#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 s LEU 2 N 0.00 4.19 -0.64 -0.89 1.43 -1.26 -4.91 118.68 116.60 3ek1 s LEU 2 Ca 0.00 2.52 -0.05 0.00 -1.03 0.00 0.00 54.13 55.56 3ek1 s LEU 2 Cb 0.00 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 3ek1 s LEU 2 CO 0.00 -0.80 2.23 0.00 0.23 0.00 0.00 176.35 178.00 3ek1 n ALA 3 N 0.05 4.66 -2.63 4.21 0.00 -1.26 -4.89 120.51 120.64 3ek1 n ALA 3 Ca 0.04 -1.75 -0.39 0.00 0.00 0.00 0.00 53.44 51.34 3ek1 n ALA 3 Cb 0.45 -2.78 -0.05 0.00 0.00 0.00 0.00 19.45 17.07 3ek1 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ek1 s LEU 4 N 0.07 4.35 0.57 0.00 1.43 -1.26 -4.96 118.68 118.87 3ek1 s LEU 4 Ca 0.41 1.15 0.34 0.00 -1.03 0.00 0.00 54.13 54.99 3ek1 s LEU 4 Cb 0.13 -2.99 1.67 0.00 0.03 0.00 0.00 46.19 45.03 3ek1 s LEU 4 CO -0.02 -0.03 2.12 0.11 0.23 0.00 0.00 176.35 178.75 3ek1 h LYS 5 N 6.38 0.00 -2.40 1.70 1.57 -1.97 -3.35 116.57 118.50 3ek1 h LYS 5 Ca -0.42 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.81 3ek1 h LYS 5 Cb 1.20 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.13 3ek1 h LYS 5 CO 0.74 0.06 -0.85 0.34 -0.57 0.00 0.00 179.45 179.16 3ek1 s ASP 6 N -5.76 2.24 0.56 0.86 -1.08 -1.26 -5.02 116.67 107.21 3ek1 s ASP 6 Ca -0.02 -2.29 0.34 0.00 -0.52 0.00 0.00 52.55 50.06 3ek1 s ASP 6 Cb 0.12 -0.21 1.49 0.00 -1.46 0.00 0.00 42.92 42.85 3ek1 s ASP 6 CO 0.53 -0.26 1.78 -0.65 0.52 0.00 0.00 175.17 177.09 3ek1 h PRO 7 N 6.66 0.00 0.00 4.34 0.11 -1.97 -2.13 132.00 139.02 3ek1 h PRO 7 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3ek1 h PRO 7 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3ek1 h PRO 7 CO 0.27 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.93 3ek1 n SER 8 N -4.01 0.21 0.23 -2.05 3.41 -1.26 -1.93 113.62 108.22 3ek1 n SER 8 Ca 0.22 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 3ek1 n SER 8 Cb 1.15 -0.61 0.39 0.00 -0.26 0.00 0.00 64.21 64.88 3ek1 n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ek1 h LEU 9 N 0.00 0.00 -8.89 1.04 3.38 -1.77 -3.42 115.31 105.65 3ek1 h LEU 9 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 3ek1 h LEU 9 Cb 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.82 3ek1 h LEU 9 CO 0.00 0.11 0.45 -0.22 0.09 0.00 0.00 178.44 178.87 3ek1 s LEU 10 N -6.36 4.07 0.22 1.67 2.96 -0.81 -3.60 118.68 116.83 3ek1 s LEU 10 Ca 0.03 0.64 0.11 0.00 -0.22 0.00 0.00 54.13 54.69 3ek1 s LEU 10 Cb 0.08 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 3ek1 s LEU 10 CO 0.63 -0.68 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.24 3ek1 s LYS 11 N 3.09 1.69 -0.07 1.98 -0.14 -1.26 -5.02 119.74 120.00 3ek1 s LYS 11 Ca 0.34 -1.55 0.13 0.00 -1.36 0.00 0.00 55.97 53.53 3ek1 s LYS 11 Cb -0.14 -1.89 0.26 0.00 -1.68 0.00 0.00 37.83 34.38 3ek1 s LYS 11 CO 0.14 0.38 1.12 -1.13 -0.76 0.00 0.00 175.35 175.10 3ek1 n SER 12 N -0.08 1.17 -4.13 2.83 3.41 -1.26 -4.83 113.62 110.72 3ek1 n SER 12 Ca -0.10 -2.65 -0.09 0.00 -0.26 0.00 0.00 58.87 55.78 3ek1 n SER 12 Cb 0.57 -0.35 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3ek1 n SER 12 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ek1 s GLN 13 N -1.36 0.73 0.27 4.33 -0.21 -1.26 -3.99 119.66 118.16 3ek1 s GLN 13 Ca 0.23 -1.28 -0.10 0.00 0.02 0.00 0.00 55.36 54.24 3ek1 s GLN 13 Cb 0.23 -0.01 -0.07 0.00 1.00 0.00 0.00 33.01 34.16 3ek1 s GLN 13 CO -0.05 -0.06 0.60 0.00 -2.12 0.00 0.00 175.29 173.66 3ek1 s LEU 15 N -3.06 4.95 -0.10 0.00 2.96 -0.86 -1.14 118.68 121.43 3ek1 s LEU 15 Ca 0.48 -0.84 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3ek1 s LEU 15 Cb -0.11 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.16 3ek1 s LEU 15 CO 0.23 -0.80 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.67 3ek1 s VAL 16 N 2.48 1.11 -1.59 1.68 1.01 0.39 -1.21 120.40 124.27 3ek1 s VAL 16 Ca 0.14 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 3ek1 s VAL 16 Cb -0.19 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.20 3ek1 s VAL 16 CO 0.13 0.37 0.49 -3.20 0.00 0.00 0.00 175.10 172.88 3ek1 n ASN 17 N 4.46 -1.29 0.00 3.32 5.15 -1.26 -0.60 115.26 125.03 3ek1 n ASN 17 Ca -0.17 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.72 3ek1 n ASN 17 Cb 0.51 -2.51 0.00 0.00 -0.53 0.00 0.00 39.78 37.25 3ek1 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek1 n GLY 18 N -1.80 0.55 3.60 8.20 0.00 -1.26 -4.49 105.19 109.99 3ek1 n GLY 18 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 3ek1 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 19 N -0.46 2.28 -0.30 1.61 0.52 0.23 -5.00 118.95 117.83 3ek1 s ARG 19 Ca 0.00 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.15 3ek1 s ARG 19 Cb 0.00 -2.38 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 3ek1 s ARG 19 CO 0.00 0.53 0.27 -1.58 0.02 0.00 0.00 175.30 174.54 3ek1 s TRP 20 N -1.19 3.22 0.24 -0.53 0.52 -1.26 -0.46 118.94 119.49 3ek1 s TRP 20 Ca 0.21 0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.47 3ek1 s TRP 20 Cb -0.11 -2.49 -0.05 0.00 -1.15 0.00 0.00 33.47 29.67 3ek1 s TRP 20 CO 0.13 -0.27 -0.09 0.96 0.02 0.00 0.00 176.95 177.71 3ek1 s ILE 21 N 1.85 1.56 0.39 2.03 -4.36 -0.29 -4.88 121.20 117.51 3ek1 s ILE 21 Ca 0.09 -2.14 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 3ek1 s ILE 21 Cb -0.16 -2.24 -0.02 0.00 1.25 0.00 0.00 42.46 41.29 3ek1 s ILE 21 CO 0.11 -0.45 0.38 -1.81 0.24 0.00 0.00 174.94 173.41 3ek1 s ASP 22 N -3.36 5.19 0.59 4.36 1.01 -1.26 -1.21 116.67 122.00 3ek1 s ASP 22 Ca 0.26 -0.63 -0.18 0.00 0.71 0.00 0.00 52.55 52.70 3ek1 s ASP 22 Cb 0.02 -0.70 -0.03 0.00 1.01 0.00 0.00 42.92 43.22 3ek1 s ASP 22 CO 0.09 -0.58 1.18 0.00 0.21 0.00 0.00 175.17 176.06 3ek1 s ALA 23 N -2.41 2.55 0.24 5.23 0.00 -1.26 -4.91 121.76 121.20 3ek1 s ALA 23 Ca 0.47 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 53.26 3ek1 s ALA 23 Cb -0.05 -3.41 0.25 0.00 0.00 0.00 0.00 23.12 19.91 3ek1 s ALA 23 CO 0.28 -1.11 1.90 0.00 0.00 0.00 0.00 175.76 176.83 3ek1 h ALA 24 N 0.81 1.17 -0.27 0.00 0.00 -1.94 -0.89 119.26 118.15 3ek1 h ALA 24 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3ek1 h ALA 24 Cb 1.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3ek1 h ALA 24 CO 0.55 0.49 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 3ek1 n ASP 25 N -4.49 2.21 0.00 0.00 5.68 -1.26 -4.96 116.55 113.74 3ek1 n ASP 25 Ca 0.11 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3ek1 n ASP 25 Cb 0.06 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 39.86 3ek1 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 26 N 1.23 1.60 3.75 6.12 0.00 -0.34 -5.01 105.19 112.55 3ek1 n GLY 26 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3ek1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 27 N -3.46 3.13 0.22 2.61 -4.23 -1.26 -4.84 115.64 107.82 3ek1 s THR 27 Ca 0.00 0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 60.75 3ek1 s THR 27 Cb 0.00 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.05 3ek1 s THR 27 CO 0.00 -0.47 0.47 0.42 -0.54 0.00 0.00 174.62 174.50 3ek1 s THR 28 N -2.84 0.02 -0.11 3.99 -4.23 -1.26 -1.97 115.64 109.23 3ek1 s THR 28 Ca 0.62 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 3ek1 s THR 28 Cb -0.18 -1.98 -0.02 0.00 1.34 0.00 0.00 72.50 71.66 3ek1 s THR 28 CO 0.56 -0.08 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.81 3ek1 s ILE 29 N -3.97 3.15 0.21 2.99 1.01 0.10 -4.78 121.20 119.91 3ek1 s ILE 29 Ca 0.18 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 60.04 3ek1 s ILE 29 Cb -0.00 -2.31 -0.08 0.00 0.01 0.00 0.00 42.46 40.08 3ek1 s ILE 29 CO 0.05 0.54 0.63 -0.54 0.00 0.00 0.00 174.94 175.61 3ek1 s LYS 30 N 0.10 4.02 -0.25 2.79 1.02 -1.26 -1.18 119.74 124.99 3ek1 s LYS 30 Ca -0.05 0.59 -0.00 0.00 0.02 0.00 0.00 55.97 56.52 3ek1 s LYS 30 Cb -0.15 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.42 3ek1 s LYS 30 CO 0.04 0.37 -0.08 0.08 -0.92 0.00 0.00 175.35 174.84 3ek1 s VAL 31 N -1.64 2.64 -0.08 3.17 1.01 0.33 -4.97 120.40 120.85 3ek1 s VAL 31 Ca 0.44 -1.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3ek1 s VAL 31 Cb -0.14 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3ek1 s VAL 31 CO 0.20 0.17 -0.05 -0.89 0.00 0.00 0.00 175.10 174.53 3ek1 s THR 32 N 1.27 3.87 -0.02 3.92 2.01 -1.26 -0.15 115.64 125.28 3ek1 s THR 32 Ca -0.01 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 3ek1 s THR 32 Cb -0.17 -2.61 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 3ek1 s THR 32 CO -0.05 0.59 1.49 0.21 -0.69 0.00 0.00 174.62 176.17 3ek1 s ASN 33 N -0.69 6.77 0.11 3.53 3.84 0.56 -4.77 114.94 124.30 3ek1 s ASN 33 Ca 0.11 2.16 0.25 0.00 0.21 0.00 0.00 52.86 55.58 3ek1 s ASN 33 Cb -0.11 -2.55 0.96 0.00 -0.55 0.00 0.00 41.25 39.00 3ek1 s ASN 33 CO 0.02 -0.80 1.78 -0.81 -2.79 0.00 0.00 177.10 174.49 3ek1 n PRO 34 N 6.01 0.12 0.24 0.43 -0.04 -1.26 -1.18 135.00 139.33 3ek1 n PRO 34 Ca 0.15 0.17 0.16 0.00 -0.04 0.00 0.00 63.50 63.94 3ek1 n PRO 34 Cb 0.43 -1.66 0.64 0.00 -0.04 0.00 0.00 33.50 32.87 3ek1 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ek1 h ALA 35 N 2.65 1.00 0.00 0.55 0.00 -1.91 -3.40 119.26 118.15 3ek1 h ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 35 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ek1 h ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 178.85 3ek1 n ASP 36 N -2.89 0.00 0.00 0.00 5.68 -1.22 -4.94 116.55 113.18 3ek1 n ASP 36 Ca 0.01 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.60 3ek1 n ASP 36 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3ek1 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 37 N 0.00 0.72 3.76 6.12 0.00 -0.32 -4.96 105.19 110.50 3ek1 n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ek1 n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 38 N 0.00 3.48 -4.68 1.61 3.41 -1.25 -4.63 113.62 111.56 3ek1 n SER 38 Ca 0.00 1.20 -0.43 0.00 -0.26 0.00 0.00 58.87 59.39 3ek1 n SER 38 Cb 0.00 -1.59 -0.02 0.00 -0.26 0.00 0.00 64.21 62.34 3ek1 n SER 38 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ek1 s VAL 39 N -1.13 4.65 -0.00 -3.33 1.01 -1.26 -0.32 120.40 120.02 3ek1 s VAL 39 Ca 0.55 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.48 3ek1 s VAL 39 Cb -0.49 -4.25 -0.26 0.00 0.00 0.00 0.00 36.38 31.38 3ek1 s VAL 39 CO 0.62 -0.03 0.82 0.40 0.00 0.00 0.00 175.10 176.91 3ek1 h ILE 40 N 5.16 1.11 0.00 2.22 2.04 -0.90 -3.48 117.51 123.66 3ek1 h ILE 40 Ca -0.29 -2.80 0.00 0.00 1.00 0.00 0.00 64.86 62.77 3ek1 h ILE 40 Cb 1.13 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 3ek1 h ILE 40 CO 0.88 0.78 0.00 0.61 0.00 0.00 0.00 178.15 180.43 3ek1 n GLY 41 N 1.64 -2.23 3.50 5.37 0.00 -1.23 -5.03 105.19 107.21 3ek1 n GLY 41 Ca -0.16 -1.25 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 3ek1 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 42 N -2.39 1.65 0.06 2.61 -4.23 -1.26 -0.52 115.64 111.56 3ek1 s THR 42 Ca 0.00 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 3ek1 s THR 42 Cb 0.00 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.08 3ek1 s THR 42 CO 0.00 -0.12 0.02 0.68 -0.54 0.00 0.00 174.62 174.66 3ek1 s VAL 43 N -2.98 0.20 0.96 2.29 -7.23 -0.32 -4.21 120.40 109.10 3ek1 s VAL 43 Ca 0.34 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 3ek1 s VAL 43 Cb 0.07 -1.42 0.17 0.00 0.56 0.00 0.00 36.38 35.75 3ek1 s VAL 43 CO 0.15 -0.91 1.09 -2.84 -0.31 0.00 0.00 175.10 172.29 3ek1 s PRO 44 N -3.78 0.71 -0.46 4.82 0.02 -1.26 -0.72 135.00 134.33 3ek1 s PRO 44 Ca 0.05 1.06 0.03 0.00 0.02 0.00 0.00 61.00 62.17 3ek1 s PRO 44 Cb 0.07 -1.73 0.12 0.00 0.02 0.00 0.00 34.50 32.98 3ek1 s PRO 44 CO -0.10 -2.68 0.21 0.45 -0.33 0.00 0.00 177.00 174.55 3ek1 s SER 45 N -2.98 4.19 0.45 2.53 0.15 -0.83 -4.15 113.70 113.07 3ek1 s SER 45 Ca 0.65 -2.69 -0.20 0.00 0.70 0.00 0.00 55.95 54.41 3ek1 s SER 45 Cb -0.21 -1.43 -0.10 0.00 -1.71 0.00 0.00 66.02 62.57 3ek1 s SER 45 CO 0.59 -0.28 0.97 -0.76 1.20 0.00 0.00 173.24 174.96 3ek1 s LEU 46 N 0.19 3.89 0.63 3.45 1.43 0.38 -4.75 118.68 123.89 3ek1 s LEU 46 Ca 0.16 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 54.91 3ek1 s LEU 46 Cb -0.24 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.46 3ek1 s LEU 46 CO -0.03 -0.45 0.95 -0.94 0.23 0.00 0.00 176.35 176.11 3ek1 s SER 47 N -2.24 5.39 0.43 2.29 1.04 -1.26 -4.65 113.70 114.70 3ek1 s SER 47 Ca 0.63 0.70 0.17 0.00 0.48 0.00 0.00 55.95 57.93 3ek1 s SER 47 Cb -0.10 -1.59 0.99 0.00 0.10 0.00 0.00 66.02 65.41 3ek1 s SER 47 CO 0.16 -1.23 1.93 0.58 0.98 0.00 0.00 173.24 175.66 3ek1 h VAL 48 N -0.34 1.01 -0.32 5.02 2.07 -1.96 -1.89 116.25 119.86 3ek1 h VAL 48 Ca -0.45 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.04 3ek1 h VAL 48 Cb 1.27 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3ek1 h VAL 48 CO 0.61 0.25 -0.25 0.00 0.02 0.00 0.00 177.57 178.20 3ek1 h ALA 49 N 1.75 0.45 -0.92 1.67 0.00 -1.99 0.46 119.26 120.69 3ek1 h ALA 49 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3ek1 h ALA 49 Cb 0.50 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 49 CO 0.03 0.44 0.59 1.15 0.00 0.00 0.00 179.25 181.47 3ek1 h THR 50 N 0.48 1.13 -0.57 0.00 2.02 -1.82 -1.28 112.91 112.89 3ek1 h THR 50 Ca 0.06 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 3ek1 h THR 50 Cb 0.81 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3ek1 h THR 50 CO 0.06 0.21 0.11 0.40 0.37 0.00 0.00 175.52 176.67 3ek1 h ILE 51 N 1.13 1.25 -0.73 3.11 1.08 -0.92 -0.24 117.51 122.19 3ek1 h ILE 51 Ca 0.37 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3ek1 h ILE 51 Cb 0.04 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 34.51 3ek1 h ILE 51 CO -0.13 0.34 0.44 0.11 -0.69 0.00 0.00 178.15 178.22 3ek1 h LYS 52 N 0.82 0.79 -0.82 2.37 1.57 -0.57 -0.90 116.57 119.84 3ek1 h LYS 52 Ca 0.17 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 3ek1 h LYS 52 Cb 0.39 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3ek1 h LYS 52 CO 0.01 0.52 0.38 0.93 -0.57 0.00 0.00 179.45 180.72 3ek1 h GLU 53 N 0.82 1.19 -0.94 3.15 5.08 -0.01 -2.23 114.58 121.62 3ek1 h GLU 53 Ca 0.31 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3ek1 h GLU 53 Cb 0.13 -0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.11 3ek1 h GLU 53 CO -0.16 0.92 0.60 0.00 -1.00 0.00 0.00 179.01 179.37 3ek1 h ALA 54 N 1.20 1.31 -0.18 3.43 0.00 -0.44 0.10 119.26 124.69 3ek1 h ALA 54 Ca 0.28 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3ek1 h ALA 54 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ek1 h ALA 54 CO -0.03 0.36 -0.04 0.82 0.00 0.00 0.00 179.25 180.36 3ek1 h ILE 55 N 1.08 1.28 -0.59 0.00 2.04 -0.66 -0.12 117.51 120.55 3ek1 h ILE 55 Ca 0.41 -1.00 0.09 0.00 1.00 0.00 0.00 64.86 65.37 3ek1 h ILE 55 Cb 0.18 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 3ek1 h ILE 55 CO -0.18 0.30 0.20 0.44 0.00 0.00 0.00 178.15 178.91 3ek1 h ASP 56 N 0.05 0.17 -0.23 1.72 3.32 -1.16 -1.10 116.42 119.20 3ek1 h ASP 56 Ca 0.05 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 3ek1 h ASP 56 Cb 0.47 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3ek1 h ASP 56 CO 0.02 0.11 -0.02 0.00 -1.72 0.00 0.00 179.24 177.62 3ek1 h ALA 57 N 1.41 1.32 -0.23 3.45 0.00 -0.31 -0.63 119.26 124.28 3ek1 h ALA 57 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 57 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3ek1 h ALA 57 CO -0.31 0.46 -0.06 1.03 0.00 0.00 0.00 179.25 180.36 3ek1 h SER 58 N 0.52 0.45 -0.82 0.00 0.87 -0.59 -1.89 113.55 112.08 3ek1 h SER 58 Ca 0.11 -0.37 0.03 0.00 -1.23 0.00 0.00 61.79 60.32 3ek1 h SER 58 Cb 0.37 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.16 3ek1 h SER 58 CO 0.01 0.72 0.53 0.00 -0.53 0.00 0.00 176.83 177.56 3ek1 h ALA 59 N 0.74 1.07 -0.54 6.23 0.00 -0.85 -1.97 119.26 123.94 3ek1 h ALA 59 Ca 0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3ek1 h ALA 59 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ek1 h ALA 59 CO 0.02 0.38 0.07 -0.22 0.00 0.00 0.00 179.25 179.50 3ek1 h LYS 60 N 1.05 0.87 0.00 0.00 1.63 -0.97 -3.03 116.57 116.11 3ek1 h LYS 60 Ca 0.32 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 3ek1 h LYS 60 Cb -0.03 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 3ek1 h LYS 60 CO -0.10 0.82 0.00 0.00 -3.45 0.00 0.00 179.45 176.72 3ek1 n ALA 61 N -2.47 2.21 -0.02 5.00 0.00 -0.73 -4.20 120.51 120.31 3ek1 n ALA 61 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 3ek1 n ALA 61 Cb 0.27 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 3ek1 n ALA 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ek1 h LEU 62 N 0.00 0.11 -0.35 0.00 5.85 -1.29 -2.60 115.31 117.03 3ek1 h LEU 62 Ca 0.00 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.44 3ek1 h LEU 62 Cb 0.67 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3ek1 