#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kgy h LEU -4 N 0.00 0.00 -2.23 1.20 3.38 -2.09 -2.68 115.31 112.90 3kgy h LEU -4 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kgy h LEU -4 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3kgy h LEU -4 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 3kgy n TYR -3 N -3.04 0.36 -0.34 1.13 4.01 -1.26 -4.68 117.16 113.34 3kgy n TYR -3 Ca -0.02 -0.24 0.21 0.00 -0.16 0.00 0.00 57.90 57.68 3kgy n TYR -3 Cb 0.11 -0.01 0.43 0.00 -0.31 0.00 0.00 39.34 39.56 3kgy n TYR -3 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3kgy h PHE -2 N 3.33 0.97 0.00 -0.72 3.57 -1.95 0.90 116.94 123.03 3kgy h PHE -2 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kgy h PHE -2 Cb 0.80 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3kgy h PHE -2 CO 0.18 -0.04 -0.08 1.96 -2.23 0.00 0.00 178.31 178.10 3kgy h GLN -1 N 0.47 0.00 -2.13 1.11 4.20 -1.85 -3.44 115.11 113.47 3kgy h GLN -1 Ca 0.68 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.94 3kgy h GLN -1 Cb 1.44 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.08 3kgy h GLN -1 CO -0.52 0.08 0.61 0.41 -0.67 0.00 0.00 178.83 178.73 3kgy n GLY 0 N -0.07 4.09 3.58 3.46 0.00 0.31 -5.05 105.19 111.51 3kgy n GLY 0 Ca 0.00 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 3kgy n GLY 0 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgy s SER 2 N 0.89 4.99 0.15 1.61 0.01 -1.26 -5.02 113.70 115.07 3kgy s SER 2 Ca 0.61 -0.01 -0.20 0.00 1.31 0.00 0.00 55.95 57.66 3kgy s SER 2 Cb 0.33 -1.61 -0.07 0.00 0.21 0.00 0.00 66.02 64.87 3kgy s SER 2 CO -0.14 0.26 0.66 -0.54 0.41 0.00 0.00 173.24 173.89 3kgy s LYS 3 N -0.19 4.26 -0.37 12.44 -0.14 -1.26 -4.82 119.74 129.66 3kgy s LYS 3 Ca 0.04 0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 55.35 3kgy s LYS 3 Cb -0.13 -3.09 -0.00 0.00 -1.68 0.00 0.00 37.83 32.93 3kgy s LYS 3 CO 0.02 0.53 0.26 0.08 -0.76 0.00 0.00 175.35 175.48 3kgy s VAL 4 N -1.29 5.22 0.13 3.17 1.01 -1.26 -0.88 120.40 126.50 3kgy s VAL 4 Ca 0.36 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3kgy s VAL 4 Cb -0.19 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3kgy s VAL 4 CO 0.21 -0.13 -0.14 0.72 0.00 0.00 0.00 175.10 175.76 3kgy s PHE 5 N 1.70 1.43 -0.10 5.22 -0.71 -0.39 -0.31 117.98 124.81 3kgy s PHE 5 Ca 0.05 -0.56 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3kgy s PHE 5 Cb -0.18 -0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 40.88 3kgy s PHE 5 CO 0.10 0.16 -0.16 0.08 -1.34 0.00 0.00 175.22 174.06 3kgy s VAL 6 N -2.20 2.81 -0.22 -2.49 1.01 -0.52 -0.61 120.40 118.18 3kgy s VAL 6 Ca 0.10 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3kgy s VAL 6 Cb -0.05 -2.14 0.07 0.00 0.00 0.00 0.00 36.38 34.27 3kgy s VAL 6 CO 0.03 0.55 0.06 0.21 0.00 0.00 0.00 175.10 175.95 3kgy s ASN 7 N 0.10 3.11 0.16 3.32 3.84 -1.25 -0.10 114.94 124.12 3kgy s ASN 7 Ca -0.07 -0.99 0.01 0.00 0.21 0.00 0.00 52.86 52.01 3kgy s ASN 7 Cb -0.15 -0.58 -0.04 0.00 -0.55 0.00 0.00 41.25 39.93 3kgy s ASN 7 CO 0.05 -0.34 0.03 0.27 -2.79 0.00 0.00 177.10 174.32 3kgy s ILE 8 N 1.87 0.45 -0.14 -5.21 -5.25 -0.38 -4.99 121.20 107.56 3kgy s ILE 8 Ca 0.02 -1.96 -0.04 0.00 -0.99 0.00 0.00 60.65 57.68 3kgy s ILE 8 Cb -0.17 -2.13 -0.03 0.00 2.95 0.00 0.00 42.46 43.07 3kgy s ILE 8 CO -0.14 -0.43 0.02 -0.44 -1.79 0.00 0.00 174.94 172.16 3kgy s SER 9 N -3.14 5.34 -0.04 4.36 0.01 -1.26 -1.01 113.70 117.97 3kgy s SER 9 Ca 0.25 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.62 3kgy s SER 9 Cb 0.07 -1.75 0.01 0.00 0.21 0.00 0.00 66.02 64.56 3kgy s SER 9 CO 0.04 0.27 -0.09 -0.22 0.41 0.00 0.00 173.24 173.65 3kgy s LEU 10 N -0.19 1.62 0.95 2.44 2.96 -0.18 -4.90 118.68 121.37 3kgy s LEU 10 Ca 0.06 -0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 3kgy s LEU 10 Cb -0.12 -0.60 0.16 0.00 0.50 0.00 0.00 46.19 46.13 3kgy s LEU 10 CO 0.02 0.02 1.09 -0.94 -1.32 0.00 0.00 176.35 175.23 3kgy s SER 11 N 0.52 2.82 0.37 3.68 1.04 -0.52 -0.94 113.70 120.67 3kgy s SER 11 Ca -0.09 1.74 0.06 0.00 0.48 0.00 0.00 55.95 58.15 3kgy s SER 11 Cb -0.12 -2.36 0.76 0.00 0.10 0.00 0.00 66.02 64.40 3kgy s SER 11 CO 0.01 -3.09 1.99 0.25 0.98 0.00 0.00 173.24 173.38 3kgy h LEU 12 N -1.86 0.62 -0.76 2.42 5.85 0.39 0.30 115.31 122.28 3kgy h LEU 12 Ca -0.50 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 3kgy h LEU 12 Cb 1.29 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3kgy h LEU 12 CO 0.49 0.42 0.00 -0.90 -0.34 0.00 0.00 178.44 178.11 3kgy n ASP 13 N -4.47 1.08 0.00 1.25 5.75 -1.26 -4.93 116.55 113.98 3kgy n ASP 13 Ca 0.08 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3kgy n ASP 13 Cb 0.17 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 3kgy n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgy n GLY 14 N 0.74 0.77 0.00 6.12 0.00 0.10 -5.00 105.19 107.92 3kgy n GLY 14 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3kgy n GLY 14 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kgy n PHE 15 N -2.76 -1.01 -1.36 1.61 3.72 -1.26 -1.51 117.46 114.89 3kgy n PHE 15 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3kgy n PHE 15 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 3kgy n PHE 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kgy n ALA 17 N -3.00 -2.63 -1.98 4.37 0.00 -1.25 -1.44 120.51 114.57 3kgy n ALA 17 Ca 0.00 0.21 -0.30 0.00 0.00 0.00 0.00 53.44 53.35 3kgy n ALA 17 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3kgy n ALA 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kgy s PRO 18 N -1.12 3.63 0.26 0.00 0.04 -1.26 -1.26 135.00 135.28 3kgy s PRO 18 Ca 0.61 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 3kgy s PRO 18 Cb -0.70 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3kgy s PRO 18 CO 0.60 -0.42 1.42 -2.00 0.04 0.00 0.00 177.00 176.64 3kgy s GLU 19 N -4.90 4.28 0.00 4.56 2.12 -1.25 -4.75 118.70 118.75 3kgy s GLU 19 Ca 0.53 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.15 3kgy s GLU 19 Cb -0.11 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3kgy s GLU 19 CO 0.48 -0.39 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 3kgy n GLY 20 N 2.02 0.76 0.00 -1.50 0.00 -1.26 -4.55 105.19 100.65 3kgy n GLY 20 Ca 0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3kgy n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kgy n ASP 22 N 0.00 0.00 0.00 1.61 5.68 -1.26 -4.56 116.55 118.02 3kgy n ASP 22 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kgy n ASP 22 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3kgy n ASP 22 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kgy n ALA 24 N -0.30 0.00 -0.69 2.12 0.00 -1.26 -1.25 120.51 119.12 3kgy n ALA 24 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3kgy n ALA 24 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 3kgy n ALA 24 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kgy n HIS 25 N 0.00 0.61 0.00 0.00 8.25 -1.26 -4.69 115.22 118.12 3kgy n HIS 25 Ca 0.00 -0.76 0.04 0.00 -0.26 0.00 0.00 57.72 56.74 3kgy n HIS 25 Cb 0.00 -0.19 0.41 0.00 1.12 0.00 0.00 29.99 31.33 3kgy n HIS 25 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3kgy h PHE 26 N 1.48 0.52 -0.37 4.41 3.57 -1.47 -0.31 116.94 124.77 3kgy h PHE 26 