#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 s SER 0 N 0.00 0.04 0.10 1.61 0.15 -1.26 -5.19 113.70 109.15 3ek1 s SER 0 Ca 0.00 -0.92 -0.25 0.00 0.70 0.00 0.00 55.95 55.48 3ek1 s SER 0 Cb 0.00 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.82 3ek1 s SER 0 CO 0.00 -0.91 0.62 -0.32 1.20 0.00 0.00 173.24 173.83 3ek1 s MET 1 N -3.99 1.21 0.60 5.44 -2.45 -1.26 -5.14 119.30 113.71 3ek1 s MET 1 Ca 0.19 -0.27 -0.20 0.00 -1.25 0.00 0.00 55.69 54.17 3ek1 s MET 1 Cb 0.03 0.56 -0.03 0.00 1.25 0.00 0.00 34.83 36.64 3ek1 s MET 1 CO 0.02 -0.49 1.31 1.28 1.05 0.00 0.00 175.02 178.19 3ek1 n LEU 2 N -0.00 5.71 -3.44 4.11 4.77 -1.26 -4.88 117.00 122.01 3ek1 n LEU 2 Ca -0.18 0.90 -0.40 0.00 -0.03 0.00 0.00 56.01 56.31 3ek1 n LEU 2 Cb 0.63 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 40.14 3ek1 n LEU 2 CO 0.16 -0.82 3.00 0.00 -1.33 0.00 0.00 177.39 178.40 3ek1 n ALA 3 N -1.48 7.01 -1.84 -1.18 0.00 -1.26 -4.92 120.51 116.84 3ek1 n ALA 3 Ca 0.13 -3.75 -0.41 0.00 0.00 0.00 0.00 53.44 49.42 3ek1 n ALA 3 Cb 0.46 -3.24 -0.04 0.00 0.00 0.00 0.00 19.45 16.64 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 -0.11 4.52 0.19 0.00 1.43 -1.26 -4.94 118.68 118.50 3ek1 s LEU 4 Ca 0.62 2.29 -0.02 0.00 -1.03 0.00 0.00 54.13 55.98 3ek1 s LEU 4 Cb 0.17 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.87 3ek1 s LEU 4 CO -0.07 -0.23 1.49 0.11 0.23 0.00 0.00 176.35 177.88 3ek1 h LYS 5 N 4.16 0.50 -4.52 1.70 1.57 -1.96 -3.38 116.57 114.64 3ek1 h LYS 5 Ca -0.46 -0.34 -0.64 0.00 -1.87 0.00 0.00 60.65 57.33 3ek1 h LYS 5 Cb 1.21 0.05 -0.39 0.00 0.08 0.00 0.00 32.23 33.18 3ek1 h LYS 5 CO 0.69 0.95 -0.75 0.34 -0.57 0.00 0.00 179.45 180.11 3ek1 s ASP 6 N -6.94 4.44 0.57 0.86 -1.08 -1.26 -5.00 116.67 108.26 3ek1 s ASP 6 Ca -0.07 -1.75 0.34 0.00 -0.52 0.00 0.00 52.55 50.55 3ek1 s ASP 6 Cb 0.11 -1.43 1.68 0.00 -1.46 0.00 0.00 42.92 41.83 3ek1 s ASP 6 CO 0.84 -0.32 2.12 1.55 0.52 0.00 0.00 175.17 179.89 3ek1 h PRO 7 N 7.77 0.00 0.00 4.34 0.13 -1.97 -3.00 132.00 139.26 3ek1 h PRO 7 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3ek1 h PRO 7 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3ek1 h PRO 7 CO 0.48 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 177.18 3ek1 n SER 8 N -3.33 0.00 0.15 1.44 3.41 -1.26 -2.69 113.62 111.34 3ek1 n SER 8 Ca -0.01 -0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.63 3ek1 n SER 8 Cb 0.22 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.14 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 -8.68 1.04 3.38 -1.92 -3.43 115.31 105.70 3ek1 h LEU 9 Ca 0.00 -0.03 -0.66 0.00 0.09 0.00 0.00 57.88 57.28 3ek1 h LEU 9 Cb 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.70 3ek1 h LEU 9 CO 0.00 0.01 -0.11 -0.22 0.09 0.00 0.00 178.44 178.21 3ek1 s LEU 10 N -5.44 4.51 0.22 1.67 2.96 -1.10 -3.79 118.68 117.71 3ek1 s LEU 10 Ca 0.06 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.80 3ek1 s LEU 10 Cb 0.08 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3ek1 s LEU 10 CO 0.68 -0.51 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.64 3ek1 s LYS 11 N 2.31 2.29 -0.09 1.98 -0.14 -1.26 -5.03 119.74 119.81 3ek1 s LYS 11 Ca 0.16 -1.30 0.13 0.00 -1.36 0.00 0.00 55.97 53.60 3ek1 s LYS 11 Cb -0.16 -2.22 0.22 0.00 -1.68 0.00 0.00 37.83 33.99 3ek1 s LYS 11 CO 0.14 0.40 1.11 -1.13 -0.76 0.00 0.00 175.35 175.11 3ek1 n SER 12 N -0.51 1.53 -4.15 2.83 3.41 -1.26 -4.88 113.62 110.59 3ek1 n SER 12 Ca -0.08 -2.77 -0.10 0.00 -0.26 0.00 0.00 58.87 55.66 3ek1 n SER 12 Cb 0.57 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.91 0.83 0.18 4.33 -0.21 -1.26 -4.02 119.66 117.59 3ek1 s GLN 13 Ca 0.23 -1.35 -0.04 0.00 0.02 0.00 0.00 55.36 54.21 3ek1 s GLN 13 Cb 0.20 0.00 -0.05 0.00 1.00 0.00 0.00 33.01 34.16 3ek1 s GLN 13 CO 0.01 -0.11 0.41 0.00 -2.12 0.00 0.00 175.29 173.48 3ek1 s LEU 15 N -2.95 5.12 -0.12 0.00 2.96 -0.73 0.22 118.68 123.17 3ek1 s LEU 15 Ca 0.41 -0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 3ek1 s LEU 15 Cb -0.12 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.40 3ek1 s LEU 15 CO 0.26 -0.51 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.08 3ek1 s VAL 16 N 1.79 0.67 -1.30 1.68 1.01 -0.29 -0.96 120.40 122.99 3ek1 s VAL 16 Ca 0.07 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3ek1 s VAL 16 Cb -0.19 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3ek1 s VAL 16 CO 0.10 0.16 0.54 -3.20 0.00 0.00 0.00 175.10 172.70 3ek1 n ASN 17 N 5.04 -2.49 0.00 3.32 5.15 -1.26 -1.20 115.26 123.81 3ek1 n ASN 17 Ca -0.09 -1.10 0.00 0.00 -0.60 0.00 0.00 54.58 52.78 3ek1 n ASN 17 Cb 0.49 -2.70 0.00 0.00 -0.53 0.00 0.00 39.78 37.04 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 -1.99 0.61 3.40 8.20 0.00 -1.26 -4.57 105.19 109.58 3ek1 n GLY 18 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.34 1.47 -0.31 1.61 0.52 -0.34 -4.98 118.95 116.57 3ek1 s ARG 19 Ca 0.00 -1.52 -0.14 0.00 -0.52 0.00 0.00 55.73 53.55 3ek1 s ARG 19 Cb 0.00 -1.70 -0.03 0.00 0.52 0.00 0.00 34.95 33.75 3ek1 s ARG 19 CO 0.00 0.36 0.31 -1.58 0.02 0.00 0.00 175.30 174.41 3ek1 s TRP 20 N -1.87 3.22 0.14 -0.53 0.52 -1.26 -1.14 118.94 118.03 3ek1 s TRP 20 Ca 0.20 0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.49 3ek1 s TRP 20 Cb -0.07 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 3ek1 s TRP 20 CO 0.10 -0.31 -0.16 0.96 0.02 0.00 0.00 176.95 177.56 3ek1 s ILE 21 N 1.94 1.54 0.47 2.03 -4.36 0.13 -4.88 121.20 118.08 3ek1 s ILE 21 Ca 0.11 -1.83 0.07 0.00 -0.26 0.00 0.00 60.65 58.74 3ek1 s ILE 21 Cb -0.16 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.88 3ek1 s ILE 21 CO 0.11 -0.39 0.64 -1.81 0.24 0.00 0.00 174.94 173.73 3ek1 s ASP 22 N -2.59 5.50 0.35 4.36 1.11 -1.26 -1.19 116.67 122.95 3ek1 s ASP 22 Ca 0.12 -0.37 -0.28 0.00 0.18 0.00 0.00 52.55 52.20 3ek1 s ASP 22 Cb -0.05 -0.60 -0.10 0.00 1.07 0.00 0.00 42.92 43.24 3ek1 s ASP 22 CO 0.04 -0.92 1.28 0.00 1.18 0.00 0.00 175.17 176.76 3ek1 s ALA 23 N -2.48 3.42 0.40 5.23 0.00 -1.26 -4.92 121.76 122.14 3ek1 s ALA 23 Ca 0.56 1.21 0.16 0.00 0.00 0.00 0.00 51.96 53.89 3ek1 s ALA 23 Cb -0.10 -3.46 1.03 0.00 0.00 0.00 0.00 23.12 20.60 3ek1 s ALA 23 CO 0.35 -0.64 1.85 0.00 0.00 0.00 0.00 175.76 177.32 3ek1 h ALA 24 N 3.20 2.13 -0.27 