h LEU 62 CO 0.00 0.40 -0.33 0.28 -0.34 0.00 0.00 178.44 178.45 3ek1 h SER 63 N -0.17 -1.13 -0.33 1.25 0.02 -1.74 0.27 113.55 111.71 3ek1 h SER 63 Ca 0.02 0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 3ek1 h SER 63 Cb 0.34 0.48 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 3ek1 h SER 63 CO 0.00 -0.20 0.07 1.23 -1.14 0.00 0.00 176.83 176.80 3ek1 h GLY 64 N -0.15 0.68 1.00 -3.77 0.00 -1.82 -0.39 103.07 98.63 3ek1 h GLY 64 Ca 0.06 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 3ek1 h GLY 64 CO -0.41 0.36 -0.17 -0.25 0.00 0.00 0.00 176.54 176.07 3ek1 h TRP 65 N 0.61 0.91 0.00 5.60 2.91 -1.03 -2.70 115.95 122.26 3ek1 h TRP 65 Ca 0.14 -0.22 -0.10 0.00 1.13 0.00 0.00 58.89 59.83 3ek1 h TRP 65 Cb 0.28 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3ek1 h TRP 65 CO 0.01 0.96 -0.48 0.00 -1.03 0.00 0.00 178.44 177.90 3ek1 h ALA 66 N 0.81 1.06 0.00 2.65 0.00 -0.11 -3.07 119.26 120.61 3ek1 h ALA 66 Ca 0.09 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3ek1 h ALA 66 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3ek1 h ALA 66 CO 0.05 0.60 -0.41 0.00 0.00 0.00 0.00 179.25 179.49 3ek1 h ALA 67 N 1.52 0.92 -2.43 0.00 0.00 -0.98 -3.45 119.26 114.83 3ek1 h ALA 67 Ca -0.00 -0.37 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 3ek1 h ALA 67 Cb 0.93 -0.07 0.18 0.00 0.00 0.00 0.00 17.79 18.84 3ek1 h ALA 67 CO 0.06 0.52 -0.48 1.63 0.00 0.00 0.00 179.25 180.98 3ek1 n LYS 68 N -3.47 0.35 -1.51 0.00 5.02 -1.03 -4.97 118.16 112.56 3ek1 n LYS 68 Ca 0.00 0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 3ek1 n LYS 68 Cb 0.56 -1.71 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 3ek1 n LYS 68 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ek1 s THR 69 N -1.85 3.70 0.23 -0.18 -4.23 -1.26 -4.92 115.64 107.12 3ek1 s THR 69 Ca 0.65 0.59 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 3ek1 s THR 69 Cb -0.39 -3.20 0.19 0.00 1.34 0.00 0.00 72.50 70.45 3ek1 s THR 69 CO 0.58 -0.68 1.85 0.00 -0.54 0.00 0.00 174.62 175.83 3ek1 h ALA 70 N -0.72 1.08 -0.95 3.99 0.00 -1.93 -2.12 119.26 118.61 3ek1 h ALA 70 Ca -0.44 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.56 3ek1 h ALA 70 Cb 1.22 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 3ek1 h ALA 70 CO 0.55 0.27 0.59 -0.22 0.00 0.00 0.00 179.25 180.43 3ek1 h LYS 71 N 0.94 0.93 0.10 0.00 3.64 -1.92 0.14 116.57 120.41 3ek1 h LYS 71 Ca 0.34 -0.06 -0.29 0.00 -1.27 0.00 0.00 60.65 59.38 3ek1 h LYS 71 Cb 0.10 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3ek1 h LYS 71 CO -0.15 0.62 -1.40 1.05 -2.27 0.00 0.00 179.45 177.30 3ek1 h GLU 72 N 0.96 0.22 -0.93 1.90 4.11 -1.84 -1.16 114.58 117.84 3ek1 h GLU 72 Ca 0.46 -0.38 0.01 0.00 0.07 0.00 0.00 59.36 59.52 3ek1 h GLU 72 Cb 0.41 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 3ek1 h GLU 72 CO -0.25 1.11 0.61 0.00 0.07 0.00 0.00 179.01 180.55 3ek1 h ARG 73 N 0.06 1.23 -0.53 1.06 3.08 -0.95 -1.99 114.38 116.35 3ek1 h ARG 73 Ca -0.19 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 59.81 3ek1 h ARG 73 Cb 1.98 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 31.72 3ek1 h ARG 73 CO 0.17 0.82 0.31 0.00 -1.07 0.00 0.00 179.97 180.20 3ek1 h ALA 74 N 1.41 0.68 -0.48 0.04 0.00 -0.54 -0.45 119.26 119.91 3ek1 h ALA 74 Ca 0.34 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 3ek1 h ALA 74 Cb -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3ek1 h ALA 74 CO -0.07 0.02 -0.09 0.78 0.00 0.00 0.00 179.25 179.89 3ek1 h GLY 75 N 0.62 0.93 1.06 0.00 0.00 -0.88 0.66 103.07 105.46 3ek1 h GLY 75 Ca 0.21 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 3ek1 h GLY 75 CO -0.10 0.65 -0.10 -2.22 0.00 0.00 0.00 176.54 174.78 3ek1 h ILE 76 N 0.78 1.27 -0.36 2.60 2.04 -0.96 -2.14 117.51 120.74 3ek1 h ILE 76 Ca 0.13 -1.23 -0.15 0.00 1.00 0.00 0.00 64.86 64.62 3ek1 h ILE 76 Cb 0.60 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3ek1 h ILE 76 CO 0.04 0.43 -0.36 -0.07 0.00 0.00 0.00 178.15 178.19 3ek1 h LEU 77 N 0.81 0.88 -1.16 1.44 3.38 -0.52 -2.42 115.31 117.71 3ek1 h LEU 77 Ca 0.13 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3ek1 h LEU 77 Cb 0.65 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3ek1 h LEU 77 CO 0.04 1.14 0.02 -0.09 0.09 0.00 0.00 178.44 179.64 3ek1 h ARG 78 N 0.69 0.60 -0.77 1.13 2.43 -0.82 -1.14 114.38 116.50 3ek1 h ARG 78 Ca 0.06 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.21 3ek1 h ARG 78 Cb 0.92 -0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.31 3ek1 h ARG 78 CO 0.08 0.61 0.40 0.87 -1.51 0.00 0.00 179.97 180.42 3ek1 h LYS 79 N 0.57 0.64 -0.23 0.20 1.57 -0.93 0.11 116.57 118.50 3ek1 h LYS 79 Ca 0.12 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3ek1 h LYS 79 Cb 0.34 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 3ek1 h LYS 79 CO 0.01 0.42 -0.20 2.35 -0.57 0.00 0.00 179.45 181.46 3ek1 h TRP 80 N 0.66 0.64 0.11 -1.35 7.01 -0.83 0.58 115.95 122.77 3ek1 h TRP 80 Ca 0.39 -0.18 0.02 0.00 2.11 0.00 0.00 58.89 61.22 3ek1 h TRP 80 Cb 0.43 -0.14 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 3ek1 h TRP 80 CO -0.09 0.86 -0.36 0.35 -2.79 0.00 0.00 178.44 176.41 3ek1 h PHE 81 N 0.23 -0.99 -0.87 2.65 3.57 -1.11 0.89 116.94 121.30 3ek1 h PHE 81 Ca 0.04 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3ek1 h PHE 81 Cb 0.74 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 3ek1 h PHE 81 CO 0.07 -0.46 0.58 -0.44 -2.23 0.00 0.00 178.31 175.83 3ek1 h ASP 82 N -0.59 0.99 -0.55 0.41 3.32 -0.45 -1.17 116.42 118.39 3ek1 h ASP 82 Ca 0.03 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3ek1 h ASP 82 Cb 0.62 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3ek1 h ASP 82 CO -0.22 0.71 0.35 -0.07 -1.72 0.00 0.00 179.24 178.30 3ek1 h LEU 83 N 1.17 0.60 -0.48 1.55 3.38 -0.47 -0.16 115.31 120.90 3ek1 h LEU 83 Ca 0.32 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 3ek1 h LEU 83 Cb -0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3ek1 h LEU 83 CO -0.07 0.43 0.07 0.40 0.09 0.00 0.00 178.44 179.36 3ek1 h ILE 84 N 0.72 1.25 -0.14 1.22 2.04 0.17 -0.59 117.51 122.17 3ek1 h ILE 84 Ca 0.21 -0.93 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 3ek1 h ILE 84 Cb -0.05 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3ek1 h ILE 84 CO -0.06 0.33 0.09 0.40 0.00 0.00 0.00 178.15 178.90 3ek1 h ILE 85 N 0.67 1.07 -0.51 -0.67 1.08 -1.09 -1.94 117.51 116.12 3ek1 h ILE 85 Ca 0.15 -0.17 0.09 0.00 -0.39 0.00 0.00 64.86 64.54 3ek1 h ILE 85 Cb 0.40 0.92 -0.03 0.00 -3.07 0.00 0.00 36.82 35.05 3ek1 h ILE 85 CO 0.01 0.06 0.35 0.00 -0.69 0.00 0.00 178.15 177.88 3ek1 h ALA 86 N 1.01 2.08 -0.69 1.87 0.00 -0.64 -2.31 119.26 120.58 3ek1 h ALA 86 Ca 0.05 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 3ek1 h ALA 86 Cb 0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 17.60 3ek1 h ALA 86 CO -0.01 -0.19 0.28 0.09 0.00 0.00 0.00 179.25 179.41 3ek1 n ASN 87 N -4.46 4.12 -0.06 0.00 3.02 -0.26 -4.77 115.26 112.84 3ek1 n ASN 87 Ca 0.08 -3.38 -0.10 0.00 -0.03 0.00 0.00 54.58 51.14 3ek1 n ASN 87 Cb 0.36 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 3ek1 n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ek1 h ALA 88 N 1.93 0.28 -0.49 5.41 0.00 -0.79 -2.31 119.26 123.29 3ek1 h ALA 88 Ca 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3ek1 h ALA 88 Cb 2.27 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.94 3ek1 h ALA 88 CO 0.72 -0.18 0.31 -0.44 0.00 0.00 0.00 179.25 179.66 3ek1 h ASP 89 N 0.24 0.54 -0.59 0.00 3.32 -1.86 0.14 116.42 118.21 3ek1 h ASP 89 Ca 0.08 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3ek1 h ASP 89 Cb 0.08 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3ek1 h ASP 89 CO -0.01 0.39 0.19 0.44 -1.72 0.00 0.00 179.24 178.53 3ek1 h ASP 90 N 0.64 0.85 -0.35 6.45 3.32 -1.91 -1.59 116.42 123.82 3ek1 h ASP 90 Ca 0.18 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3ek1 h ASP 90 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3ek1 h ASP 90 CO -0.05 0.82 0.10 0.40 -1.72 0.00 0.00 179.24 178.79 3ek1 h ILE 91 N 0.83 1.21 -0.86 0.35 2.04 -0.81 -1.61 117.51 118.66 3ek1 h ILE 91 Ca 0.19 -0.70 0.15 0.00 1.00 0.00 0.00 64.86 65.50 3ek1 h ILE 91 Cb 0.27 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3ek1 h ILE 91 CO -0.01 0.24 0.56 0.00 0.00 0.00 0.00 178.15 178.94 3ek1 h ALA 92 N 0.94 1.94 -0.06 1.87 0.00 -0.53 -0.76 119.26 122.67 3ek1 h ALA 92 Ca 0.11 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 92 Cb 0.27 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ek1 h ALA 92 CO -0.00 -0.18 -0.37 1.25 0.00 0.00 0.00 179.25 179.94 3ek1 h LEU 93 N 0.59 0.43 -1.10 0.00 5.85 -0.57 0.10 115.31 120.62 3ek1 h LEU 93 Ca 0.43 -0.67 0.10 0.00 0.84 0.00 0.00 57.88 58.58 3ek1 h LEU 93 Cb 0.81 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3ek1 h LEU 93 CO -0.18 1.04 0.61 0.40 -0.34 0.00 0.00 178.44 179.97 3ek1 h ILE 94 N -0.14 0.97 0.05 4.05 2.04 -1.01 -0.53 117.51 122.95 3ek1 h ILE 94 Ca -0.03 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3ek1 h ILE 94 Cb 1.04 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3ek1 h ILE 94 CO 0.08 0.18 -0.02 -0.03 0.00 0.00 0.00 178.15 178.35 3ek1 h MET 95 N 0.98 -0.06 -0.78 2.37 4.05 -0.87 -2.29 114.93 118.33 3ek1 h MET 95 Ca 0.45 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.97 3ek1 h MET 95 Cb 0.39 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.13 3ek1 h MET 95 CO -0.21 0.47 0.43 1.15 0.23 0.00 0.00 176.91 178.98 3ek1 h THR 96 N -0.63 0.88 0.11 -0.77 2.02 -0.86 -0.50 112.91 113.16 3ek1 h THR 96 Ca -0.01 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3ek1 h THR 96 Cb 0.56 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.06 3ek1 h THR 96 CO 0.01 0.13 -0.07 0.28 0.37 0.00 0.00 175.52 176.24 3ek1 h SER 97 N 0.72 -0.18 1.41 4.18 0.02 -1.03 -0.43 113.55 118.24 3ek1 h SER 97 Ca 0.38 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.25 3ek1 h SER 97 Cb 0.37 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3ek1 h SER 97 CO -0.26 -0.12 -0.60 1.05 -1.14 0.00 0.00 176.83 175.77 3ek1 h GLU 98 N -0.18 0.00 0.00 3.45 4.11 -1.24 -3.36 114.58 117.36 3ek1 h GLU 98 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 3ek1 h GLU 98 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3ek1 h GLU 98 CO 0.00 0.40 -1.28 0.00 0.07 0.00 0.00 179.01 178.20 3ek1 n GLN 99 N -3.14 2.53 0.00 1.06 -0.00 -0.21 -4.55 117.38 113.07 3ek1 n GLN 99 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 3ek1 n GLN 99 Cb 0.72 -1.10 0.00 0.00 -0.00 0.00 0.00 30.24 29.86 3ek1 n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ek1 n GLY 100 N 2.88 0.85 3.67 2.61 0.00 -0.18 -4.67 105.19 110.35 3ek1 n GLY 100 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3ek1 n GLY 100 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ek1 n LYS 101 N 0.00 1.04 -0.79 1.61 2.85 -1.26 -4.20 118.16 117.41 3ek1 n LYS 101 Ca 0.00 0.40 -0.31 0.00 -1.05 0.00 0.00 58.31 57.35 3ek1 n LYS 101 Cb 0.00 -2.35 0.16 0.00 -0.65 0.00 0.00 35.03 32.19 3ek1 n LYS 101 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3ek1 s PRO 102 N -3.03 1.17 0.20 -1.58 0.02 -1.26 -4.48 135.00 126.03 3ek1 s PRO 102 Ca 0.79 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 3ek1 s PRO 102 Cb -0.40 -1.74 0.19 0.00 0.02 0.00 0.00 34.50 32.57 3ek1 s PRO 102 CO 0.44 -2.52 1.80 -0.07 -0.33 0.00 0.00 177.00 176.32 3ek1 h LEU 103 N -1.69 0.48 -1.03 -5.54 3.38 -1.56 -0.99 115.31 108.35 3ek1 h LEU 103 Ca -0.44 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3ek1 h LEU 103 Cb 1.27 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 3ek1 h LEU 103 CO 0.43 0.32 0.65 0.00 0.09 0.00 0.00 178.44 179.93 3ek1 h ALA 104 N 1.31 1.32 -0.55 1.53 0.00 -1.91 0.25 119.26 121.22 3ek1 h ALA 104 Ca 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 104 Cb 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ek1 h ALA 104 CO -0.17 0.62 0.16 0.93 0.00 0.00 0.00 179.25 180.79 3ek1 h GLU 105 N 1.31 0.85 -0.55 0.00 5.08 -1.69 -0.82 114.58 118.76 3ek1 h GLU 105 Ca 0.37 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3ek1 h GLU 105 Cb -0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3ek1 h GLU 105 CO -0.09 0.79 0.06 0.00 -1.00 0.00 0.00 179.01 178.76 3ek1 h ALA 106 N 1.03 1.06 -0.41 3.43 0.00 -0.29 -0.27 119.26 123.82 3ek1 h ALA 106 Ca 0.17 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ek1 h ALA 106 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ek1 h ALA 106 CO -0.00 0.60 -0.23 -0.09 0.00 0.00 0.00 179.25 179.52 3ek1 h ARG 107 N 0.85 0.87 -0.76 0.00 2.43 -0.38 -2.18 114.38 115.21 3ek1 h ARG 107 Ca 0.17 -0.40 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 3ek1 h ARG 107 Cb 0.42 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.90 3ek1 h ARG 107 CO 0.01 1.04 0.46 0.78 -1.51 0.00 0.00 179.97 180.76 3ek1 h GLY 108 N 0.69 1.12 1.06 2.80 0.00 -0.63 -1.97 103.07 106.14 3ek1 h GLY 108 Ca 0.09 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3ek1 h GLY 108 CO 0.07 0.25 -0.07 -2.09 0.00 0.00 0.00 176.54 174.70 3ek1 h GLU 109 N 0.88 0.96 -0.53 4.80 4.81 -0.91 -1.12 114.58 123.46 3ek1 h GLU 109 Ca 0.32 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3ek1 h GLU 109 Cb 0.11 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3ek1 h GLU 109 CO -0.15 1.01 0.32 0.28 -0.73 0.00 0.00 179.01 179.74 3ek1 h VAL 110 N 0.83 1.17 -0.66 0.32 2.07 -1.04 0.67 116.25 119.61 3ek1 h VAL 110 Ca 0.14 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3ek1 h VAL 110 Cb 0.62 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3ek1 h VAL 110 CO 0.04 0.17 0.08 -0.07 0.02 0.00 0.00 177.57 177.81 3ek1 h LEU 111 N 0.71 1.07 -0.22 2.57 4.07 -1.15 -0.40 115.31 121.95 3ek1 h LEU 111 Ca 0.19 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 3ek1 h LEU 111 Cb -0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 3ek1 h LEU 111 CO -0.03 1.07 0.04 0.22 -1.08 0.00 0.00 178.44 178.66 3ek1 h TYR 112 N 1.02 0.39 -0.42 1.13 3.20 -0.74 -1.72 116.97 119.84 3ek1 h TYR 112 Ca 0.20 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.04 3ek1 h TYR 112 Cb 0.48 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3ek1 h TYR 112 CO 0.04 0.50 0.22 0.00 -1.64 0.00 0.00 178.16 177.27 3ek1 h ALA 113 N 0.85 0.53 -0.45 1.82 0.00 0.41 -2.10 119.26 120.32 3ek1 h ALA 113 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 113 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3ek1 h ALA 113 CO 0.00 -0.13 0.30 0.00 0.00 0.00 0.00 179.25 179.42 3ek1 h ALA 114 N 1.22 1.70 0.00 0.00 0.00 -0.82 -2.68 119.26 118.68 3ek1 h ALA 114 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 114 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ek1 h ALA 114 CO -0.12 0.27 -0.10 0.66 0.00 0.00 0.00 179.25 179.97 3ek1 h SER 115 N 0.59 0.00 -0.40 0.00 4.64 -0.59 -0.93 113.55 116.87 3ek1 h SER 115 Ca 0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3ek1 h SER 115 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3ek1 h SER 115 CO -0.04 0.10 -0.08 -0.26 -0.87 0.00 0.00 176.83 175.68 3ek1 h PHE 116 N 0.00 0.84 -0.19 4.77 0.04 -1.49 0.62 116.94 121.53 3ek1 h PHE 116 Ca -0.00 -0.18 0.01 0.00 2.80 0.00 0.00 57.97 60.60 3ek1 h PHE 116 Cb 0.19 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3ek1 h PHE 116 CO 0.00 0.88 0.10 0.82 -0.60 0.00 0.00 178.31 179.51 3ek1 h ILE 117 N 0.57 1.01 -0.23 -0.55 2.04 -1.26 -0.50 117.51 118.59 3ek1 h ILE 117 Ca 0.10 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3ek1 h ILE 117 Cb 0.59 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3ek1 h ILE 117 CO 0.04 0.04 0.05 -0.08 0.00 0.00 0.00 178.15 178.19 3ek1 h GLU 118 N 0.22 0.13 -0.29 2.37 4.81 -1.29 -1.69 114.58 118.85 3ek1 h GLU 118 Ca 0.08 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3ek1 h GLU 118 Cb 0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3ek1 h GLU 118 CO -0.04 0.09 0.16 2.35 -0.73 0.00 0.00 179.01 180.84 3ek1 h TRP 119 N 0.14 0.39 0.00 0.92 2.91 -0.39 -2.54 115.95 117.38 3ek1 h TRP 119 Ca 0.11 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.07 3ek1 h TRP 119 Cb 0.10 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 3ek1 h TRP 119 CO -0.15 0.31 -0.22 0.74 -1.03 0.00 0.00 178.44 178.09 3ek1 h PHE 120 N 0.35 0.00 -0.72 2.65 0.04 -1.06 -0.35 116.94 117.85 3ek1 h PHE 120 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3ek1 h PHE 120 Cb 0.05 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.16 3ek1 h PHE 120 CO -0.04 0.22 0.46 0.00 -0.60 0.00 0.00 178.31 178.36 3ek1 h ALA 121 N 1.78 0.91 -0.20 2.45 0.00 -1.06 0.31 119.26 123.45 3ek1 h ALA 121 Ca -0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3ek1 h ALA 121 Cb 1.