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kgy h PHE 26 Cb 1.11 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3kgy h PHE 26 CO 0.32 0.34 0.00 -1.13 -2.23 0.00 0.00 178.31 175.61 3kgy n SER 27 N -4.46 2.82 -3.62 0.41 3.41 -1.26 -4.49 113.62 106.43 3kgy n SER 27 Ca 0.03 -1.92 -0.27 0.00 -0.26 0.00 0.00 58.87 56.45 3kgy n SER 27 Cb 0.07 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.68 3kgy n SER 27 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3kgy n ASP 28 N 1.06 2.36 0.04 4.04 2.03 -0.13 -4.96 116.55 120.99 3kgy n ASP 28 Ca 0.18 -3.08 0.05 0.00 0.52 0.00 0.00 54.79 52.46 3kgy n ASP 28 Cb 0.49 -0.69 0.24 0.00 -0.72 0.00 0.00 41.12 40.44 3kgy n ASP 28 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kgy n PRO 29 N 1.76 0.04 0.09 -0.67 -0.04 -1.26 -1.83 135.00 133.10 3kgy n PRO 29 Ca 0.24 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.26 3kgy n PRO 29 Cb 0.40 -1.61 0.43 0.00 -0.04 0.00 0.00 33.50 32.69 3kgy n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kgy n THR 30 N -1.69 0.54 -1.86 0.52 -2.24 -1.26 -1.15 114.28 107.13 3kgy n THR 30 Ca 0.01 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3kgy n THR 30 Cb 0.09 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 3kgy n THR 30 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kgy s TYR 31 N -3.10 1.67 -1.38 4.78 5.04 -0.76 -1.12 117.35 122.48 3kgy s TYR 31 Ca 0.11 0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.75 3kgy s TYR 31 Cb 0.13 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.39 3kgy s TYR 31 CO 0.58 -4.42 0.00 1.63 -1.34 0.00 0.00 175.55 172.00 3kgy n LYS 32 N 7.47 -1.75 -4.26 4.97 5.02 -1.26 -1.65 118.16 126.70 3kgy n LYS 32 Ca 0.19 0.77 -0.35 0.00 -2.02 0.00 0.00 58.31 56.90 3kgy n LYS 32 Cb 0.43 -5.24 -0.04 0.00 -0.02 0.00 0.00 35.03 30.15 3kgy n LYS 32 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kgy n ASN 33 N -1.33 -2.00 -0.08 4.39 3.02 -0.27 -4.87 115.26 114.11 3kgy n ASN 33 Ca -0.16 -1.09 -0.11 0.00 -0.03 0.00 0.00 54.58 53.19 3kgy n ASN 33 Cb 0.56 -2.44 0.02 0.00 -0.61 0.00 0.00 39.78 37.32 3kgy n ASN 33 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 3kgy h TRP 34 N -1.47 0.98 -0.83 3.10 5.08 -1.16 -2.96 115.95 118.69 3kgy h TRP 34 Ca -0.61 -0.29 -0.02 0.00 1.08 0.00 0.00 58.89 59.05 3kgy h TRP 34 Cb 1.39 -0.21 -0.04 0.00 -3.00 0.00 0.00 29.16 27.30 3kgy h TRP 34 CO 0.61 1.08 0.43 0.78 -1.28 0.00 0.00 178.44 180.06 3kgy h GLY 35 N 0.87 1.25 1.33 11.11 0.00 -1.41 0.56 103.07 116.77 3kgy h GLY 35 Ca 0.06 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 3kgy h GLY 35 CO 0.09 0.56 -0.27 0.00 0.00 0.00 0.00 176.54 176.92 3kgy h ALA 36 N 1.23 0.83 -0.37 3.60 0.00 -1.77 0.23 119.26 123.02 3kgy h ALA 36 Ca 0.29 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 3kgy h ALA 36 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kgy h ALA 36 CO -0.04 0.64 -0.20 0.87 0.00 0.00 0.00 179.25 180.52 3kgy h LYS 37 N 0.66 0.79 -0.35 0.00 1.57 -1.24 -1.33 116.57 116.67 3kgy h LYS 37 Ca 0.08 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3kgy h LYS 37 Cb 0.79 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3kgy h LYS 37 CO 0.07 0.98 0.20 2.35 -0.57 0.00 0.00 179.45 182.48 3kgy h TRP 38 N 0.59 0.47 -0.78 -1.35 2.91 -0.78 -2.58 115.95 114.43 3kgy h TRP 38 Ca 0.08 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.16 3kgy h TRP 38 Cb 0.75 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.19 3kgy h TRP 38 CO 0.06 0.35 0.45 0.78 -1.03 0.00 0.00 178.44 179.06 3kgy h GLY 39 N 0.45 1.17 1.45 2.65 0.00 -0.77 -2.03 103.07 105.99 3kgy h GLY 39 Ca 0.12 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.14 3kgy h GLY 39 CO -0.02 0.19 0.37 0.00 0.00 0.00 0.00 176.54 177.07 3kgy h ALA 40 N 1.40 1.61 0.00 3.60 0.00 -1.01 -0.86 119.26 124.00 3kgy h ALA 40 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3kgy h ALA 40 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3kgy h ALA 40 CO -0.20 0.36 0.00 -0.11 0.00 0.00 0.00 179.25 179.30 3kgy n LEU 41 N -4.45 0.27 0.00 0.00 7.94 -0.77 -4.69 117.00 115.30 3kgy n LEU 41 Ca 0.05 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 3kgy n LEU 41 Cb 0.05 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 43.87 3kgy n LEU 41 CO 0.36 0.07 0.00 0.00 -1.11 0.00 0.00 177.39 176.70 3kgy n ALA 43 N -0.15 0.00 -0.17 1.96 0.00 -0.33 -4.86 120.51 116.96 3kgy n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kgy n ALA 43 Cb 0.07 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.78 3kgy n ALA 43 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3kgy h TRP 44 N 0.00 0.86 0.16 0.00 5.08 -1.87 -2.01 115.95 118.17 3kgy h TRP 44 Ca 0.00 -0.00 -0.31 0.00 1.08 0.00 0.00 58.89 59.66 3kgy h TRP 44 Cb 0.00 -0.28 0.01 0.00 -3.00 0.00 0.00 29.16 25.89 3kgy h TRP 44 CO 0.00 0.58 -1.43 0.00 -1.28 0.00 0.00 178.44 176.31 3kgy h ALA 45 N 1.52 0.09 0.00 0.11 0.00 -1.98 -3.21 119.26 115.79 3kgy h ALA 45 Ca 0.24 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3kgy h ALA 45 Cb -0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kgy h ALA 45 CO -0.04 0.96 0.00 1.28 0.00 0.00 0.00 179.25 181.45 3kgy n LEU 46 N -3.56 0.31 0.12 0.00 4.77 -1.01 -2.10 117.00 115.53 3kgy n LEU 46 Ca -0.14 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 3kgy n LEU 46 Cb 1.05 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 42.04 3kgy n LEU 46 CO 0.54 -0.29 0.88 0.28 -1.33 0.00 0.00 177.39 177.47 3kgy h SER 47 N 0.00 0.00 -3.51 -1.43 0.02 -1.37 -3.42 113.55 103.84 3kgy h SER 47 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3kgy h SER 47 Cb 0.39 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3kgy h SER 47 CO 0.00 0.00 0.38 -1.10 -1.14 0.00 0.00 176.83 174.97 3kgy s GLN 48 N -3.13 4.65 0.24 3.45 -1.52 -0.89 -1.09 119.66 121.37 3kgy s GLN 48 Ca 0.10 1.47 -0.06 0.00 -1.95 0.00 0.00 55.36 54.92 3kgy s GLN 48 Cb 0.11 -3.39 0.45 0.00 -0.22 0.00 0.00 33.01 29.96 3kgy s GLN 48 CO 0.59 0.12 1.67 0.37 -0.25 0.00 0.00 175.29 177.79 3kgy h GLN 49 N 5.91 0.20 -0.63 2.91 -0.00 -1.35 -0.89 115.11 121.25 3kgy h GLN 49 Ca -0.42 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.20 3kgy h GLN 49 Cb 1.21 -0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.62 3kgy h GLN 49 CO 0.73 0.13 0.33 -0.92 0.00 0.00 0.00 178.83 179.10 3kgy h TYR 50 N 0.20 0.88 -0.02 3.99 3.20 -1.88 -1.12 116.97 122.23 3kgy h TYR 50 Ca 0.41 -0.03 -0.23 0.00 3.14 0.00 0.00 58.73 62.02 3kgy h TYR 50 Cb 0.71 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kgy h TYR 50 CO -0.31 0.64 -0.93 -0.07 -1.64 0.00 0.00 178.16 175.85 3kgy h LEU 51 N 0.86 0.64 -0.75 2.82 3.38 -1.72 -0.87 115.31 119.65 3kgy h LEU 51 Ca 0.22 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kgy h LEU 51 Cb 0.06 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3kgy h LEU 51 CO -0.03 1.29 0.47 0.03 0.09 0.00 0.00 178.44 180.29 3kgy h ARG 52 N 0.29 0.89 -0.23 1.13 3.08 -0.95 0.76 114.38 119.36 3kgy h ARG 52 Ca -0.08 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3kgy h ARG 52 Cb 1.56 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 3kgy h ARG 52 CO 0.17 0.59 -0.22 1.49 -1.07 0.00 0.00 179.97 180.93 3kgy h GLU 53 N 0.92 0.56 -0.38 0.04 4.22 -1.12 -0.42 114.58 