0.00 0.00 -1.94 0.53 119.26 122.91 3ek1 h ALA 24 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ek1 h ALA 24 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3ek1 h ALA 24 CO 0.65 -0.42 0.00 -0.40 0.00 0.00 0.00 179.25 179.08 3ek1 n ASP 25 N -4.54 2.40 0.00 0.00 5.68 -1.26 -4.94 116.55 113.89 3ek1 n ASP 25 Ca 0.19 -1.85 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 3ek1 n ASP 25 Cb 0.67 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 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 1.28 0.65 3.83 6.12 0.00 0.18 -4.99 105.19 112.25 3ek1 n GLY 26 Ca 0.17 0.00 -0.32 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 -2.73 4.23 0.12 2.61 -4.23 -1.26 -4.89 115.64 109.49 3ek1 s THR 27 Ca 0.00 0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 3ek1 s THR 27 Cb 0.00 -3.57 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 3ek1 s THR 27 CO 0.00 -0.76 0.08 0.42 -0.54 0.00 0.00 174.62 173.81 3ek1 s THR 28 N -2.78 0.11 -0.09 3.99 -4.23 -1.26 -1.31 115.64 110.06 3ek1 s THR 28 Ca 0.59 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 3ek1 s THR 28 Cb -0.13 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3ek1 s THR 28 CO 0.43 -0.51 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.21 3ek1 s ILE 29 N -4.02 2.87 -0.07 2.99 1.01 0.11 -4.67 121.20 119.44 3ek1 s ILE 29 Ca 0.21 -0.75 -0.21 0.00 0.00 0.00 0.00 60.65 59.89 3ek1 s ILE 29 Cb 0.07 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3ek1 s ILE 29 CO -0.00 0.55 0.62 -0.54 0.00 0.00 0.00 174.94 175.57 3ek1 s LYS 30 N -0.05 4.39 -0.30 2.79 1.02 -1.26 -0.99 119.74 125.34 3ek1 s LYS 30 Ca -0.04 0.74 -0.13 0.00 0.02 0.00 0.00 55.97 56.56 3ek1 s LYS 30 Cb -0.14 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3ek1 s LYS 30 CO 0.04 0.15 0.26 0.08 -0.92 0.00 0.00 175.35 174.96 3ek1 s VAL 31 N 0.54 5.26 -0.07 3.17 1.01 0.26 -5.00 120.40 125.56 3ek1 s VAL 31 Ca 0.33 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3ek1 s VAL 31 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3ek1 s VAL 31 CO 0.16 0.12 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 3ek1 s THR 32 N 1.85 3.39 -0.19 3.92 2.01 -1.26 -0.44 115.64 124.91 3ek1 s THR 32 Ca 0.09 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.21 3ek1 s THR 32 Cb -0.16 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.96 3ek1 s THR 32 CO 0.11 0.58 1.39 0.21 -0.69 0.00 0.00 174.62 176.22 3ek1 s ASN 33 N -0.58 6.74 0.14 3.53 3.84 -0.26 -4.74 114.94 123.61 3ek1 s ASN 33 Ca 0.08 1.65 0.21 0.00 0.21 0.00 0.00 52.86 55.01 3ek1 s ASN 33 Cb -0.12 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.90 3ek1 s ASN 33 CO 0.02 -0.95 1.65 -0.81 -2.79 0.00 0.00 177.10 174.21 3ek1 n PRO 34 N 7.04 0.12 0.11 0.43 -0.04 -1.26 -0.18 135.00 141.22 3ek1 n PRO 34 Ca 0.15 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.88 3ek1 n PRO 34 Cb 0.45 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 32.26 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 2.44 0.71 0.00 0.55 0.00 -1.91 -3.41 119.26 117.64 3ek1 h ALA 35 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3ek1 h ALA 35 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ek1 h ALA 35 CO 0.00 0.96 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 3ek1 n ASP 36 N -3.60 0.00 0.00 0.00 5.68 -1.11 -4.92 116.55 112.59 3ek1 n ASP 36 Ca -0.01 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 3ek1 n ASP 36 Cb 0.75 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.73 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 1.69 3.69 6.12 0.00 0.75 -5.01 105.19 112.43 3ek1 n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 2.26 -4.66 1.61 3.41 -1.26 -4.66 113.62 110.33 3ek1 n SER 38 Ca 0.00 1.06 -0.41 0.00 -0.26 0.00 0.00 58.87 59.26 3ek1 n SER 38 Cb 0.00 -1.48 -0.05 0.00 -0.26 0.00 0.00 64.21 62.41 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 -1.25 4.97 -0.02 -3.33 1.01 -1.26 -1.11 120.40 119.41 3ek1 s VAL 39 Ca 0.64 1.31 -0.04 0.00 0.00 0.00 0.00 61.98 63.89 3ek1 s VAL 39 Cb -0.49 -4.00 -0.28 0.00 0.00 0.00 0.00 36.38 31.61 3ek1 s VAL 39 CO 0.56 0.06 0.76 0.40 0.00 0.00 0.00 175.10 176.88 3ek1 h ILE 40 N 5.24 1.04 0.00 2.22 2.04 -1.11 -3.48 117.51 123.46 3ek1 h ILE 40 Ca -0.29 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 62.88 3ek1 h ILE 40 Cb 1.13 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.92 3ek1 h ILE 40 CO 0.80 0.81 0.00 0.61 0.00 0.00 0.00 178.15 180.37 3ek1 n GLY 41 N 1.73 -0.96 3.53 5.37 0.00 -1.22 -5.01 105.19 108.63 3ek1 n GLY 41 Ca -0.20 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 2.45 0.11 2.61 -4.23 -1.26 -0.57 115.64 112.74 3ek1 s THR 42 Ca 0.00 -2.24 0.02 0.00 -1.18 0.00 0.00 61.69 58.29 3ek1 s THR 42 Cb 0.00 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 3ek1 s THR 42 CO 0.00 -0.28 -0.06 0.68 -0.54 0.00 0.00 174.62 174.41 3ek1 s VAL 43 N -2.54 0.74 0.61 2.29 -7.23 -0.16 -4.36 120.40 109.74 3ek1 s VAL 43 Ca 0.32 -1.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.36 3ek1 s VAL 43 Cb -0.01 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 3ek1 s VAL 43 CO 0.16 -0.82 1.16 -2.84 -0.31 0.00 0.00 175.10 172.45 3ek1 s PRO 44 N -3.83 2.94 -0.75 4.82 0.02 -1.26 0.07 135.00 137.01 3ek1 s PRO 44 Ca 0.13 1.63 -0.10 0.00 0.02 0.00 0.00 61.00 62.68 3ek1 s PRO 44 Cb 0.05 -1.95 0.20 0.00 0.02 0.00 0.00 34.50 32.82 3ek1 s PRO 44 CO -0.03 -1.18 0.65 0.45 -0.33 0.00 0.00 177.00 176.56 3ek1 s SER 45 N -1.97 6.24 0.61 2.53 0.15 -0.43 -3.64 113.70 117.18 3ek1 s SER 45 Ca 0.73 -2.73 -0.14 0.00 0.70 0.00 0.00 55.95 54.51 3ek1 s SER 45 Cb -0.25 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 61.93 3ek1 s SER 45 CO 0.35 -0.51 1.05 -0.76 1.20 0.00 0.00 173.24 174.56 3ek1 s LEU 46 N 0.12 3.42 0.45 3.45 1.43 -0.23 -4.74 118.68 122.58 3ek1 s LEU 46 Ca 0.17 1.71 -0.02 0.00 -1.03 0.00 0.00 54.13 54.96 3ek1 s LEU 46 Cb -0.14 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.54 3ek1 s LEU 46 CO -0.07 -1.13 0.71 -0.94 0.23 0.00 0.00 176.35 175.16 3ek1 s SER 47 N -3.14 6.05 0.29 2.29 1.04 -1.26 -4.59 113.70 114.39 3ek1 s SER 47 Ca 0.61 0.59 0.01 0.00 0.48 0.00 0.00 55.95 57.65 3ek1 s SER 47 Cb -0.14 -1.91 0.55 0.00 0.10 0.00 0.00 66.02 64.61 3ek1 s SER 47 CO 0.41 -0.61 1.86 0.58 0.98 0.00 0.00 173.24 176.46 3ek1 h VAL 48 N 0.35 0.96 -0.47 5.02 2.07 -1.96 0.95 116.25 123.18 3ek1 h VAL 48 Ca -0.47 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.71 3ek1 h VAL 48 Cb 1.23 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3ek1 h VAL 48 CO 0.60 0.18 0.31 0.00 0.02 0.00 0.00 177.57 178.68 3ek1 h ALA 49 N 1.53 0.59 -0.50 1.67 0.00 -1.99 0.71 119.26 121.26 3ek1 h ALA 49 Ca 0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 3ek1 h ALA 49 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ek1 h ALA 49 CO -0.23 0.04 0.18 1.15 0.00 0.00 0.00 179.25 180.39 3ek1 h THR 50 N 0.63 1.22 -0.68 0.00 2.02 -1.67 -1.97 112.91 112.46 3ek1 h THR 50 Ca 0.17 -0.72 0.13 0.00 0.77 0.00 0.00 66.41 66.76 3ek1 h THR 50 Cb -0.07 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 3ek1 h THR 50 CO -0.04 0.27 0.22 0.40 0.37 0.00 0.00 175.52 176.74 3ek1 h ILE 51 N 0.68 0.66 -0.58 3.11 1.08 -0.33 -1.01 117.51 121.12 3ek1 h ILE 51 Ca 0.17 -0.13 -0.04 0.00 -0.39 0.00 0.00 64.86 64.47 3ek1 h ILE 51 Cb 0.24 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3ek1 h ILE 51 CO -0.01 0.07 0.18 0.11 -0.69 0.00 0.00 178.15 177.80 3ek1 h LYS 52 N 0.37 0.86 -0.56 2.37 1.57 -0.23 -0.75 116.57 120.20 3ek1 h LYS 52 Ca 0.37 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3ek1 h LYS 52 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 3ek1 h LYS 52 CO -0.40 0.75 0.15 0.93 -0.57 0.00 0.00 179.45 180.31 3ek1 h GLU 53 N 0.84 0.85 -0.77 3.15 5.08 -0.76 -2.08 114.58 120.90 3ek1 h GLU 53 Ca 0.19 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3ek1 h GLU 53 Cb 0.25 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3ek1 h GLU 53 CO -0.01 0.76 0.29 0.00 -1.00 0.00 0.00 179.01 179.05 3ek1 h ALA 54 N 1.34 1.06 -0.44 3.43 0.00 0.13 -1.59 119.26 123.18 3ek1 h ALA 54 Ca 0.18 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 54 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ek1 h ALA 54 CO -0.00 0.66 0.09 0.82 0.00 0.00 0.00 179.25 180.81 3ek1 h ILE 55 N 1.12 1.24 -0.91 0.00 2.04 -1.05 -0.26 117.51 119.70 3ek1 h ILE 55 Ca 0.25 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3ek1 h ILE 55 Cb 0.24 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3ek1 h ILE 55 CO -0.02 0.30 0.60 0.44 0.00 0.00 0.00 178.15 179.47 3ek1 h ASP 56 N 0.59 1.04 -0.68 1.72 3.32 -1.24 -1.23 116.42 119.94 3ek1 h ASP 56 Ca 0.14 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3ek1 h ASP 56 Cb 0.35 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ek1 h ASP 56 CO 0.01 0.75 0.24 0.00 -1.72 0.00 0.00 179.24 178.52 3ek1 h ALA 57 N 1.33 1.10 -0.47 3.45 0.00 -0.76 -0.77 119.26 123.14 3ek1 h ALA 57 Ca 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3ek1 h ALA 57 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3ek1 h ALA 57 CO -0.07 0.62 0.17 1.03 0.00 0.00 0.00 179.25 181.00 3ek1 h SER 58 N 1.03 0.67 -0.61 0.00 0.87 -0.71 -1.25 113.55 113.55 3ek1 h SER 58 Ca 0.23 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3ek1 h SER 58 Cb 0.26 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3ek1 h SER 58 CO -0.01 0.67 0.28 0.00 -0.53 0.00 0.00 176.83 177.24 3ek1 h ALA 59 N 1.02 0.79 -0.43 6.23 0.00 -0.97 -2.08 119.26 123.81 3ek1 h ALA 59 Ca 0.15 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 59 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ek1 h ALA 59 CO -0.01 0.36 -0.02 -0.22 0.00 0.00 0.00 179.25 179.36 3ek1 h LYS 60 N 0.84 0.72 0.00 0.00 1.63 -1.03 -3.09 116.57 115.63 3ek1 h LYS 60 Ca 0.21 -0.19 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 3ek1 h LYS 60 Cb 0.14 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.68 3ek1 h LYS 60 CO -0.02 0.75 -0.12 0.00 -3.45 0.00 0.00 179.45 176.60 3ek1 h ALA 61 N 1.31 0.95 -0.56 5.00 0.00 -0.83 -3.37 119.26 121.76 3ek1 h ALA 61 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 61 Cb 0.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ek1 h ALA 61 CO 0.02 0.15 0.16 1.25 0.00 0.00 0.00 179.25 180.83 3ek1 h LEU 62 N 0.00 0.84 -0.19 0.00 5.85 -1.30 -2.79 115.31 117.71 3ek1 h LEU 62 Ca -0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3ek1 h LEU 62 Cb 0.91 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ek1 h LEU 62 CO 0.02 0.84 0.12 -1.28 -0.34 0.00 0.00 178.44 177.80 3ek1 h SER 63 N 0.80 0.22 -0.10 1.25 0.87 -1.74 0.12 113.55 114.98 3ek1 h SER 63 Ca 0.18 -0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 3ek1 h SER 63 Cb 0.31 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 3ek1 h SER 63 CO -0.00 0.18 -0.50 1.23 -0.53 0.00 0.00 176.83 177.20 3ek1 h GLY 64 N 0.25 0.73 0.86 5.77 0.00 -1.82 -1.37 103.07 107.49 3ek1 h GLY 64 Ca 0.07 -0.82 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 3ek1 h GLY 64 CO -0.01 0.73 -0.05 -0.25 0.00 0.00 0.00 176.54 176.96 3ek1 h TRP 65 N 0.52 0.55 -0.09 5.60 2.91 -1.23 -2.78 115.95 121.43 3ek1 h TRP 65 Ca 0.02 -0.11 -0.08 0.00 1.13 0.00 0.00 58.89 59.85 3ek1 h TRP 65 Cb 1.06 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 29.56 3ek1 h TRP 65 CO 0.05 0.69 -0.30 0.00 -1.03 0.00 0.00 178.44 177.85 3ek1 h ALA 66 N 0.78 1.33 0.00 2.65 0.00 -0.71 -2.90 119.26 120.40 3ek1 h ALA 66 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ek1 h ALA 66 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3ek1 h ALA 66 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3ek1 n ALA 67 N -2.48 2.08 -1.55 0.00 0.00 -0.52 -4.79 120.51 113.25 3ek1 n ALA 67 Ca -0.01 0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 3ek1 n ALA 67 Cb 0.38 -1.45 0.08 0.00 0.00 0.00 0.00 19.45 18.46 3ek1 n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ek1 s LYS 68 N -3.17 2.40 0.74 0.00 1.02 -1.06 -5.02 119.74 114.65 3ek1 s LYS 68 Ca 0.09 1.89 -0.14 0.00 0.02 0.00 0.00 55.97 57.83 3ek1 s LYS 68 Cb 0.11 -1.85 0.05 0.00 -0.52 0.00 0.00 37.83 35.62 3ek1 s LYS 68 CO 0.53 -1.67 1.15 0.95 -0.92 0.00 0.00 175.35 175.39 3ek1 s THR 69 N -1.70 2.73 0.24 2.17 -4.23 -1.26 -4.89 115.64 108.70 3ek1 s THR 69 Ca 0.78 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.56 3ek1 s THR 69 Cb -0.33 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 70.96 3ek1 s THR 69 CO 0.41 -0.24 1.84 0.00 -0.54 0.00 0.00 174.62 176.10 3ek1 