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ek1 h ALA 121 CO 0.03 0.35 -0.61 0.93 0.00 0.00 0.00 179.25 179.95 3ek1 h GLU 122 N 0.98 0.69 0.00 0.00 5.08 -1.05 -3.09 114.58 117.19 3ek1 h GLU 122 Ca 0.26 -0.47 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3ek1 h GLU 122 Cb -0.08 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3ek1 h GLU 122 CO -0.05 1.09 -0.11 0.93 -1.00 0.00 0.00 179.01 179.86 3ek1 h GLU 123 N 0.51 0.00 -0.42 2.33 4.39 -0.64 -3.05 114.58 117.70 3ek1 h GLU 123 Ca -0.01 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3ek1 h GLU 123 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3ek1 h GLU 123 CO 0.12 0.11 0.28 0.00 -1.16 0.00 0.00 179.01 178.37 3ek1 h ALA 124 N 1.89 1.78 -0.00 3.43 0.00 -0.85 0.33 119.26 125.83 3ek1 h ALA 124 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 124 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ek1 h ALA 124 CO 0.01 0.18 -0.07 1.63 0.00 0.00 0.00 179.25 181.00 3ek1 n LYS 125 N -4.48 0.69 -0.49 0.00 5.02 -1.15 -3.66 118.16 114.09 3ek1 n LYS 125 Ca 0.04 -0.18 0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3ek1 n LYS 125 Cb 0.12 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.80 3ek1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ek1 n ARG 126 N -1.00 1.37 -2.45 1.97 1.74 0.09 -4.91 116.66 113.48 3ek1 n ARG 126 Ca 0.15 -2.96 -0.38 0.00 -0.77 0.00 0.00 57.85 53.89 3ek1 n ARG 126 Cb 0.26 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3ek1 n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ek1 s VAL 127 N -2.88 3.82 -0.11 1.55 1.01 -1.15 -4.98 120.40 117.66 3ek1 s VAL 127 Ca 0.35 -0.71 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3ek1 s VAL 127 Cb 0.33 -4.83 -0.05 0.00 0.00 0.00 0.00 36.38 31.84 3ek1 s VAL 127 CO -0.04 -1.72 0.39 -0.31 0.00 0.00 0.00 175.10 173.41 3ek1 s TYR 128 N 6.10 3.53 0.00 5.22 2.02 -1.26 -4.93 117.35 128.03 3ek1 s TYR 128 Ca 0.52 0.79 0.00 0.00 -0.37 0.00 0.00 57.07 58.00 3ek1 s TYR 128 Cb -0.01 -2.41 0.00 0.00 -0.40 0.00 0.00 41.96 39.14 3ek1 s TYR 128 CO -0.07 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.61 3ek1 n GLY 129 N 3.03 0.69 3.13 0.71 0.00 -1.26 -4.88 105.19 106.61 3ek1 n GLY 129 Ca -0.10 -1.90 -0.10 0.00 0.00 0.00 0.00 46.02 43.92 3ek1 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ek1 s ASP 130 N -1.00 0.89 0.02 1.61 1.01 0.27 -4.97 116.67 114.50 3ek1 s ASP 130 Ca 0.00 -0.95 0.07 0.00 0.71 0.00 0.00 52.55 52.38 3ek1 s ASP 130 Cb 0.00 0.12 -0.03 0.00 1.01 0.00 0.00 42.92 44.02 3ek1 s ASP 130 CO 0.00 -0.48 -0.21 0.42 0.21 0.00 0.00 175.17 175.11 3ek1 s THR 131 N -3.46 2.55 -0.05 -1.27 -4.23 -1.26 -0.91 115.64 107.01 3ek1 s THR 131 Ca 0.08 -1.17 0.03 0.00 -1.18 0.00 0.00 61.69 59.44 3ek1 s THR 131 Cb 0.04 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.87 3ek1 s THR 131 CO -0.06 0.41 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.69 3ek1 s ILE 132 N -0.82 1.04 0.25 2.99 1.01 -0.04 -5.00 121.20 120.62 3ek1 s ILE 132 Ca 0.13 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 3ek1 s ILE 132 Cb -0.10 -0.93 -0.12 0.00 0.01 0.00 0.00 42.46 41.32 3ek1 s ILE 132 CO 0.03 0.32 1.65 -2.84 0.00 0.00 0.00 174.94 174.10 3ek1 s PRO 133 N 0.39 4.13 0.06 2.79 0.02 -1.26 -3.58 135.00 137.54 3ek1 s PRO 133 Ca -0.08 2.58 -0.25 0.00 0.02 0.00 0.00 61.00 63.27 3ek1 s PRO 133 Cb -0.12 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.29 3ek1 s PRO 133 CO 0.02 -0.68 0.75 0.00 -0.33 0.00 0.00 177.00 176.76 3ek1 s ALA 134 N 0.57 3.39 0.30 -1.55 0.00 -1.26 -4.93 121.76 118.27 3ek1 s ALA 134 Ca 0.69 0.27 0.37 0.00 0.00 0.00 0.00 51.96 53.28 3ek1 s ALA 134 Cb -0.48 -2.97 1.83 0.00 0.00 0.00 0.00 23.12 21.50 3ek1 s ALA 134 CO 0.40 0.11 2.12 -1.35 0.00 0.00 0.00 175.76 177.04 3ek1 h PRO 135 N 5.48 0.00 -6.09 0.00 0.11 -1.92 -3.42 132.00 126.15 3ek1 h PRO 135 Ca -0.44 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.98 3ek1 h PRO 135 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 3ek1 h PRO 135 CO 0.70 0.00 -0.71 -0.65 -0.21 0.00 0.00 178.00 177.13 3ek1 s GLN 136 N -3.86 2.78 0.59 1.05 -1.52 -1.26 -5.11 119.66 112.33 3ek1 s GLN 136 Ca -0.02 -0.58 -0.20 0.00 -1.95 0.00 0.00 55.36 52.61 3ek1 s GLN 136 Cb 0.11 -2.57 -0.03 0.00 -0.22 0.00 0.00 33.01 30.30 3ek1 s GLN 136 CO 0.44 0.61 1.31 0.09 -0.25 0.00 0.00 175.29 177.49 3ek1 n ASN 137 N 2.38 2.31 0.00 5.90 4.13 -1.26 -3.41 115.26 125.31 3ek1 n ASN 137 Ca -0.18 0.90 0.00 0.00 1.68 0.00 0.00 54.58 56.99 3ek1 n ASN 137 Cb 0.53 -1.56 0.00 0.00 -1.54 0.00 0.00 39.78 37.21 3ek1 n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ek1 n GLY 138 N 0.86 0.52 3.14 7.41 0.00 -1.26 -5.03 105.19 110.84 3ek1 n GLY 138 Ca 0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.97 3ek1 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek1 s GLN 139 N -0.04 0.79 -0.07 1.61 -0.21 -1.22 -1.04 119.66 119.48 3ek1 s GLN 139 Ca 0.00 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3ek1 s GLN 139 Cb 0.00 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.26 3ek1 s GLN 139 CO 0.00 0.17 -0.13 1.03 -2.12 0.00 0.00 175.29 174.25 3ek1 s ARG 140 N -1.51 1.77 -0.21 2.91 1.81 0.88 -4.60 118.95 119.99 3ek1 s ARG 140 Ca -0.02 -0.43 -0.08 0.00 -1.72 0.00 0.00 55.73 53.48 3ek1 s ARG 140 Cb -0.09 -1.48 -0.04 0.00 -0.45 0.00 0.00 34.95 32.89 3ek1 s ARG 140 CO 0.02 0.01 0.07 -0.51 -0.68 0.00 0.00 175.30 174.21 3ek1 s LEU 141 N 0.74 3.72 0.09 2.53 1.43 -1.24 -1.53 118.68 124.41 3ek1 s LEU 141 Ca -0.13 -0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3ek1 s LEU 141 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 3ek1 s LEU 141 CO 0.03 0.10 -0.20 -0.89 0.23 0.00 0.00 176.35 175.62 3ek1 s THR 142 N 0.84 1.59 -0.08 5.49 2.01 0.27 -0.86 115.64 124.90 3ek1 s THR 142 Ca 0.04 -1.44 0.01 0.00 0.31 0.00 0.00 61.69 60.61 3ek1 s THR 142 Cb -0.14 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 70.95 3ek1 s THR 142 CO 0.02 -0.05 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.12 3ek1 s VAL 143 N -1.12 1.04 0.40 3.82 1.01 -0.09 0.29 120.40 125.76 3ek1 s VAL 143 Ca 0.05 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.74 3ek1 s VAL 143 Cb -0.10 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 3ek1 s VAL 143 CO 0.03 0.35 0.01 0.27 0.00 0.00 0.00 175.10 175.76 3ek1 s ILE 144 N 1.12 2.04 -0.03 2.22 -4.36 -0.45 -0.57 121.20 121.17 3ek1 s ILE 144 Ca -0.06 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.35 3ek1 s ILE 144 Cb -0.14 -2.97 0.01 0.00 1.25 0.00 0.00 42.46 40.60 3ek1 s ILE 144 CO -0.02 -0.02 -0.06 -0.13 0.24 0.00 0.00 174.94 174.95 3ek1 s ARG 145 N -3.71 0.77 0.05 0.37 0.52 -1.26 -0.91 118.95 114.76 3ek1 s ARG 145 Ca 0.35 -0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.38 3ek1 s ARG 145 Cb 0.09 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.79 3ek1 s ARG 145 CO 0.18 0.04 -0.06 -0.65 0.02 0.00 0.00 175.30 174.83 3ek1 s GLN 146 N 0.39 0.53 0.26 3.54 -0.21 -0.88 -4.93 119.66 118.35 3ek1 s GLN 146 Ca -0.05 -0.87 -0.30 0.00 0.02 0.00 0.00 55.36 54.16 3ek1 s GLN 146 Cb -0.09 -0.10 -0.13 0.00 1.00 0.00 0.00 33.01 33.69 3ek1 s GLN 146 CO 0.00 -0.01 1.33 -0.35 -2.12 0.00 0.00 175.29 174.14 3ek1 n PRO 147 N 1.08 1.93 -0.33 2.91 -0.04 -1.25 -0.05 135.00 139.25 3ek1 n PRO 147 Ca -0.20 0.68 0.04 0.00 -0.04 0.00 0.00 63.50 63.99 3ek1 n PRO 147 Cb 0.57 -2.29 0.23 0.00 -0.04 0.00 0.00 33.50 31.96 3ek1 n PRO 147 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ek1 h VAL 148 N 2.83 1.04 0.00 0.52 2.07 -1.26 -3.42 116.25 118.03 3ek1 h VAL 148 Ca -0.45 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3ek1 h VAL 148 Cb 1.29 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3ek1 h VAL 148 CO 0.71 0.19 0.00 0.61 0.02 0.00 0.00 177.57 179.11 3ek1 n GLY 149 N -1.38 0.33 3.70 2.17 0.00 -1.26 -4.89 105.19 103.85 3ek1 n GLY 149 Ca 0.15 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 3ek1 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 150 N -2.57 4.31 0.20 1.61 1.01 -1.26 -2.81 120.40 120.89 3ek1 s VAL 150 Ca 0.00 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.70 3ek1 s VAL 150 Cb 0.00 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3ek1 s VAL 150 CO 0.00 0.06 -0.16 0.42 0.00 0.00 0.00 175.10 175.42 3ek1 s THR 151 N 1.67 1.83 -0.03 3.92 -4.23 -0.51 -0.75 115.64 117.54 3ek1 s THR 151 Ca 0.56 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3ek1 s THR 151 Cb -0.25 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.57 3ek1 s THR 151 CO 0.25 -0.52 -0.08 0.00 -0.54 0.00 0.00 174.62 173.73 3ek1 s ALA 152 N -2.73 0.79 -0.06 3.99 0.00 -0.06 -1.03 121.76 122.67 3ek1 s ALA 152 Ca 0.22 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 51.98 3ek1 s ALA 152 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 3ek1 s ALA 152 CO 0.08 0.10 -0.23 0.00 0.00 0.00 0.00 175.76 175.70 3ek1 s ALA 153 N 0.34 2.04 -0.19 0.00 0.00 0.30 -0.57 121.76 123.68 3ek1 s ALA 153 Ca -0.05 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.94 3ek1 s ALA 153 Cb -0.10 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3ek1 s ALA 153 CO 0.00 0.38 -0.12 0.42 0.00 0.00 0.00 175.76 176.45 3ek1 s ILE 154 N -0.10 1.72 0.22 0.00 1.01 -0.71 0.16 121.20 123.50 3ek1 s ILE 154 Ca -0.04 -1.00 0.11 0.00 0.00 0.00 0.00 60.65 59.72 3ek1 s ILE 154 Cb -0.14 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3ek1 s ILE 154 CO 0.04 0.23 -0.18 0.42 0.00 0.00 0.00 174.94 175.45 3ek1 s THR 155 N 1.37 2.66 0.63 2.92 -4.23 -0.65 -2.39 115.64 115.97 3ek1 s THR 155 Ca -0.00 -2.02 0.05 0.00 -1.18 0.00 0.00 61.69 58.54 3ek1 s THR 155 Cb -0.16 -2.33 0.10 0.00 1.34 0.00 0.00 72.50 71.46 3ek1 s THR 155 CO -0.09 -0.20 0.87 -2.16 -0.54 0.00 0.00 174.62 172.51 3ek1 s PRO 156 N -2.98 2.04 0.28 3.99 0.04 -1.23 -2.01 135.00 135.14 3ek1 s PRO 156 Ca 0.25 -1.42 0.23 0.00 0.04 0.00 0.00 61.00 60.10 3ek1 s PRO 156 Cb -0.07 -2.52 0.17 0.00 0.04 0.00 0.00 34.50 32.13 3ek1 s PRO 156 CO 0.13 -1.10 1.29 0.11 0.04 0.00 0.00 177.00 177.47 3ek1 h TRP 157 N -0.12 0.00 0.00 0.56 5.08 -1.93 -3.38 115.95 116.16 3ek1 h TRP 157 Ca -0.33 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.55 3ek1 h TRP 157 Cb 1.28 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.43 3ek1 h TRP 157 CO 0.16 0.00 -0.45 -2.95 -1.28 0.00 0.00 178.44 173.92 3ek1 h ASN 158 N 0.00 0.00 -2.50 0.11 7.08 -1.96 -3.33 115.58 114.97 3ek1 h ASN 158 Ca 0.00 0.00 -0.60 0.00 -3.08 0.00 0.00 56.30 52.62 3ek1 h ASN 158 Cb 0.97 0.00 -0.39 0.00 -2.08 0.00 0.00 38.32 36.82 3ek1 h ASN 158 CO 0.00 0.45 -0.88 0.49 -2.08 0.00 0.00 177.43 175.41 3ek1 n PHE 159 N -3.68 0.17 0.57 4.14 3.72 -1.26 -4.99 117.46 116.13 3ek1 n PHE 159 Ca -0.01 -3.57 0.08 0.00 -0.05 0.00 0.00 57.45 53.90 3ek1 n PHE 159 Cb 0.53 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.43 3ek1 n PHE 159 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3ek1 n PRO 160 N 2.50 0.00 -0.09 -1.08 -0.05 -1.25 -2.46 135.00 132.57 3ek1 n PRO 160 Ca 0.27 0.22 -0.15 0.00 -0.05 0.00 0.00 63.50 63.79 3ek1 n PRO 160 Cb 0.45 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.35 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ek1 n ALA 161 N -1.50 1.33 -0.01 0.55 0.00 -1.26 -4.05 120.51 115.56 3ek1 n ALA 161 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.69 3ek1 n ALA 161 Cb 0.19 0.12 0.30 0.00 0.00 0.00 0.00 19.45 20.06 3ek1 n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek1 h ALA 162 N -0.84 1.39 0.00 0.00 0.00 -1.80 -2.00 119.26 116.00 3ek1 h ALA 162 Ca -0.24 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3ek1 h ALA 162 Cb 1.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ek1 h ALA 162 CO -0.15 0.43 -0.13 0.52 0.00 0.00 0.00 179.25 179.92 3ek1 h MET 163 N 0.54 0.00 0.15 0.00 2.86 -1.79 -1.58 114.93 115.11 3ek1 h MET 163 Ca 0.12 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.53 3ek1 h MET 163 Cb 0.29 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.97 3ek1 h MET 163 CO 0.00 0.13 -0.98 0.82 1.06 0.00 0.00 176.91 177.94 3ek1 h ILE 164 N 0.00 1.43 0.00 -1.22 2.04 -1.61 -3.33 117.51 114.82 3ek1 h ILE 164 Ca -0.00 -2.52 -0.06 0.00 1.00 0.00 0.00 64.86 63.28 3ek1 h ILE 164 Cb 0.50 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 39.63 3ek1 h ILE 164 CO 0.02 0.73 -0.28 0.71 0.00 0.00 0.00 178.15 179.32 3ek1 h THR 165 N -0.17 0.56 0.00 -0.27 1.35 -1.28 -0.37 112.91 112.73 3ek1 h THR 165 Ca -0.17 -1.49 -0.03 0.00 -0.55 0.00 0.00 66.41 64.17 3ek1 h THR 165 Cb 1.76 2.04 -0.00 0.00 -1.73 0.00 0.00 68.15 70.21 3ek1 h THR 165 CO 0.19 0.28 -0.14 0.03 -0.25 0.00 0.00 175.52 175.62 3ek1 h ARG 166 N 0.00 0.00 0.00 4.72 3.08 -1.42 -2.47 114.38 118.29 3ek1 h ARG 166 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.65 3ek1 h ARG 166 Cb 1.02 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.00 3ek1 h ARG 166 CO 0.04 0.14 -2.42 1.63 -1.07 0.00 0.00 179.97 178.29 3ek1 n LYS 167 N -3.46 0.59 -0.01 0.04 5.02 -1.03 -4.47 118.16 114.84 3ek1 n LYS 167 Ca -0.01 0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 3ek1 n LYS 167 Cb 0.31 -1.46 0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3ek1 n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ek1 h ALA 168 N -0.37 0.72 0.05 7.82 0.00 -1.18 -2.61 119.26 123.69 3ek1 h ALA 168 Ca -0.59 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 3ek1 h ALA 168 Cb 1.74 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ek1 h ALA 168 CO -0.21 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 3ek1 h ALA 169 N 0.98 -0.07 -0.53 0.00 0.00 -1.65 -0.89 119.26 117.10 3ek1 h ALA 169 Ca 0.02 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3ek1 h ALA 169 Cb 1.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3ek1 h ALA 169 CO 0.10 -0.41 -0.06 -1.00 0.00 0.00 0.00 179.25 177.88 3ek1 h PRO 170 N -0.32 0.95 0.15 0.00 0.13 -1.78 -0.36 132.00 130.77 3ek1 h PRO 170 Ca -0.01 -0.31 -0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3ek1 h PRO 170 Cb 0.29 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 3ek1 h PRO 170 CO 0.01 0.97 -0.10 0.00 -0.23 0.00 0.00 178.00 178.65 3ek1 h ALA 171 N 1.06 -0.23 -0.42 -0.56 0.00 -1.33 -1.45 119.26 116.33 3ek1 h ALA 171 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 171 Cb 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3ek1 h ALA 171 CO 0.04 -0.64 0.08 -0.07 0.00 0.00 0.00 179.25 178.66 3ek1 h LEU 172 N -0.25 0.66 -1.22 0.00 4.07 -1.17 0.17 115.31 117.57 3ek1 h LEU 172 Ca -0.01 -0.25 0.10 0.00 0.08 0.00 0.00 57.88 57.80 3ek1 h LEU 172 Cb 0.22 -0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.72 3ek1 h LEU 172 CO 0.00 0.75 0.57 0.00 -1.08 0.00 0.00 178.44 178.68 3ek1 h ALA 173 N 0.94 1.67 0.00 1.53 0.00 -0.86 -1.12 119.26 121.42 3ek1 h ALA 173 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 173 Cb 0.36 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3ek1 h ALA 173 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3ek1 h ALA 174 N 1.56 1.00 0.00 0.00 0.00 -1.06 -3.43 119.26 117.34 3ek1 h ALA 174 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3ek1 h ALA 174 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ek1 h ALA 174 CO -0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.48 3ek1 n GLY 175 N -0.04 0.94 3.91 0.00 0.00 -0.42 -3.87 105.19 105.72 3ek1 n GLY 175 Ca 0.01 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 3ek1 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s THR 177 N -2.83 4.54 -0.08 0.00 -4.23 -1.12 -3.95 115.64 107.96 3ek1 s THR 177 Ca 0.50 -1.24 -0.06 0.00 -1.18 0.00 0.00 61.69 59.70 3ek1 s THR 177 Cb -0.10 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.25 3ek1 s THR 177 CO 0.45 -0.31 0.20 -0.32 -0.54 0.00 0.00 174.62 174.10 3ek1 s MET 178 N -3.93 0.21 -0.23 3.99 0.00 -0.55 -1.43 119.30 117.37 3ek1 s MET 178 Ca 0.35 0.31 -0.06 0.00 0.00 0.00 0.00 55.69 56.30 3ek1 s MET 178 Cb -0.08 0.