 0.00 176.95 173.20 1skr s ILE 593 N -0.91 5.37 -0.36 0.66 -1.09 0.15 -4.82 121.20 120.20 1skr s ILE 593 Ca -0.10 -0.45 -0.20 0.00 -2.23 0.00 0.00 60.65 57.67 1skr s ILE 593 Cb -0.03 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1skr s ILE 593 CO 0.05 0.08 0.64 -0.75 -1.23 0.00 0.00 174.94 173.73 1skr s LYS 594 N -2.69 3.67 0.94 2.79 2.20 -1.26 0.40 119.74 125.79 1skr s LYS 594 Ca 0.35 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.89 1skr s LYS 594 Cb -0.13 -3.81 0.15 0.00 -1.51 0.00 0.00 37.83 32.54 1skr s LYS 594 CO 0.28 -0.74 1.10 0.20 -0.36 0.00 0.00 175.35 175.82 1skr s GLY 595 N 1.80 1.59 0.43 5.54 0.00 -0.07 -4.84 107.32 111.76 1skr s GLY 595 Ca 0.24 -0.25 0.19 0.00 0.00 0.00 0.00 44.72 44.91 1skr s GLY 595 CO 0.15 0.30 1.84 1.41 0.00 0.00 0.00 173.10 176.80 1skr h LEU 596 N -1.68 0.38 -2.54 0.66 3.38 -1.90 0.13 115.31 113.74 1skr h LEU 596 Ca -0.52 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1skr h LEU 596 Cb 1.31 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1skr h LEU 596 CO 0.57 0.14 0.00 -0.90 0.09 0.00 0.00 178.44 178.34 1skr n ASP 597 N -4.50 3.84 0.00 -0.43 5.68 -1.26 -4.94 116.55 114.93 1skr n ASP 597 Ca 0.20 -2.28 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1skr n ASP 597 Cb 0.75 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1skr n ASP 597 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1skr n GLY 598 N 1.11 2.05 3.62 6.12 0.00 0.47 -3.08 105.19 115.47 1skr n GLY 598 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 1skr n GLY 598 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1skr s ARG 599 N -0.64 0.16 -0.09 1.61 1.70 -1.26 -4.54 118.95 115.89 1skr s ARG 599 Ca 0.00 0.80 -0.18 0.00 -0.47 0.00 0.00 55.73 55.88 1skr s ARG 599 Cb 0.00 -1.68 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 1skr s ARG 599 CO 0.00 -2.99 0.49 0.15 -1.08 0.00 0.00 175.30 171.88 1skr s LYS 600 N -4.74 4.30 -0.30 3.89 1.02 -1.26 -0.89 119.74 121.76 1skr s LYS 600 Ca 0.66 0.49 0.01 0.00 0.02 0.00 0.00 55.97 57.15 1skr s LYS 600 Cb -0.21 -3.41 0.07 0.00 -0.52 0.00 0.00 37.83 33.76 1skr s LYS 600 CO 0.60 0.23 -0.02 0.08 -0.92 0.00 0.00 175.35 175.32 1skr s VAL 601 N 0.38 2.60 0.16 3.17 1.01 0.16 -4.91 120.40 122.98 1skr s VAL 601 Ca 0.27 -1.68 -0.33 0.00 0.00 0.00 0.00 61.98 60.24 1skr s VAL 601 Cb -0.16 -2.60 -0.12 0.00 0.00 0.00 0.00 36.38 33.50 1skr s VAL 601 CO 0.12 -0.20 1.71 1.57 0.00 0.00 0.00 175.10 178.29 1skr n HIS 602 N 4.49 2.54 -3.67 5.22 -0.00 -1.26 -0.67 115.22 121.88 1skr n HIS 602 Ca -0.10 0.07 -0.36 0.00 0.46 0.00 0.00 57.72 57.80 1skr n HIS 602 Cb 0.42 -2.64 -0.08 0.00 -0.12 0.00 0.00 29.99 27.57 1skr n HIS 602 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1skr s VAL 603 N 1.57 5.37 -0.09 3.57 1.01 -0.74 -4.86 120.40 126.24 1skr s VAL 603 Ca 0.79 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 1skr s VAL 603 Cb -0.57 -3.52 -0.27 0.00 0.00 0.00 0.00 36.38 32.03 1skr s VAL 603 CO 0.36 0.41 0.48 0.03 0.00 0.00 0.00 175.10 176.39 1skr h ARG 604 N 6.78 0.25 -3.42 2.72 3.08 -1.92 -3.46 114.38 118.40 1skr h ARG 604 Ca -0.41 -0.42 -0.17 0.00 0.07 0.00 0.00 59.98 59.05 1skr h ARG 604 Cb 1.16 0.16 -0.24 0.00 0.08 0.00 0.00 29.97 31.13 1skr h ARG 604 CO 0.75 1.13 -0.51 -1.12 -1.07 0.00 0.00 179.97 179.14 1skr s SER 605 N -6.94 -0.07 0.39 7.04 0.01 -1.26 -5.03 113.70 107.83 1skr s SER 605 Ca -0.18 0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.21 1skr s SER 605 Cb 0.07 0.27 0.80 0.00 0.21 0.00 0.00 66.02 67.37 1skr s SER 605 CO 0.80 -0.21 2.02 -0.65 0.41 0.00 0.00 173.24 175.61 1skr h PRO 606 N 5.10 0.64 0.00 12.44 0.11 -2.00 -1.34 132.00 146.95 1skr h PRO 606 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1skr h PRO 606 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1skr h PRO 606 CO 0.40 0.42 0.00 1.12 -0.21 0.00 0.00 178.00 179.74 1skr h HIS 607 N 0.66 0.00 -0.45 0.65 2.07 -2.01 -2.87 115.15 113.20 1skr h HIS 607 Ca 0.22 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.74 1skr h HIS 607 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 1skr h HIS 607 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1skr n ALA 608 N -2.05 2.30 -0.17 6.11 0.00 -0.58 -4.63 120.51 121.48 1skr n ALA 608 Ca 0.02 -1.