118.40 3kgy h GLU 53 Ca 0.31 -0.29 -0.13 0.00 0.08 0.00 0.00 59.36 59.33 3kgy h GLU 53 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kgy h GLU 53 CO -0.12 0.88 -0.27 -0.22 -2.18 0.00 0.00 179.01 177.10 3kgy h LYS 54 N 0.26 0.80 -0.02 1.92 1.63 -0.81 -2.88 116.57 117.46 3kgy h LYS 54 Ca 0.04 -0.35 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 3kgy h LYS 54 Cb 0.77 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 3kgy h LYS 54 CO 0.06 0.97 -0.12 1.28 -3.45 0.00 0.00 179.45 178.19 3kgy n LEU 55 N -4.09 1.82 -3.65 5.20 4.77 0.23 -4.94 117.00 116.34 3kgy n LEU 55 Ca -0.00 -0.60 -0.21 0.00 -0.03 0.00 0.00 56.01 55.16 3kgy n LEU 55 Cb 0.46 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3kgy n LEU 55 CO 0.45 0.31 0.01 0.29 -1.33 0.00 0.00 177.39 177.12 3kgy n LYS 56 N 0.25 -5.52 0.03 3.23 5.02 -0.71 -4.89 118.16 115.57 3kgy n LYS 56 Ca 0.15 0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 57.06 3kgy n LYS 56 Cb 0.43 -5.40 -0.11 0.00 -0.02 0.00 0.00 35.03 29.92 3kgy n LYS 56 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3kgy h LEU 57 N -1.94 0.00 0.00 -0.35 3.38 -1.37 -3.50 115.31 111.53 3kgy h LEU 57 Ca -0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3kgy h LEU 57 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3kgy h LEU 57 CO 0.56 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.62 3kgy n GLY 58 N 1.43 -2.39 3.96 0.83 0.00 -1.24 -5.10 105.19 102.69 3kgy n GLY 58 Ca -0.08 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 3kgy n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kgy s THR 59 N -2.07 2.96 0.00 2.61 -4.23 -1.26 -4.19 115.64 109.47 3kgy s THR 59 Ca 0.00 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 3kgy s THR 59 Cb 0.00 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.71 3kgy s THR 59 CO 0.00 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 3kgy n GLY 60 N -2.36 -0.74 0.00 3.99 0.00 -1.26 -5.04 105.19 99.78 3kgy n GLY 60 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3kgy n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 61 N 0.00 2.62 3.77 -0.02 0.00 -1.26 -4.28 105.19 106.01 3kgy n GLY 61 Ca 0.00 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 3kgy n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kgy s GLU 62 N -1.85 3.87 0.31 1.61 2.02 -0.25 -4.41 118.70 120.00 3kgy s GLU 62 Ca 0.00 1.96 0.05 0.00 0.02 0.00 0.00 54.97 57.00 3kgy s GLU 62 Cb 0.00 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.57 3kgy s GLU 62 CO 0.00 -0.51 -0.00 0.95 0.02 0.00 0.00 175.26 175.72 3kgy s THR 63 N -1.39 1.47 -0.28 3.63 -4.23 -1.26 -1.23 115.64 112.35 3kgy s THR 63 Ca 0.60 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3kgy s THR 63 Cb -0.33 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3kgy s THR 63 CO 0.42 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 174.95 3kgy n GLY 64 N -0.65 0.50 0.37 3.99 0.00 -1.26 -4.76 105.19 103.37 3kgy n GLY 64 Ca -0.04 -2.27 -0.01 0.00 0.00 0.00 0.00 46.02 43.70 3kgy n GLY 64 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kgy h PRO 65 N 2.19 1.18 -0.45 1.61 0.11 -1.99 0.73 132.00 135.38 3kgy h PRO 65 Ca 0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3kgy h PRO 65 Cb 0.00 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.83 3kgy h PRO 65 CO 0.00 0.78 -0.05 0.28 -0.21 0.00 0.00 178.00 178.80 3kgy h VAL 66 N 1.21 1.27 -0.75 3.15 2.07 -1.97 -2.75 116.25 118.47 3kgy h VAL 66 Ca 0.33 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3kgy h VAL 66 Cb -0.13 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3kgy h VAL 66 CO -0.07 0.39 0.48 -1.13 0.02 0.00 0.00 177.57 177.26 3kgy h ASN 67 N 0.66 0.88 0.00 0.57 -1.24 -1.69 -1.42 115.58 113.34 3kgy h ASN 67 Ca 0.12 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.09 3kgy h ASN 67 Cb 0.57 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.40 3kgy h ASN 67 CO 0.03 0.65 0.00 0.47 -1.29 0.00 0.00 177.43 177.30 3kgy n ASP 68 N -4.54 0.80 0.00 1.15 8.00 0.19 -1.97 116.55 120.18 3kgy n ASP 68 Ca 0.07 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3kgy n ASP 68 Cb 0.03 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3kgy n ASP 68 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3kgy n VAL 70 N 0.77 0.00 -0.13 2.53 0.24 -0.54 -1.84 118.33 119.36 3kgy n VAL 70 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 3kgy n VAL 70 Cb 0.14 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 3kgy n VAL 70 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3kgy h ARG 71 N 0.00 0.57 -0.62 7.34 2.43 -1.67 -2.30 114.38 120.13 3kgy h ARG 71 Ca 0.00 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 3kgy h ARG 71 Cb 0.00 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3kgy h ARG 71 CO 0.00 0.48 0.35 1.25 -1.51 0.00 0.00 179.97 180.54 3kgy h HIS 72 N 0.51 0.84 -0.82 2.20 2.76 -1.65 -1.22 115.15 117.76 3kgy h HIS 72 Ca 0.14 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.36 3kgy h HIS 72 Cb 0.10 -0.27 -0.06 0.00 1.55 0.00 0.00 27.41 28.72 3kgy h HIS 72 CO -0.02 0.60 0.50 1.15 -1.30 0.00 0.00 177.93 178.86 3kgy h THR 73 N 0.84 1.01 0.03 6.26 2.02 -1.77 -0.18 112.91 121.12 3kgy h THR 73 Ca 0.22 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3kgy h THR 73 Cb 0.03 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 3kgy h THR 73 CO -0.04 0.16 -0.02 0.15 0.37 0.00 0.00 175.52 176.15 3kgy h PHE 74 N 0.90 -0.04 -0.02 3.16 3.57 -1.07 -3.32 116.94 120.12 3kgy h PHE 74 Ca 0.37 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.83 3kgy h PHE 74 Cb 0.20 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3kgy h PHE 74 CO -0.04 0.43 -0.17 0.93 -2.23 0.00 0.00 178.31 177.23 3kgy h GLU 75 N -0.53 0.02 0.00 1.11 5.08 -0.98 -2.56 114.58 116.72 3kgy h GLU 75 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kgy h GLU 75 Cb 0.49 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kgy h GLU 75 CO 0.01 0.20 0.00 0.07 -1.00 0.00 0.00 179.01 178.29 3kgy h ARG 76 N 0.02 0.00 -5.64 2.33 0.11 -1.13 -3.46 114.38 106.62 3kgy h ARG 76 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.50 3kgy h ARG 76 Cb 0.32 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.31 3kgy h ARG 76 CO 0.02 0.00 -0.12 0.99 0.10 0.00 0.00 179.97 180.96 3kgy s THR 77 N -3.30 5.17 -0.43 0.08 2.01 -0.97 -0.54 115.64 117.67 3kgy s THR 77 Ca 0.06 0.91 0.14 0.00 0.31 0.00 0.00 61.69 63.11 3kgy s THR 77 Cb 0.10 -3.81 -0.18 0.00 0.01 0.00 0.00 72.50 68.62 3kgy s THR 77 CO 0.49 0.28 0.49 0.61 -0.69 0.00 0.00 174.62 175.80 3kgy n GLY 78 N 3.51 -0.43 3.53 4.40 0.00 0.10 -4.81 105.19 111.50 3kgy n GLY 78 Ca -0.07 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.41 3kgy n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgy s ALA 79 N -2.55 -1.79 0.12 4.61 0.00 -1.12 -4.28 121.76 116.75 3kgy s ALA 79 Ca 0.02 1.39 0.11 0.00 0.00 0.00 0.00 51.96 53.47 3kgy s ALA 79 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 3kgy s ALA 79 CO 0.58 -0.36 -0.26 -1.01 0.00 0.00 0.00 175.76 174.70 3kgy s HIS 80 N -1.10 2.27 0.21 0.00 0.09 -0.87 -1.07 115.29 114.81 3kgy s HIS 80 Ca -0.09 -0.39 0.09 0.00 -0.00 0.00 0.00 55.06 54.67 3kgy s HIS 80 Cb -0.00 -1.25 -0.05 0.00 -0.00 0.00 0.00 32.58 31.28 3kgy s