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.79 3ek1 s MET 178 CO 0.27 -0.05 0.02 0.42 0.00 0.00 0.00 175.02 175.67 3ek1 s ILE 179 N 0.33 3.92 -0.23 10.11 1.01 -0.19 -2.28 121.20 133.87 3ek1 s ILE 179 Ca -0.02 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.22 3ek1 s ILE 179 Cb -0.03 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 3ek1 s ILE 179 CO -0.01 0.39 0.13 -0.69 0.00 0.00 0.00 174.94 174.76 3ek1 s VAL 180 N 1.42 5.20 -0.36 2.92 1.01 0.13 -0.54 120.40 130.18 3ek1 s VAL 180 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 3ek1 s VAL 180 Cb -0.15 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 32.88 3ek1 s VAL 180 CO 0.01 0.38 0.15 -0.60 0.00 0.00 0.00 175.10 175.04 3ek1 s ARG 181 N 0.89 2.62 0.78 2.72 3.52 0.12 -0.78 118.95 128.83 3ek1 s ARG 181 Ca 0.07 -1.24 -0.12 0.00 -0.13 0.00 0.00 55.73 54.31 3ek1 s ARG 181 Cb -0.13 -3.56 0.06 0.00 -1.56 0.00 0.00 34.95 29.76 3ek1 s ARG 181 CO 0.03 -0.74 1.15 -1.25 -0.81 0.00 0.00 175.30 173.68 3ek1 s PRO 182 N 1.42 2.17 0.21 5.12 0.04 -1.26 -1.63 135.00 141.08 3ek1 s PRO 182 Ca 0.00 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 60.90 3ek1 s PRO 182 Cb -0.20 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3ek1 s PRO 182 CO 0.03 -1.45 1.54 0.00 0.04 0.00 0.00 177.00 177.15 3ek1 s ALA 183 N -3.51 3.73 0.33 8.56 0.00 -0.85 -4.82 121.76 125.19 3ek1 s ALA 183 Ca 0.61 1.40 0.11 0.00 0.00 0.00 0.00 51.96 54.07 3ek1 s ALA 183 Cb -0.11 -3.61 0.93 0.00 0.00 0.00 0.00 23.12 20.33 3ek1 s ALA 183 CO 0.49 -0.80 1.72 -0.44 0.00 0.00 0.00 175.76 176.73 3ek1 h ASP 184 N 5.94 0.64 -0.10 0.00 3.32 -1.90 -0.52 116.42 123.80 3ek1 h ASP 184 Ca -0.44 0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3ek1 h ASP 184 Cb 1.21 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 3ek1 h ASP 184 CO 0.85 0.06 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.30 3ek1 h LEU 185 N 0.53 0.34 -5.87 1.55 3.38 -1.94 -3.38 115.31 109.93 3ek1 h LEU 185 Ca 0.66 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 58.08 3ek1 h LEU 185 Cb 1.32 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.58 3ek1 h LEU 185 CO -0.50 0.45 -1.13 0.35 0.09 0.00 0.00 178.44 177.71 3ek1 n THR 186 N -4.29 0.30 0.49 0.22 -2.24 -0.23 -4.77 114.28 103.76 3ek1 n THR 186 Ca 0.00 -4.67 0.12 0.00 -2.27 0.00 0.00 64.05 57.24 3ek1 n THR 186 Cb 0.25 -0.38 0.16 0.00 -2.10 0.00 0.00 70.33 68.26 3ek1 n THR 186 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ek1 h PRO 187 N 3.00 0.00 -0.12 -0.78 0.13 -1.66 -3.38 132.00 129.19 3ek1 h PRO 187 Ca 0.10 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.09 3ek1 h PRO 187 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 3ek1 h PRO 187 CO 0.54 0.00 -0.51 -0.07 -0.23 0.00 0.00 178.00 177.73 3ek1 h LEU 188 N 0.00 0.35 -0.23 1.56 3.38 -1.91 -2.30 115.31 116.15 3ek1 h LEU 188 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ek1 h LEU 188 Cb 0.79 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3ek1 h LEU 188 CO 0.00 0.80 0.12 0.74 0.09 0.00 0.00 178.44 180.19 3ek1 h THR 189 N 0.25 1.01 -0.38 0.22 2.02 -1.86 -0.68 112.91 113.49 3ek1 h THR 189 Ca 0.01 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.17 3ek1 h THR 189 Cb 0.98 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3ek1 h THR 189 CO 0.08 0.05 -0.01 0.00 0.37 0.00 0.00 175.52 176.01 3ek1 h ALA 190 N 1.11 0.33 -0.62 6.16 0.00 -1.60 -1.23 119.26 123.42 3ek1 h ALA 190 Ca 0.09 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 190 Cb 0.01 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3ek1 h ALA 190 CO -0.06 -0.41 0.25 -0.07 0.00 0.00 0.00 179.25 178.97 3ek1 h LEU 191 N 0.09 0.84 -0.60 0.00 3.38 -1.11 -0.65 115.31 117.26 3ek1 h LEU 191 Ca 0.18 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ek1 h LEU 191 Cb 0.26 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3ek1 h LEU 191 CO -0.32 0.78 0.35 0.00 0.09 0.00 0.00 178.44 179.34 3ek1 h ALA 192 N 1.10 0.78 -0.85 1.53 0.00 -0.73 -0.27 119.26 120.83 3ek1 h ALA 192 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 192 Cb 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3ek1 h ALA 192 CO -0.02 0.07 0.56 -0.07 0.00 0.00 0.00 179.25 179.79 3ek1 h LEU 193 N 0.69 0.94 -0.88 0.00 3.38 -0.76 -1.72 115.31 116.95 3ek1 h LEU 193 Ca 0.25 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 3ek1 h LEU 193 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ek1 h LEU 193 CO -0.12 0.67 -0.29 1.23 0.09 0.00 0.00 178.44 180.01 3ek1 h GLY 194 N 1.10 0.53 0.62 0.83 0.00 -0.23 0.71 103.07 106.63 3ek1 h GLY 194 Ca 0.32 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.24 3ek1 h GLY 194 CO -0.08 0.41 0.05 -2.08 0.00 0.00 0.00 176.54 174.84 3ek1 h VAL 195 N 0.42 0.84 0.00 4.60 2.07 -0.33 -1.86 116.25 121.99 3ek1 h VAL 195 Ca 0.06 -0.05 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 3ek1 h VAL 195 Cb 0.72 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3ek1 h VAL 195 CO 0.06 0.03 -0.55 -0.07 0.02 0.00 0.00 177.57 177.06 3ek1 h LEU 196 N 0.16 0.00 -0.50 2.57 3.38 -0.99 -2.13 115.31 117.80 3ek1 h LEU 196 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3ek1 h LEU 196 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3ek1 h LEU 196 CO -0.20 0.55 0.21 0.00 0.09 0.00 0.00 178.44 179.09 3ek1 h ALA 197 N 1.45 0.64 0.30 1.53 0.00 -0.63 -0.82 119.26 121.73 3ek1 h ALA 197 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ek1 h ALA 197 Cb 0.99 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ek1 h ALA 197 CO 0.07 0.24 -0.14 1.49 0.00 0.00 0.00 179.25 180.90 3ek1 h GLU 198 N 0.66 -0.39 -0.53 0.00 4.81 -1.18 -2.34 114.58 115.62 3ek1 h GLU 198 Ca 0.17 0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.58 3ek1 h GLU 198 Cb 0.17 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3ek1 h GLU 198 CO -0.02 -0.21 0.41 -0.22 -0.73 0.00 0.00 179.01 178.25 3ek1 h LYS 199 N -0.48 0.00 0.00 1.92 3.64 -1.30 -0.87 116.57 119.48 3ek1 h LYS 199 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ek1 h LYS 199 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3ek1 h LYS 199 CO 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.25 3ek1 h ALA 200 N 1.67 1.00 0.00 5.00 0.00 -0.65 -3.47 119.26 122.81 3ek1 h ALA 200 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3ek1 h ALA 200 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ek1 h ALA 200 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3ek1 n GLY 201 N 0.47 1.09 3.68 0.00 0.00 -0.33 -4.79 105.19 105.31 3ek1 n GLY 201 Ca 0.03 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 3.72 0.62 -0.61 1.01 -0.93 -4.97 121.20 118.03 3ek1 s ILE 202 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 60.65 61.54 3ek1 s ILE 202 Cb 0.00 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 3ek1 s ILE 202 CO 0.00 -0.03 1.10 -2.84 0.00 0.00 0.00 174.94 173.18 3ek1 s PRO 203 N 2.77 3.04 -0.38 2.79 0.02 -1.26 -4.66 135.00 137.33 3ek1 s PRO 203 Ca 0.65 1.40 -0.37 0.00 0.02 0.00 0.00 61.00 62.70 3ek1 s PRO 203 Cb -0.31 -1.98 -0.16 0.00 0.02 0.00 0.00 34.50 32.07 3ek1 s PRO 203 CO 0.26 -1.06 1.24 0.00 -0.33 0.00 0.00 177.00 177.12 3ek1 n ALA 204 N -2.06 -1.15 0.00 -1.55 0.00 -1.26 -0.81 120.51 113.67 3ek1 n ALA 204 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3ek1 n ALA 204 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3ek1 n ALA 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 205 N 3.07 2.72 0.16 0.00 0.00 -1.26 -4.69 105.19 105.19 3ek1 n GLY 205 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ek1 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek1 h VAL 206 N 0.00 0.79 -3.37 1.61 2.07 -1.27 -3.35 116.25 112.72 3ek1 h VAL 206 Ca 0.00 -0.85 -0.64 0.00 0.82 0.00 0.00 66.70 66.03 3ek1 h VAL 206 Cb 0.00 1.22 -0.23 0.00 -1.52 0.00 0.00 31.29 30.76 3ek1 h VAL 206 CO 0.00 0.17 -0.68 -0.22 0.02 0.00 0.00 177.57 176.86 3ek1 s LEU 207 N -9.27 3.17 0.01 2.57 2.96 -1.26 -1.48 118.68 115.39 3ek1 s LEU 207 Ca -0.14 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3ek1 s LEU 207 Cb 0.01 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 3ek1 s LEU 207 CO 0.52 0.10 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.40 3ek1 s GLN 208 N 0.76 1.12 -0.20 1.98 -0.21 -0.96 -4.78 119.66 117.38 3ek1 s GLN 208 Ca -0.01 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.72 3ek1 s GLN 208 Cb -0.14 -1.12 0.04 0.00 1.00 0.00 0.00 33.01 32.79 3ek1 s GLN 208 CO 0.02 0.30 -0.08 0.42 -2.12 0.00 0.00 175.29 173.82 3ek1 s ILE 209 N -0.57 1.48 -0.02 1.08 1.01 -0.35 -0.69 121.20 123.13 3ek1 s ILE 209 Ca 0.04 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.82 3ek1 s ILE 209 Cb -0.07 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 3ek1 s ILE 209 CO 0.00 0.12 -0.21 0.68 0.00 0.00 0.00 174.94 175.53 3ek1 s VAL 210 N 1.46 2.45 0.13 2.92 -7.23 0.04 -2.04 120.40 118.13 3ek1 s VAL 210 Ca -0.01 -0.99 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 3ek1 s VAL 210 Cb -0.16 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3ek1 s VAL 210 CO -0.08 0.56 -0.23 0.42 -0.31 0.00 0.00 175.10 175.47 3ek1 s THR 211 N -0.68 1.97 -5.00 5.32 -4.23 -1.26 -4.02 115.64 107.75 3ek1 s THR 211 Ca 0.11 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3ek1 s THR 211 Cb -0.10 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.93 3ek1 s THR 211 CO -0.00 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 3ek1 n GLY 212 N 0.81 0.03 3.69 3.99 0.00 -1.26 -0.47 105.19 111.98 3ek1 n GLY 212 Ca -0.17 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 213 N -2.00 4.15 0.12 1.61 -0.14 -1.26 -4.87 119.74 117.35 3ek1 s LYS 213 Ca 0.00 2.52 -0.23 0.00 -1.36 0.00 0.00 55.97 56.90 3ek1 s LYS 213 Cb 0.00 -3.60 -0.06 0.00 -1.68 0.00 0.00 37.83 32.49 3ek1 s LYS 213 CO 0.00 -0.81 1.68 0.00 -0.76 0.00 0.00 175.35 175.46 3ek1 h ALA 214 N 8.55 -0.08 -0.47 5.17 0.00 -1.98 -1.36 119.26 129.09 3ek1 h ALA 214 Ca -0.45 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3ek1 h ALA 214 Cb 1.21 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3ek1 h ALA 214 CO 0.94 -0.59 0.07 -0.09 0.00 0.00 0.00 179.25 179.58 3ek1 h ARG 215 N -0.17 0.79 -0.22 0.00 2.43 -1.98 0.85 114.38 116.08 3ek1 h ARG 215 Ca 0.06 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.94 3ek1 h ARG 215 Cb 0.26 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 3ek1 h ARG 215 CO -0.16 0.80 -0.16 0.93 -1.51 0.00 0.00 179.97 179.87 3ek1 h GLU 216 N 0.65 0.50 -0.27 0.20 3.07 -1.94 -0.52 114.58 116.26 3ek1 h GLU 216 Ca 0.14 -0.24 -0.15 0.00 -0.50 0.00 0.00 59.36 58.61 3ek1 h GLU 216 Cb 0.40 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 3ek1 h GLU 216 CO 0.01 0.81 -0.41 0.82 -1.40 0.00 0.00 179.01 178.84 3ek1 h ILE 217 N 0.19 1.30 -0.89 3.13 2.04 -1.19 -2.01 117.51 120.08 3ek1 h ILE 217 Ca 0.04 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.28 3ek1 h ILE 217 Cb 0.69 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3ek1 h ILE 217 CO 0.04 0.51 0.49 1.23 0.00 0.00 0.00 178.15 180.43 3ek1 h GLY 218 N 0.51 1.33 1.00 5.37 0.00 -0.83 0.70 103.07 111.14 3ek1 h GLY 218 Ca 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 3ek1 h GLY 218 CO 0.09 0.57 0.27 0.00 0.00 0.00 0.00 176.54 177.48 3ek1 h ALA 219 N 1.29 0.81 -0.21 3.60 0.00 -0.91 -1.59 119.26 122.25 3ek1 h ALA 219 Ca 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 219 Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ek1 h ALA 219 CO -0.05 0.40 -0.03 1.49 0.00 0.00 0.00 179.25 181.05 3ek1 h GLU 220 N 0.86 0.40 -0.51 0.00 4.57 -0.82 -1.97 114.58 117.11 3ek1 h GLU 220 Ca 0.21 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3ek1 h GLU 220 Cb 0.17 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 3ek1 h GLU 220 CO -0.02 0.63 0.34 -0.07 -1.18 0.00 0.00 179.01 178.70 3ek1 h LEU 221 N 0.14 0.55 0.00 1.64 3.38 -0.67 0.95 115.31 121.29 3ek1 h LEU 221 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ek1 h LEU 221 Cb 0.47 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3ek1 h LEU 221 CO 0.02 0.39 -0.72 0.71 0.09 0.00 0.00 178.44 178.93 3ek1 h THR 222 N 0.64 0.00 0.00 0.22 1.35 -1.26 -3.35 112.91 110.51 3ek1 h THR 222 Ca 0.20 -0.96 -0.09 0.00 -0.55 0.00 0.00 66.41 65.01 3ek1 h THR 222 Cb -0.00 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.00 3ek1 h THR 222 CO -0.05 0.00 -2.04 -1.54 -0.25 0.00 0.00 175.52 171.64 3ek1 n SER 223 N -2.74 0.05 -4.68 5.36 3.41 -0.69 -4.50 113.62 109.83 3ek1 n SER 223 Ca 0.01 0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.22 3ek1 n SER 223 Cb 0.54 1.68 -0.03 0.00 -0.26 0.00 0.00 64.21 66.14 3ek1 n SER 223 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ek1 s ASN 224 N -4.80 6.88 0.44 4.04 3.84 0.24 -4.91 114.94 120.67 3ek1 s ASN 224 Ca -0.08 2.04 0.22 0.00 0.21 0.00 0.00 52.86 55.25 3ek1 s ASN 224 Cb 0.12 -2.56 0.97 0.00 -0.55 0.00 0.00 41.25 39.23 3ek1 s ASN 224 CO 0.89 -0.71 1.87 0.44 -2.79 0.00 0.00 177.10 176.79 3ek1 h ASP 225 N 7.90 0.00 -0.24 -4.21 5.19 -1.91 -2.49 116.42 120.66 3ek1 h ASP 225 Ca -0.36 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.04 3ek1 h ASP 225 Cb 1.17 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 3ek1 h ASP 225 CO 0.91 0.26 0.13 0.74 -3.12 0.00 0.00 179.24 178.16 3ek1 h THR 226 N 0.00 1.10 -3.08 0.35 2.02 -1.96 -3.39 112.91 107.94 3ek1 h THR 226 Ca -0.00 -0.27 -0.57 0.00 0.77 0.00 0.00 66.41 66.34 3ek1 h THR 226 Cb 0.67 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3ek1 h THR 226 CO 0.03 0.11 0.76 -0.69 0.37 0.00 0.00 175.52 176.10 3ek1 s VAL 227 N -5.26 4.55 -1.39 3.16 1.01 -0.94 -4.23 120.40 117.31 3ek1 s VAL 227 Ca -0.07 1.86 0.14 0.00 0.00 0.00 0.00 61.98 63.91 3ek1 s VAL 227 Cb 0.17 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3ek1 s VAL 227 CO 0.72 -0.11 0.81 0.54 0.00 0.00 0.00 175.10 177.07 3ek1 n ARG 228 N 5.96 1.68 -3.66 2.72 1.74 0.07 -4.92 116.66 120.25 3ek1 n ARG 228 Ca 0.12 -0.85 -0.09 0.00 -0.77 0.00 0.00 57.85 56.25 3ek1 n ARG 228 Cb 0.46 -1.22 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -1.63 0.64 -0.07 5.56 2.47 -1.22 -2.26 119.74 123.22 3ek1 s LYS 229 Ca 0.13 1.06 0.04 0.00 -1.56 0.00 0.00 55.97 55.64 3ek1 s LYS 229 Cb 0.11 0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.61 3ek1 s LYS 229 CO 0.32 -0.14 -0.19 -1.17 0.16 0.00 0.00 175.35 174.33 3ek1 s LEU 230 N 1.34 2.40 -0.15 5.43 2.96 -0.05 -0.88 118.68 129.73 3ek1 s LEU 230 Ca -0.08 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3ek1 s LEU 230 Cb -0.06 -1.48 0.02 0.00 0.50 0.00 0.00 46.19 45.18 3ek1 s LEU 230 CO -0.14 0.25 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.43 3ek1 s SER 231 N -0.19 2.78 -0.06 3.68 0.15 0.26 -0.51 113.70 119.83 3ek1 s SER 231 Ca -0.02 -0.52 0.03 0.00 0.70 0.00 0.00 55.95 56.14 3ek1 s SER 231 Cb -0.13 -1.25 0.01 0.00 -1.71 0.00 0.00 66.02 62.94 3ek1 s SER 231 CO 0.03 -0.04 -0.14 0.12 1.20 0.00 0.00 173.24 174.41 3ek1 s PHE 232 N 1.42 1.56 -0.14 3.44 5.36 -0.01 -1.73 117.98 127.87 3ek1 s PHE 232 Ca 0.05 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.50 3ek1 s PHE 232 Cb -0.13 -1.10 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 3ek1 s PHE 232 CO -0.11 -0.24 -0.18 0.99 -1.46 0.00 0.00 175.22 174.22 3ek1 s THR 233 N 0.41 2.44 -0.66 0.12 2.01 -1.00 -1.01 115.64 117.96 3ek1 s THR 233 Ca -0.11 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.04 3ek1 s THR 233 Cb -0.14 -2.00 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3ek1 s THR 233 CO 0.03 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3ek1 n GLY 234 N 3.94 -0.68 3.78 4.40 0.00 -0.56 -3.49 105.19 112.58 3ek1 n GLY 234 Ca -0.19 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 3ek1 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 235 N -4.00 6.80 0.30 1.61 1.04 -1.26 -3.95 113.70 114.24 3ek1 s SER 235 Ca 0.00 2.07 0.01 0.00 0.48 0.00 0.00 55.95 58.51 3ek1 s SER 235 Cb 0.00 -2.59 0.53 0.00 0.10 0.00 0.00 66.02 64.06 3ek1 s SER 235 CO 0.00 -0.46 1.92 0.74 0.98 0.00 0.00 173.24 176.42 3ek1 h THR 236 N 2.29 1.09 -0.53 2.02 2.02 -1.92 -0.48 112.91 117.40 3ek1 h THR 236 Ca -0.48 -0.35 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 3ek1 h THR 236 Cb 1.22 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3ek1 h THR 236 CO 0.63 0.19 0.06 -0.33 0.37 0.00 0.00 175.52 176.44 3ek1 h GLU 237 N 1.03 0.89 -0.23 6.66 3.07 -1.98 -1.22 114.58 122.79 3ek1 h GLU 237 Ca 0.37 -0.25 -0.14 0.00 -0.50 0.00 0.00 59.36 58.84 3ek1 h GLU 237 Cb 0.15 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3ek1 h GLU 237 CO -0.13 0.88 -0.43 0.28 -1.40 0.00 0.00 179.01 178.21 3ek1 h VAL 238 N 0.77 1.30 -0.35 3.13 2.07 -1.88 -2.90 116.25 118.40 3ek1 h VAL 238 Ca 0.16 -1.62 0.07 0.00 0.82 0.00 0.00 66.70 66.13 3ek1 h VAL 238 Cb 0.44 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 3ek1 h VAL 238 CO 0.02 0.51 -0.12 1.23 0.02 0.00 0.00 177.57 179.22 3ek1 h GLY 239 N 1.05 0.19 0.96 2.17 0.00 -0.78 0.77 103.07 107.43 3ek1 h GLY 239 Ca 0.03 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3ek1 h GLY 239 CO 0.08 -0.16 0.56 3.21 0.00 0.00 0.00 176.54 180.24 3ek1 h ARG 240 N -0.05 1.09 -0.28 4.80 3.08 -1.23 -0.76 114.38 121.05 3ek1 h ARG 240 Ca 0.17 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3ek1 h ARG 240 Cb 0.31 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3ek1 h ARG 240 CO -0.39 0.72 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.14 3ek1 h LEU 241 N 1.13 0.50 -0.67 3.04 3.38 -1.19 -2.68 115.31 118.82 3ek1 h