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.26 1skr n ALA 608 Cb 0.37 -0.64 0.02 0.00 0.00 0.00 0.00 19.45 19.19 1skr n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1skr h ALA 609 N 3.09 0.63 -0.90 0.00 0.00 -1.11 -1.40 119.26 119.57 1skr h ALA 609 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1skr h ALA 609 Cb 0.83 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1skr h ALA 609 CO 0.00 0.10 0.49 1.25 0.00 0.00 0.00 179.25 181.08 1skr h LEU 610 N 0.67 1.13 -0.67 0.00 5.85 -1.82 -0.61 115.31 119.86 1skr h LEU 610 Ca 0.18 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1skr h LEU 610 Cb -0.04 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 1skr h LEU 610 CO -0.04 0.91 0.31 -1.13 -0.34 0.00 0.00 178.44 178.15 1skr h ASN 611 N 1.26 0.89 -0.06 1.25 -0.73 -1.80 -1.08 115.58 115.31 1skr h ASN 611 Ca 0.32 -0.14 0.02 0.00 1.87 0.00 0.00 56.30 58.36 1skr h ASN 611 Cb 0.04 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1skr h ASN 611 CO -0.05 0.78 -0.06 0.74 -0.37 0.00 0.00 177.43 178.47 1skr h THR 612 N 0.93 0.83 -0.28 -3.57 2.02 -0.50 0.24 112.91 112.59 1skr h THR 612 Ca 0.23 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.44 1skr h THR 612 Cb 0.14 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1skr h THR 612 CO -0.03 0.00 0.07 0.25 0.37 0.00 0.00 175.52 176.19 1skr h LEU 613 N -0.08 0.06 0.11 2.58 5.85 -0.78 -1.70 115.31 121.35 1skr h LEU 613 Ca 0.04 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.51 1skr h LEU 613 Cb 0.14 0.04 0.03 0.00 0.37 0.00 0.00 40.66 41.24 1skr h LEU 613 CO -0.10 0.07 -1.20 -0.07 -0.34 0.00 0.00 178.44 176.80 1skr h LEU 614 N 0.19 0.85 -0.73 2.25 3.38 -1.02 -2.47 115.31 117.77 1skr h LEU 614 Ca 0.12 -0.82 -0.10 0.00 0.09 0.00 0.00 57.88 57.17 1skr h LEU 614 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1skr h LEU 614 CO -0.15 1.59 -0.14 -0.61 0.09 0.00 0.00 178.44 179.23 1skr h GLN 615 N 0.23 0.83 -0.16 1.13 4.15 -0.55 -0.57 115.11 120.18 1skr h GLN 615 Ca -0.18 -0.30 -0.03 0.00 0.77 0.00 0.00 58.65 58.91 1skr h GLN 615 Cb 1.88 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.50 1skr h GLN 615 CO 0.23 0.92 -0.01 1.03 -1.93 0.00 0.00 178.83 179.07 1skr h SER 616 N 0.74 0.28 -0.05 -0.69 0.87 -1.39 0.20 113.55 113.52 1skr h SER 616 Ca 0.12 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.38 1skr h SER 616 Cb 0.64 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1skr h SER 616 CO 0.04 0.53 -0.09 0.00 -0.53 0.00 0.00 176.83 176.78 1skr h ALA 617 N 0.76 -0.06 -0.88 6.23 0.00 -1.34 0.26 119.26 124.23 1skr h ALA 617 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1skr h ALA 617 Cb 0.39 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1skr h ALA 617 CO 0.01 -0.57 0.58 0.78 0.00 0.00 0.00 179.25 180.05 1skr h GLY 618 N -0.14 1.24 1.02 0.00 0.00 -1.00 -0.04 103.07 104.16 1skr h GLY 618 Ca 0.05 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.82 1skr h GLY 618 CO -0.13 0.41 -0.19 0.00 0.00 0.00 0.00 176.54 176.63 1skr h ALA 619 N 1.47 0.56 -0.23 3.60 0.00 0.10 -2.00 119.26 122.75 1skr h ALA 619 Ca 0.33 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1skr h ALA 619 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1skr h ALA 619 CO -0.09 0.51 -0.46 -0.07 0.00 0.00 0.00 179.25 179.14 1skr h LEU 620 N 0.64 0.65 -0.08 0.00 3.38 -0.10 -1.40 115.31 118.40 1skr h LEU 620 Ca 0.09 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1skr h LEU 620 Cb 0.74 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1skr h LEU 620 CO 0.06 1.01 0.05 0.40 0.09 0.00 0.00 178.44 180.05 1skr h ILE 621 N 0.48 1.07 -0.15 1.22 2.04 -0.97 -1.74 117.51 119.46 1skr h ILE 621 Ca 0.03 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.64 1skr h ILE 621 Cb 0.99 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1skr h ILE 621 CO 0.09 0.06 -0.16 0.00 0.00 0.00 0.00 178.15 178.14 1skr h LYS 623 N 0.23 0.12 -0.27 0.00 3.64 -0.98 -0.85 116.57 118.46 1skr h LYS 623 Ca 0.05 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1skr h LYS 623 Cb 0.43 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1skr h LYS 623 CO 0.03 0.56 -0.07 1.25 -2.27 0.00 0.00 179.45 178.95 1skr h LEU 624 N -0.32 0.41 0.15 5.20 6.46 -1.20 -2.81 115.31 123.20 1skr h LEU 624 Ca 0.01 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1skr h LEU 624 Cb 0.53 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 1skr h LEU 624 CO 0.01 0.53 -0.08 -0.25 -0.62 0.00 0.00 178.44 178.04 1skr h TRP 625 N 0.41 -0.19 0.00 1.25 7.01 -0.69 0.76 115.95 124.50 1skr h TRP 625 Ca 0.08 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 1skr h TRP 625 Cb 0.39 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.50 1skr h TRP 625 CO 0.01 -0.12 -0.26 -0.84 -2.79 0.00 0.00 178.44 174.44 1skr h ILE 626 N -0.21 1.08 -0.01 2.65 3.07 -1.03 0.47 117.51 123.53 1skr h ILE 626 Ca -0.02 -0.91 -0.01 0.00 1.55 0.00 0.00 64.86 65.48 1skr h ILE 626 Cb 0.16 1.50 -0.00 0.00 -0.27 0.00 0.00 36.82 38.21 1skr h ILE 626 CO 0.03 0.25 -0.02 0.40 -1.05 0.00 0.00 178.15 177.76 1skr h ILE 627 N 0.00 1.42 -0.22 0.16 2.04 -1.24 -2.76 117.51 116.91 1skr h ILE 627 Ca -0.00 -1.27 -0.06 0.00 1.00 0.00 0.00 64.86 64.53 1skr h ILE 627 Cb 0.48 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 1skr h ILE 627 CO 0.03 0.33 -0.14 0.50 0.00 0.00 0.00 178.15 178.88 1skr h LYS 628 N -0.48 0.36 0.23 2.37 1.63 -0.58 -1.85 116.57 118.25 1skr h LYS 628 Ca 0.00 -0.10 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1skr h LYS 628 Cb 0.55 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1skr h LYS 628 CO 0.00 0.50 -0.11 1.15 -3.45 0.00 0.00 179.45 177.55 1skr h THR 629 N 0.34 0.81 -0.71 1.00 2.02 -0.88 -1.44 112.91 114.04 1skr h THR 629 Ca 0.07 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 66.98 1skr h THR 629 Cb 0.45 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1skr h THR 629 CO 0.03 0.05 0.21 -0.08 0.37 0.00 0.00 175.52 176.09 1skr h GLU 630 N -0.42 1.10 -0.84 6.66 4.81 -1.34 -1.84 114.58 122.72 1skr h GLU 630 Ca -0.03 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1skr h GLU 630 Cb 0.32 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1skr h GLU 630 CO 0.05 0.95 0.56 1.49 -0.73 0.00 0.00 179.01 181.33 1skr h GLU 631 N 1.06 1.10 -0.11 1.92 4.81 -1.22 -1.20 114.58 120.94 1skr h GLU 631 Ca 0.23 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.21 1skr h GLU 631 Cb 0.32 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1skr h GLU 631 CO -0.01 0.73 -0.69 0.52 -0.73 0.00 0.00 179.01 178.83 1skr h MET 632 N 1.14 0.47 -0.75 1.92 2.86 -0.85 -1.56 114.93 118.17 1skr h MET 632 Ca 0.31 -0.36 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1skr h MET 632 Cb -0.13 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 1skr h MET 632 CO -0.07 0.99 0.26 -0.07 1.06 0.00 0.00 176.91 179.08 1skr h LEU 633 N 0.33 1.06 -0.77 1.22 3.38 -0.77 -2.17 115.31 117.59 1skr h LEU 633 Ca -0.02 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 1skr h LEU 633 Cb 1.