HIS 80 CO 0.08 0.30 -0.17 0.42 -0.00 0.00 0.00 174.74 175.38 3kgy s ILE 81 N -1.03 1.90 0.51 0.60 1.01 -0.03 -0.82 121.20 123.34 3kgy s ILE 81 Ca 0.13 -2.16 0.05 0.00 0.00 0.00 0.00 60.65 58.67 3kgy s ILE 81 Cb -0.10 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3kgy s ILE 81 CO 0.05 -0.48 0.27 -0.83 0.00 0.00 0.00 174.94 173.96 3kgy s GLY 83 N -3.16 2.51 0.17 6.18 0.00 0.32 -0.51 107.32 112.84 3kgy s GLY 83 Ca 0.22 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.76 3kgy s GLY 83 CO 0.08 -1.99 1.40 1.70 0.00 0.00 0.00 173.10 174.29 3kgy h LYS 84 N 1.01 0.19 -1.39 2.90 1.63 -1.88 -1.84 116.57 117.19 3kgy h LYS 84 Ca -0.40 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.20 3kgy h LYS 84 Cb 1.30 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 3kgy h LYS 84 CO 0.63 0.93 0.00 0.54 -3.45 0.00 0.00 179.45 178.10 3kgy n ARG 85 N -3.68 0.35 0.00 1.90 5.12 -1.26 -0.86 116.66 118.23 3kgy n ARG 85 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 3kgy n ARG 85 Cb 0.79 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.79 3kgy n ARG 85 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3kgy n PHE 87 N 0.72 0.00 -0.31 -1.55 7.35 -0.69 -2.19 117.46 120.78 3kgy n PHE 87 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3kgy n PHE 87 Cb 0.16 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.07 3kgy n PHE 87 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3kgy h GLU 88 N 0.00 1.12 -0.99 -4.13 5.08 -1.29 0.31 114.58 114.69 3kgy h GLU 88 Ca 0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3kgy h GLU 88 Cb 0.00 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 28.94 3kgy h GLU 88 CO 0.00 0.74 0.66 0.78 -1.00 0.00 0.00 179.01 180.19 3kgy h GLY 89 N 1.16 1.42 1.59 -3.84 0.00 -1.70 -2.92 103.07 98.77 3kgy h GLY 89 Ca 0.31 -0.51 -0.20 0.00 0.00 0.00 0.00 47.33 46.93 3kgy h GLY 89 CO -0.07 0.49 -0.83 -1.33 0.00 0.00 0.00 176.54 174.80 3kgy h GLY 90 N 1.32 0.42 0.42 4.60 0.00 -1.64 0.18 103.07 108.38 3kgy h GLY 90 Ca 0.37 -0.67 0.12 0.00 0.00 0.00 0.00 47.33 47.15 3kgy h GLY 90 CO -0.09 0.60 0.57 -2.09 0.00 0.00 0.00 176.54 175.53 3kgy h GLU 91 N 0.24 0.87 0.05 4.80 4.81 -0.22 0.25 114.58 125.36 3kgy h GLU 91 Ca -0.05 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3kgy h GLU 91 Cb 1.44 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3kgy h GLU 91 CO 0.14 0.57 -0.39 0.00 -0.73 0.00 0.00 179.01 178.61 3kgy h ARG 92 N 0.89 0.10 -0.00 1.92 2.47 -1.43 -3.41 114.38 114.91 3kgy h ARG 92 Ca 0.48 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 3kgy h ARG 92 Cb 0.51 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 3kgy h ARG 92 CO -0.28 1.08 -0.51 0.41 0.56 0.00 0.00 179.97 181.22 3kgy n GLY 93 N 1.62 -1.00 3.88 0.04 0.00 0.61 -4.90 105.19 105.45 3kgy n GLY 93 Ca -0.13 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 3kgy n GLY 93 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3kgy s TRP 94 N -2.86 3.43 0.96 1.61 0.51 0.83 -4.97 118.94 118.45 3kgy s TRP 94 Ca 0.14 0.90 -0.12 0.00 -2.12 0.00 0.00 56.10 54.91 3kgy s TRP 94 Cb 0.18 -2.30 0.16 0.00 -0.81 0.00 0.00 33.47 30.70 3kgy s TRP 94 CO 0.68 0.16 1.09 -1.25 -0.51 0.00 0.00 176.95 177.11 3kgy s PRO 95 N -3.16 0.75 0.25 4.98 0.04 -1.26 -4.90 135.00 131.70 3kgy s PRO 95 Ca 0.48 0.89 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 3kgy s PRO 95 Cb -0.11 -1.74 0.47 0.00 0.04 0.00 0.00 34.50 33.15 3kgy s PRO 95 CO 0.24 -2.61 1.77 1.49 0.04 0.00 0.00 177.00 177.93 3kgy h GLU 96 N -1.82 0.62 -5.98 4.56 4.81 -1.97 -3.05 114.58 111.74 3kgy h GLU 96 Ca -0.51 -0.04 -0.61 0.00 -0.13 0.00 0.00 59.36 58.07 3kgy h GLU 96 Cb 1.29 -0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 3kgy h GLU 96 CO 0.52 0.41 1.45 -2.00 -0.73 0.00 0.00 179.01 178.66 3kgy s GLU 97 N -6.00 3.61 0.62 1.92 2.12 -1.26 -4.07 118.70 115.63 3kgy s GLU 97 Ca -0.12 -1.23 -0.19 0.00 0.36 0.00 0.00 54.97 53.79 3kgy s GLU 97 Cb 0.20 -5.32 -0.02 0.00 0.26 0.00 0.00 34.13 29.26 3kgy s GLU 97 CO 0.78 -2.16 1.30 0.00 -0.54 0.00 0.00 175.26 174.63 3kgy s ALA 98 N 4.69 2.47 -0.27 6.30 0.00 -1.16 -4.88 121.76 128.91 3kgy s ALA 98 Ca 0.45 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 53.61 3kgy s ALA 98 Cb -0.00 -3.55 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3kgy s ALA 98 CO -0.09 -1.51 2.27 -0.35 0.00 0.00 0.00 175.76 176.07 3kgy n PRO 99 N -1.71 1.81 -0.02 0.00 -0.04 -1.26 -4.05 135.00 129.73 3kgy n PRO 99 Ca 0.15 -1.44 -0.04 0.00 -0.04 0.00 0.00 63.50 62.12 3kgy n PRO 99 Cb 0.48 -1.65 -0.01 0.00 -0.04 0.00 0.00 33.50 32.27 3kgy n PRO 99 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3kgy n PHE 100 N 0.76 0.00 -2.40 0.54 3.72 -1.26 -5.03 117.46 113.79 3kgy n PHE 100 Ca 0.30 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.51 3kgy n PHE 100 Cb 0.58 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.97 3kgy n PHE 100 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3kgy n HIS 101 N -3.27 -0.95 -4.08 1.38 8.25 -1.26 -4.97 115.22 110.32 3kgy n HIS 101 Ca -0.08 0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 3kgy n HIS 101 Cb 0.50 -3.71 -0.06 0.00 1.12 0.00 0.00 29.99 27.84 3kgy n HIS 101 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3kgy s THR 102 N -2.95 0.00 0.47 1.59 -4.23 -0.90 -4.70 115.64 104.93 3kgy s THR 102 Ca 0.02 -1.63 -0.24 0.00 -1.18 0.00 0.00 61.69 58.66 3kgy s THR 102 Cb -0.01 -2.38 -0.07 0.00 1.34 0.00 0.00 72.50 71.38 3kgy s THR 102 CO 0.02 0.00 1.39 -2.84 -0.54 0.00 0.00 174.62 172.65 3kgy s PRO 103 N -3.87 3.56 -0.07 3.99 0.02 -1.26 -3.29 135.00 134.09 3kgy s PRO 103 Ca 0.29 2.33 0.01 0.00 0.02 0.00 0.00 61.00 63.65 3kgy s PRO 103 Cb 0.02 -2.55 0.02 0.00 0.02 0.00 0.00 34.50 32.01 3kgy s PRO 103 CO 0.12 -0.89 -0.07 0.08 -0.33 0.00 0.00 177.00 175.92 3kgy s VAL 104 N -1.24 0.78 -0.32 3.83 1.01 0.03 -2.05 120.40 122.44 3kgy s VAL 104 Ca 0.64 -0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 3kgy s VAL 104 Cb -0.42 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3kgy s VAL 104 CO 0.53 0.29 0.14 -0.31 0.00 0.00 0.00 175.10 175.75 3kgy s TYR 105 N 1.10 3.18 -0.32 5.22 2.02 0.00 -0.47 117.35 128.08 3kgy s TYR 105 Ca -0.08 -0.71 -0.11 0.00 -0.37 0.00 0.00 57.07 55.81 3kgy s TYR 105 Cb -0.14 -2.34 -0.01 0.00 -0.40 0.00 0.00 41.96 39.07 3kgy s TYR 105 CO -0.01 -0.51 0.18 0.08 -1.57 0.00 0.00 175.55 173.72 3kgy s VAL 106 N 1.58 4.78 -0.13 0.71 1.01 0.80 -4.27 120.40 124.89 3kgy s VAL 106 Ca 0.04 -0.38 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3kgy s VAL 106 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3kgy s VAL 106 CO 0.05 0.03 1.25 -0.76 0.00 0.00 0.00 175.10 175.68 3kgy s LEU 107 N 1.64 4.21 0.06 3.92 1.43 -1.26 -0.75 118.68 127.93 3kgy s LEU 107 Ca 0.05 1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 54.63 3kgy s LEU 107 Cb -0.17 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.57 3kgy s LEU 107 CO 0.07 -0.72 0.60 0.28 0.23 0.00 0.00 176.35 176.82 3kgy s THR 108 N 3.16 0.01 -0.53 5.49 -1.32 -0.84 -3.01 115.64 118.59 3kgy s THR 108 Ca 0.55 -0.08 0.25 0.00 -1.21 0.00 0.00 61.69 61.20 3kgy s THR 108 Cb -0.23 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.09 3kgy s THR 108 CO 0.17 -0.04 1.70 0.45 -2.21 0.00 0.00 174.62 174.69 3kgy h HIS 109 N 2.55 0.00 -2.98 9.09 3.86 -1.90 -3.34 115.15 122.43 3kgy h HIS 109 Ca -0.31 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.35 3kgy h HIS 109 Cb 1.