LEU 241 Ca 0.32 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ek1 h LEU 241 Cb -0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3ek1 h LEU 241 CO -0.09 0.71 0.41 -0.07 0.09 0.00 0.00 178.44 179.49 3ek1 h LEU 242 N 0.28 0.65 -1.00 1.67 3.38 -0.57 0.17 115.31 119.90 3ek1 h LEU 242 Ca 0.08 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3ek1 h LEU 242 Cb 0.47 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3ek1 h LEU 242 CO 0.02 0.45 0.41 -0.03 0.09 0.00 0.00 178.44 179.37 3ek1 h MET 243 N 0.79 1.12 -0.35 1.13 4.05 -1.12 0.21 114.93 120.76 3ek1 h MET 243 Ca 0.27 -0.14 -0.09 0.00 -0.28 0.00 0.00 59.70 59.46 3ek1 h MET 243 Cb 0.05 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3ek1 h MET 243 CO -0.12 0.84 -0.15 0.00 0.23 0.00 0.00 176.91 177.70 3ek1 h ALA 244 N 1.33 0.48 0.00 0.39 0.00 -1.03 -2.79 119.26 117.65 3ek1 h ALA 244 Ca 0.28 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 244 Cb 0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3ek1 h ALA 244 CO -0.04 0.39 -0.09 1.96 0.00 0.00 0.00 179.25 181.47 3ek1 h GLN 245 N 0.49 0.00 0.00 0.00 4.20 0.32 -1.75 115.11 118.37 3ek1 h GLN 245 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3ek1 h GLN 245 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3ek1 h GLN 245 CO 0.05 0.09 0.00 0.00 -0.67 0.00 0.00 178.83 178.30 3ek1 h ALA 247 N 2.06 1.35 0.00 0.00 0.00 -1.05 -1.38 119.26 120.24 3ek1 h ALA 247 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 247 Cb 0.82 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ek1 h ALA 247 CO 0.00 0.59 -0.04 -1.35 0.00 0.00 0.00 179.25 178.46 3ek1 h PRO 248 N 1.20 0.00 -0.07 0.00 0.11 -1.75 -2.47 132.00 129.02 3ek1 h PRO 248 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3ek1 h PRO 248 Cb -0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.99 3ek1 h PRO 248 CO -0.07 0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.01 3ek1 n THR 249 N -3.25 0.91 -2.92 -1.15 -2.24 -1.11 -5.02 114.28 99.50 3ek1 n THR 249 Ca -0.01 -0.96 -0.19 0.00 -2.27 0.00 0.00 64.05 60.62 3ek1 n THR 249 Cb 0.20 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 69.01 3ek1 n THR 249 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ek1 n ILE 250 N -0.23 -1.73 -1.99 2.28 2.08 -0.55 -4.90 119.36 114.31 3ek1 n ILE 250 Ca 0.03 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.99 3ek1 n ILE 250 Cb 0.27 -3.11 0.03 0.00 -0.75 0.00 0.00 39.64 36.08 3ek1 n ILE 250 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3ek1 s LYS 251 N -5.53 3.00 0.27 0.38 1.02 -1.02 -4.96 119.74 112.89 3ek1 s LYS 251 Ca 0.27 1.64 -0.29 0.00 0.02 0.00 0.00 55.97 57.60 3ek1 s LYS 251 Cb -0.12 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 3ek1 s LYS 251 CO 0.33 -1.14 1.33 1.03 -0.92 0.00 0.00 175.35 175.98 3ek1 s ARG 252 N -3.54 4.36 -0.01 1.68 1.81 -0.96 -4.93 118.95 117.36 3ek1 s ARG 252 Ca 0.73 2.16 0.01 0.00 -1.72 0.00 0.00 55.73 56.91 3ek1 s ARG 252 Cb -0.26 -3.12 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 3ek1 s ARG 252 CO 0.34 -0.24 -0.03 -1.50 -0.68 0.00 0.00 175.30 173.19 3ek1 s ILE 253 N -0.48 0.29 -0.07 1.52 2.07 -1.26 -0.87 121.20 122.39 3ek1 s ILE 253 Ca 0.54 -0.11 0.02 0.00 -1.41 0.00 0.00 60.65 59.69 3ek1 s ILE 253 Cb -0.39 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 3ek1 s ILE 253 CO 0.45 0.11 -0.12 -0.44 -1.91 0.00 0.00 174.94 173.03 3ek1 s SER 254 N 0.20 4.22 -0.03 4.50 0.01 0.34 -4.80 113.70 118.13 3ek1 s SER 254 Ca -0.02 -0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.07 3ek1 s SER 254 Cb -0.05 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.14 3ek1 s SER 254 CO -0.00 0.32 0.02 -0.76 0.41 0.00 0.00 173.24 173.23 3ek1 s LEU 255 N -0.56 0.91 -0.25 2.44 1.43 -0.58 -0.83 118.68 121.23 3ek1 s LEU 255 Ca 0.08 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 3ek1 s LEU 255 Cb -0.12 -0.17 0.04 0.00 0.03 0.00 0.00 46.19 45.97 3ek1 s LEU 255 CO 0.02 -0.14 -0.07 -0.70 0.23 0.00 0.00 176.35 175.68 3ek1 s GLU 256 N 1.31 2.67 0.00 1.70 2.12 -0.18 0.35 118.70 126.67 3ek1 s GLU 256 Ca -0.06 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.19 3ek1 s GLU 256 Cb -0.13 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.30 3ek1 s GLU 256 CO -0.03 -0.45 0.00 1.28 -0.54 0.00 0.00 175.26 175.52 3ek1 n LEU 257 N 4.61 0.00 -4.82 2.70 4.77 0.82 -1.50 117.00 123.58 3ek1 n LEU 257 Ca -0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.50 3ek1 n LEU 257 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 3ek1 n LEU 257 CO 0.26 0.00 0.70 -0.83 -1.33 0.00 0.00 177.39 176.19 3ek1 s GLY 258 N 0.00 2.14 0.00 -0.72 0.00 -1.25 -4.84 107.32 102.64 3ek1 s GLY 258 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 44.72 45.05 3ek1 s GLY 258 CO 0.00 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.34 3ek1 n GLY 259 N -1.16 3.87 2.72 0.20 0.00 -1.25 -4.34 105.19 105.23 3ek1 n GLY 259 Ca 0.08 -2.20 -0.07 0.00 0.00 0.00 0.00 46.02 43.83 3ek1 n GLY 259 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ek1 n ASN 260 N -1.30 -2.35 -4.70 1.61 5.15 -1.26 -4.75 115.26 107.67 3ek1 n ASN 260 Ca 0.00 -3.11 -0.42 0.00 -0.60 0.00 0.00 54.58 50.45 3ek1 n ASN 260 Cb 0.00 1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 40.89 3ek1 n ASN 260 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ek1 s ALA 261 N 0.42 3.75 0.17 5.20 0.00 -1.26 -4.76 121.76 125.28 3ek1 s ALA 261 Ca 0.27 1.36 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 3ek1 s ALA 261 Cb 0.25 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3ek1 s ALA 261 CO -0.16 -1.10 0.49 -1.25 0.00 0.00 0.00 175.76 173.74 3ek1 s PRO 262 N 2.38 3.78 -0.25 0.00 0.04 -1.26 -1.10 135.00 138.58 3ek1 s PRO 262 Ca 0.76 0.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.01 3ek1 s PRO 262 Cb -0.44 -2.79 0.07 0.00 0.04 0.00 0.00 34.50 31.39 3ek1 s PRO 262 CO 0.34 0.41 0.03 0.12 0.04 0.00 0.00 177.00 177.94 3ek1 s PHE 263 N -1.66 1.86 -0.16 0.56 5.36 -0.40 -0.65 117.98 122.90 3ek1 s PHE 263 Ca 0.42 -1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 54.80 3ek1 s PHE 263 Cb -0.12 -1.54 -0.02 0.00 -0.34 0.00 0.00 43.02 40.99 3ek1 s PHE 263 CO 0.21 -0.77 -0.04 0.42 -1.46 0.00 0.00 175.22 173.58 3ek1 s ILE 264 N 1.57 3.77 -0.21 3.12 1.01 0.22 -0.23 121.20 130.46 3ek1 s ILE 264 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.27 3ek1 s ILE 264 Cb -0.18 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3ek1 s ILE 264 CO -0.13 0.48 -0.14 -0.69 0.00 0.00 0.00 174.94 174.47 3ek1 s VAL 265 N 0.51 2.43 0.42 2.92 1.01 0.60 -0.95 120.40 127.33 3ek1 s VAL 265 Ca -0.04 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 3ek1 s VAL 265 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3ek1 s VAL 265 CO 0.03 0.38 0.65 -0.36 0.00 0.00 0.00 175.10 175.80 3ek1 s PHE 266 N 1.30 3.41 0.47 5.22 0.08 -0.96 -1.34 117.98 126.15 3ek1 s PHE 266 Ca 0.02 0.41 0.22 0.00 0.12 0.00 0.00 56.93 57.70 3ek1 s PHE 266 Cb -0.15 -2.14 1.22 0.00 -0.57 0.00 0.00 43.02 41.38 3ek1 s PHE 266 CO -0.09 -0.15 1.90 -0.44 -0.10 0.00 0.00 175.22 176.34 3ek1 h ASP 267 N 0.50 0.24 -0.55 1.36 3.32 -1.89 -0.09 116.42 119.31 3ek1 h ASP 267 Ca -0.48 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3ek1 h ASP 267 Cb 1.23 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ek1 h ASP 267 CO 0.60 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 3ek1 n ASP 268 N -4.43 4.04 -4.74 6.45 5.75 -1.26 -4.93 116.55 117.44 3ek1 n ASP 268 Ca 0.16 -2.35 -0.35 0.00 -0.01 0.00 0.00 54.79 52.24 3ek1 n ASP 268 Cb 0.70 -0.52 0.07 0.00 -1.03 0.00 0.00 41.12 40.34 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek1 s ALA 269 N -1.77 2.27 -0.68 2.12 0.00 -0.05 -2.95 121.76 120.71 3ek1 s ALA 269 Ca 0.43 0.90 -0.26 0.00 0.00 0.00 0.00 51.96 53.02 3ek1 s ALA 269 Cb 0.27 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 3ek1 s ALA 269 CO 0.21 -1.63 1.74 0.34 0.00 0.00 0.00 175.76 176.43 3ek1 s ASP 270 N -1.94 5.47 0.17 0.00 -1.08 -1.26 -4.90 116.67 113.13 3ek1 s ASP 270 Ca 0.75 0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 52.68 3ek1 s ASP 270 Cb -0.29 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.70 3ek1 s ASP 270 CO 0.42 -2.28 1.74 0.25 0.52 0.00 0.00 175.17 175.82 3ek1 h LEU 271 N 15.77 0.75 -0.62 -1.34 5.85 -1.94 0.47 115.31 134.26 3ek1 h LEU 271 Ca -0.22 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3ek1 h LEU 271 Cb 1.12 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 3ek1 h LEU 271 CO 1.24 0.68 0.14 0.44 -0.34 0.00 0.00 178.44 180.60 3ek1 h ASP 272 N 0.77 0.95 -0.76 1.25 3.32 -2.00 -1.03 116.42 118.91 3ek1 h ASP 272 Ca 0.19 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.96 3ek1 h ASP 272 Cb 0.14 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3ek1 h ASP 272 CO -0.02 0.94 0.29 0.00 -1.72 0.00 0.00 179.24 178.72 3ek1 h ALA 273 N 1.04 0.99 -0.40 3.45 0.00 -1.74 -1.95 119.26 120.65 3ek1 h ALA 273 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 273 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ek1 h ALA 273 CO 0.00 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.11 3ek1 h ALA 274 N 1.15 1.64 -0.13 0.00 0.00 0.47 -0.85 119.26 121.53 3ek1 h ALA 274 Ca 0.25 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 274 Cb 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ek1 h ALA 274 CO -0.02 0.31 -0.37 0.28 0.00 0.00 0.00 179.25 179.46 3ek1 h VAL 275 N 0.56 1.37 -1.00 0.00 2.07 -0.49 -0.48 116.25 118.27 3ek1 h VAL 275 Ca 0.14 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3ek1 h VAL 275 Cb 0.01 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3ek1 h VAL 275 CO -0.02 0.50 0.65 0.44 0.02 0.00 0.00 177.57 179.15 3ek1 h ASP 276 N 0.09 1.07 -0.49 0.57 3.32 -1.04 -0.39 116.42 119.56 3ek1 h ASP 276 Ca -0.01 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3ek1 h ASP 276 Cb 0.98 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.28 3ek1 h ASP 276 CO 0.08 0.71 0.14 1.23 -1.72 0.00 0.00 179.24 179.68 3ek1 h GLY 277 N 1.23 0.82 1.10 2.75 0.00 -1.05 -1.25 103.07 106.67 3ek1 h GLY 277 Ca 0.41 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3ek1 h GLY 277 CO -0.14 0.47 0.25 0.00 0.00 0.00 0.00 176.54 177.11 3ek1 h ALA 278 N 1.00 1.04 -0.12 3.60 0.00 -0.73 -0.56 119.26 123.50 3ek1 h ALA 278 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 278 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3ek1 h ALA 278 CO -0.00 0.65 0.06 0.52 0.00 0.00 0.00 179.25 180.48 3ek1 h MET 279 N 1.09 0.17 -0.15 0.00 2.07 -0.77 -0.02 114.93 117.33 3ek1 h MET 279 Ca 0.24 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.83 3ek1 h MET 279 Cb 0.28 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.97 3ek1 h MET 279 CO -0.01 0.22 0.01 0.28 1.07 0.00 0.00 176.91 178.48 3ek1 h VAL 280 N 0.08 1.24 0.00 -2.22 2.07 -0.99 0.16 116.25 116.58 3ek1 h VAL 280 Ca 0.04 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3ek1 h VAL 280 Cb 0.11 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3ek1 h VAL 280 CO -0.01 0.23 0.00 0.77 0.02 0.00 0.00 177.57 178.58 3ek1 h SER 281 N 0.01 0.00 0.00 0.57 4.64 -1.06 -3.03 113.55 114.68 3ek1 h SER 281 Ca 0.04 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 3ek1 h SER 281 Cb 0.33 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 3ek1 h SER 281 CO 0.01 0.00 -1.93 1.17 -0.87 0.00 0.00 176.83 175.20 3ek1 n LYS 282 N -2.66 0.58 0.00 4.77 3.00 -0.03 -0.81 118.16 123.01 3ek1 n LYS 282 Ca 0.04 0.41 0.10 0.00 -0.00 0.00 0.00 58.31 58.86 3ek1 n LYS 282 Cb 0.44 -1.61 -0.11 0.00 0.00 0.00 0.00 35.03 33.75 3ek1 n LYS 282 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ek1 n TYR 283 N -4.34 0.00 -1.69 5.64 4.01 0.54 -2.74 117.16 118.58 3ek1 n TYR 283 Ca -0.44 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 56.92 3ek1 n TYR 283 Cb 0.78 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.87 3ek1 n TYR 283 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ek1 n ARG 284 N -1.40 1.24 -1.55 -0.72 3.00 -1.14 -1.30 116.66 114.78 3ek1 n ARG 284 Ca 0.04 0.47 -0.14 0.00 -0.01 0.00 0.00 57.85 58.21 3ek1 n ARG 284 Cb 0.34 -2.39 -0.05 0.00 0.00 0.00 0.00 32.46 30.35 3ek1 n ARG 284 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3ek1 n ASN 285 N -1.08 -3.78 -3.80 0.55 5.15 -1.26 -0.80 115.26 110.24 3ek1 n ASN 285 Ca 0.13 0.32 -0.29 0.00 -0.60 0.00 0.00 54.58 54.14 3ek1 n ASN 285 Cb 0.46 -3.45 0.03 0.00 -0.53 0.00 0.00 39.78 36.29 3ek1 n ASN 285 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ek1 n ALA 286 N 0.20 -1.25 -1.19 5.20 0.00 -0.42 -2.39 120.51 120.66 3ek1 n ALA 286 Ca -0.14 0.23 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 3ek1 n ALA 286 Cb 0.48 -4.54 -0.03 0.00 0.00 0.00 0.00 19.45 15.37 3ek1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 287 N -1.70 0.85 1.90 0.00 0.00 0.02 -2.83 105.19 103.42 3ek1 n GLY 287 Ca 0.03 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.72 3ek1 n GLY 287 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ek1 n GLN 288 N -2.19 4.79 -3.87 1.61 6.02 -1.01 -2.84 117.38 119.90 3ek1 n GLN 288 Ca -0.07 -3.12 -0.25 0.00 -0.01 0.00 0.00 57.00 53.56 3ek1 n GLN 288 Cb 0.29 -2.26 -0.03 0.00 1.02 0.00 0.00 30.24 29.26 3ek1 n GLN 288 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ek1 s THR 289 N -2.76 5.28 -1.20 5.09 -4.23 -1.26 -4.79 115.64 111.76 3ek1 s THR 289 Ca 0.54 -0.66 0.29 0.00 -1.18 0.00 0.00 61.69 60.68 3ek1 s THR 289 Cb 0.41 -3.77 0.36 0.00 1.34 0.00 0.00 72.50 70.84 3ek1 s THR 289 CO 0.16 -0.18 1.96 0.00 -0.54 0.00 0.00 174.62 176.02 3ek1 n VAL 291 N -1.39 0.05 -1.71 0.00 0.24 -1.26 -3.91 118.33 110.35 3ek1 n VAL 291 Ca 0.10 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 3ek1 n VAL 291 Cb 0.30 1.45 -0.00 0.00 -1.47 0.00 0.00 33.84 34.12 3ek1 n VAL 291 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 n ALA 293 N 0.23 0.70 -0.09 0.00 0.00 0.01 -4.13 120.51 117.24 3ek1 n ALA 293 Ca 0.05 0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 3ek1 n ALA 293 Cb 0.37 -2.43 -0.12 0.00 0.00 0.00 0.00 19.45 17.28 3ek1 n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ek1 n ASN 294 N 5.99 1.46 -3.88 0.00 5.15 -0.26 -4.74 115.26 118.97 3ek1 n ASN 294 Ca 0.23 -0.03 -0.27 0.00 -0.60 0.00 0.00 54.58 53.91 3ek1 n ASN 294 Cb 0.26 0.54 -0.17 0.00 -0.53 0.00 0.00 39.78 39.88 3ek1 n ASN 294 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3ek1 s ARG 295 N -2.39 1.39 -0.42 1.20 0.52 -0.85 -4.59 118.95 113.81 3ek1 s ARG 295 Ca -0.14 -0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 3ek1 s ARG 295 Cb 0.05 -1.58 0.06 0.00 0.52 0.00 0.00 34.95 34.01 3ek1 s ARG 295 CO 0.60 -0.30 0.28 0.42 0.02 0.00 0.00 175.30 176.32 3ek1 s ILE 296 N 1.73 4.64 -0.15 1.52 1.01 -0.63 -1.27 121.20 128.06 3ek1 s ILE 296 Ca 0.04 -1.10 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 3ek1 s ILE 296 Cb -0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3ek1 s ILE 296 CO -0.08 -0.42 0.34 -0.31 0.00 0.00 0.00 174.94 174.47 3ek1 s TYR 297 N 1.53 3.47 -0.06 3.97 2.02 0.68 -0.21 117.35 128.75 3ek1 s TYR 297 Ca 0.03 0.67 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 3ek1 s TYR 297 Cb -0.22 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 38.96 3ek1 s TYR 297 CO 0.05 0.21 -0.04 0.08 -1.57 0.00 0.00 175.55 174.28 3ek1 s VAL 298 N 0.54 0.61 0.56 0.71 1.01 0.12 -0.29 120.40 123.66 3ek1 s VAL 298 Ca 0.19 -0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 3ek1 s VAL 298 Cb -0.14 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3ek1 s VAL 298 CO 0.05 0.26 1.25 -1.58 0.00 0.00 0.00 175.10 175.09 3ek1 s GLN 299 N 1.24 3.12 0.21 2.72 0.74 -0.45 -2.16 119.66 125.08 3ek1 s GLN 299 Ca -0.06 1.96 -0.09 0.00 0.05 0.00 0.00 55.36 57.22 3ek1 s GLN 299 Cb -0.14 -2.10 0.23 0.00 1.10 0.00 0.00 33.01 32.10 3ek1 s GLN 299 CO -0.02 -1.13 1.81 -0.09 -0.55 0.00 0.00 175.29 175.32 3ek1 h ARG 300 N 1.23 0.70 -0.45 1.67 9.65 -1.21 -1.45 114.38 124.51 3ek1 h ARG 300 Ca -0.50 -0.04 0.12 0.00 -1.10 0.00 0.00 59.98 58.45 3ek1 h ARG 300 Cb 1.29 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 3ek1 h ARG 300 CO 0.56 0.46 0.32 0.78 2.80 0.00 0.00 179.97 184.89 3ek1 h GLY 301 N 0.72 0.09 -0.68 2.80 0.00 -1.90 -2.80 103.07 101.29 3ek1 h GLY 301 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3ek1 h GLY 301 CO -0.17 0.01 0.00 3.33 0.00 0.00 0.00 176.54 179.72 3ek1 n VAL 302 N -4.42 0.54 0.22 4.60 0.24 -0.58 -4.81 118.33 114.12 3ek1 n VAL 302 Ca 0.08 -0.77 -0.16 0.00 -2.04 0.00 0.00 64.34 61.45 3ek1 n VAL 302 Cb 0.48 0.79 -0.08 0.00 -1.47 0.00 0.00 33.84 33.57 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 1.29 -1.07 -0.20 6.34 3.20 -1.17 0.74 116.97 126.10 3ek1 h TYR 