h ALA 70 N -0.55 1.20 -0.76 3.99 0.00 -1.95 -2.02 119.26 119.17 3ek1 h ALA 70 Ca -0.46 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3ek1 h ALA 70 Cb 1.27 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3ek1 h ALA 70 CO 0.50 0.24 0.42 -0.22 0.00 0.00 0.00 179.25 180.20 3ek1 h LYS 71 N 0.94 0.71 0.00 0.00 3.64 -1.91 0.53 116.57 120.47 3ek1 h LYS 71 Ca 0.39 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.60 3ek1 h LYS 71 Cb 0.22 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3ek1 h LYS 71 CO -0.19 0.47 -0.59 1.05 -2.27 0.00 0.00 179.45 177.91 3ek1 h GLU 72 N 0.73 0.00 -0.31 1.90 4.11 -1.75 -1.76 114.58 117.50 3ek1 h GLU 72 Ca 0.36 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.64 3ek1 h GLU 72 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3ek1 h GLU 72 CO -0.23 0.59 -0.39 0.00 0.07 0.00 0.00 179.01 179.05 3ek1 h ARG 73 N 0.00 0.82 -0.50 1.06 3.08 -0.96 -2.80 114.38 115.08 3ek1 h ARG 73 Ca -0.01 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.60 3ek1 h ARG 73 Cb 1.31 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.36 3ek1 h ARG 73 CO 0.08 1.09 0.31 0.00 -1.07 0.00 0.00 179.97 180.38 3ek1 h ALA 74 N 0.71 0.64 -0.85 0.04 0.00 -0.79 0.30 119.26 119.31 3ek1 h ALA 74 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 74 Cb 0.98 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3ek1 h ALA 74 CO 0.09 0.02 0.53 0.78 0.00 0.00 0.00 179.25 180.67 3ek1 h GLY 75 N 0.62 1.23 0.76 0.00 0.00 -1.36 0.31 103.07 104.62 3ek1 h GLY 75 Ca 0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ek1 h GLY 75 CO -0.08 0.48 0.01 -2.22 0.00 0.00 0.00 176.54 174.73 3ek1 h ILE 76 N 1.17 1.23 -1.00 2.60 2.04 -1.17 -1.47 117.51 120.91 3ek1 h ILE 76 Ca 0.31 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.52 3ek1 h ILE 76 Cb -0.07 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.52 3ek1 h ILE 76 CO -0.06 0.19 0.65 -0.07 0.00 0.00 0.00 178.15 178.86 3ek1 h LEU 77 N -0.16 1.08 -0.71 1.44 3.38 -0.64 -1.96 115.31 117.76 3ek1 h LEU 77 Ca 0.02 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3ek1 h LEU 77 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3ek1 h LEU 77 CO 0.00 0.74 -0.17 -0.09 0.09 0.00 0.00 178.44 179.01 3ek1 h ARG 78 N 1.25 0.82 -0.74 1.13 2.43 -0.24 -1.17 114.38 117.86 3ek1 h ARG 78 Ca 0.40 -0.31 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 3ek1 h ARG 78 Cb 0.02 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 3ek1 h ARG 78 CO -0.13 0.93 0.40 0.87 -1.51 0.00 0.00 179.97 180.53 3ek1 h LYS 79 N 0.73 0.68 -0.41 0.20 1.57 -0.81 0.95 116.57 119.47 3ek1 h LYS 79 Ca 0.11 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3ek1 h LYS 79 Cb 0.68 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3ek1 h LYS 79 CO 0.05 0.45 0.13 2.35 -0.57 0.00 0.00 179.45 181.86 3ek1 h TRP 80 N 0.70 0.66 0.08 -1.35 7.01 -0.60 -1.15 115.95 121.29 3ek1 h TRP 80 Ca 0.35 -0.06 0.02 0.00 2.11 0.00 0.00 58.89 61.31 3ek1 h TRP 80 Cb 0.31 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 3ek1 h TRP 80 CO -0.08 0.60 -0.21 0.35 -2.79 0.00 0.00 178.44 176.31 3ek1 h PHE 81 N 0.52 -0.56 -0.85 2.65 3.57 -1.01 -0.16 116.94 121.10 3ek1 h PHE 81 Ca 0.13 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3ek1 h PHE 81 Cb 0.25 0.24 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 3ek1 h PHE 81 CO 0.01 -0.30 0.56 -0.44 -2.23 0.00 0.00 178.31 175.90 3ek1 h ASP 82 N -0.38 0.77 -0.02 0.41 3.32 -0.61 -2.04 116.42 117.86 3ek1 h ASP 82 Ca 0.04 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.92 3ek1 h ASP 82 Cb 0.42 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 3ek1 h ASP 82 CO -0.14 0.47 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.13 3ek1 h LEU 83 N 0.86 0.74 -0.19 1.55 3.38 -0.69 -1.04 115.31 119.93 3ek1 h LEU 83 Ca 0.39 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ek1 h LEU 83 Cb 0.37 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3ek1 h LEU 83 CO -0.16 1.20 0.11 0.40 0.09 0.00 0.00 178.44 180.08 3ek1 h ILE 84 N 0.47 1.03 -0.44 1.22 2.04 -0.37 -1.50 117.51 119.95 3ek1 h ILE 84 Ca -0.02 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 65.80 3ek1 h ILE 84 Cb 1.24 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3ek1 h ILE 84 CO 0.13 0.04 0.21 0.40 0.00 0.00 0.00 178.15 178.93 3ek1 h ILE 85 N 0.23 0.95 0.00 -0.67 1.08 -1.29 -0.76 117.51 117.05 3ek1 h ILE 85 Ca 0.07 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.39 3ek1 h ILE 85 Cb -0.01 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.23 3ek1 h ILE 85 CO -0.03 0.08 -0.05 0.00 -0.69 0.00 0.00 178.15 177.46 3ek1 h ALA 86 N 1.25 1.14 -0.16 1.87 0.00 -0.90 -2.84 119.26 119.62 3ek1 h ALA 86 Ca 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ek1 h ALA 86 Cb 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3ek1 h ALA 86 CO -0.15 0.06 -0.13 0.09 0.00 0.00 0.00 179.25 179.13 3ek1 n ASN 87 N -3.35 2.60 -0.17 0.00 3.02 -0.40 -4.83 115.26 112.12 3ek1 n ASN 87 Ca -0.02 -3.44 -0.10 0.00 -0.03 0.00 0.00 54.58 50.99 3ek1 n ASN 87 Cb 0.20 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.90 0.70 -0.73 5.41 0.00 -1.00 -1.70 119.26 122.83 3ek1 h ALA 88 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3ek1 h ALA 88 Cb 1.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ek1 h ALA 88 CO 0.16 0.60 0.32 -0.44 0.00 0.00 0.00 179.25 179.89 3ek1 h ASP 89 N 0.83 0.99 -0.25 0.00 3.32 -1.87 0.23 116.42 119.66 3ek1 h ASP 89 Ca 0.13 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3ek1 h ASP 89 Cb 0.66 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3ek1 h ASP 89 CO 0.05 0.87 -0.11 0.44 -1.72 0.00 0.00 179.24 178.77 3ek1 h ASP 90 N 1.04 0.53 -0.74 6.45 3.32 -1.90 -1.74 116.42 123.38 3ek1 h ASP 90 Ca 0.25 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3ek1 h ASP 90 Cb 0.18 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 3ek1 h ASP 90 CO -0.02 0.81 0.48 0.40 -1.72 0.00 0.00 179.24 179.19 3ek1 h ILE 91 N 0.25 1.20 -0.46 0.35 2.04 -1.11 -1.77 117.51 118.01 3ek1 h ILE 91 Ca 0.06 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3ek1 h ILE 91 Cb 0.61 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3ek1 h ILE 91 CO 0.03 0.19 0.25 0.00 0.00 0.00 0.00 178.15 178.62 3ek1 