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1skr h LEU 633 CO 0.12 0.97 -0.58 0.58 0.09 0.00 0.00 178.44 179.62 1skr h VAL 634 N 1.10 1.40 0.00 1.22 2.07 -1.16 -1.51 116.25 119.37 1skr h VAL 634 Ca 0.24 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1skr h VAL 634 Cb 0.27 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1skr h VAL 634 CO -0.01 0.57 -0.05 -0.33 0.02 0.00 0.00 177.57 177.77 1skr h GLU 635 N 0.08 0.00 -0.01 1.57 5.08 -0.88 -1.37 114.58 119.05 1skr h GLU 635 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1skr h GLU 635 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1skr h GLU 635 CO 0.08 0.05 -0.10 1.63 -1.00 0.00 0.00 179.01 179.67 1skr n LYS 636 N -3.15 1.04 -0.03 2.33 5.02 -0.85 -4.92 118.16 117.60 1skr n LYS 636 Ca 0.01 -0.48 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 1skr n LYS 636 Cb 0.36 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1skr n LYS 636 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1skr n GLY 637 N 1.23 0.35 3.77 0.72 0.00 -0.52 -5.07 105.19 105.68 1skr n GLY 637 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1skr n GLY 637 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1skr s LEU 638 N 0.00 4.30 -0.17 0.99 1.02 -0.60 -4.97 118.68 119.25 1skr s LEU 638 Ca 0.00 2.33 -0.06 0.00 0.02 0.00 0.00 54.13 56.42 1skr s LEU 638 Cb 0.00 -3.90 -0.04 0.00 0.02 0.00 0.00 46.19 42.27 1skr s LEU 638 CO 0.00 -0.51 0.03 -0.75 0.02 0.00 0.00 176.35 175.14 1skr s LYS 639 N -2.06 3.84 -0.46 1.70 2.20 -1.26 -4.03 119.74 119.68 1skr s LYS 639 Ca 0.53 -0.39 -0.27 0.00 -0.36 0.00 0.00 55.97 55.48 1skr s LYS 639 Cb -0.31 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1skr s LYS 639 CO 0.40 0.30 1.01 -1.58 -0.36 0.00 0.00 175.35 175.12 1skr s HIS 640 N 0.28 2.88 0.00 4.03 5.65 -1.26 -0.78 115.29 126.09 1skr s HIS 640 Ca 0.02 0.54 0.00 0.00 0.25 0.00 0.00 55.06 55.87 1skr s HIS 640 Cb -0.13 -4.15 0.00 0.00 -1.18 0.00 0.00 32.58 27.12 1skr s HIS 640 CO 0.01 -1.16 0.00 0.41 -0.65 0.00 0.00 174.74 173.35 1skr n GLY 641 N 4.87 3.65 0.29 1.59 0.00 0.72 -4.88 105.19 111.43 1skr n GLY 641 Ca 0.09 -1.03 0.16 0.00 0.00 0.00 0.00 46.02 45.23 1skr n GLY 641 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1skr h TRP 642 N 0.00 0.00 -0.77 1.61 -0.00 -1.92 0.64 115.95 115.51 1skr h TRP 642 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 58.89 58.59 1skr h TRP 642 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 29.16 28.98 1skr h TRP 642 CO 0.00 0.06 0.38 -0.40 -0.00 0.00 0.00 178.44 178.49 1skr n ASP 643 N -3.45 4.27 0.00 -3.49 5.75 -1.26 -4.67 116.55 113.70 1skr n ASP 643 Ca -0.02 -3.24 0.00 0.00 -0.01 0.00 0.00 54.79 51.52 1skr n ASP 643 Cb 0.19 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.52 1skr n ASP 643 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1skr n GLY 644 N -0.44 4.26 0.02 6.12 0.00 0.22 -5.08 105.19 110.30 1skr n GLY 644 Ca 0.44 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.90 1skr n GLY 644 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1skr n ASP 645 N 0.00 4.01 -3.90 1.61 8.00 0.04 -4.83 116.55 121.48 1skr n ASP 645 Ca 0.00 -0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.40 1skr n ASP 645 Cb 0.00 0.46 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 1skr n ASP 645 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1skr s PHE 646 N -2.09 0.26 -0.21 1.24 -0.71 -1.05 -1.30 117.98 114.11 1skr s PHE 646 Ca -0.03 -0.64 -0.09 0.00 -1.04 0.00 0.00 56.93 55.13 1skr s PHE 646 Cb 0.01 -0.03 0.09 0.00 -1.21 0.00 0.00 43.02 41.87 1skr s PHE 646 CO 0.14 -0.65 0.48 0.00 -1.34 0.00 0.00 175.22 173.86 1skr s ALA 647 N -3.91 -1.34 0.12 1.99 0.00 -0.11 -0.20 121.76 118.30 1skr s ALA 647 Ca 0.11 1.74 -0.31 0.00 0.00 0.00 0.00 51.96 53.50 1skr s ALA 647 Cb 0.04 -1.30 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 1skr s ALA 647 