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 3kgy h HIS 109 CO 0.32 0.00 0.79 -2.00 0.86 0.00 0.00 177.93 177.90 3kgy s GLU 110 N -3.20 4.30 -0.22 2.45 2.12 -1.26 -4.98 118.70 117.91 3kgy s GLU 110 Ca 0.08 1.78 -0.29 0.00 0.36 0.00 0.00 54.97 56.90 3kgy s GLU 110 Cb 0.08 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 3kgy s GLU 110 CO 0.62 -0.54 1.32 1.03 -0.54 0.00 0.00 175.26 177.15 3kgy s ARG 111 N 2.55 4.06 -0.21 4.30 0.52 -1.26 -4.84 118.95 124.07 3kgy s ARG 111 Ca 0.59 1.50 -0.18 0.00 -0.52 0.00 0.00 55.73 57.13 3kgy s ARG 111 Cb -0.27 -3.84 0.06 0.00 0.52 0.00 0.00 34.95 31.42 3kgy s ARG 111 CO 0.22 -0.94 0.55 0.50 0.02 0.00 0.00 175.30 175.66 3kgy s ARG 112 N 3.90 0.62 0.69 3.54 3.52 -1.26 -5.16 118.95 124.81 3kgy s ARG 112 Ca 0.57 0.82 -0.14 0.00 -0.13 0.00 0.00 55.73 56.86 3kgy s ARG 112 Cb -0.20 0.25 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 3kgy s ARG 112 CO 0.20 -0.10 1.11 -0.80 -0.81 0.00 0.00 175.30 174.91 3kgy s ASN 113 N 0.58 4.87 0.90 -2.12 0.01 -1.26 -4.40 114.94 113.52 3kgy s ASN 113 Ca -0.02 1.99 -0.12 0.00 -0.71 0.00 0.00 52.86 54.00 3kgy s ASN 113 Cb -0.05 -2.55 0.10 0.00 0.41 0.00 0.00 41.25 39.17 3kgy s ASN 113 CO -0.03 -1.79 0.94 -2.65 -1.51 0.00 0.00 177.10 172.05 3kgy n PRO 114 N -2.71 -0.27 -3.84 -0.60 -0.02 -1.26 -4.79 135.00 121.51 3kgy n PRO 114 Ca 0.10 -0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.28 3kgy n PRO 114 Cb 0.52 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 3kgy n PRO 114 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3kgy s TRP 115 N -2.45 1.63 -0.01 6.00 -0.00 -0.37 -4.97 118.94 118.78 3kgy s TRP 115 Ca 0.65 -1.18 -0.17 0.00 -0.00 0.00 0.00 56.10 55.40 3kgy s TRP 115 Cb -0.24 -1.27 -0.06 0.00 -0.00 0.00 0.00 33.47 31.90 3kgy s TRP 115 CO 0.59 -0.66 0.46 0.08 -0.00 0.00 0.00 176.95 177.43 3kgy s VAL 116 N 1.65 5.00 0.13 5.86 1.01 -1.26 -0.83 120.40 131.97 3kgy s VAL 116 Ca -0.02 0.96 0.10 0.00 0.00 0.00 0.00 61.98 63.02 3kgy s VAL 116 Cb -0.17 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3kgy s VAL 116 CO -0.07 0.51 -0.24 -0.13 0.00 0.00 0.00 175.10 175.16 3kgy s ARG 117 N -0.63 1.31 0.58 2.72 1.81 0.31 -5.01 118.95 120.05 3kgy s ARG 117 Ca 0.25 -1.30 -0.19 0.00 -1.72 0.00 0.00 55.73 52.77 3kgy s ARG 117 Cb -0.17 -1.69 -0.05 0.00 -0.45 0.00 0.00 34.95 32.59 3kgy s ARG 117 CO 0.14 0.39 1.07 -0.35 -0.68 0.00 0.00 175.30 175.87 3kgy n PRO 118 N 0.89 1.08 -0.43 3.54 -0.04 -1.26 -3.47 135.00 135.31 3kgy n PRO 118 Ca -0.18 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3kgy n PRO 118 Cb 0.54 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 3kgy n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kgy n GLY 119 N 1.15 0.75 1.67 0.55 0.00 -1.26 -3.93 105.19 104.11 3kgy n GLY 119 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3kgy n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 120 N -2.43 0.53 3.55 -0.02 0.00 -1.24 -4.42 105.19 101.16 3kgy n GLY 120 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 3kgy n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kgy s THR 121 N -2.00 4.32 -0.10 2.61 2.01 -1.23 -2.11 115.64 119.14 3kgy s THR 121 Ca 0.00 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.82 3kgy s THR 121 Cb 0.00 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.59 3kgy s THR 121 CO 0.00 0.46 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.36 3kgy s THR 122 N 0.54 1.40 -0.14 -0.82 2.01 -1.21 -0.53 115.64 116.89 3kgy s THR 122 Ca 0.00 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.23 3kgy s THR 122 Cb -0.14 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3kgy s THR 122 CO 0.02 0.42 0.50 -0.36 -0.69 0.00 0.00 174.62 174.51 3kgy s PHE 123 N 0.96 3.48 -0.08 4.92 0.08 -0.01 -0.79 117.98 126.54 3kgy s PHE 123 Ca -0.08 0.88 0.03 0.00 0.12 0.00 0.00 56.93 57.88 3kgy s PHE 123 Cb -0.15 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.68 3kgy s PHE 123 CO -0.01 0.09 -0.15 0.71 -0.10 0.00 0.00 175.22 175.76 3kgy s TYR 124 N 0.93 2.71 -0.37 0.36 2.02 0.38 -1.23 117.35 122.14 3kgy s TYR 124 Ca 0.26 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 3kgy s TYR 124 Cb -0.15 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 3kgy s TYR 124 CO 0.10 0.00 0.21 -0.06 -1.57 0.00 0.00 175.55 174.24 3kgy s PHE 125 N -0.30 3.24 -0.25 2.71 0.08 -1.26 -0.14 117.98 122.06 3kgy s PHE 125 Ca 0.02 -0.89 -0.09 0.00 0.12 0.00 0.00 56.93 56.08 3kgy s PHE 125 Cb -0.13 -2.44 -0.04 0.00 -0.57 0.00 0.00 43.02 39.84 3kgy s PHE 125 CO 0.03 -0.62 0.13 0.08 -0.10 0.00 0.00 175.22 174.74 3kgy s VAL 126 N 1.57 4.95 -1.31 -0.44 1.01 0.07 -4.74 120.40 121.51 3kgy s VAL 126 Ca 0.02 0.04 0.17 0.00 0.00 0.00 0.00 61.98 62.22 3kgy s VAL 126 Cb -0.19 -3.32 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 3kgy s VAL 126 CO 0.07 0.32 0.83 0.59 0.00 0.00 0.00 175.10 176.92 3kgy n ASN 127 N 4.66 1.39 -1.14 3.32 5.03 -1.25 -1.99 115.26 125.28 3kgy n ASN 127 Ca -0.15 -1.20 0.01 0.00 0.87 0.00 0.00 54.58 54.12 3kgy n ASN 127 Cb 0.52 0.65 0.24 0.00 -1.02 0.00 0.00 39.78 40.17 3kgy n ASN 127 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3kgy n ASP 128 N -0.55 3.45 0.00 6.41 5.75 -1.26 -4.89 116.55 125.47 3kgy n ASP 128 Ca 0.06 -3.33 0.00 0.00 -0.01 0.00 0.00 54.79 51.50 3kgy n ASP 128 Cb 0.33 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.81 3kgy n ASP 128 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kgy n GLY 129 N -0.74 1.31 0.20 6.12 0.00 -1.26 -4.49 105.19 106.34 3kgy n GLY 129 Ca 0.29 -2.01 0.04 0.00 0.00 0.00 0.00 46.02 44.34 3kgy n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kgy h PRO 130 N 0.00 0.00 -0.41 1.61 0.13 -1.97 -1.43 132.00 129.92 3kgy h PRO 130 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 3kgy h PRO 130 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3kgy h PRO 130 CO 0.00 0.30 -0.10 0.93 -0.23 0.00 0.00 178.00 178.91 3kgy h GLU 131 N 0.00 0.80 -0.59 0.86 5.08 -2.00 -1.31 114.58 117.42 3kgy h GLU 131 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3kgy h GLU 131 Cb 0.55 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3kgy h GLU 131 CO 0.04 0.92 0.29 1.96 -1.00 0.00 0.00 179.01 181.22 3kgy h GLN 132 N 0.62 0.85 -0.89 2.33 1.08 -1.70 -1.07 115.11 116.33 3kgy h GLN 132 Ca 0.11 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 3kgy h GLN 132 Cb 0.62 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.86 3kgy h GLN 132 CO 0.04 0.68 0.53 0.00 -0.95 0.00 0.00 178.83 179.13 3kgy h ALA 133 N 1.12 1.14 -0.38 3.87 0.00 -1.14 -1.44 119.26 122.43 3kgy h ALA 133 Ca 0.20 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3kgy h ALA 133 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kgy h ALA 133 CO -0.03 0.61 -0.32 1.25 0.00 0.00 0.00 179.25 180.77 3kgy h LEU 134 N 1.23 0.88 -0.47 0.00 5.85 -0.94 0.46 115.31 122.33 3kgy h LEU 134 Ca 0.32 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.68 3kgy h LEU 134 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3kgy h LEU 134 CO -0.06 1.12 0.31 0.00 -0.34 