h ALA 92 N 1.26 0.58 -0.66 1.87 0.00 -0.94 0.05 119.26 121.42 3ek1 h ALA 92 Ca 0.27 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 92 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3ek1 h ALA 92 CO -0.06 -0.09 0.18 1.25 0.00 0.00 0.00 179.25 180.53 3ek1 h LEU 93 N 0.49 0.99 -0.01 0.00 5.85 -0.97 0.11 115.31 121.77 3ek1 h LEU 93 Ca 0.19 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3ek1 h LEU 93 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3ek1 h LEU 93 CO -0.12 0.96 -0.07 0.40 -0.34 0.00 0.00 178.44 179.26 3ek1 h ILE 94 N 0.97 0.80 0.17 4.05 2.04 -0.99 -1.47 117.51 123.09 3ek1 h ILE 94 Ca 0.21 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.07 3ek1 h ILE 94 Cb 0.34 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3ek1 h ILE 94 CO -0.00 0.00 -0.19 -0.03 0.00 0.00 0.00 178.15 177.93 3ek1 h MET 95 N -0.13 -0.38 -0.93 2.37 4.05 -0.68 -2.19 114.93 117.04 3ek1 h MET 95 Ca 0.03 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.55 3ek1 h MET 95 Cb 0.17 0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.99 3ek1 h MET 95 CO -0.08 -0.26 0.60 1.15 0.23 0.00 0.00 176.91 178.55 3ek1 h THR 96 N -0.40 1.05 -0.14 -0.77 2.02 -0.70 -1.14 112.91 112.83 3ek1 h THR 96 Ca 0.01 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3ek1 h THR 96 Cb 0.38 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3ek1 h THR 96 CO -0.06 0.19 0.07 0.28 0.37 0.00 0.00 175.52 176.37 3ek1 h SER 97 N 1.03 0.18 0.97 4.18 0.02 -0.89 -1.96 113.55 117.09 3ek1 h SER 97 Ca 0.41 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 61.04 3ek1 h SER 97 Cb 0.24 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3ek1 h SER 97 CO -0.16 0.25 -1.08 1.05 -1.14 0.00 0.00 176.83 175.74 3ek1 h GLU 98 N 0.10 0.00 0.00 3.45 4.11 -1.17 -3.35 114.58 117.72 3ek1 h GLU 98 Ca 0.05 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.24 3ek1 h GLU 98 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 3ek1 h GLU 98 CO -0.01 0.70 -1.91 0.94 0.07 0.00 0.00 179.01 178.80 3ek1 n GLN 99 N -3.20 1.44 0.00 1.06 0.00 -0.45 -4.46 117.38 111.76 3ek1 n GLN 99 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 3ek1 n GLN 99 Cb 0.90 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.81 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 2.35 2.06 3.73 1.69 0.00 -0.74 -4.61 105.19 109.68 3ek1 n GLY 100 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3ek1 n GLY 100 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek1 s LYS 101 N -0.19 2.54 0.63 1.61 -2.85 -1.26 -4.25 119.74 115.97 3ek1 s LYS 101 Ca 0.00 1.94 -0.19 0.00 -1.00 0.00 0.00 55.97 56.72 3ek1 s LYS 101 Cb 0.00 -1.86 -0.02 0.00 -2.06 0.00 0.00 37.83 33.89 3ek1 s LYS 101 CO 0.00 -1.57 1.30 -2.30 0.10 0.00 0.00 175.35 172.87 3ek1 n PRO 102 N -2.03 1.23 -0.27 1.78 -0.02 -1.26 -4.51 135.00 129.92 3ek1 n PRO 102 Ca 0.15 0.48 0.19 0.00 -2.02 0.00 0.00 63.50 62.29 3ek1 n PRO 102 Cb 0.49 -2.53 0.48 0.00 -0.02 0.00 0.00 33.50 31.93 3ek1 n PRO 102 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3ek1 h LEU 103 N 0.72 0.47 -0.78 2.45 3.38 -1.51 0.17 115.31 120.21 3ek1 h LEU 103 Ca -0.51 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3ek1 h LEU 103 Cb 1.33 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3ek1 h LEU 103 CO 0.54 0.17 -0.31 0.00 0.09 0.00 0.00 178.44 178.93 3ek1 h ALA 104 N 1.61 0.96 -0.10 1.53 0.00 -1.89 0.70 119.26 122.06 3ek1 h ALA 104 Ca 0.50 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 104 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ek1 h ALA 104 CO -0.22 0.61 -0.27 0.93 0.00 0.00 0.00 179.25 180.30 3ek1 h GLU 105 N 0.48 0.37 -0.56 0.00 5.08 -1.23 -1.26 114.58 117.46 3ek1 h GLU 105 Ca 0.06 -0.26 0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3ek1 h GLU 105 Cb 0.78 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 3ek1 h GLU 105 CO 0.06 0.87 0.12 0.00 -1.00 0.00 0.00 179.01 179.07 3ek1 h ALA 106 N 0.50 0.65 -0.52 3.43 0.00 -0.51 0.15 119.26 122.96 3ek1 h ALA 106 Ca -0.00 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 106 Cb 0.88 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3ek1 h ALA 106 CO 0.06 -0.30 -0.02 -0.09 0.00 0.00 0.00 179.25 178.90 3ek1 h ARG 107 N 0.26 0.93 -0.69 0.00 2.43 -0.79 -0.53 114.38 115.99 3ek1 h ARG 107 Ca 0.29 -0.31 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3ek1 h ARG 107 Cb 0.41 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3ek1 h ARG 107 CO -0.36 0.96 0.39 0.78 -1.51 0.00 0.00 179.97 180.23 3ek1 h GLY 108 N 0.79 1.01 1.03 2.80 0.00 -0.71 -1.99 103.07 106.00 3ek1 h GLY 108 Ca 0.14 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3ek1 h GLY 108 CO 0.03 0.18 0.04 -2.09 0.00 0.00 0.00 176.54 174.70 3ek1 h GLU 109 N 0.73 0.94 -0.56 4.80 4.81 0.05 -1.47 114.58 123.88 3ek1 h GLU 109 Ca 0.30 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3ek1 h GLU 109 Cb 0.17 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 3ek1 h GLU 109 CO -0.17 0.93 0.37 0.28 -0.73 0.00 0.00 179.01 179.69 3ek1 h VAL 110 N 0.82 1.13 -0.69 0.32 2.07 -0.74 0.90 116.25 120.05 3ek1 h VAL 110 Ca 0.16 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3ek1 h VAL 110 Cb 0.48 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3ek1 h VAL 110 CO 0.02 0.14 0.14 -0.07 0.02 0.00 0.00 177.57 177.81 3ek1 h LEU 111 N 0.75 1.08 0.14 2.57 3.38 -1.28 0.13 115.31 122.09 3ek1 h LEU 111 Ca 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3ek1 h LEU 111 Cb -0.07 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.40 3ek1 h LEU 111 CO -0.05 1.05 -0.07 0.22 0.09 0.00 0.00 178.44 179.68 3ek1 h TYR 112 N 1.06 -0.19 -0.61 1.13 3.20 -0.66 -1.77 116.97 119.14 3ek1 h TYR 112 Ca 0.21 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.21 3ek1 h TYR 112 Cb 0.42 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 38.64 3ek1 h TYR 112 CO 0.03 -0.12 -0.10 0.00 -1.64 0.00 0.00 178.16 176.33 3ek1 h ALA 113 N 0.66 0.47 -0.78 1.82 0.00 0.11 -2.12 119.26 119.42 3ek1 h ALA 113 Ca -0.02 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3ek1 h ALA 113 Cb 0.16 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3ek1 h ALA 113 CO 0.03 -0.42 0.43 0.00 0.00 0.00 0.00 179.25 179.29 3ek1 h ALA 114 N 1.59 1.29 -0.45 