303 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ek1 h TYR 303 Cb 0.48 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3ek1 h TYR 303 CO 0.08 -0.53 0.11 -0.44 -1.64 0.00 0.00 178.16 175.74 3ek1 h ASP 304 N -0.77 0.25 -0.74 -2.11 3.32 -1.87 -0.91 116.42 113.58 3ek1 h ASP 304 Ca -0.02 -0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.00 3ek1 h ASP 304 Cb 0.71 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 3ek1 h ASP 304 CO -0.09 0.26 0.45 0.50 -1.72 0.00 0.00 179.24 178.63 3ek1 h LYS 305 N 0.23 0.83 0.16 3.56 3.64 -1.85 -0.70 116.57 122.44 3ek1 h LYS 305 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 3ek1 h LYS 305 Cb 0.06 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3ek1 h LYS 305 CO -0.01 0.55 -0.08 0.35 -2.27 0.00 0.00 179.45 177.99 3ek1 h PHE 306 N 0.86 -0.20 -0.62 1.91 3.57 -0.69 -1.69 116.94 120.08 3ek1 h PHE 306 Ca 0.31 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.92 3ek1 h PHE 306 Cb 0.09 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.82 3ek1 h PHE 306 CO -0.05 -0.03 0.18 0.00 -2.23 0.00 0.00 178.31 176.18 3ek1 h ALA 307 N 0.50 0.77 -0.25 2.41 0.00 -0.73 0.28 119.26 122.24 3ek1 h ALA 307 Ca -0.02 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 307 Cb 0.26 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ek1 h ALA 307 CO 0.04 -0.26 0.07 0.93 0.00 0.00 0.00 179.25 180.03 3ek1 h GLU 308 N 0.32 0.40 -0.74 0.00 5.08 -1.03 0.16 114.58 118.78 3ek1 h GLU 308 Ca 0.32 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3ek1 h GLU 308 Cb 0.46 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 3ek1 h GLU 308 CO -0.37 0.48 0.49 0.87 -1.00 0.00 0.00 179.01 179.47 3ek1 h LYS 309 N 0.24 0.97 -0.72 2.33 1.57 -0.76 -1.97 116.57 118.23 3ek1 h LYS 309 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3ek1 h LYS 309 Cb 0.25 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3ek1 h LYS 309 CO -0.00 0.65 0.25 1.25 -0.57 0.00 0.00 179.45 181.03 3ek1 h LEU 310 N 1.00 1.01 -0.46 2.94 5.85 -0.08 -2.66 115.31 122.91 3ek1 h LEU 310 Ca 0.27 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3ek1 h LEU 310 Cb -0.11 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.62 3ek1 h LEU 310 CO -0.06 0.92 0.26 0.00 -0.34 0.00 0.00 178.44 179.22 3ek1 h ALA 311 N 1.22 0.58 -0.49 1.25 0.00 -0.46 0.35 119.26 121.71 3ek1 h ALA 311 Ca 0.24 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3ek1 h ALA 311 Cb 0.25 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3ek1 h ALA 311 CO -0.01 -0.07 0.12 0.00 0.00 0.00 0.00 179.25 179.29 3ek1 h ALA 312 N 1.22 0.56 -0.21 0.00 0.00 -1.19 -1.44 119.26 118.20 3ek1 h ALA 312 Ca 0.19 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3ek1 h ALA 312 Cb 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ek1 h ALA 312 CO -0.10 -0.29 -0.06 0.87 0.00 0.00 0.00 179.25 179.68 3ek1 h LYS 313 N 0.26 0.40 -0.93 0.00 1.79 -1.18 -3.13 116.57 113.79 3ek1 h LYS 313 Ca 0.24 -0.16 0.08 0.00 -2.18 0.00 0.00 60.65 58.63 3ek1 h LYS 313 Cb 0.31 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.86 3ek1 h LYS 313 CO -0.30 0.66 0.58 0.28 -1.08 0.00 0.00 179.45 179.59 3ek1 h VAL 314 N 0.12 1.01 -0.69 0.50 2.07 -0.76 -1.75 116.25 116.75 3ek1 h VAL 314 Ca 0.05 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.34 3ek1 h VAL 314 Cb 0.51 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 3ek1 h VAL 314 CO 0.02 0.19 0.46 0.50 0.02 0.00 0.00 177.57 178.76 3ek1 h LYS 315 N 1.01 0.46 0.00 1.57 3.64 -1.21 -0.64 116.57 121.41 3ek1 h LYS 315 Ca 0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3ek1 h LYS 315 Cb 0.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3ek1 h LYS 315 CO -0.20 0.31 0.00 0.39 -2.27 0.00 0.00 179.45 177.67 3ek1 n GLU 316 N -4.48 0.53 -2.44 1.90 1.02 -0.66 -4.87 120.64 111.64 3ek1 n GLU 316 Ca 0.12 0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 3ek1 n GLU 316 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.31 3ek1 n GLU 316 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ek1 s LEU 317 N -2.43 4.26 -0.30 -4.62 1.43 -0.25 -4.99 118.68 111.77 3ek1 s LEU 317 Ca 0.31 1.80 -0.20 0.00 -1.03 0.00 0.00 54.13 55.01 3ek1 s LEU 317 Cb 0.19 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.85 3ek1 s LEU 317 CO 0.41 -0.63 0.61 -0.75 0.23 0.00 0.00 176.35 176.23 3ek1 s LYS 318 N 2.50 3.89 -0.11 1.70 2.20 -1.26 -4.98 119.74 123.68 3ek1 s LYS 318 Ca 0.56 0.26 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 3ek1 s LYS 318 Cb -0.24 -3.73 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 3ek1 s LYS 318 CO 0.20 -0.56 0.20 0.08 -0.36 0.00 0.00 175.35 174.92 3ek1 s VAL 319 N 2.57 5.39 -1.17 4.02 1.01 -1.26 -0.98 120.40 129.98 3ek1 s VAL 319 Ca 0.24 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.58 3ek1 s VAL 319 Cb -0.15 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3ek1 s VAL 319 CO 0.12 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.41 3ek1 n GLY 320 N 2.19 -1.29 3.74 4.51 0.00 -0.54 -4.96 105.19 108.83 3ek1 n GLY 320 Ca -0.18 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 3ek1 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ek1 s ASN 321 N -3.73 6.93 0.66 1.61 3.84 -1.26 -4.23 114.94 118.77 3ek1 s ASN 321 Ca 0.00 2.38 0.43 0.00 0.21 0.00 0.00 52.86 55.87 3ek1 s ASN 321 Cb 0.00 -2.61 2.33 0.00 -0.55 0.00 0.00 41.25 40.42 3ek1 s ASN 321 CO 0.00 -0.49 2.33 1.23 -2.79 0.00 0.00 177.10 177.38 3ek1 h GLY 322 N 5.25 0.00 0.97 1.21 0.00 -1.84 0.64 103.07 109.30 3ek1 h GLY 322 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ek1 h GLY 322 CO 0.76 0.00 -0.28 -1.30 0.00 0.00 0.00 176.54 175.72 3ek1 n THR 323 N -3.12 0.00 -2.95 4.70 -2.24 -1.26 -1.42 114.28 107.98 3ek1 n THR 323 Ca -0.03 -0.04 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 3ek1 n THR 323 Cb 0.10 0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3ek1 n THR 323 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ek1 s GLU 324 N -2.77 4.47 0.22 -0.78 2.12 0.22 -4.97 118.70 117.20 3ek1 s GLU 324 Ca 0.18 1.03 -0.29 0.00 0.36 0.00 0.00 54.97 56.25 3ek1 s GLU 324 Cb 0.19 -3.45 -0.16 0.00 0.26 0.00 0.00 34.13 30.96 3ek1 s GLU 324 CO 0.58 0.03 0.71 -2.30 -0.54 0.00 0.00 175.26 173.74 3ek1 n PRO 325 N 3.83 0.44 -0.64 4.30 -0.02 -1.26 -1.70 135.00 139.94 3ek1 n PRO 325 Ca 0.01 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3ek1 n PRO 325 Cb 0.51 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.69 3ek1 n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ek1 n GLY 326 N 1.75 0.22 3.69 -1.23 0.00 -1.26 -4.97 105.19 103.40 3ek1 n GLY 326 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ek1 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 327 N -1.66 3.90 -0.08 1.61 1.01 -0.69 -4.58 120.40 119.92 3ek1 s VAL 327 Ca 0.00 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.28 3ek1 s VAL 327 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3ek1 s VAL 327 CO 0.00 0.00 0.10 1.33 0.00 0.00 0.00 175.10 176.53 3ek1 n VAL 328 N 4.63 0.00 -4.36 2.92 0.24 -0.16 -4.78 118.33 116.83 3ek1 n VAL 328 Ca 0.12 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.34 61.89 3ek1 n VAL 328 Cb 0.45 0.72 -0.17 0.00 -1.47 0.00 0.00 33.84 33.37 3ek1 n VAL 328 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ek1 s ILE 329 N -1.74 1.40 0.00 1.34 -1.09 -0.77 -4.80 121.20 115.54 3ek1 s ILE 329 Ca 0.00 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 3ek1 s ILE 329 Cb 0.02 -1.30 0.00 0.00 -1.58 0.00 0.00 42.46 39.61 3ek1 s ILE 329 CO 0.13 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3ek1 n GLY 330 N 4.31 1.59 3.78 6.18 0.00 -1.26 -1.47 105.19 118.32 3ek1 n GLY 330 Ca -0.18 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 3ek1 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek1 s PRO 331 N -0.66 1.57 0.49 1.61 0.04 -1.26 -4.76 135.00 132.03 3ek1 s PRO 331 Ca 0.00 0.55 -0.09 0.00 0.04 0.00 0.00 61.00 61.50 3ek1 s PRO 331 Cb 0.00 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3ek1 s PRO 331 CO 0.00 -1.96 0.85 -1.64 0.04 0.00 0.00 177.00 174.29 3ek1 s MET 332 N -5.15 3.66 0.26 4.56 -1.94 -0.34 -4.79 119.30 115.55 3ek1 s MET 332 Ca 0.62 0.46 0.02 0.00 -1.71 0.00 0.00 55.69 55.08 3ek1 s MET 332 Cb -0.15 -2.30 0.34 0.00 2.01 0.00 0.00 34.83 34.73 3ek1 s MET 332 CO 0.55 -0.24 1.67 0.97 -0.01 0.00 0.00 175.02 177.95 3ek1 h ILE 333 N 0.42 1.29 -3.36 2.53 6.09 -1.88 -3.46 117.51 119.14 3ek1 h ILE 333 Ca -0.46 -1.44 -0.01 0.00 -1.37 0.00 0.00 64.86 61.57 3ek1 h ILE 333 Cb 1.19 1.50 -0.09 0.00 0.47 0.00 0.00 36.82 39.90 3ek1 h ILE 333 CO 0.62 0.45 0.02 -1.83 -3.07 0.00 0.00 178.15 174.34 3ek1 s GLU 334 N -4.32 1.52 0.22 2.19 -1.05 -1.26 -4.90 118.70 111.11 3ek1 s GLU 334 Ca -0.07 -1.03 -0.08 0.00 -0.15 0.00 0.00 54.97 53.65 3ek1 s GLU 334 Cb 0.13 0.52 0.22 0.00 -0.44 0.00 0.00 34.13 34.56 3ek1 s GLU 334 CO 0.80 -0.65 1.88 1.05 0.95 0.00 0.00 175.26 179.29 3ek1 h GLU 335 N 2.18 1.04 -0.14 -4.83 4.11 -1.95 -2.27 114.58 112.71 3ek1 h GLU 335 Ca -0.26 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.15 3ek1 h GLU 335 Cb 1.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3ek1 h GLU 335 CO 0.34 0.69 0.11 1.57 0.07 0.00 0.00 179.01 181.78 3ek1 h LYS 336 N 1.07 0.00 -0.21 1.06 2.10 -1.99 -0.63 116.57 117.96 3ek1 h LYS 336 Ca 0.32 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.92 3ek1 h LYS 336 Cb -0.05 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 3ek1 h LYS 336 CO -0.09 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 177.31 3ek1 h ALA 337 N 1.92 0.30 -0.83 0.07 0.00 -1.82 -2.30 119.26 116.60 3ek1 h ALA 337 Ca 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ek1 h ALA 337 Cb 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 3ek1 h ALA 337 CO -0.00 0.08 0.39 0.82 0.00 0.00 0.00 179.25 180.54 3ek1 h ILE 338 N 0.14 1.26 -0.75 0.00 2.04 -1.15 -2.17 117.51 116.88 3ek1 h ILE 338 Ca 0.05 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.25 3ek1 h ILE 338 Cb 0.50 0.20 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 3ek1 h ILE 338 CO 0.02 0.31 0.44 0.74 0.00 0.00 0.00 178.15 179.66 3ek1 h THR 339 N 1.18 1.00 -0.36 -0.27 2.02 -1.11 -1.48 112.91 113.88 3ek1 h THR 339 Ca 0.28 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 67.04 3ek1 h THR 339 Cb 0.12 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3ek1 h THR 339 CO -0.04 0.15 -0.39 0.50 0.37 0.00 0.00 175.52 176.11 3ek1 h LYS 340 N 0.80 0.88 -0.74 6.66 3.64 -0.99 -0.69 116.57 126.12 3ek1 h LYS 340 Ca 0.33 -0.46 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3ek1 h LYS 340 Cb 0.18 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3ek1 h LYS 340 CO -0.18 1.10 0.27 0.28 -2.27 0.00 0.00 179.45 178.66 3ek1 h VAL 341 N 0.71 1.25 -0.53 2.00 2.07 -1.19 -1.33 116.25 119.25 3ek1 h VAL 341 Ca 0.06 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 3ek1 h VAL 341 Cb 0.97 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3ek1 h VAL 341 CO 0.09 0.33 0.01 0.11 0.02 0.00 0.00 177.57 178.13 3ek1 h LYS 342 N 1.09 0.89 -0.34 1.57 1.57 -1.00 -1.97 116.57 118.37 3ek1 h LYS 342 Ca 0.25 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3ek1 h LYS 342 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3ek1 h LYS 342 CO -0.02 0.88 -0.16 0.00 -0.57 0.00 0.00 179.45 179.58 3ek1 h ALA 343 N 1.18 1.08 -0.29 3.86 0.00 -0.79 0.41 119.26 124.70 3ek1 h ALA 343 Ca 0.16 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3ek1 h ALA 343 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 343 CO 0.02 0.56 -0.55 0.45 0.00 0.00 0.00 179.25 179.74 3ek1 h HIS 344 N 0.55 1.11 -0.21 0.00 3.86 -1.05 -1.89 115.15 117.53 3ek1 h HIS 344 Ca 0.09 -0.40 -0.03 0.00 -1.16 0.00 0.00 60.37 58.88 3ek1 h HIS 344 Cb 0.60 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 3ek1 h HIS 344 CO 0.02 1.23 0.02 0.82 0.86 0.00 0.00 177.93 180.89 3ek1 h ILE 345 N 0.68 1.24 -0.20 2.45 2.04 -0.90 -1.03 117.51 121.79 3ek1 h ILE 345 Ca 0.01 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3ek1 h ILE 345 Cb 1.16 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 3ek1 h ILE 345 CO 0.12 0.25 0.12 -0.33 0.00 0.00 0.00 178.15 178.31 3ek1 h GLU 346 N 0.14 0.28 -0.74 2.37 4.39 -0.97 -0.89 114.58 119.16 3ek1 h GLU 346 Ca 0.06 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.82 3ek1 h GLU 346 Cb 0.35 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.87 3ek1 h GLU 346 CO 0.01 0.25 0.39 0.22 -1.16 0.00 0.00 179.01 178.72 3ek1 h ASP 347 N 0.23 0.52 0.05 1.42 3.58 -1.29 -0.53 116.42 120.40 3ek1 h ASP 347 Ca 0.07 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 3ek1 h ASP 347 Cb 0.05 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3ek1 h ASP 347 CO -0.01 0.30 -0.02 0.00 -2.88 0.00 0.00 179.24 176.63 3ek1 h ALA 348 N 1.43 -0.06 -0.91 -0.78 0.00 -0.74 -2.70 119.26 115.50 3ek1 h ALA 348 Ca 0.36 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 348 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 348 CO -0.26 -0.29 0.57 0.28 0.00 0.00 0.00 179.25 179.55 3ek1 h VAL 349 N -0.55 1.25 0.00 0.00 2.07 -1.11 -0.71 116.25 117.19 3ek1 h VAL 349 Ca -0.01 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3ek1 h VAL 349 Cb 0.50 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3ek1 h VAL 349 CO 0.01 0.25 -0.00 0.77 0.02 0.00 0.00 177.57 178.62 3ek1 h SER 350 N 1.26 0.00 -0.17 0.57 4.64 -1.08 -2.23 113.55 116.53 3ek1 h SER 350 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3ek1 h SER 350 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3ek1 h SER 350 CO -0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.19 3ek1 n LYS 351 N -3.09 2.17 0.00 4.77 5.02 -0.39 -4.93 118.16 121.70 3ek1 n LYS 351 Ca 0.00 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 3ek1 n LYS 351 Cb 0.28 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3ek1 n LYS 351 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek1 n GLY 352 N 1.33 1.40 3.76 0.72 0.00 -0.84 -5.05 105.19 106.51 3ek1 n GLY 352 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3ek1 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s ALA 353 N -1.50 2.38 -0.18 4.61 0.00 -0.50 -4.92 121.76 121.66 3ek1 s ALA 353 Ca 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 3ek1 s ALA 353 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3ek1 s ALA 353 CO 0.00 -1.41 -0.08 0.15 0.00 0.00 0.00 175.76 174.42 3ek1 s LYS 354 N -3.97 3.38 -0.61 0.00 1.02 -0.39 -4.32 119.74 114.85 3ek1 s LYS 354 Ca 0.70 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.76 3ek1 s LYS 354 Cb -0.23 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 3ek1 s LYS 354 CO 0.41 -0.01 1.44 -1.17 -0.92 0.00 0.00 175.35 175.10 3ek1 s LEU 355 N 0.96 3.33 0.13 3.17 2.96 -1.26 -0.65 118.68 127.31 3ek1 s LEU 355 Ca -0.01 0.11 0.22 0.00 -0.22 0.00 0.00 54.13 54.22 3ek1 s LEU 355 Cb -0.15 -2.86 -0.11 0.00 0.50 0.00 0.00 46.19 43.58 3ek1 s LEU 355 CO -0.00 -1.83 0.86 2.30 -1.32 0.00 0.00 176.35 176.36 3ek1 n ILE 356 N 6.78 0.49 -3.82 6.68 -5.35 -0.17 -4.90 119.36 119.06 3ek1 n ILE 356 Ca 0.11 -0.55 -0.12 0.00 -0.27 0.00 0.00 62.75 61.92 3ek1 n ILE 356 Cb 0.50 -0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.02 3ek1 n ILE 356 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3ek1 s THR 357 N -3.37 0.05 0.00 7.28 2.01 -1.22 -4.97 115.64 115.41 3ek1 s THR 357 Ca -0.03 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.59 3ek1 s THR 357 Cb 0.11 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.20 3ek1 s THR 357 CO 0.83 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 3ek1 n GLY 358 N 2.01 3.26 3.23 4.40 0.00 -1.25 -2.21 105.19 114.63 3ek1 n GLY 358 Ca -0.19 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.50 3ek1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 359 N 0.00 -0.29 3.17 -0.02 0.00 -0.50 -4.85 105.19 102.70 3ek1 n GLY 359 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3ek1 n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek1 s LYS 360 N -6.09 0.84 0.42 1.61 -2.85 -1.25 -4.93 119.74 107.48 3ek1 s LYS 360 Ca 0.49 -1.21 -0.24 0.00 -1.00 0.00 0.00 55.97 54.00 3ek1 s LYS 360 Cb -0.21 -0.41 -0.08 0.00 -2.06 0.00 0.00 37.83 35.07 3ek1 s LYS 360 CO 0.60 0.04 1.14 -1.21 0.10 0.00 0.00 175.35 176.03 3ek1 s GLU 361 N -3.14 4.00 0.00 1.78 2.02 -1.26 -0.61 118.70 121.48 3ek1 s GLU 361 Ca 0.07 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.82 3ek1 s GLU 361 Cb -0.00 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3ek1 s GLU 361 CO -0.02 -0.35 0.56 1.28 0.02 0.00 0.00 175.26 176.76 3ek1 n LEU 362 N -0.10 1.11 0.00 1.80 4.77 -0.46 -4.85 117.00 119.27 3ek1 n LEU 362 Ca 0.05 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 