0.00 0.00 178.44 179.47 3kgy h ALA 135 N 0.93 0.60 -0.64 1.25 0.00 -0.74 0.11 119.26 120.76 3kgy h ALA 135 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kgy h ALA 135 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3kgy h ALA 135 CO 0.08 0.04 0.10 -0.07 0.00 0.00 0.00 179.25 179.40 3kgy h LEU 136 N 0.63 1.02 -0.73 0.00 3.38 -1.08 -2.19 115.31 116.34 3kgy h LEU 136 Ca 0.17 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3kgy h LEU 136 Cb -0.07 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3kgy h LEU 136 CO -0.04 1.03 -0.15 0.00 0.09 0.00 0.00 178.44 179.36 3kgy h ALA 137 N 1.03 0.92 -0.42 1.53 0.00 -0.39 -1.36 119.26 120.58 3kgy h ALA 137 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3kgy h ALA 137 Cb 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kgy h ALA 137 CO 0.01 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 179.78 3kgy h ARG 138 N 0.72 0.75 -0.51 0.00 2.43 -0.70 0.46 114.38 117.53 3kgy h ARG 138 Ca 0.11 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3kgy h ARG 138 Cb 0.66 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3kgy h ARG 138 CO 0.05 0.84 0.29 1.49 -1.51 0.00 0.00 179.97 181.13 3kgy h GLU 139 N 0.59 0.56 -0.22 0.20 4.81 -1.16 -2.88 114.58 116.48 3kgy h GLU 139 Ca 0.12 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3kgy h GLU 139 Cb 0.51 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3kgy h GLU 139 CO 0.02 0.37 -0.18 0.00 -0.73 0.00 0.00 179.01 178.50 3kgy h ALA 140 N 1.24 1.29 0.00 2.92 0.00 -0.90 -3.32 119.26 120.49 3kgy h ALA 140 Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3kgy h ALA 140 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3kgy h ALA 140 CO -0.11 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.43 3kgy h ALA 141 N 1.46 0.93 -0.99 0.00 0.00 -0.68 -3.45 119.26 116.52 3kgy h ALA 141 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kgy h ALA 141 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kgy h ALA 141 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.92 3kgy n GLY 142 N 0.71 3.42 0.09 0.00 0.00 -1.23 -1.38 105.19 106.79 3kgy n GLY 142 Ca 0.02 -0.18 0.15 0.00 0.00 0.00 0.00 46.02 46.01 3kgy n GLY 142 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kgy n GLU 143 N 13.99 0.92 -2.42 1.61 1.02 -1.26 -4.71 120.64 129.79 3kgy n GLU 143 Ca 0.00 -0.19 -0.24 0.00 -0.02 0.00 0.00 57.16 56.71 3kgy n GLU 143 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.00 3kgy n GLU 143 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3kgy s ARG 144 N -2.21 2.03 0.64 3.49 0.52 -0.48 -4.81 118.95 118.13 3kgy s ARG 144 Ca 0.39 -0.68 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 3kgy s ARG 144 Cb 0.21 -2.29 0.05 0.00 0.52 0.00 0.00 34.95 33.44 3kgy s ARG 144 CO 0.40 -1.23 0.92 -0.51 0.02 0.00 0.00 175.30 174.90 3kgy s ASP 145 N -4.58 5.06 -0.22 0.23 1.01 0.30 -4.58 116.67 113.89 3kgy s ASP 145 Ca 0.62 0.31 -0.00 0.00 0.71 0.00 0.00 52.55 54.19 3kgy s ASP 145 Cb -0.08 -1.09 0.02 0.00 1.01 0.00 0.00 42.92 42.78 3kgy s ASP 145 CO 0.43 -1.38 -0.12 -0.63 0.21 0.00 0.00 175.17 173.69 3kgy s ILE 146 N -3.04 2.57 -0.23 0.77 1.01 -0.06 0.02 121.20 122.23 3kgy s ILE 146 Ca 0.58 -0.96 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3kgy s ILE 146 Cb -0.11 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 3kgy s ILE 146 CO 0.42 0.35 0.23 -0.60 0.00 0.00 0.00 174.94 175.35 3kgy s ARG 147 N 1.32 4.10 -0.71 2.79 3.52 -0.23 -1.26 118.95 128.47 3kgy s ARG 147 Ca 0.02 -0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.26 3kgy s ARG 147 Cb -0.15 -3.54 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 3kgy s ARG 147 CO -0.08 0.02 1.08 0.42 -0.81 0.00 0.00 175.30 175.94 3kgy s ILE 148 N 1.15 4.16 0.28 4.11 1.01 0.22 -0.85 121.20 131.28 3kgy s ILE 148 Ca 0.11 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.55 3kgy s ILE 148 Cb -0.14 -4.77 0.09 0.00 0.01 0.00 0.00 42.46 37.65 3kgy s ILE 148 CO 0.06 -1.59 1.74 0.28 0.00 0.00 0.00 174.94 175.43 3kgy h SER 149 N 9.67 0.57 -4.43 3.58 0.02 -1.09 -3.40 113.55 118.47 3kgy h SER 149 Ca -0.24 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3kgy h SER 149 Cb 1.06 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3kgy h SER 149 CO 1.22 0.75 0.00 0.61 -1.14 0.00 0.00 176.83 178.27 3kgy n GLY 150 N -0.49 0.75 0.00 -3.77 0.00 -1.25 -4.92 105.19 95.52 3kgy n GLY 150 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3kgy n GLY 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 151 N -0.46 0.96 0.33 -0.02 0.00 -1.26 -0.52 105.19 104.22 3kgy n GLY 151 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 46.02 44.47 3kgy n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kgy h ALA 152 N -1.94 0.98 -0.67 4.61 0.00 -1.92 -1.83 119.26 118.49 3kgy h ALA 152 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3kgy h ALA 152 Cb 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3kgy h ALA 152 CO 0.00 0.67 0.44 -0.97 0.00 0.00 0.00 179.25 179.39 3kgy h ASN 153 N 1.10 0.75 -0.12 0.00 -1.24 -1.92 0.37 115.58 114.53 3kgy h ASN 153 Ca 0.24 -0.02 -0.17 0.00 0.71 0.00 0.00 56.30 57.06 3kgy h ASN 153 Cb 0.33 -0.18 0.01 0.00 0.73 0.00 0.00 38.32 39.20 3kgy h ASN 153 CO -0.00 0.54 -0.59 0.58 -1.29 0.00 0.00 177.43 176.67 3kgy h VAL 154 N 0.89 1.34 -0.99 2.57 2.07 -1.82 -2.70 116.25 117.61 3kgy h VAL 154 Ca 0.25 -1.87 0.02 0.00 0.82 0.00 0.00 66.70 65.91 3kgy h VAL 154 Cb -0.08 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 3kgy h VAL 154 CO -0.06 0.57 0.66 0.40 0.02 0.00 0.00 177.57 179.16 3kgy h ILE 155 N 0.25 1.24 -0.84 4.57 2.04 -1.05 -2.18 117.51 121.55 3kgy h ILE 155 Ca -0.04 -0.46 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3kgy h ILE 155 Cb 1.23 -0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3kgy h ILE 155 CO 0.12 0.24 0.53 1.56 0.00 0.00 0.00 178.15 180.61 3kgy h GLN 156 N 1.33 1.00 -0.10 2.37 4.20 -0.85 0.00 115.11 123.06 3kgy h GLN 156 Ca 0.37 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3kgy h GLN 156 Cb -0.12 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.43 3kgy h GLN 156 CO -0.09 0.66 0.07 1.96 -0.67 0.00 0.00 178.83 180.76 3kgy h GLN 157 N 1.03 0.13 -0.44 1.46 4.20 -1.07 -0.58 115.11 119.84 3kgy h GLN 157 Ca 0.34 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.95 3kgy h GLN 157 Cb 0.04 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3kgy h GLN 157 CO -0.12 0.09 -0.10 1.88 -0.67 0.00 0.00 178.83 179.91 3kgy h TYR 158 N 0.13 0.87 -0.06 2.96 0.05 -1.02 -0.75 116.97 119.15 3kgy h TYR 158 Ca 0.04 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.68 3kgy h TYR 158 Cb -0.01 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3kgy h TYR 158 CO -0.07 0.85 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.77 3kgy h LEU 159 N 0.72 -0.16 -1.83 3.88 3.38 -0.83 -1.66 115.31 118.82 3kgy h LEU 159 Ca 0.12 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3kgy h LEU 159 Cb 0.58 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kgy h LEU 159 CO 0.04 -0.07 -0.13 0.78 0.09 0.00 0.00 178.44 179.15 3kgy h ASN 160 N -0.06 0.00 0.59 -0.43 2.35 -0.73 -1.20 115.58 116.10 3kgy h ASN 160 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3kgy h ASN 160 