0.00 0.00 -0.60 -2.80 119.26 118.30 3ek1 h ALA 114 Ca 0.30 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.19 3ek1 h ALA 114 Cb 0.48 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 114 CO -0.59 0.58 0.31 0.66 0.00 0.00 0.00 179.25 180.21 3ek1 h SER 115 N 1.09 0.21 -0.67 0.00 4.64 -0.61 0.27 113.55 118.49 3ek1 h SER 115 Ca 0.28 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.54 3ek1 h SER 115 Cb 0.02 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 3ek1 h SER 115 CO -0.05 0.13 0.19 -0.26 -0.87 0.00 0.00 176.83 175.98 3ek1 h PHE 116 N 0.24 1.10 -0.34 4.77 0.04 -1.47 -0.16 116.94 121.12 3ek1 h PHE 116 Ca 0.21 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 3ek1 h PHE 116 Cb 0.52 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3ek1 h PHE 116 CO -0.00 0.89 -0.03 0.82 -0.60 0.00 0.00 178.31 179.39 3ek1 h ILE 117 N 1.02 1.27 0.04 -0.55 2.04 -1.09 -0.30 117.51 119.94 3ek1 h ILE 117 Ca 0.22 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.06 3ek1 h ILE 117 Cb 0.32 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3ek1 h ILE 117 CO -0.00 0.34 -0.10 -0.08 0.00 0.00 0.00 178.15 178.31 3ek1 h GLU 118 N 0.42 -0.18 -0.23 2.37 4.81 -1.18 -0.11 114.58 120.47 3ek1 h GLU 118 Ca 0.09 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3ek1 h GLU 118 Cb 0.50 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3ek1 h GLU 118 CO 0.02 -0.12 0.07 2.35 -0.73 0.00 0.00 179.01 180.61 3ek1 h TRP 119 N -0.18 0.13 0.00 0.92 2.91 -0.95 -2.31 115.95 116.46 3ek1 h TRP 119 Ca 0.02 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.00 3ek1 h TRP 119 Cb 0.21 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 3ek1 h TRP 119 CO -0.14 0.06 -0.27 0.74 -1.03 0.00 0.00 178.44 177.79 3ek1 h PHE 120 N 0.17 0.00 -0.82 2.65 0.04 -0.98 -0.23 116.94 117.77 3ek1 h PHE 120 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3ek1 h PHE 120 Cb 0.08 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 3ek1 h PHE 120 CO -0.13 0.27 0.48 0.00 -0.60 0.00 0.00 178.31 178.33 3ek1 h ALA 121 N 1.73 1.30 -0.14 2.45 0.00 -0.47 0.12 119.26 124.24 3ek1 h ALA 121 Ca -0.00 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3ek1 h ALA 121 Cb 0.78 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ek1 h ALA 121 CO 0.04 0.59 -0.51 0.93 0.00 0.00 0.00 179.25 180.30 3ek1 h GLU 122 N 1.13 0.59 -0.80 0.00 5.08 -1.05 -3.09 114.58 116.44 3ek1 h GLU 122 Ca 0.29 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3ek1 h GLU 122 Cb -0.02 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 3ek1 h GLU 122 CO -0.05 1.07 0.52 0.93 -1.00 0.00 0.00 179.01 180.48 3ek1 h GLU 123 N 0.23 1.06 -0.98 2.33 4.39 -0.73 -2.99 114.58 117.89 3ek1 h GLU 123 Ca -0.02 -0.07 0.31 0.00 0.34 0.00 0.00 59.36 59.91 3ek1 h GLU 123 Cb 1.14 -0.24 -0.15 0.00 -0.10 0.00 0.00 28.75 29.40 3ek1 h GLU 123 CO 0.11 0.72 0.49 0.00 -1.16 0.00 0.00 179.01 179.17 3ek1 h ALA 124 N 1.48 1.81 -0.04 3.43 0.00 -0.68 0.41 119.26 125.68 3ek1 h ALA 124 Ca 0.29 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3ek1 h ALA 124 Cb -0.10 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3ek1 h ALA 124 CO -0.06 -0.56 0.00 1.63 0.00 0.00 0.00 179.25 180.26 3ek1 n LYS 125 N -5.10 1.46 -0.48 0.00 5.02 -1.13 -3.33 118.16 114.61 3ek1 n LYS 125 Ca 0.30 -0.67 0.06 0.00 -2.02 0.00 0.00 58.31 55.98 3ek1 n LYS 125 Cb 0.93 -1.45 0.19 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.17 1.55 -2.56 1.97 1.74 0.14 -4.92 116.66 114.42 3ek1 n ARG 126 Ca 0.19 -3.11 -0.41 0.00 -0.77 0.00 0.00 57.85 53.75 3ek1 n ARG 126 Cb 0.27 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 -3.14 3.93 0.01 1.55 1.01 -1.15 -4.97 120.40 117.63 3ek1 s VAL 127 Ca 0.37 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3ek1 s VAL 127 Cb 0.35 -5.06 -0.05 0.00 0.00 0.00 0.00 36.38 31.61 3ek1 s VAL 127 CO -0.04 -1.94 0.61 -0.31 0.00 0.00 0.00 175.10 173.43 3ek1 s TYR 128 N 4.96 3.70 0.00 5.22 2.02 -1.26 -4.90 117.35 127.09 3ek1 s TYR 128 Ca 0.47 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 3ek1 s TYR 128 Cb 0.00 -2.63 0.00 0.00 -0.40 0.00 0.00 41.96 38.94 3ek1 s TYR 128 CO -0.09 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 3ek1 n GLY 129 N 2.38 1.68 3.23 0.71 0.00 -1.26 -4.84 105.19 107.09 3ek1 n GLY 129 Ca -0.07 -2.04 -0.15 0.00 0.00 0.00 0.00 46.02 43.76 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 1.78 -0.04 1.61 1.11 -0.15 -4.96 116.67 115.01 3ek1 s ASP 130 Ca 0.00 -0.93 0.06 0.00 0.18 0.00 0.00 52.55 51.86 3ek1 s ASP 130 Cb 0.00 -0.02 -0.02 0.00 1.07 0.00 0.00 42.92 43.95 3ek1 s ASP 130 CO 0.00 -0.27 -0.21 0.42 1.18 0.00 0.00 175.17 176.29 3ek1 s THR 131 N -2.89 2.46 -0.09 -1.27 -4.23 -1.26 -1.00 115.64 107.36 3ek1 s THR 131 Ca 0.13 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.72 3ek1 s THR 131 Cb -0.00 -1.91 0.01 0.00 1.34 0.00 0.00 72.50 71.93 3ek1 s THR 131 CO 0.01 0.58 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.88 3ek1 s ILE 132 N -0.50 1.52 0.15 2.99 1.01 -0.89 -5.01 121.20 120.47 3ek1 s ILE 132 Ca 0.06 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 59.69 3ek1 s ILE 132 Cb -0.11 -1.36 -0.15 0.00 0.01 0.00 0.00 42.46 40.85 3ek1 s ILE 132 CO 0.01 0.44 1.50 -2.65 0.00 0.00 0.00 174.94 174.24 3ek1 n PRO 133 N 3.89 1.88 -2.65 2.79 -0.02 -1.26 -3.84 135.00 135.78 3ek1 n PRO 133 Ca -0.20 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3ek1 n PRO 133 Cb 0.52 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3ek1 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 s ALA 134 N 0.70 3.23 0.63 3.55 0.00 -1.26 -4.94 121.76 123.67 3ek1 s ALA 134 Ca 0.79 0.62 0.39 0.00 0.00 0.00 0.00 51.96 53.76 3ek1 s ALA 134 Cb -0.75 -3.34 2.20 0.00 0.00 0.00 0.00 23.12 21.23 3ek1 s ALA 134 CO 0.41 -0.22 2.33 -1.35 0.00 0.00 0.00 175.76 176.93 3ek1 h PRO 135 N 6.42 0.00 -6.61 0.00 0.11 -1.94 -3.43 132.00 126.56 3ek1 h PRO 135 Ca -0.42 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.00 3ek1 h PRO 135 Cb 1.22 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 3ek1 h PRO 135 CO 0.75 0.00 -0.84 -0.65 -0.21 0.00 0.00 178.00 177.05 3ek1 s GLN 136 N -4.33 2.03 0.61 1.05 -0.21 -1.26 -5.12 119.66 112.44 3ek1 s GLN 136 Ca -0.05 -0.99 -0.18 0.00 0.02 0.00 0.00 55.36 