3ek1 n LEU 362 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3ek1 n LEU 362 CO 0.49 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3ek1 n GLY 363 N -0.08 3.00 7.00 -0.72 0.00 -1.24 -4.90 105.19 108.25 3ek1 n GLY 363 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3ek1 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 364 N 1.10 3.50 1.10 -0.02 0.00 -1.26 -2.09 105.19 107.51 3ek1 n GLY 364 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3ek1 n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ek1 n LEU 365 N 0.00 3.32 -4.74 0.99 4.77 -1.26 -4.94 117.00 115.13 3ek1 n LEU 365 Ca 0.00 -1.36 -0.41 0.00 -0.03 0.00 0.00 56.01 54.22 3ek1 n LEU 365 Cb 0.00 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3ek1 n LEU 365 CO 0.00 0.68 0.76 -0.36 -1.33 0.00 0.00 177.39 177.14 3ek1 s PHE 366 N -1.63 3.67 -0.00 -1.77 0.08 -0.89 -1.20 117.98 116.23 3ek1 s PHE 366 Ca 0.36 1.68 -0.00 0.00 0.12 0.00 0.00 56.93 59.09 3ek1 s PHE 366 Cb 0.22 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 3ek1 s PHE 366 CO 0.31 -0.37 0.01 0.12 -0.10 0.00 0.00 175.22 175.19 3ek1 s PHE 367 N -0.46 0.00 -0.06 0.36 5.36 -1.26 -1.36 117.98 120.56 3ek1 s PHE 367 Ca 0.47 0.02 -0.26 0.00 -0.96 0.00 0.00 56.93 56.20 3ek1 s PHE 367 Cb -0.29 -0.04 -0.03 0.00 -0.34 0.00 0.00 43.02 42.33 3ek1 s PHE 367 CO 0.35 -0.01 0.83 -2.00 -1.46 0.00 0.00 175.22 172.92 3ek1 s GLU 368 N 0.17 4.45 0.25 10.12 2.12 0.22 -4.94 118.70 131.09 3ek1 s GLU 368 Ca -0.01 1.11 -0.31 0.00 0.36 0.00 0.00 54.97 56.12 3ek1 s GLU 368 Cb -0.02 -3.48 -0.14 0.00 0.26 0.00 0.00 34.13 30.76 3ek1 s GLU 368 CO -0.00 -0.06 1.31 -2.30 -0.54 0.00 0.00 175.26 173.66 3ek1 n PRO 369 N 4.12 1.82 -4.29 4.30 -0.02 -1.26 -1.42 135.00 138.26 3ek1 n PRO 369 Ca 0.03 0.65 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 3ek1 n PRO 369 Cb 0.51 -2.23 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 3ek1 n PRO 369 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ek1 s GLY 370 N 0.06 1.37 -0.02 -1.23 0.00 -0.01 -3.45 107.32 104.04 3ek1 s GLY 370 Ca 0.66 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.72 3ek1 s GLY 370 CO 0.53 -1.61 -0.02 -0.42 0.00 0.00 0.00 173.10 171.57 3ek1 s ILE 371 N -3.47 0.30 -0.08 0.90 1.01 -0.94 -1.48 121.20 117.45 3ek1 s ILE 371 Ca 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3ek1 s ILE 371 Cb 0.05 -0.33 -0.03 0.00 0.01 0.00 0.00 42.46 42.16 3ek1 s ILE 371 CO 0.06 0.14 -0.06 -0.76 0.00 0.00 0.00 174.94 174.32 3ek1 s LEU 372 N 0.63 3.18 0.35 2.97 1.43 -0.34 -1.00 118.68 125.91 3ek1 s LEU 372 Ca -0.07 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 3ek1 s LEU 372 Cb -0.10 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 3ek1 s LEU 372 CO -0.01 0.34 0.20 0.42 0.23 0.00 0.00 176.35 177.54 3ek1 s THR 373 N -0.69 3.04 -1.35 5.49 -4.23 0.17 -0.96 115.64 117.11 3ek1 s THR 373 Ca 0.11 -1.59 -0.08 0.00 -1.18 0.00 0.00 61.69 58.95 3ek1 s THR 373 Cb -0.11 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.71 3ek1 s THR 373 CO 0.02 -0.15 1.14 0.61 -0.54 0.00 0.00 174.62 175.70 3ek1 n GLY 374 N -1.25 -0.51 3.77 3.99 0.00 -1.16 -1.26 105.19 108.77 3ek1 n GLY 374 Ca -0.02 0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3ek1 n GLY 374 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 375 N -3.33 4.23 0.19 1.61 1.01 -0.49 -4.15 120.40 119.47 3ek1 s VAL 375 Ca 0.50 1.85 0.03 0.00 0.00 0.00 0.00 61.98 64.36 3ek1 s VAL 375 Cb -0.22 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 3ek1 s VAL 375 CO 0.74 0.42 -0.02 0.42 0.00 0.00 0.00 175.10 176.66 3ek1 s THR 376 N -1.28 0.88 -1.42 3.92 -4.23 -1.26 -4.14 115.64 108.12 3ek1 s THR 376 Ca 0.41 -2.01 0.06 0.00 -1.18 0.00 0.00 61.69 58.97 3ek1 s THR 376 Cb -0.23 -2.16 0.11 0.00 1.34 0.00 0.00 72.50 71.56 3ek1 s THR 376 CO 0.28 -0.46 1.06 -1.54 -0.54 0.00 0.00 174.62 173.41 3ek1 n SER 377 N -0.30 0.00 -1.11 3.99 3.41 -1.26 -1.66 113.62 116.69 3ek1 n SER 377 Ca -0.07 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 3ek1 n SER 377 Cb 0.63 -0.29 0.25 0.00 -0.26 0.00 0.00 64.21 64.53 3ek1 n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ek1 n ASP 378 N -1.29 3.30 -4.85 4.04 5.75 -1.26 -4.87 116.55 117.36 3ek1 n ASP 378 Ca 0.03 -1.97 -0.35 0.00 -0.01 0.00 0.00 54.79 52.50 3ek1 n ASP 378 Cb 0.05 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 39.82 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ek1 s MET 379 N -1.47 3.89 0.31 0.11 -1.94 -0.66 -4.99 119.30 114.54 3ek1 s MET 379 Ca 0.39 0.36 0.07 0.00 -1.71 0.00 0.00 55.69 54.80 3ek1 s MET 379 Cb 0.22 -2.93 0.82 0.00 2.01 0.00 0.00 34.83 34.96 3ek1 s MET 379 CO 0.31 0.49 1.71 1.25 -0.01 0.00 0.00 175.02 178.77 3ek1 h LEU 380 N 3.51 0.49 -2.77 -0.03 5.85 -1.89 -0.93 115.31 119.53 3ek1 h LEU 380 Ca -0.49 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 3ek1 h LEU 380 Cb 1.19 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ek1 h LEU 380 CO 0.66 0.03 -0.00 1.62 -0.34 0.00 0.00 178.44 180.41 3ek1 h VAL 381 N 0.47 0.14 0.00 1.05 3.04 -1.87 -0.68 116.25 118.40 3ek1 h VAL 381 Ca 0.61 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 66.26 3ek1 h VAL 381 Cb 1.18 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.49 3ek1 h VAL 381 CO -0.51 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.05 3ek1 h ALA 382 N 2.00 1.00 0.00 3.17 0.00 -1.45 -3.30 119.26 120.67 3ek1 h ALA 382 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 382 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ek1 h ALA 382 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 3ek1 n LYS 383 N -2.35 0.40 -3.82 0.00 4.76 -0.35 -5.02 118.16 111.79 3ek1 n LYS 383 Ca 0.05 -0.38 -0.12 0.00 -2.87 0.00 0.00 58.31 54.99 3ek1 n LYS 383 Cb 0.41 -0.87 -0.13 0.00 -1.84 0.00 0.00 35.03 32.61 3ek1 n LYS 383 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3ek1 s GLU 384 N -0.16 0.17 0.06 1.97 2.12 -0.68 -5.06 118.70 117.11 3ek1 s GLU 384 Ca 0.00 0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.24 3ek1 s GLU 384 Cb 0.00 0.08 -0.06 0.00 0.26 0.00 0.00 34.13 34.41 3ek1 s GLU 384 CO 0.00 -0.02 1.22 -1.21 -0.54 0.00 0.00 175.26 174.71 3ek1 s GLU 385 N 0.11 4.41 0.11 4.30 2.02 -1.26 -4.49 118.70 123.90 3ek1 s GLU 385 Ca -0.00 1.80 -0.13 0.00 0.02 0.00 0.00 54.97 56.66 3ek1 s GLU 385 Cb -0.01 -3.36 -0.11 0.00 0.10 0.00 0.00 34.13 30.75 3ek1 s GLU 385 CO 0.00 -0.30 1.38 1.15 0.02 0.00 0.00 175.26 177.51 3ek1 h THR 386 N 4.54 1.29 -5.97 3.63 2.02 -1.91 -3.48 112.91 113.03 3ek1 h THR 386 Ca -0.41 -1.72 -0.41 0.00 0.77 0.00 0.00 66.41 64.64 3ek1 h THR 386 Cb 1.21 1.71 0.09 0.00 -1.74 0.00 0.00 68.15 69.42 3ek1 h THR 386 CO 0.82 0.55 -0.74 0.49 0.37 0.00 0.00 175.52 177.02 3ek1 n PHE 387 N -4.07 -2.45 -3.82 3.16 3.72 -1.26 -4.47 117.46 108.26 3ek1 n PHE 387 Ca -0.05 0.95 -0.06 0.00 -0.05 0.00 0.00 57.45 58.24 3ek1 n PHE 387 Cb 0.61 -4.67 0.00 0.00 -0.94 0.00 0.00 39.48 34.48 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ek1 s GLY 388 N -3.68 0.05 -1.44 1.37 0.00 -1.13 -4.50 107.32 97.99 3ek1 s GLY 388 Ca 0.41 -0.32 -0.12 0.00 0.00 0.00 0.00 44.72 44.68 3ek1 s GLY 388 CO 0.77 0.43 2.25 -1.55 0.00 0.00 0.00 173.10 175.00 3ek1 n PRO 389 N -0.54 3.16 -3.94 2.90 -0.04 -1.13 -4.57 135.00 130.86 3ek1 n PRO 389 Ca -0.06 -2.77 -0.22 0.00 -0.04 0.00 0.00 63.50 60.42 3ek1 n PRO 389 Cb 0.60 -3.14 -0.17 0.00 -0.04 0.00 0.00 33.50 30.75 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N 1.34 0.94 -0.43 1.53 2.96 -1.26 -0.83 118.68 122.93 3ek1 s LEU 390 Ca 0.48 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.21 3ek1 s LEU 390 Cb 0.14 -0.47 0.10 0.00 0.50 0.00 0.00 46.19 46.46 3ek1 s LEU 390 CO -0.07 -0.13 0.26 0.00 -1.32 0.00 0.00 176.35 175.09 3ek1 s ALA 391 N 1.52 3.27 -0.25 5.97 0.00 -0.55 -4.98 121.76 126.73 3ek1 s ALA 391 Ca -0.02 -2.37 -0.14 0.00 0.00 0.00 0.00 51.96 49.43 3ek1 s ALA 391 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3ek1 s ALA 391 CO -0.03 -1.76 0.34 -1.25 0.00 0.00 0.00 175.76 173.05 3ek1 s PRO 392 N 1.32 4.05 -0.34 0.00 0.05 -1.26 -1.20 135.00 137.62 3ek1 s PRO 392 Ca 0.05 0.01 -0.12 0.00 0.05 0.00 0.00 61.00 60.98 3ek1 s PRO 392 Cb -0.24 -3.62 -0.01 0.00 0.05 0.00 0.00 34.50 30.68 3ek1 s PRO 392 CO -0.01 -0.18 0.23 -0.51 0.05 0.00 0.00 177.00 176.58 3ek1 s LEU 393 N 1.75 4.48 -0.20 -3.56 1.43 -0.13 -1.61 118.68 120.85 3ek1 s LEU 393 Ca 0.14 -0.47 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 3ek1 s LEU 393 Cb -0.15 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 3ek1 s LEU 393 CO 0.09 -0.24 0.07 -0.36 0.23 0.00 0.00 176.35 176.14 3ek1 s PHE 394 N 1.70 3.24 0.29 0.29 0.08 0.71 -1.40 117.98 122.89 3ek1 s PHE 394 Ca 0.06 0.04 -0.21 0.00 0.12 0.00 0.00 56.93 56.94 3ek1 s PHE 394 Cb -0.17 -2.12 -0.09 0.00 -0.57 0.00 0.00 43.02 40.07 3ek1 s PHE 394 CO 0.10 0.09 0.82 0.00 -0.10 0.00 0.00 175.22 176.13 3ek1 s ALA 395 N 0.57 3.30 0.13 5.36 0.00 -1.26 0.12 121.76 129.97 3ek1 s ALA 395 Ca 0.04 0.28 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 3ek1 s ALA 395 Cb -0.13 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3ek1 s ALA 395 CO 0.01 0.26 0.12 -0.59 0.00 0.00 0.00 175.76 175.56 3ek1 s PHE 396 N -1.69 0.64 -0.20 0.00 -0.12 -0.92 -4.83 117.98 110.87 3ek1 s PHE 396 Ca 0.49 -1.04 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 3ek1 s PHE 396 Cb -0.15 -0.32 -0.08 0.00 -0.63 0.00 0.00 43.02 41.83 3ek1 s PHE 396 CO 0.20 -0.56 -0.28 -0.25 -0.05 0.00 0.00 175.22 174.28 3ek1 n ASP 397 N -0.10 1.58 -4.53 1.98 8.00 -1.26 -0.69 116.55 121.53 3ek1 n ASP 397 Ca -0.08 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.44 3ek1 n ASP 397 Cb 0.63 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.99 3ek1 n ASP 397 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ek1 s THR 398 N -2.47 2.92 0.22 -3.53 -4.23 -1.26 -4.79 115.64 102.50 3ek1 s THR 398 Ca -0.29 -1.88 -0.08 0.00 -1.18 0.00 0.00 61.69 58.26 3ek1 s THR 398 Cb 0.10 -2.46 0.16 0.00 1.34 0.00 0.00 72.50 71.64 3ek1 s THR 398 CO 0.37 -0.18 1.74 -0.08 -0.54 0.00 0.00 174.62 175.93 3ek1 h GLU 399 N 2.77 0.42 -0.22 3.99 4.81 -1.99 -1.24 114.58 123.11 3ek1 h GLU 399 Ca -0.45 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.78 3ek1 h GLU 399 Cb 1.22 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3ek1 h GLU 399 CO 0.54 0.28 0.05 0.93 -0.73 0.00 0.00 179.01 180.08 3ek1 h GLU 400 N 0.43 0.14 -0.26 1.92 3.07 -2.00 -1.96 114.58 115.92 3ek1 h GLU 400 Ca 0.33 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3ek1 h GLU 400 Cb 0.43 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 3ek1 h GLU 400 CO -0.32 0.09 0.03 1.49 -1.40 0.00 0.00 179.01 178.89 3ek1 h GLU 401 N 0.14 0.11 -0.15 2.33 4.81 -1.89 -2.66 114.58 117.27 3ek1 h GLU 401 Ca 0.10 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3ek1 h GLU 401 Cb 0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3ek1 h GLU 401 CO -0.12 0.07 -0.35 -0.24 -0.73 0.00 0.00 179.01 177.64 3ek1 h VAL 402 N 0.12 1.29 -0.35 0.32 3.04 -0.84 -1.15 116.25 118.68 3ek1 h VAL 402 Ca 0.12 -1.41 -0.05 0.00 -1.01 0.00 0.00 66.70 64.35 3ek1 h VAL 402 Cb 0.14 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3ek1 h VAL 402 CO -0.19 0.43 0.03 0.40 -1.01 0.00 0.00 177.57 177.23 3ek1 h ILE 403 N 0.28 1.25 -0.44 3.17 2.04 -1.29 0.59 117.51 123.10 3ek1 h ILE 403 Ca 0.03 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 3ek1 h ILE 403 Cb 0.76 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3ek1 h ILE 403 CO 0.06 0.30 0.23 0.00 0.00 0.00 0.00 178.15 178.74 3ek1 h ALA 404 N 0.88 0.57 -0.17 1.87 0.00 -1.33 -1.16 119.26 119.93 3ek1 h ALA 404 Ca 0.10 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3ek1 h ALA 404 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ek1 h ALA 404 CO 0.01 0.12 -0.55 1.96 0.00 0.00 0.00 179.25 180.79 3ek1 h GLN 405 N 0.58 0.51 -0.72 0.00 4.20 -0.86 -1.68 115.11 117.13 3ek1 h GLN 405 Ca 0.15 -0.32 0.04 0.00 0.06 0.00 0.00 58.65 58.59 3ek1 h GLN 405 Cb 0.09 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3ek1 h GLN 405 CO -0.02 0.92 0.44 0.00 -0.67 0.00 0.00 178.83 179.50 3ek1 h ALA 406 N 1.01 0.95 0.00 3.87 0.00 0.55 -2.81 119.26 122.83 3ek1 h ALA 406 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 406 Cb 1.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3ek1 h ALA 406 CO 0.10 0.19 -0.20 0.09 0.00 0.00 0.00 179.25 179.44 3ek1 n ASN 407 N -4.68 0.67 -3.83 0.00 3.02 -0.47 -4.59 115.26 105.39 3ek1 n ASN 407 Ca 0.08 0.40 -0.41 0.00 -0.03 0.00 0.00 54.58 54.62 3ek1 n ASN 407 Cb 0.12 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 3ek1 n ASN 407 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3ek1 n ASP 408 N -2.10 3.15 -3.52 6.41 2.03 -0.64 -4.75 116.55 117.13 3ek1 n ASP 408 Ca 0.05 -2.75 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 3ek1 n ASP 408 Cb 0.42 -1.39 -0.05 0.00 -0.72 0.00 0.00 41.12 39.38 3ek1 n ASP 408 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ek1 s THR 409 N 5.06 0.00 -1.26 5.18 -1.32 -1.26 -5.01 115.64 117.03 3ek1 s THR 409 Ca 0.55 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 61.31 3ek1 s THR 409 Cb 0.12 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.50 3ek1 s THR 409 CO 0.06 0.00 1.93 2.30 -2.21 0.00 0.00 174.62 176.70 3ek1 n ILE 410 N 0.55 0.10 -3.24 5.08 -5.35 -1.26 -4.89 119.36 110.34 3ek1 n ILE 410 Ca -0.15 0.02 -0.20 0.00 -0.27 0.00 0.00 62.75 62.15 3ek1 n ILE 410 Cb 0.59 -0.56 0.02 0.00 -1.74 0.00 0.00 39.64 37.96 3ek1 n ILE 410 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ek1 s PHE 411 N -2.74 2.05 -0.31 4.28 0.08 -1.26 -1.07 117.98 119.01 3ek1 s PHE 411 Ca 0.21 -0.61 0.02 0.00 0.12 0.00 0.00 56.93 56.67 3ek1 s PHE 411 Cb 0.19 -2.21 0.11 0.00 -0.57 0.00 0.00 43.02 40.53 3ek1 s PHE 411 CO 0.46 -0.68 1.13 0.41 -0.10 0.00 0.00 175.22 176.44 3ek1 n GLY 412 N -1.95 -1.03 0.00 4.36 0.00 -1.25 -4.78 105.19 100.54 3ek1 n GLY 412 Ca 0.09 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3ek1 n GLY 412 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ek1 n LEU 413 N -0.28 0.00 -4.81 0.99 7.94 -1.26 -1.28 117.00 118.30 3ek1 n LEU 413 Ca -0.24 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.38 3ek1 n LEU 413 Cb 0.66 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.56 3ek1 n LEU 413 CO -0.12 0.00 -0.22 0.00 -1.11 0.00 0.00 177.39 175.94 3ek1 s ALA 414 N -4.00 3.65 0.04 1.96 0.00 -1.26 -1.42 121.76 120.73 3ek1 s ALA 414 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 51.96 50.83 3ek1 s ALA 414 Cb 0.00 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 3ek1 s ALA 414 CO 0.00 0.66 0.12 0.00 0.00 0.00 0.00 175.76 176.54 3ek1 s ALA 415 N -1.55 -0.13 0.02 0.00 0.00 -0.32 -4.05 121.76 115.72 3ek1 s ALA 415 Ca 0.31 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3ek1 s ALA 415 Cb -0.11 0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3ek1 s ALA 415 CO 0.24 -0.34 -0.05 0.71 0.00 0.00 0.00 175.76 176.32 3ek1 s TYR 416 N -2.69 0.42 0.03 0.00 2.02 0.18 -1.04 117.35 116.26 3ek1 s TYR 416 Ca -0.04 -0.32 -0.15 0.00 -0.37 0.00 0.00 57.07 56.18 3ek1 s TYR 416 Cb -0.01 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.32 3ek1 s TYR 416 CO -0.05 -0.08 0.33 -0.59 -1.57 0.00 0.00 175.55 173.60 3ek1 s PHE 417 N -0.86 -0.16 -0.14 2.71 -0.12 0.71 -0.61 117.98 119.52 3ek1 s PHE 417 Ca -0.07 0.08 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 3ek1 s PHE 417 Cb -0.06 0.13 0.02 0.00 -0.63 0.00 0.00 43.02 42.47 3ek1 s PHE 417 CO -0.00 -0.50 -0.14 0.71 -0.05 0.00 0.00 175.22 175.23 3ek1 s TYR 418 N -2.35 2.12 -0.11 3.49 2.02 -0.13 -0.39 117.35 122.00 3ek1 s TYR 418 Ca -0.06 -1.16 -0.27 0.00 -0.37 0.00 0.00 57.07 55.21 3ek1 s TYR 418 Cb -0.01 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 40.05 3ek1 s TYR 418 CO -0.02 -0.64 0.64 -0.08 -1.57 0.00 0.00 175.55 173.88 3ek1 s THR 419 N 1.42 0.01 -2.62 -0.71 -1.32 -1.26 -2.27 115.64 108.89 3ek1 s THR 419 Ca 0.03 -0.05 0.25 0.00 -1.21 0.00 0.00 61.69 60.72 3ek1 s THR 419 Cb -0.13 -0.93 0.27 0.00 -1.51 0.00 0.00 72.50 70.20 3ek1 s THR 419 CO -0.09 -0.03 1.40 -0.62 -2.21 0.00 0.00 174.62 173.07 3ek1 n GLU 420 N 1.55 1.86 -3.11 7.08 -0.58 -1.15 -4.87 120.64 121.41 3ek1 n GLU 420 Ca -0.18 -1.40 -0.40 0.00 -0.42 0.00 0.00 57.16 54.77 3ek1 n GLU 420 Cb 0.56 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.91 3ek1 n GLU 420 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3ek1 s ASN 421 N -2.11 6.79 0.11 1.62 3.84 -1.26 -4.98 114.94 118.95 3ek1 s ASN 421 Ca 0.29 0.96 -0.24 0.00 0.21 0.00 0.00 52.86 54.08 3ek1 s ASN 421 Cb 0.20 -2.36 -0.10 0.00 -0.55 0.00 0.00 41.25 38.44 3ek1 s ASN 421 CO 0.37 -0.20 1.70 0.15 -2.79 0.00 0.00 177.10 176.33 