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kgy h ASN 160 CO -0.10 0.13 -0.05 0.18 -1.65 0.00 0.00 177.43 175.94 3kgy n LEU 161 N -4.18 0.14 -0.72 1.61 4.77 -0.32 -4.92 117.00 113.37 3kgy n LEU 161 Ca -0.02 0.24 -0.08 0.00 -0.03 0.00 0.00 56.01 56.12 3kgy n LEU 161 Cb 0.20 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 3kgy n LEU 161 CO 0.34 0.03 -0.08 0.61 -1.33 0.00 0.00 177.39 176.95 3kgy n GLY 162 N 1.33 0.52 0.67 -0.72 0.00 -0.45 -4.94 105.19 101.60 3kgy n GLY 162 Ca 0.13 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3kgy n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kgy n LEU 163 N -0.97 2.37 -4.56 0.99 4.77 -0.66 -4.88 117.00 114.05 3kgy n LEU 163 Ca -0.08 -0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 54.64 3kgy n LEU 163 Cb 0.40 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 3kgy n LEU 163 CO 0.11 0.42 0.47 -0.69 -1.33 0.00 0.00 177.39 176.37 3kgy s VAL 164 N -2.28 4.80 0.09 4.08 1.01 -1.25 -4.69 120.40 122.16 3kgy s VAL 164 Ca 0.23 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 3kgy s VAL 164 Cb 0.19 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 32.13 3kgy s VAL 164 CO 0.46 -0.44 1.17 0.44 0.00 0.00 0.00 175.10 176.73 3kgy h ASP 165 N 8.59 0.36 -3.71 3.32 3.32 -1.01 -3.43 116.42 123.86 3kgy h ASP 165 Ca -0.26 -0.38 -0.20 0.00 0.02 0.00 0.00 57.03 56.21 3kgy h ASP 165 Cb 1.10 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.26 3kgy h ASP 165 CO 0.88 1.29 -0.56 -1.61 -1.72 0.00 0.00 179.24 177.53 3kgy s GLU 166 N -2.69 0.16 -0.17 3.56 2.02 -1.02 -1.54 118.70 119.02 3kgy s GLU 166 Ca -0.03 0.24 -0.01 0.00 0.02 0.00 0.00 54.97 55.19 3kgy s GLU 166 Cb 0.08 0.03 0.05 0.00 0.10 0.00 0.00 34.13 34.39 3kgy s GLU 166 CO 0.87 -0.05 -0.03 -1.17 0.02 0.00 0.00 175.26 174.91 3kgy s LEU 167 N 0.29 1.56 -0.16 1.80 2.96 -0.31 -1.43 118.68 123.39 3kgy s LEU 167 Ca -0.02 -0.72 0.01 0.00 -0.22 0.00 0.00 54.13 53.18 3kgy s LEU 167 Cb -0.03 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.83 3kgy s LEU 167 CO -0.01 -0.22 -0.17 -1.61 -1.32 0.00 0.00 176.35 173.02 3kgy s GLU 168 N 1.68 3.12 -0.10 1.98 2.02 0.85 -0.88 118.70 127.37 3kgy s GLU 168 Ca -0.00 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3kgy s GLU 168 Cb -0.16 -2.59 0.02 0.00 0.10 0.00 0.00 34.13 31.50 3kgy s GLU 168 CO -0.07 -0.07 -0.11 0.42 0.02 0.00 0.00 175.26 175.45 3kgy s ILE 169 N 0.99 1.19 -0.56 -1.63 1.01 -0.08 -1.25 121.20 120.86 3kgy s ILE 169 Ca -0.02 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 3kgy s ILE 169 Cb -0.15 -1.14 0.05 0.00 0.01 0.00 0.00 42.46 41.23 3kgy s ILE 169 CO -0.04 0.39 0.90 0.00 0.00 0.00 0.00 174.94 176.18 3kgy s ALA 170 N 1.27 3.18 -0.34 9.38 0.00 -0.18 -0.28 121.76 134.80 3kgy s ALA 170 Ca -0.02 -1.41 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 3kgy s ALA 170 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3kgy s ALA 170 CO -0.04 -2.40 0.69 -1.17 0.00 0.00 0.00 175.76 172.84 3kgy s LEU 171 N 3.78 4.17 -0.12 0.00 2.96 -0.04 -1.01 118.68 128.41 3kgy s LEU 171 Ca 0.27 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.49 3kgy s LEU 171 Cb -0.14 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.62 3kgy s LEU 171 CO 0.17 -0.60 0.02 -0.63 -1.32 0.00 0.00 176.35 173.99 3kgy s ILE 172 N 2.80 4.48 -0.56 6.68 -1.09 -0.12 -1.30 121.20 132.10 3kgy s ILE 172 Ca 0.27 -0.17 -0.06 0.00 -2.23 0.00 0.00 60.65 58.46 3kgy s ILE 172 Cb -0.14 -2.93 -0.15 0.00 -1.58 0.00 0.00 42.46 37.65 3kgy s ILE 172 CO 0.14 0.56 2.82 -0.81 -1.23 0.00 0.00 174.94 176.42 3kgy n PRO 173 N 2.61 2.19 -4.55 2.79 -0.04 -1.26 -1.24 135.00 135.49 3kgy n PRO 173 Ca -0.18 -1.26 -0.22 0.00 -0.04 0.00 0.00 63.50 61.80 3kgy n PRO 173 Cb 0.53 -2.22 -0.14 0.00 -0.04 0.00 0.00 33.50 31.63 3kgy n PRO 173 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3kgy s VAL 174 N 1.97 1.27 -0.22 0.52 0.11 -1.26 -4.96 120.40 117.83 3kgy s VAL 174 Ca 0.55 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.62 3kgy s VAL 174 Cb 0.21 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3kgy s VAL 174 CO -0.02 0.18 0.07 -0.63 -3.33 0.00 0.00 175.10 171.36 3kgy s ILE 175 N -0.65 4.50 -0.11 7.04 -1.09 -1.26 -0.95 121.20 128.68 3kgy s ILE 175 Ca 0.04 -0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 3kgy s ILE 175 Cb -0.07 -3.07 -0.24 0.00 -1.58 0.00 0.00 42.46 37.50 3kgy s ILE 175 CO 0.01 0.39 0.40 0.49 -1.23 0.00 0.00 174.94 174.99 3kgy n PHE 176 N 4.34 0.75 -1.06 3.97 3.01 -1.26 -5.00 117.46 122.21 3kgy n PHE 176 Ca -0.16 0.23 -0.02 0.00 1.01 0.00 0.00 57.45 58.51 3kgy n PHE 176 Cb 0.52 -1.13 -0.01 0.00 -0.01 0.00 0.00 39.48 38.85 3kgy n PHE 176 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kgy n GLY 177 N 1.75 0.52 0.00 1.37 0.00 -1.26 -4.87 105.19 102.69 3kgy n GLY 177 Ca -0.26 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3kgy n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 178 N -1.98 0.45 0.00 -0.02 0.00 -1.26 -5.06 105.19 97.32 3kgy n GLY 178 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3kgy n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kgy n GLY 179 N -1.14 0.21 3.42 -0.02 0.00 -1.26 -3.94 105.19 102.46 3kgy n GLY 179 Ca 0.00 -2.05 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 3kgy n GLY 179 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kgy s ARG 180 N 0.00 3.09 0.05 1.61 1.81 -0.39 -4.88 118.95 120.24 3kgy s ARG 180 Ca 0.00 -1.04 -0.30 0.00 -1.72 0.00 0.00 55.73 52.66 3kgy s ARG 180 Cb 0.00 -4.15 -0.05 0.00 -0.45 0.00 0.00 34.95 30.30 3kgy s ARG 180 CO 0.00 -1.29 1.18 0.50 -0.68 0.00 0.00 175.30 175.01 3kgy s ARG 181 N 2.56 4.44 0.00 3.54 6.06 -1.26 -3.93 118.95 130.36 3kgy s ARG 181 Ca 0.13 1.73 -0.24 0.00 -2.50 0.00 0.00 55.73 54.85 3kgy s ARG 181 Cb -0.21 -3.38 -0.16 0.00 0.06 0.00 0.00 34.95 31.27 3kgy s ARG 181 CO 0.10 -0.25 1.15 1.25 -2.50 0.00 0.00 175.30 175.04 3kgy h LEU 182 N 6.92 -0.41 -7.82 -0.88 5.85 -1.62 -3.38 115.31 113.96 3kgy h LEU 182 Ca -0.41 -0.15 -0.73 0.00 0.84 0.00 0.00 57.88 57.44 3kgy h LEU 182 Cb 1.21 0.11 -0.19 0.00 0.37 0.00 0.00 40.66 42.16 3kgy h LEU 182 CO 0.81 -0.02 0.99 -0.36 -0.34 0.00 0.00 178.44 179.51 3kgy s PHE 183 N -4.47 3.42 0.04 1.25 0.08 -1.26 -4.75 117.98 112.28 3kgy s PHE 183 Ca -0.14 -1.86 -0.18 0.00 0.12 0.00 0.00 56.93 54.88 3kgy s PHE 183 Cb 0.02 -4.23 0.03 0.00 -0.57 0.00 0.00 43.02 38.27 3kgy s PHE 183 CO 0.50 -1.37 0.39 -2.00 -0.10 0.00 0.00 175.22 172.64 3kgy s GLU 184 N 1.74 0.88 -1.36 0.44 2.12 -1.26 -4.91 118.70 116.35 3kgy s GLU 184 Ca 0.36 -0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.34 3kgy s GLU 184 Cb -0.05 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.74 3kgy s GLU 184 CO -0.05 -0.29 0.00 0.09 -0.54 0.00 0.00 175.26 174.46 3kgy n ASN 185 N 0.60 -4.51 -4.85 -1.70 3.02 -1.26 -4.92 115.26 101.65 3kgy n ASN 185 Ca -0.19 0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 3kgy n ASN 185 Cb 0.59 -3.38 -0.06 0.00 -0.61 0.00 0.00 39.78 36.32 3kgy n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kgy s LEU 186 N -3.43 4.42 0.15 3.41 1.43 -1.26 -4.99 118.68 118.41 3kgy s LEU 186 Ca 0.00 0.92 0.06 0.00 -1.03 0.00 0.00 54.13 54.08 3kgy s LEU 186 Cb 0.00 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3kgy s