54.17 3ek1 s GLN 136 Cb 0.14 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.01 3ek1 s GLN 136 CO 0.46 0.54 1.18 -0.80 -2.12 0.00 0.00 175.29 174.55 3ek1 s ASN 137 N -1.15 5.13 0.00 5.90 0.01 -1.26 -3.32 114.94 120.26 3ek1 s ASN 137 Ca 0.12 2.28 0.00 0.00 -0.71 0.00 0.00 52.86 54.55 3ek1 s ASN 137 Cb -0.10 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3ek1 s ASN 137 CO 0.02 -1.62 0.00 0.61 -1.51 0.00 0.00 177.10 174.60 3ek1 n GLY 138 N 0.26 0.52 3.24 0.66 0.00 -1.26 -5.02 105.19 103.58 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 -0.02 1.02 -0.03 1.61 -0.21 -1.21 -0.43 119.66 120.39 3ek1 s GLN 139 Ca 0.00 -1.24 0.01 0.00 0.02 0.00 0.00 55.36 54.15 3ek1 s GLN 139 Cb 0.00 -0.90 0.01 0.00 1.00 0.00 0.00 33.01 33.13 3ek1 s GLN 139 CO 0.00 0.17 -0.05 1.03 -2.12 0.00 0.00 175.29 174.32 3ek1 s ARG 140 N -2.69 0.72 -0.12 2.91 1.81 0.08 -4.63 118.95 117.03 3ek1 s ARG 140 Ca 0.09 -0.14 -0.02 0.00 -1.72 0.00 0.00 55.73 53.94 3ek1 s ARG 140 Cb -0.05 -0.73 -0.02 0.00 -0.45 0.00 0.00 34.95 33.70 3ek1 s ARG 140 CO 0.03 -0.01 -0.07 -0.51 -0.68 0.00 0.00 175.30 174.06 3ek1 s LEU 141 N 0.57 3.10 0.06 2.53 1.43 -1.25 -1.14 118.68 123.97 3ek1 s LEU 141 Ca -0.07 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3ek1 s LEU 141 Cb -0.11 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3ek1 s LEU 141 CO 0.00 0.22 -0.11 -0.89 0.23 0.00 0.00 176.35 175.81 3ek1 s THR 142 N 0.03 0.81 -0.11 5.49 2.01 -0.14 -2.09 115.64 121.64 3ek1 s THR 142 Ca -0.01 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.79 3ek1 s THR 142 Cb -0.14 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.54 3ek1 s THR 142 CO 0.03 -0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.81 3ek1 s VAL 143 N -1.41 1.37 0.28 3.82 1.01 -0.17 -0.19 120.40 125.12 3ek1 s VAL 143 Ca -0.06 -0.55 0.12 0.00 0.00 0.00 0.00 61.98 61.49 3ek1 s VAL 143 Cb -0.10 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3ek1 s VAL 143 CO 0.01 0.42 -0.18 0.27 0.00 0.00 0.00 175.10 175.62 3ek1 s ILE 144 N 1.16 2.53 -0.09 2.22 -4.36 -0.22 -0.98 121.20 121.47 3ek1 s ILE 144 Ca -0.04 -2.35 0.02 0.00 -0.26 0.00 0.00 60.65 58.02 3ek1 s ILE 144 Cb -0.14 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.21 3ek1 s ILE 144 CO -0.04 -0.38 -0.15 -0.13 0.24 0.00 0.00 174.94 174.49 3ek1 s ARG 145 N -3.53 2.05 0.13 0.37 0.52 -1.26 -0.64 118.95 116.59 3ek1 s ARG 145 Ca 0.30 -0.52 0.06 0.00 -0.52 0.00 0.00 55.73 55.05 3ek1 s ARG 145 Cb -0.04 -1.69 -0.04 0.00 0.52 0.00 0.00 34.95 33.69 3ek1 s ARG 145 CO 0.16 0.01 -0.13 -0.65 0.02 0.00 0.00 175.30 174.71 3ek1 s GLN 146 N 0.76 1.05 0.52 3.54 -0.21 -0.85 -4.92 119.66 119.55 3ek1 s GLN 146 Ca -0.12 -1.31 -0.21 0.00 0.02 0.00 0.00 55.36 53.74 3ek1 s GLN 146 Cb -0.16 -0.84 -0.06 0.00 1.00 0.00 0.00 33.01 32.96 3ek1 s GLN 146 CO 0.02 0.15 1.21 -1.25 -2.12 0.00 0.00 175.29 173.30 3ek1 s PRO 147 N -2.99 3.36 0.26 2.91 0.04 -1.26 -0.10 135.00 137.22 3ek1 s PRO 147 Ca 0.12 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.03 3ek1 s PRO 147 Cb -0.03 -2.19 0.33 0.00 0.04 0.00 0.00 34.50 32.65 3ek1 s PRO 147 CO 0.03 -0.90 1.67 0.28 0.04 0.00 0.00 177.00 178.12 3ek1 h VAL 148 N 1.43 1.28 0.00 -0.36 2.07 -1.58 -3.43 116.25 115.66 3ek1 h VAL 148 Ca -0.50 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3ek1 h VAL 148 Cb 1.27 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3ek1 h VAL 148 CO 0.58 0.44 0.00 0.61 0.02 0.00 0.00 177.57 179.21 3ek1 n GLY 149 N -0.26 0.39 3.71 2.17 0.00 -1.26 -4.88 105.19 105.06 3ek1 n GLY 149 Ca -0.01 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.72 3.88 0.12 1.61 1.01 -1.26 -2.51 120.40 122.52 3ek1 s VAL 150 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.34 3ek1 s VAL 150 Cb 0.00 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3ek1 s VAL 150 CO 0.00 0.07 -0.09 0.42 0.00 0.00 0.00 175.10 175.50 3ek1 s THR 151 N 1.42 0.99 0.00 3.92 -4.23 -0.64 -0.29 115.64 116.82 3ek1 s THR 151 Ca 0.60 -1.88 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 3ek1 s THR 151 Cb -0.30 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 3ek1 s THR 151 CO 0.28 -0.70 -0.12 0.00 -0.54 0.00 0.00 174.62 173.53 3ek1 s ALA 152 N -3.07 1.02 -0.02 3.99 0.00 -0.47 -1.46 121.76 121.75 3ek1 s ALA 152 Ca 0.12 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.54 3ek1 s ALA 152 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 3ek1 s ALA 152 CO -0.01 0.23 -0.23 0.00 0.00 0.00 0.00 175.76 175.75 3ek1 s ALA 153 N -0.46 1.95 -0.12 0.00 0.00 0.85 -0.53 121.76 123.45 3ek1 s ALA 153 Ca 0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 51.00 3ek1 s ALA 153 Cb -0.06 -0.52 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3ek1 s ALA 153 CO 0.00 0.46 -0.08 0.42 0.00 0.00 0.00 175.76 176.56 3ek1 s ILE 154 N -0.46 1.10 0.08 0.00 1.01 -0.24 -0.92 121.20 121.77 3ek1 s ILE 154 Ca 0.07 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.45 3ek1 s ILE 154 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 3ek1 s ILE 154 CO -0.00 0.36 -0.22 0.42 0.00 0.00 0.00 174.94 175.50 3ek1 s THR 155 N 1.68 1.79 0.83 2.92 -4.23 -0.94 -1.94 115.64 115.74 3ek1 s THR 155 Ca 0.05 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 3ek1 s THR 155 Cb -0.13 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.29 3ek1 s THR 155 CO -0.08 0.06 1.14 -2.16 -0.54 0.00 0.00 174.62 173.04 3ek1 s PRO 156 N -1.66 1.12 0.11 3.99 0.04 -1.23 -2.12 135.00 135.25 3ek1 s PRO 156 Ca 0.08 -1.01 0.24 0.00 0.04 0.00 0.00 61.00 60.35 3ek1 s PRO 156 Cb -0.10 -2.16 0.27 0.00 0.04 0.00 0.00 34.50 32.56 3ek1 s PRO 156 CO 0.04 -1.92 1.25 0.11 0.04 0.00 0.00 177.00 176.52 3ek1 h TRP 157 N -1.00 0.00 0.00 0.56 5.08 -1.93 -3.40 115.95 115.26 3ek1 h TRP 157 Ca -0.38 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.43 3ek1 h TRP 157 Cb 1.24 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.38 3ek1 h TRP 157 CO -0.69 0.00 -0.78 -2.95 -1.28 0.00 0.00 178.44 172.73 3ek1 h ASN 158 N 0.00 0.00 -2.72 0.11 -1.07 -1.96 -3.32 115.58 106.62 3ek1 h ASN 158 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 56.30 55.76 3ek1 h ASN 158 Cb 0.76 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 36.60 3ek1 h ASN 158 CO 0.00 0.78 -0.73 0.49 0.07 0.00 0.00 