3ek1 h PHE 422 N 7.15 -0.25 -0.32 0.43 3.57 -1.99 -1.37 116.94 124.15 3ek1 h PHE 422 Ca -0.35 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 3ek1 h PHE 422 Cb 1.16 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 3ek1 h PHE 422 CO 0.68 -0.15 0.16 0.77 -2.23 0.00 0.00 178.31 177.54 3ek1 h SER 423 N -0.19 0.41 -0.78 0.41 0.02 -2.00 -2.31 113.55 109.11 3ek1 h SER 423 Ca 0.03 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3ek1 h SER 423 Cb 0.22 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 3ek1 h SER 423 CO -0.08 0.40 0.48 -0.09 -1.14 0.00 0.00 176.83 176.40 3ek1 h ARG 424 N 0.38 1.07 -0.58 3.45 2.43 -1.96 -1.37 114.38 117.81 3ek1 h ARG 424 Ca 0.11 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3ek1 h ARG 424 Cb 0.09 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.35 3ek1 h ARG 424 CO -0.02 0.74 0.23 0.00 -1.51 0.00 0.00 179.97 179.42 3ek1 h ALA 425 N 1.44 0.74 0.38 2.80 0.00 -0.82 0.34 119.26 124.15 3ek1 h ALA 425 Ca 0.28 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3ek1 h ALA 425 Cb -0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3ek1 h ALA 425 CO -0.05 -0.16 -0.18 0.82 0.00 0.00 0.00 179.25 179.67 3ek1 h ILE 426 N 0.43 0.63 -0.16 0.00 1.08 -0.89 -1.75 117.51 116.85 3ek1 h ILE 426 Ca 0.28 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.65 3ek1 h ILE 426 Cb 0.31 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3ek1 h ILE 426 CO -0.26 0.03 -0.04 0.03 -0.69 0.00 0.00 178.15 177.22 3ek1 h ARG 427 N -0.59 0.00 -0.05 2.37 3.08 -1.04 -1.64 114.38 116.52 3ek1 h ARG 427 Ca -0.05 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3ek1 h ARG 427 Cb 0.44 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 3ek1 h ARG 427 CO 0.09 0.00 -0.59 0.28 -1.07 0.00 0.00 179.97 178.68 3ek1 h VAL 428 N 0.00 1.39 -0.98 2.04 2.07 -0.99 -0.05 116.25 119.74 3ek1 h VAL 428 Ca 0.08 -1.98 0.13 0.00 0.82 0.00 0.00 66.70 65.75 3ek1 h VAL 428 Cb 0.12 2.40 -0.09 0.00 -1.52 0.00 0.00 31.29 32.20 3ek1 h VAL 428 CO -0.17 0.59 0.60 0.77 0.02 0.00 0.00 177.57 179.38 3ek1 h SER 429 N 0.03 0.86 0.67 0.57 4.64 -1.32 -1.77 113.55 117.23 3ek1 h SER 429 Ca -0.06 0.06 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3ek1 h SER 429 Cb 1.26 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3ek1 h SER 429 CO 0.12 0.44 -1.14 -0.33 -0.87 0.00 0.00 176.83 175.05 3ek1 h GLU 430 N 0.92 0.22 0.00 4.77 5.08 -1.09 -3.31 114.58 121.18 3ek1 h GLU 430 Ca 0.50 -0.35 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 3ek1 h GLU 430 Cb 0.54 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3ek1 h GLU 430 CO -0.29 1.14 -0.58 0.00 -1.00 0.00 0.00 179.01 178.29 3ek1 h ALA 431 N 0.71 0.76 -2.42 3.43 0.00 -0.54 -3.44 119.26 117.75 3ek1 h ALA 431 Ca -0.10 -0.52 -0.54 0.00 0.00 0.00 0.00 54.91 53.75 3ek1 h ALA 431 Cb 1.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.56 3ek1 h ALA 431 CO 0.18 0.72 0.81 -0.51 0.00 0.00 0.00 179.25 180.45 3ek1 s LEU 432 N -6.87 4.33 -1.18 0.00 1.43 -0.71 -4.93 118.68 110.75 3ek1 s LEU 432 Ca 0.01 2.18 -0.08 0.00 -1.03 0.00 0.00 54.13 55.21 3ek1 s LEU 432 Cb 0.10 -3.57 0.23 0.00 0.03 0.00 0.00 46.19 42.99 3ek1 s LEU 432 CO 0.74 -0.70 1.62 -0.62 0.23 0.00 0.00 176.35 177.61 3ek1 n GLU 433 N 5.03 3.94 -4.00 1.70 1.02 -1.26 -4.91 120.64 122.16 3ek1 n GLU 433 Ca 0.13 -4.05 -0.08 0.00 -0.02 0.00 0.00 57.16 53.13 3ek1 n GLU 433 Cb 0.43 -2.74 -0.10 0.00 -0.02 0.00 0.00 31.44 29.02 3ek1 n GLU 433 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ek1 s TYR 434 N -0.93 0.33 -0.32 -0.32 2.02 -1.26 -4.36 117.35 112.51 3ek1 s TYR 434 Ca 0.36 -0.72 0.27 0.00 -0.37 0.00 0.00 57.07 56.61 3ek1 s TYR 434 Cb 0.05 -0.24 0.86 0.00 -0.40 0.00 0.00 41.96 42.23 3ek1 s TYR 434 CO 0.04 -0.34 1.78 0.78 -1.57 0.00 0.00 175.55 176.24 3ek1 h GLY 435 N 3.66 0.00 -5.84 0.71 0.00 -0.02 -3.45 103.07 98.13 3ek1 h GLY 435 Ca -0.33 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3ek1 h GLY 435 CO 0.54 0.00 -0.37 1.06 0.00 0.00 0.00 176.54 177.77 3ek1 s MET 436 N -3.36 0.31 -0.10 4.80 -1.94 -0.74 -4.78 119.30 113.50 3ek1 s MET 436 Ca 0.05 0.73 0.01 0.00 -1.71 0.00 0.00 55.69 54.77 3ek1 s MET 436 Cb 0.08 -0.02 0.02 0.00 2.01 0.00 0.00 34.83 36.92 3ek1 s MET 436 CO 0.57 -0.18 -0.10 0.08 -0.01 0.00 0.00 175.02 175.38 3ek1 s VAL 437 N 1.53 1.16 -0.17 -6.03 1.01 -1.26 -1.18 120.40 115.47 3ek1 s VAL 437 Ca -0.08 -0.42 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 3ek1 s VAL 437 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3ek1 s VAL 437 CO -0.11 0.38 0.34 -0.83 0.00 0.00 0.00 175.10 174.88 3ek1 s GLY 438 N 1.26 2.20 -0.29 4.51 0.00 -0.21 -4.99 107.32 109.80 3ek1 s GLY 438 Ca -0.03 -0.45 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 3ek1 s GLY 438 CO -0.04 0.58 0.01 -1.58 0.00 0.00 0.00 173.10 172.07 3ek1 s HIS 439 N 0.72 3.20 -1.73 1.90 2.46 -1.26 -0.20 115.29 120.38 3ek1 s HIS 439 Ca 0.18 -1.64 0.00 0.00 0.47 0.00 0.00 55.06 54.08 3ek1 s HIS 439 Cb -0.14 -2.13 0.00 0.00 -0.13 0.00 0.00 32.58 30.18 3ek1 s HIS 439 CO 0.06 -0.75 0.00 0.09 -2.47 0.00 0.00 174.74 171.67 3ek1 n ASN 440 N 4.69 -5.10 -3.78 9.88 3.02 0.48 -4.98 115.26 119.46 3ek1 n ASN 440 Ca -0.14 0.29 -0.13 0.00 -0.03 0.00 0.00 54.58 54.57 3ek1 n ASN 440 Cb 0.45 -4.15 -0.09 0.00 -0.61 0.00 0.00 39.78 35.38 3ek1 n ASN 440 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ek1 s THR 441 N -2.72 0.07 -2.22 3.41 -1.32 -1.26 -4.99 115.64 106.61 3ek1 s THR 441 Ca 0.00 -0.55 0.21 0.00 -1.21 0.00 0.00 61.69 60.14 3ek1 s THR 441 Cb 0.00 -0.65 0.06 0.00 -1.51 0.00 0.00 72.50 70.39 3ek1 s THR 441 CO 0.00 -0.30 1.09 0.61 -2.21 0.00 0.00 174.62 173.81 3ek1 n GLY 442 N 1.17 0.31 3.00 6.08 0.00 -1.26 -4.67 105.19 109.82 3ek1 n GLY 442 Ca -0.21 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 3ek1 n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 443 N -2.19 2.91 0.00 0.99 1.43 -1.26 -4.23 118.68 116.32 3ek1 s LEU 443 Ca 0.20 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.13 3ek1 s LEU 443 Cb 0.17 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 45.07 3ek1 s LEU 443 CO 0.44 -0.21 0.55 2.30 0.23 0.00 0.00 176.35 179.67 3ek1 n ILE 444 N 4.57 0.00 -2.68 -0.59 -5.35 -1.26 -5.03 119.36 109.01 3ek1 n ILE 444 Ca -0.13 -0.46 -0.42 0.00 -0.27 0.00 0.00 62.75 61.47 3ek1 n ILE 444 Cb 0.43 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.39 3ek1 n ILE 444 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ek1 s SER 445 N -0.84 7.38 0.26 7.28 0.01 -1.26 -5.01 113.70 121.52 3ek1 s SER 445 Ca 0.06 1.74 -0.19 0.00 1.31 0.00 0.00 55.95 58.87 3ek1 s SER 445 Cb 0.05 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.77 3ek1 s SER 445 CO 0.13 -0.23 0.92 -0.46 0.41 0.00 0.00 173.24 174.01 3ek1 n ASN 446 N 3.56 -1.92 0.00 2.44 0.23 -1.26 -5.05 115.26 113.26 3ek1 n ASN 446 Ca 0.05 -2.15 0.11 0.00 -0.53 0.00 0.00 54.58 52.06 3ek1 n ASN 446 Cb 0.50 3.15 0.11 0.00 -2.08 0.00 0.00 39.78 41.46 3ek1 n ASN 446 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3ek1 n GLU 447 N -0.64 0.04 0.05 -3.83 0.00 -1.26 -4.51 120.64 110.50 3ek1 n GLU 447 Ca -0.05 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.23 3ek1 n GLU 447 Cb 0.58 -1.51 0.06 0.00 0.00 0.00 0.00 31.44 30.56 3ek1 n GLU 447 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 3ek1 n VAL 448 N -1.56 0.33 -4.30 3.84 0.24 -1.26 -0.96 118.33 114.65 3ek1 n VAL 448 Ca 0.05 -0.33 -0.25 0.00 -2.04 0.00 0.00 64.34 61.76 3ek1 n VAL 448 Cb 0.35 -0.04 -0.08 0.00 -1.47 0.00 0.00 33.84 32.59 3ek1 n VAL 448 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 s ALA 449 N -3.24 3.04 0.09 2.33 0.00 -1.26 -3.75 121.76 118.97 3ek1 s ALA 449 Ca 0.03 -1.56 -0.27 0.00 0.00 0.00 0.00 51.96 50.16 3ek1 s ALA 449 Cb 0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.45 3ek1 s ALA 449 CO 0.77 0.38 0.86 -1.25 0.00 0.00 0.00 175.76 176.52 3ek1 s PRO 450 N -3.21 4.61 -0.08 0.00 0.04 -1.26 -3.65 135.00 131.44 3ek1 s PRO 450 Ca 0.28 1.27 0.05 0.00 0.04 0.00 0.00 61.00 62.63 3ek1 s PRO 450 Cb -0.08 -3.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 3ek1 s PRO 450 CO 0.17 0.27 -0.24 -0.06 0.04 0.00 0.00 177.00 177.18 3ek1 s PHE 451 N -0.11 2.51 -4.32 0.56 0.08 0.16 -4.89 117.98 111.96 3ek1 s PHE 451 Ca 0.42 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.56 3ek1 s PHE 451 Cb -0.22 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3ek1 s PHE 451 CO 0.27 -0.34 0.00 0.41 -0.10 0.00 0.00 175.22 175.46 3ek1 n GLY 452 N 3.29 -2.46 3.40 4.36 0.00 -1.26 -0.52 105.19 111.99 3ek1 n GLY 452 Ca -0.18 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.31 3ek1 n GLY 452 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ek1 s GLY 453 N 0.00 1.63 0.61 -0.02 0.00 -1.26 -4.04 107.32 104.24 3ek1 s GLY 453 Ca 0.00 -1.58 0.07 0.00 0.00 0.00 0.00 44.72 43.20 3ek1 s GLY 453 CO 0.00 -1.61 0.84 -1.34 0.00 0.00 0.00 173.10 170.99 3ek1 s VAL 454 N -1.63 2.18 0.00 1.40 -7.23 -0.41 -4.22 120.40 110.49 3ek1 s VAL 454 Ca 0.19 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3ek1 s VAL 454 Cb -0.08 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.57 3ek1 s VAL 454 CO 0.09 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.17 3ek1 n LYS 455 N -2.39 0.00 -0.20 4.82 5.02 -1.26 -1.44 118.16 122.70 3ek1 n LYS 455 Ca 0.15 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.48 3ek1 n LYS 455 Cb 0.61 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.76 3ek1 n LYS 455 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ek1 n GLN 456 N 14.00 1.89 0.00 1.97 6.02 -0.23 -3.92 117.38 137.11 3ek1 n GLN 456 Ca 0.00 -1.09 0.14 0.00 -0.01 0.00 0.00 57.00 56.04 3ek1 n GLN 456 Cb 0.00 -1.37 0.66 0.00 1.02 0.00 0.00 30.24 30.54 3ek1 n GLN 456 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3ek1 n SER 457 N 0.32 0.57 0.00 1.08 7.64 -0.52 -4.52 113.62 118.19 3ek1 n SER 457 Ca 0.10 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 59.15 3ek1 n SER 457 Cb 0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3ek1 n SER 457 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ek1 n GLY 458 N 1.21 0.95 3.10 0.23 0.00 -1.25 -0.13 105.19 109.30 3ek1 n GLY 458 Ca 0.17 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ek1 n GLY 458 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 459 N 0.00 0.65 0.00 0.99 1.43 0.16 -4.65 118.68 117.25 3ek1 s LEU 459 Ca 0.00 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 3ek1 s LEU 459 Cb 0.00 0.83 0.00 0.00 0.03 0.00 0.00 46.19 47.05 3ek1 s LEU 459 CO 0.00 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.06 3ek1 n GLY 460 N 3.68 -0.17 3.12 -3.19 0.00 -1.26 -1.53 105.19 105.84 3ek1 n GLY 460 Ca -0.20 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.86 3ek1 n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 461 N -1.69 0.69 0.17 1.61 1.81 -1.26 -4.44 118.95 115.83 3ek1 s ARG 461 Ca 0.00 -0.86 0.11 0.00 -1.72 0.00 0.00 55.73 53.26 3ek1 s ARG 461 Cb 0.00 -0.59 -0.04 0.00 -0.45 0.00 0.00 34.95 33.87 3ek1 s ARG 461 CO 0.00 0.13 -0.24 -1.21 -0.68 0.00 0.00 175.30 173.29 3ek1 s GLU 462 N -1.64 1.52 0.22 3.54 2.02 0.32 -4.41 118.70 120.26 3ek1 s GLU 462 Ca -0.05 -1.44 0.00 0.00 0.02 0.00 0.00 54.97 53.50 3ek1 s GLU 462 Cb -0.10 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3ek1 s GLU 462 CO 0.01 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3ek1 n GLY 463 N 0.50 -1.69 0.64 -1.39 0.00 -1.26 0.39 105.19 102.39 3ek1 n GLY 463 Ca -0.14 -1.29 0.08 0.00 0.00 0.00 0.00 46.02 44.67 3ek1 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 464 N -3.10 -3.85 0.00 1.61 3.41 -0.14 -1.51 113.62 110.04 3ek1 n SER 464 Ca 0.01 0.43 0.02 0.00 -0.26 0.00 0.00 58.87 59.06 3ek1 n SER 464 Cb 0.42 -2.06 0.09 0.00 -0.26 0.00 0.00 64.21 62.40 3ek1 n SER 464 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3ek1 n LYS 465 N -3.17 0.04 0.00 4.33 -0.00 -1.26 -1.78 118.16 116.32 3ek1 n LYS 465 Ca -0.01 0.30 0.12 0.00 -0.00 0.00 0.00 58.31 58.71 3ek1 n LYS 465 Cb 0.30 -1.50 0.21 0.00 -0.00 0.00 0.00 35.03 34.04 3ek1 n LYS 465 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ek1 n TYR 466 N -1.34 0.00 -0.13 5.58 4.01 -1.25 -4.47 117.16 119.56 3ek1 n TYR 466 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3ek1 n TYR 466 Cb 0.03 -0.20 -0.02 0.00 -0.31 0.00 0.00 39.34 38.84 3ek1 n TYR 466 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ek1 h GLY 467 N 4.99 0.89 2.00 2.72 0.00 -0.45 -3.27 103.07 109.95 3ek1 h GLY 467 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 47.33 46.43 3ek1 h GLY 467 CO 0.00 0.75 -0.37 1.19 0.00 0.00 0.00 176.54 178.11 3ek1 h ILE 468 N 0.62 1.00 0.00 2.60 2.10 -1.78 -2.74 117.51 119.31 3ek1 h ILE 468 Ca 0.08 -1.40 0.00 0.00 1.08 0.00 0.00 64.86 64.62 3ek1 h ILE 468 Cb 0.78 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.33 3ek1 h ILE 468 CO 0.06 0.36 0.00 1.05 -1.08 0.00 0.00 178.15 178.55 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.85 0.05 114.58 119.09 3ek1 h GLU 469 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ek1 h GLU 469 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3ek1 h GLU 469 CO 0.05 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.06 3ek1 h GLU 470 N 0.00 0.00 -0.11 1.06 4.39 -1.67 -2.81 114.58 115.43 3ek1 h GLU 470 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ek1 h GLU 470 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3ek1 h GLU 470 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3ek1 n TYR 471 N -2.59 0.22 -4.57 4.33 4.01 0.00 -5.00 117.16 113.56 3ek1 n TYR 471 Ca 0.01 -0.66 -0.28 0.00 -0.16 0.00 0.00 57.90 56.81 3ek1 n TYR 471 Cb 0.22 -0.10 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 3ek1 n TYR 471 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ek1 s LEU 472 N -1.64 2.25 -0.04 7.72 1.43 -1.06 -0.82 118.68 126.52 3ek1 s LEU 472 Ca 0.17 -0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3ek1 s LEU 472 Cb 0.13 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3ek1 s LEU 472 CO 0.05 0.18 0.04 -1.61 0.23 0.00 0.00 176.35 175.25 3ek1 s GLU 473 N -1.68 2.99 -0.12 1.70 0.41 0.92 -4.72 118.70 118.21 3ek1 s GLU 473 Ca 0.11 -0.47 -0.20 0.00 -0.41 0.00 0.00 54.97 54.01 3ek1 s GLU 473 Cb -0.10 -2.81 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 3ek1 s GLU 473 CO 0.04 0.67 0.54 0.99 -0.49 0.00 0.00 175.26 177.01 3ek1 s THR 474 N -1.06 5.14 -0.16 3.63 2.01 -1.26 -2.07 115.64 121.86 3ek1 s THR 474 Ca 0.19 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.28 3ek1 s THR 474 Cb -0.12 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.53 3ek1 s THR 474 CO 0.09 0.28 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.36 3ek1 s LYS 475 N 0.85 2.83 -0.25 4.92 2.20 -0.09 -5.01 119.74 125.18 3ek1 s LYS 475 Ca 0.29 -0.77 -0.15 0.00 -0.36 0.00 0.00 55.97 54.97 3ek1 s LYS 475 Cb -0.16 -2.43 -0.04 0.00 -1.51 0.00 0.00 37.83 33.70 3ek1 s LYS 475 CO 0.12 -0.18 0.40 -0.47 -0.36 0.00 0.00 175.35 174.86 3ek1 s TYR 476 N 1.24 3.28 -0.17 4.03 5.04 -1.26 -1.34 117.35 128.17 3ek1 s TYR 476 Ca 0.03 0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 55.13 3ek1 s TYR 476 Cb -0.13 -2.58 -0.01 0.00 0.35 0.00 0.00 41.96 39.59 3ek1 s TYR 476 CO -0.10 -0.18 -0.09 0.42 -1.34 0.00 0.00 175.55 174.25 3ek1 s ILE 477 N 1.92 3.19 -0.32 3.14 1.01 0.15 -5.00 121.20 125.28 3ek1 s ILE 477 Ca 0.17 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 3ek1 s ILE 477 Cb -0.15 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 39.99 3ek1 s ILE 477 CO 0.09 0.48 0.04 0.00 0.00 0.00 0.00 174.94 175.56 3ek1 s SER 479 N 1.34 4.29 0.07 0.00 0.01 -0.58 -4.95 113.70 113.87 3ek1 s SER 479 Ca -0.02 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.72 3ek1 s SER 479 Cb -0.20 -1.71 -0.07 0.00 0.21 0.00 0.00 66.02 64.25 3ek1 s SER 479 CO -0.02 0.06 0.56 0.00 0.41 0.00 0.00 173.24 174.25 3ek1 s ALA 480 N 1.01 3.60 0.14 1.44 0.00 -1.26 -0.09 121.76 126.59 3ek1 s ALA 480 Ca -0.00 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.01 3ek1 s ALA 480 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 3ek1 s ALA 480 CO -0.00 0.41 -0.10 1.52 0.00 0.00 0.00 175.76 177.58 3ek1 s TYR 481 N -1.13 1.24 -0.23 0.00 -0.85 -0.21 -4.99 117.35 111.17 3ek1 s TYR 481 Ca 0.29 -0.74 -0.26 0.00 -0.52 0.00 0.00 57.07 55.84 3ek1 s TYR 481 Cb -0.19 -0.64 -0.00 0.00 0.38 0.00 0.00 41.96 41.51 3ek1 s TYR 481 CO 0.19 0.07 0.91 -1.59 -1.52 0.00 0.00 175.55 173.60 3ek1 s LYS 482 N -3.59 4.22 0.00 -3.49 0.00 -1.26 -4.77 119.74 110.85 3ek1 s LYS 482 Ca 0.15 1.10 0.23 0.00 0.00 0.00 0.00 55.97 57.45 3ek1 s LYS 482 Cb 0.02 -3.64 1.39 0.00 0.00 0.00 0.00 37.83 35.60 3ek1 s LYS 482 CO 0.00 -0.54 1.76 0.54 0.00 0.00 0.00 175.35 177.11