CO -0.05 -0.60 1.54 0.71 0.00 0.00 0.00 175.76 177.35 1skr s TYR 648 N 2.21 2.95 -0.11 0.00 1.51 -1.26 -0.48 117.35 122.17 1skr s TYR 648 Ca -0.05 0.64 0.10 0.00 -1.01 0.00 0.00 57.07 56.74 1skr s TYR 648 Cb -0.10 -3.87 -0.14 0.00 -0.11 0.00 0.00 41.96 37.74 1skr s TYR 648 CO -0.15 -3.24 0.03 -1.33 -1.11 0.00 0.00 175.55 169.75 1skr n MET 649 N 4.39 2.05 -3.55 -0.62 2.81 -0.47 -4.59 117.12 117.14 1skr n MET 649 Ca 0.14 -0.00 -0.14 0.00 -1.81 0.00 0.00 57.70 55.88 1skr n MET 649 Cb 0.40 -1.29 -0.06 0.00 -0.71 0.00 0.00 33.22 31.56 1skr n MET 649 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1skr s ALA 650 N -2.28 -1.85 -0.22 3.04 0.00 -1.13 -4.45 121.76 114.88 1skr s ALA 650 Ca -0.06 1.44 -0.01 0.00 0.00 0.00 0.00 51.96 53.33 1skr s ALA 650 Cb 0.03 -0.33 0.06 0.00 0.00 0.00 0.00 23.12 22.88 1skr s ALA 650 CO 0.46 -0.34 0.01 -0.46 0.00 0.00 0.00 175.76 175.42 1skr s TRP 651 N -1.16 1.57 -0.85 0.00 -0.00 -1.26 -1.36 118.94 115.88 1skr s TRP 651 Ca -0.07 -1.24 0.01 0.00 -0.00 0.00 0.00 56.10 54.80 1skr s TRP 651 Cb -0.00 -1.27 0.24 0.00 -0.00 0.00 0.00 33.47 32.44 1skr s TRP 651 CO 0.06 -0.69 0.86 0.28 -0.00 0.00 0.00 176.95 177.46 1skr n VAL 652 N 4.90 3.09 0.00 5.86 0.31 0.11 -4.94 118.33 127.66 1skr n VAL 652 Ca -0.10 -5.25 0.00 0.00 -0.01 0.00 0.00 64.34 58.98 1skr n VAL 652 Cb 0.46 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.14 1skr n VAL 652 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1skr n HIS 653 N 1.75 0.00 -1.44 3.52 8.25 -1.26 -2.64 115.22 123.41 1skr n HIS 653 Ca 0.24 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.78 1skr n HIS 653 Cb 0.37 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.66 1skr n HIS 653 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1skr n ASP 654 N 1.95 1.90 -3.91 0.41 5.75 -1.26 -4.83 116.55 116.55 1skr n ASP 654 Ca 0.00 -3.52 -0.15 0.00 -0.01 0.00 0.00 54.79 51.11 1skr n ASP 654 Cb 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 41.12 39.46 1skr n ASP 654 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1skr s GLU 655 N -2.96 0.29 0.04 0.11 2.12 -1.08 -1.37 118.70 115.85 1skr s GLU 655 Ca 0.35 -0.10 0.06 0.00 0.36 0.00 0.00 54.97 55.64 1skr s GLU 655 Cb 0.33 -0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.39 1skr s GLU 655 CO -0.03 0.05 -0.18 0.96 -0.54 0.00 0.00 175.26 175.51 1skr s ILE 656 N 0.06 1.44 -0.16 -3.70 -4.36 -0.56 0.07 121.20 113.99 1skr s ILE 656 Ca -0.00 -1.12 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 1skr s ILE 656 Cb -0.03 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.43 1skr s ILE 656 CO -0.00 0.12 -0.16 -1.10 0.24 0.00 0.00 174.94 174.04 1skr s GLN 657 N -1.17 2.56 -0.09 0.37 -1.52 -0.47 -1.71 119.66 117.63 1skr s GLN 657 Ca 0.05 -0.66 0.03 0.00 -1.95 0.00 0.00 55.36 52.84 1skr s GLN 657 Cb -0.08 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.43 1skr s GLN 657 CO 0.02 -0.23 -0.21 0.08 -0.25 0.00 0.00 175.29 174.70 1skr s VAL 658 N 1.41 1.82 0.17 1.09 1.01 0.41 -1.37 120.40 124.94 1skr s VAL 658 Ca 0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 1skr s VAL 658 Cb -0.13 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.59 1skr s VAL 658 CO -0.12 0.51 0.99 -0.83 0.00 0.00 0.00 175.10 175.65 1skr s GLY 659 N 0.44 3.02 -0.04 4.51 0.00 0.37 -0.74 107.32 114.88 1skr s GLY 659 Ca -0.17 0.65 0.02 0.00 0.00 0.00 0.00 44.72 45.22 1skr s GLY 659 CO 0.07 1.41 -0.10 0.00 0.00 0.00 0.00 173.10 174.48 1skr h ARG 661 N 6.68 0.04 -4.03 0.00 2.43 -1.47 0.37 114.38 118.41 1skr h ARG 661 Ca -0.34 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.71 1skr h ARG 661 Cb 1.17 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.58 1skr h ARG 661 CO 0.48 0.03 -0.41 0.95 -1.51 0.00 0.00 179.97 179.50 1skr s THR 662 N -5.09 0.08 0.33 0.20 -4.23 -1.26 -4.65 115.64 101.02 1skr s THR 662 Ca -0.05 -1.53 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1skr s THR 662 Cb 0.18 -1.87 0.10 0.00 1.34 0.00 0.00 72.50 72.25 1skr s THR 662 CO 0.69 -0.36 1.80 -0.33 -0.54 0.00 0.00 174.62 175.88 1skr h GLU 663 N 2.64 0.32 -0.54 3.99 5.08 -1.96 -1.44 114.58 122.67 1skr h GLU 663 Ca -0.33 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1skr h GLU 663 Cb 1.22 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1skr h GLU 663 CO 0.52 0.54 0.18 1.49 -1.00 0.00 0.00 179.01 180.73 1skr h GLU 664 N 0.29 0.84 -0.48 2.33 4.57 -1.98 -0.30 114.58 119.85 1skr h GLU 664 Ca 0.05 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 57.96 1skr h GLU 664 Cb 0.57 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 1skr h GLU 664 CO 0.04 0.76 -0.09 0.82 -1.18 0.00 0.00 179.01 179.36 1skr h ILE 665 N 0.75 1.26 -0.74 2.32 2.04 -1.85 -2.01 117.51 119.27 1skr h ILE 665 Ca 0.18 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1skr h ILE 665 Cb 0.26 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1skr h ILE 665 CO -0.01 0.41 0.31 0.00 0.00 0.00 0.00 178.15 178.86 1skr h ALA 666 N 1.12 1.14 -0.52 1.87 0.00 -0.82 -0.50 119.26 121.55 1skr h ALA 666 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1skr h ALA 666 Cb 0.59 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1skr h ALA 666 CO 0.04 0.62 0.25 0.37 0.00 0.00 0.00 179.25 180.53 1skr h GLN 667 N 1.07 0.75 -0.46 0.00 4.15 -0.62 -2.06 115.11 117.94 1skr h GLN 667 Ca 0.25 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.46 1skr h GLN 667 Cb 0.18 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1skr h GLN 667 CO -0.02 0.62 -0.11 0.28 -1.93 0.00 0.00 178.83 177.67 1skr h VAL 668 N 0.70 1.26 -0.40 2.39 2.07 -0.86 -1.81 116.25 119.60 1skr h VAL 668 Ca 0.18 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1skr h VAL 668 Cb 0.11 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1skr h VAL 668 CO -0.02 0.41 0.25 0.58 0.02 0.00 0.00 177.57 178.81 1skr h VAL 669 N 0.76 1.12 -0.03 2.57 2.07 -0.87 0.34 116.25 122.21 1skr h VAL 669 Ca 0.13 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1skr h VAL 669 Cb 0.61 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1skr h VAL 669 CO 0.04 0.12 0.02 0.40 0.02 0.00 0.00 177.57 178.16 1skr h ILE 670 N 0.53 1.05 -0.73 4.57 2.04 -1.22 0.46 117.51 124.21 1skr h ILE 670 Ca 0.14 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1skr h ILE 670 Cb -0.02 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1skr h ILE 670 CO -0.03 0.04 0.29 -0.33 0.00 0.00 0.00 178.15 178.12 1skr h GLU 671 N -0.02 1.09 -0.56 2.37 5.08 -1.08 -2.67 114.58 118.80 1skr h GLU 671 Ca 0.01 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.08 1skr h GLU 671 Cb 0.05 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1skr h GLU 671 CO -0.00 0.90 -0.01 1.15 -1.00 0.00 0.00 179.01 180.05 1skr h THR 672 N 1.05 1.27 -0.35 1.13 2.02 -0.17 -2.48 112.91 115.38 1skr h THR 672 Ca 0.24 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1skr h THR 672 Cb 0.22 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1skr h THR 672 CO -0.02 0.41 0.22 0.00 0.37 0.00 0.00 175.52 176.50 1skr h ALA 673 N 0.96 1.74 -0.21 6.16 0.00 -0.64 -0.71 119.26 126.56 1skr h ALA 673 Ca 0.16 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1skr h ALA 673 Cb 0.56 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1skr h ALA 673 CO 0.03 0.24 -0.66 0.37 0.00 0.00 0.00 179.25 179.23 1skr h GLN 674 N 0.48 0.78 -0.51 0.00 5.75 -1.21 -2.66 115.11 117.74 1skr h GLN 674 Ca 0.13 -0.56 -0.08 0.00 -0.15 0.00 0.00 58.65 57.99 1skr h GLN 674 Cb -0.04 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1skr h GLN 674 CO -0.03 1.18 -0.01 0.93 -2.65 0.00 0.00 178.83 178.26 