LEU 186 CO 0.00 0.25 -0.14 -1.38 0.23 0.00 0.00 176.35 175.32 3kgy s HIS 187 N -1.23 1.47 0.57 0.29 -3.43 -1.26 -5.09 115.29 106.62 3kgy s HIS 187 Ca 0.28 -0.60 -0.20 0.00 -0.80 0.00 0.00 55.06 53.75 3kgy s HIS 187 Cb -0.16 -0.74 -0.04 0.00 -1.43 0.00 0.00 32.58 30.22 3kgy s HIS 187 CO 0.16 0.19 1.23 -1.21 -2.00 0.00 0.00 174.74 173.11 3kgy s GLU 188 N -3.14 3.06 0.02 -0.38 0.41 -1.26 -3.59 118.70 113.81 3kgy s GLU 188 Ca 0.14 1.90 -0.30 0.00 -0.41 0.00 0.00 54.97 56.30 3kgy s GLU 188 Cb -0.02 -2.03 -0.06 0.00 -1.78 0.00 0.00 34.13 30.24 3kgy s GLU 188 CO 0.04 -1.16 1.42 -2.14 -0.49 0.00 0.00 175.26 172.93 3kgy s PRO 189 N -3.19 4.28 0.49 0.39 0.02 -1.26 -5.14 135.00 130.59 3kgy s PRO 189 Ca 0.75 2.00 -0.20 0.00 0.02 0.00 0.00 61.00 63.58 3kgy s PRO 189 Cb -0.32 -3.54 -0.09 0.00 0.02 0.00 0.00 34.50 30.57 3kgy s PRO 189 CO 0.36 -0.57 1.02 -0.51 -0.33 0.00 0.00 177.00 176.97 3kgy s LEU 190 N 2.27 3.82 0.46 -5.54 1.43 -1.24 -4.94 118.68 114.95 3kgy s LEU 190 Ca 0.65 1.84 -0.24 0.00 -1.03 0.00 0.00 54.13 55.34 3kgy s LEU 190 Cb -0.32 -4.55 -0.07 0.00 0.03 0.00 0.00 46.19 41.27 3kgy s LEU 190 CO 0.27 -0.71 1.31 -2.84 0.23 0.00 0.00 176.35 174.61 3kgy s PRO 191 N -3.36 3.65 -0.14 1.29 0.02 -1.26 -5.01 135.00 130.18 3kgy s PRO 191 Ca 0.65 2.14 0.02 0.00 0.02 0.00 0.00 61.00 63.83 3kgy s PRO 191 Cb -0.14 -2.53 0.01 0.00 0.02 0.00 0.00 34.50 31.86 3kgy s PRO 191 CO 0.21 -0.75 -0.21 -0.65 -0.33 0.00 0.00 177.00 175.27 3kgy s GLN 192 N -2.55 2.88 0.19 5.54 -0.21 -1.26 -5.10 119.66 119.15 3kgy s GLN 192 Ca 0.63 -0.80 0.07 0.00 0.02 0.00 0.00 55.36 55.28 3kgy s GLN 192 Cb -0.38 -2.36 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 3kgy s GLN 192 CO 0.47 -0.05 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.39 3kgy s PHE 193 N 0.91 1.65 0.23 0.91 0.08 -1.26 -1.01 117.98 119.49 3kgy s PHE 193 Ca -0.05 -0.59 0.11 0.00 0.12 0.00 0.00 56.93 56.51 3kgy s PHE 193 Cb -0.15 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 3kgy s PHE 193 CO -0.03 0.31 -0.15 -0.98 -0.10 0.00 0.00 175.22 174.27 3kgy s ARG 194 N -3.56 1.84 0.04 0.44 1.70 0.20 -4.76 118.95 114.86 3kgy s ARG 194 Ca 0.21 -1.50 -0.31 0.00 -0.47 0.00 0.00 55.73 53.66 3kgy s ARG 194 Cb -0.01 -1.97 -0.06 0.00 -0.57 0.00 0.00 34.95 32.35 3kgy s ARG 194 CO 0.06 0.38 1.26 0.42 -1.08 0.00 0.00 175.30 176.34 3kgy s ILE 195 N -2.02 3.91 -0.20 4.99 1.01 -1.26 -1.27 121.20 126.36 3kgy s ILE 195 Ca 0.26 1.35 0.03 0.00 0.00 0.00 0.00 60.65 62.29 3kgy s ILE 195 Cb -0.07 -3.87 -0.14 0.00 0.01 0.00 0.00 42.46 38.39 3kgy s ILE 195 CO 0.14 0.07 -0.15 -0.67 0.00 0.00 0.00 174.94 174.34 3kgy n ASP 196 N 4.32 2.23 -3.59 3.58 2.03 0.16 -4.88 116.55 120.40 3kgy n ASP 196 Ca 0.10 -0.10 -0.15 0.00 0.52 0.00 0.00 54.79 55.17 3kgy n ASP 196 Cb 0.45 -0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 40.62 3kgy n ASP 196 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3kgy s ARG 197 N -2.41 0.86 -0.06 -0.67 3.00 -1.05 -5.02 118.95 113.60 3kgy s ARG 197 Ca -0.25 0.64 0.03 0.00 -1.00 0.00 0.00 55.73 55.15 3kgy s ARG 197 Cb 0.07 0.41 0.01 0.00 0.00 0.00 0.00 34.95 35.44 3kgy s ARG 197 CO 0.50 -0.18 -0.14 0.08 0.00 0.00 0.00 175.30 175.56 3kgy s VAL 198 N -0.28 1.20 -0.26 7.11 1.01 -1.26 -0.97 120.40 126.95 3kgy s VAL 198 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3kgy s VAL 198 Cb -0.03 -1.08 0.06 0.00 0.00 0.00 0.00 36.38 35.33 3kgy s VAL 198 CO 0.03 0.36 -0.10 -0.22 0.00 0.00 0.00 175.10 175.18 3kgy s LEU 199 N 0.45 3.32 0.17 3.92 2.96 -0.01 -4.99 118.68 124.51 3kgy s LEU 199 Ca -0.11 -1.36 -0.23 0.00 -0.22 0.00 0.00 54.13 52.20 3kgy s LEU 199 Cb -0.14 -1.49 -0.08 0.00 0.50 0.00 0.00 46.19 44.97 3kgy s LEU 199 CO 0.03 -0.20 0.74 0.00 -1.32 0.00 0.00 176.35 175.61 3kgy s ALA 200 N 1.14 3.45 0.12 5.97 0.00 -1.26 -0.80 121.76 130.38 3kgy s ALA 200 Ca -0.08 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3kgy s ALA 200 Cb -0.20 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 3kgy s ALA 200 CO -0.05 0.31 0.03 -1.54 0.00 0.00 0.00 175.76 174.51 3kgy s SER 201 N -1.29 0.49 0.56 0.00 1.04 -0.62 -4.95 113.70 108.92 3kgy s SER 201 Ca 0.37 -1.15 0.26 0.00 0.48 0.00 0.00 55.95 55.91 3kgy s SER 201 Cb -0.21 0.25 1.62 0.00 0.10 0.00 0.00 66.02 67.77 3kgy s SER 201 CO 0.24 -0.67 2.19 -0.65 0.98 0.00 0.00 173.24 175.32 3kgy h PRO 202 N 2.91 0.00 -0.01 4.02 0.11 -2.03 -3.20 132.00 133.79 3kgy h PRO 202 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3kgy h PRO 202 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kgy h PRO 202 CO 0.61 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.69 3kgy n THR 203 N -3.94 0.11 -3.57 -1.15 -2.24 -1.26 -5.04 114.28 97.20 3kgy n THR 203 Ca -0.03 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 3kgy n THR 203 Cb 0.13 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 3kgy n THR 203 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kgy s ALA 204 N -0.30 -1.79 -0.27 6.98 0.00 -1.21 -4.42 121.76 120.74 3kgy s ALA 204 Ca 0.03 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.57 3kgy s ALA 204 Cb 0.02 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3kgy s ALA 204 CO 0.03 -0.35 0.02 0.99 0.00 0.00 0.00 175.76 176.45 3kgy s THR 205 N -0.53 3.52 -0.47 0.00 2.01 -0.42 -1.59 115.64 118.16 3kgy s THR 205 Ca -0.06 -0.82 -0.21 0.00 0.31 0.00 0.00 61.69 60.91 3kgy s THR 205 Cb -0.02 -2.80 0.03 0.00 0.01 0.00 0.00 72.50 69.72 3kgy s THR 205 CO 0.06 0.13 0.70 -1.00 -0.69 0.00 0.00 174.62 173.82 3kgy s HIS 206 N 1.43 3.01 -0.14 4.92 3.76 0.02 -0.86 115.29 127.43 3kgy s HIS 206 Ca 0.02 -0.13 -0.05 0.00 -0.15 0.00 0.00 55.06 54.74 3kgy s HIS 206 Cb -0.17 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 29.95 3kgy s HIS 206 CO -0.00 -0.99 0.05 -0.51 -0.85 0.00 0.00 174.74 172.43 3kgy s LEU 207 N 3.00 3.79 -0.12 0.89 1.43 0.61 -0.83 118.68 127.46 3kgy s LEU 207 Ca 0.23 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3kgy s LEU 207 Cb -0.15 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3kgy s LEU 207 CO 0.18 0.28 -0.10 -0.60 0.23 0.00 0.00 176.35 176.34 3kgy s ARG 208 N -0.26 1.75 -0.03 1.70 3.52 -0.15 -0.91 118.95 124.57 3kgy s ARG 208 Ca 0.08 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.37 3kgy s ARG 208 Cb -0.12 -1.70 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 3kgy s ARG 208 CO 0.02 -0.23 -0.14 0.71 -0.81 0.00 0.00 175.30 174.85 3kgy s TYR 209 N 1.54 2.71 0.09 5.12 2.02 -0.06 -0.67 117.35 128.09 3kgy s TYR 209 Ca 0.03 -0.15 0.10 0.00 -0.37 0.00 0.00 57.07 56.68 3kgy s TYR 209 Cb -0.13 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3kgy s TYR 209 CO -0.07 0.23 -0.26 0.08 -1.57 0.00 0.00 175.55 173.95 3kgy s VAL 210 N -0.81 2.15 0.39 0.71 1.01 -0.40 -1.16 120.40 122.30 3kgy s VAL 210 Ca 0.13 -1.55 -0.27 0.00 0.00 0.00 0.00 61.98 60.28 3kgy s VAL 210 Cb -0.11 -1.88 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 3kgy s VAL 210 CO 0.02 0.22 1.41 0.00 0.00 0.00 0.00 175.10 176.75 3kgy s ARG 211 N -1.63 4.01 0.00 2.72 1.70 -0.59 -0.63 118.95 124.54 3kgy s ARG 211 Ca 0.12 2.40 0.20 0.00 -0.47 0.00 0.00 55.73 57.99 3kgy s ARG 211 Cb -0.10 -2.87 1.22 0.00 -0.57 0.00 0.00 34.95 32.63 3kgy s ARG 211 CO 0.04 -0.54 1.60 1.28 -1.08 0.00 0.00 175.30 176.60