1skr h GLU 675 N 0.57 0.90 -0.93 1.69 5.08 -0.93 -2.55 114.58 118.41 1skr h GLU 675 Ca -0.02 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1skr h GLU 675 Cb 1.27 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1skr h GLU 675 CO 0.14 0.93 0.54 0.00 -1.00 0.00 0.00 179.01 179.62 1skr h ALA 676 N 0.94 1.20 -0.42 3.43 0.00 -1.15 -0.87 119.26 122.38 1skr h ALA 676 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1skr h ALA 676 Cb 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1skr h ALA 676 CO 0.03 0.67 0.12 1.98 0.00 0.00 0.00 179.25 182.05 1skr h MET 677 N 1.29 0.66 -0.33 0.00 1.85 -1.29 0.69 114.93 117.80 1skr h MET 677 Ca 0.33 -0.15 -0.05 0.00 -0.61 0.00 0.00 59.70 59.22 1skr h MET 677 Cb -0.02 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 31.90 1skr h MET 677 CO -0.06 0.66 -0.00 0.00 -0.40 0.00 0.00 176.91 177.11 1skr h ARG 678 N 0.54 0.51 -0.27 0.39 2.47 -1.18 -1.02 114.38 115.82 1skr h ARG 678 Ca 0.14 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.71 1skr h ARG 678 Cb 0.28 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1skr h ARG 678 CO -0.00 0.54 0.02 2.35 0.56 0.00 0.00 179.97 183.44 1skr h TRP 679 N 0.49 0.50 -0.35 3.04 7.01 -0.65 -1.64 115.95 124.35 1skr h TRP 679 Ca 0.11 -0.08 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1skr h TRP 679 Cb 0.32 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1skr h TRP 679 CO 0.01 0.59 0.22 0.28 -2.79 0.00 0.00 178.44 176.75 1skr h VAL 680 N 0.26 1.10 -0.93 2.65 2.07 -0.32 0.18 116.25 121.26 1skr h VAL 680 Ca 0.08 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.45 1skr h VAL 680 Cb 0.38 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1skr h VAL 680 CO 0.01 0.10 0.61 1.23 0.02 0.00 0.00 177.57 179.54 1skr h GLY 681 N 0.46 1.38 1.07 2.17 0.00 -1.07 -2.04 103.07 105.04 1skr h GLY 681 Ca 0.13 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.83 1skr h GLY 681 CO -0.03 0.30 -0.66 -1.80 0.00 0.00 0.00 176.54 174.36 1skr h ASP 682 N 1.06 0.85 -0.98 0.19 3.58 -0.92 0.91 116.42 121.11 1skr h ASP 682 Ca 0.40 -0.62 0.14 0.00 0.42 0.00 0.00 57.03 57.37 1skr h ASP 682 Cb 0.21 -0.25 -0.09 0.00 1.72 0.00 0.00 39.33 40.92 1skr h ASP 682 CO -0.16 1.33 0.61 -0.74 -2.88 0.00 0.00 179.24 177.40 1skr h HIS 683 N 0.42 1.09 -0.64 0.28 2.76 0.02 -1.54 115.15 117.54 1skr h HIS 683 Ca -0.04 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 1skr h HIS 683 Cb 1.29 -0.34 -0.16 0.00 1.55 0.00 0.00 27.41 29.75 1skr h HIS 683 CO 0.09 0.38 0.25 0.91 -1.30 0.00 0.00 177.93 178.26 1skr n TRP 684 N -4.68 2.05 -4.42 5.26 8.01 -0.86 -4.95 117.44 117.85 1skr n TRP 684 Ca 0.20 -1.47 -0.37 0.00 -1.31 0.00 0.00 57.50 54.55 1skr n TRP 684 Cb 0.41 -0.66 -0.09 0.00 -2.01 0.00 0.00 31.31 28.96 1skr n TRP 684 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.69 176.77 1skr n ASN 685 N -0.77 -0.36 -4.76 -0.99 3.02 -0.58 -4.82 115.26 106.00 1skr n ASN 685 Ca 0.42 -1.26 -0.41 0.00 -0.03 0.00 0.00 54.58 53.29 1skr n ASN 685 Cb 1.31 -1.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.85 1skr n ASN 685 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1skr s PHE 686 N -3.85 2.82 -2.03 3.10 5.36 0.30 -4.90 117.98 118.78 1skr s PHE 686 Ca 0.39 0.99 0.15 0.00 -0.96 0.00 0.00 56.93 57.50 1skr s PHE 686 Cb -0.23 -3.95 0.80 0.00 -0.34 0.00 0.00 43.02 39.30 1skr s PHE 686 CO 1.01 -3.04 1.52 0.54 -1.46 0.00 0.00 175.22 173.80 1skr n ARG 687 N 1.73 1.12 -3.86 10.12 5.12 -1.26 -4.71 116.66 124.93 1skr n ARG 687 Ca 0.05 -0.19 -0.15 0.00 -1.93 0.00 0.00 57.85 55.64 1skr n ARG 687 Cb 0.39 -1.24 -0.16 0.00 -1.16 0.00 0.00 32.46 30.29 1skr n ARG 687 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1skr s LEU 689 N 0.84 4.33 -0.08 0.00 2.96 -1.26 -4.97 118.68 120.50 1skr s LEU 689 Ca -0.08 3.02 -0.02 0.00 -0.22 0.00 0.00 54.13 56.84 1skr s LEU 689 Cb -0.11 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 42.89 1skr s LEU 689 CO -0.02 -0.90 0.01 -0.76 -1.32 0.00 0.00 176.35 173.35 1skr s LEU 690 N -1.45 3.59 0.26 -0.68 1.43 -1.26 -5.05 118.68 115.52 1skr s LEU 690 Ca 0.57 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 1skr s LEU 690 Cb -0.47 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1skr s LEU 690 CO 0.57 0.37 0.11 -1.81 0.23 0.00 0.00 176.35 175.82 1skr s ASP 691 N -0.96 1.12 0.04 2.29 1.01 -1.26 -4.50 116.67 114.41 1skr s ASP 691 Ca 0.14 -1.42 -0.04 0.00 0.71 0.00 0.00 52.55 51.94 1skr s ASP 691 Cb -0.11 0.24 -0.02 0.00 1.01 0.00 0.00 42.92 44.04 1skr s ASP 691 CO 0.03 -0.78 0.05 0.42 0.21 0.00 0.00 175.17 175.11 1skr s THR 692 N -3.78 0.15 -0.09 -1.27 -4.23 -1.26 -1.66 115.64 103.50 1skr s THR 692 Ca 0.38 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.66 1skr s THR 692 Cb 0.07 -1.00 0.01 0.00 1.34 0.00 0.00 72.50 72.92 1skr s THR 692 CO 0.14 -0.69 -0.19 -0.70 -0.54 0.00 0.00 174.62 172.64 1skr s GLU 693 N -2.88 2.47 0.15 3.99 2.12 -0.24 -4.85 118.70 119.45 1skr s GLU 693 Ca -0.03 -0.68 0.09 0.00 0.36 0.00 0.00 54.97 54.72 1skr s GLU 693 Cb 0.00 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1skr s GLU 693 CO -0.06 0.10 -0.17 0.20 -0.54 0.00 0.00 175.26 174.79 1skr s GLY 694 N 0.53 1.70 -0.00 -1.50 0.00 -1.26 -1.03 107.32 105.76 1skr s GLY 694 Ca -0.16 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1skr s GLY 694 CO 0.06 -1.45 0.00 0.54 0.00 0.00 0.00 173.10 172.25 1skr s LYS 695 N -2.45 0.01 -0.09 2.90 1.02 0.16 -4.96 119.74 116.32 1skr s LYS 695 Ca 0.20 0.02 0.01 0.00 0.02 0.00 0.00 55.97 56.22 1skr s LYS 695 Cb -0.09 -0.04 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1skr s LYS 695 CO 0.11 -0.02 -0.10 1.41 -0.92 0.00 0.00 175.35 175.83 1skr s MET 696 N 0.13 2.94 -0.01 1.68 -2.45 -1.26 0.22 119.30 120.56 1skr s MET 696 Ca -0.01 -0.62 -0.17 0.00 -1.25 0.00 0.00 55.69 53.64 1skr s MET 696 Cb -0.02 -2.57 0.05 0.00 1.25 0.00 0.00 34.83 33.54 1skr s MET 696 CO -0.00 0.49 0.75 0.41 1.05 0.00 0.00 175.02 177.72 1skr n GLY 697 N 2.73 0.42 0.14 2.11 0.00 -0.27 -4.87 105.19 105.45 1skr n GLY 697 Ca -0.18 -0.97 0.07 0.00 0.00 0.00 0.00 46.02 44.95 1skr n GLY 697 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1skr h PRO 698 N 0.00 0.00 -3.89 1.61 0.13 -1.91 0.25 132.00 128.19 1skr h PRO 698 Ca -0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.76 1skr h PRO 698 Cb 0.70 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.77 1skr h PRO 698 CO 0.19 0.18 -0.07 0.54 -0.23 0.00 0.00 178.00 178.60 1skr s ASN 699 N -5.90 0.83 0.50 1.44 2.20 -1.26 -1.54 114.94 111.22 1skr s ASN 699 Ca 0.02 -1.47 0.26 0.00 -0.94 0.00 0.00 52.86 50.73 1skr s ASN 699 Cb 0.08 0.73 1.32 0.00 -2.00 0.00 0.00 41.25 41.38 1skr s ASN 699 CO 0.76 -1.43 2.01 -0.25 -2.94 0.00 0.00 177.10 175.25 1skr h TRP 700 N 2.05 0.00 -0.42 1.54 2.91 -0.81 -0.51 115.95 120.71 1skr h TRP 700 Ca -0.29 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.64 1skr h TRP 700 Cb 1.24 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.87 1skr h TRP 700 CO 1.62 0.15 -0.08 0.00 -1.03 0.00 0.00 178.44 179.10 1skr h ALA 701 N 1.85 1.08 0.00 2.65 0.00 -1.80 -3.15 119.26 119.89 1skr h ALA 701 Ca -0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.32 1skr h ALA 701 Cb 0.44 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1skr h ALA 701 CO 0.02 0.57 -1.81 -0.89 0.00 0.00 0.00 179.25 177.14 1skr n ILE 702 N -4.19 1.58 -0.05 0.00 5.41 -0.98 -4.34 119.36 116.79 1skr n ILE 702 Ca 0.02 -0.80 -0.03 0.00 1.00 0.00 0.00 62.75 62.93 1skr n ILE 702 Cb 0.34 -0.96 0.16 0.00 -0.71 0.00 0.00 39.64 38.47 1skr n ILE 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55