177.43 178.04 3ek1 n PHE 159 N -3.54 1.75 0.31 4.14 3.72 -1.26 -4.99 117.46 117.58 3ek1 n PHE 159 Ca -0.00 -3.94 0.10 0.00 -0.05 0.00 0.00 57.45 53.56 3ek1 n PHE 159 Cb 0.77 -0.32 0.47 0.00 -0.94 0.00 0.00 39.48 39.46 3ek1 n PHE 159 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3ek1 n PRO 160 N 2.12 0.14 -0.12 -1.08 -0.02 -1.25 -2.44 135.00 132.36 3ek1 n PRO 160 Ca 0.24 0.47 -0.25 0.00 -2.02 0.00 0.00 63.50 61.95 3ek1 n PRO 160 Cb 0.41 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.97 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 n ALA 161 N -1.73 1.42 -0.25 3.55 0.00 -1.26 -4.23 120.51 118.01 3ek1 n ALA 161 Ca 0.01 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.44 3ek1 n ALA 161 Cb 0.15 0.18 0.04 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.87 0.91 -0.34 0.00 0.00 -1.80 -2.00 119.26 115.16 3ek1 h ALA 162 Ca -0.57 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.17 3ek1 h ALA 162 Cb 1.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3ek1 h ALA 162 CO -0.34 0.57 0.23 0.52 0.00 0.00 0.00 179.25 180.23 3ek1 h MET 163 N 1.01 0.29 -0.06 0.00 2.86 -1.78 0.11 114.93 117.36 3ek1 h MET 163 Ca 0.23 -0.02 -0.15 0.00 -2.06 0.00 0.00 59.70 57.70 3ek1 h MET 163 Cb 0.28 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.88 3ek1 h MET 163 CO -0.01 0.19 -0.55 0.82 1.06 0.00 0.00 176.91 178.42 3ek1 h ILE 164 N 0.29 1.39 -0.04 -1.22 2.04 -1.63 -3.26 117.51 115.08 3ek1 h ILE 164 Ca 0.14 -1.93 -0.13 0.00 1.00 0.00 0.00 64.86 63.94 3ek1 h ILE 164 Cb 0.20 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 3ek1 h ILE 164 CO -0.03 0.57 -0.59 0.71 0.00 0.00 0.00 178.15 178.81 3ek1 h THR 165 N 0.03 1.40 0.00 -0.27 1.35 -0.98 -0.28 112.91 114.15 3ek1 h THR 165 Ca -0.05 -1.97 -0.00 0.00 -0.55 0.00 0.00 66.41 63.83 3ek1 h THR 165 Cb 1.22 2.02 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3ek1 h THR 165 CO 0.11 0.57 -0.02 0.03 -0.25 0.00 0.00 175.52 175.97 3ek1 h ARG 166 N 0.10 0.00 0.00 4.72 3.08 -0.88 -1.17 114.38 120.23 3ek1 h ARG 166 Ca -0.00 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.61 3ek1 h ARG 166 Cb 1.07 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.05 3ek1 h ARG 166 CO 0.08 0.02 -2.45 1.63 -1.07 0.00 0.00 179.97 178.19 3ek1 n LYS 167 N -3.15 0.55 -0.17 0.04 5.02 -0.95 -4.53 118.16 114.97 3ek1 n LYS 167 Ca -0.01 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.50 3ek1 n LYS 167 Cb 0.21 -1.42 0.20 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.89 1.29 0.28 7.82 0.00 -1.09 -2.72 119.26 123.96 3ek1 h ALA 168 Ca -0.65 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3ek1 h ALA 168 Cb 1.59 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ek1 h ALA 168 CO -0.39 0.53 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 3ek1 h ALA 169 N 1.40 -0.38 -0.50 0.00 0.00 -1.43 -0.75 119.26 117.59 3ek1 h ALA 169 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 169 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ek1 h ALA 169 CO -0.02 -0.62 0.01 -1.00 0.00 0.00 0.00 179.25 177.62 3ek1 h PRO 170 N -0.57 0.84 0.06 0.00 0.13 -1.77 -0.78 132.00 129.91 3ek1 h PRO 170 Ca -0.04 -0.23 0.02 0.00 -0.87 0.00 0.00 66.00 64.88 3ek1 h PRO 170 Cb 0.42 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 3ek1 h PRO 170 CO 0.06 0.83 -0.16 0.00 -0.23 0.00 0.00 178.00 178.51 3ek1 h ALA 171 N 1.23 -0.24 -0.26 -0.56 0.00 -1.43 -0.65 119.26 117.36 3ek1 h ALA 171 Ca 0.15 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 171 Cb 0.45 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3ek1 h ALA 171 CO 0.02 -0.67 -0.54 -0.07 0.00 0.00 0.00 179.25 177.99 3ek1 h LEU 172 N -0.29 0.87 -0.93 0.00 4.07 -1.01 -0.90 115.31 117.12 3ek1 h LEU 172 Ca 0.03 -0.47 0.11 0.00 0.08 0.00 0.00 57.88 57.63 3ek1 h LEU 172 Cb 0.33 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.74 3ek1 h LEU 172 CO -0.11 1.24 0.56 0.00 -1.08 0.00 0.00 178.44 179.06 3ek1 h ALA 173 N 0.77 1.36 0.00 1.53 0.00 -1.04 -0.65 119.26 121.23 3ek1 h ALA 173 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 173 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3ek1 h ALA 173 CO 0.12 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3ek1 h ALA 174 N 1.50 1.00 0.00 0.00 0.00 -0.62 -3.43 119.26 117.70 3ek1 h ALA 174 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ek1 h ALA 174 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3ek1 h ALA 174 CO -0.25 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.41 3ek1 n GLY 175 N 0.20 0.95 3.90 0.00 0.00 -0.25 -4.06 105.19 105.94 3ek1 n GLY 175 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.20 4.44 -0.08 0.00 -4.23 -1.04 -4.09 115.64 107.44 3ek1 s THR 177 Ca 0.57 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 3ek1 s THR 177 Cb -0.11 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.31 3ek1 s THR 177 CO 0.48 -0.32 0.19 -0.32 -0.54 0.00 0.00 174.62 174.12 3ek1 s MET 178 N -3.90 0.19 -0.18 3.99 0.00 -0.35 -1.62 119.30 117.43 3ek1 s MET 178 Ca 0.35 0.36 -0.05 0.00 0.00 0.00 0.00 55.69 56.35 3ek1 s MET 178 Cb -0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 34.83 34.70 3ek1 s MET 178 CO 0.26 -0.10 -0.01 0.42 0.00 0.00 0.00 175.02 175.59 3ek1 s ILE 179 N 0.66 3.96 -0.15 10.11 1.01 -0.54 -1.88 121.20 134.39 3ek1 s ILE 179 Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 3ek1 s ILE 179 Cb -0.06 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 3ek1 s ILE 179 CO -0.04 0.45 -0.14 -0.69 0.00 0.00 0.00 174.94 174.53 3ek1 s VAL 180 N 0.75 2.89 -0.28 2.92 1.01 0.00 -0.11 120.40 127.58 3ek1 s VAL 180 Ca -0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3ek1 s VAL 180 Cb -0.14 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.03 3ek1 s VAL 180 CO 0.02 0.51 0.03 -0.60 0.00 0.00 0.00 175.10 175.07 3ek1 s ARG 181 N 0.62 2.99 0.56 2.72 3.52 -0.09 -1.12 118.95 128.15 3ek1 s ARG 181 Ca -0.08 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 54.63 3ek1 s ARG 181 Cb -0.16 -3.24 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 3ek1 s ARG 181 CO 0.03 -0.43 0.79 -1.25 -0.81 0.00 0.00 175.30 173.63 3ek1 s PRO 182 N 1.43 2.48 0.34 5.12 0.04 -1.26 -2.21 135.00 140.95 3ek1 s PRO 182 Ca 0.02 -0.80 -0.29 0.00 0.04 0.00 0.00 61.00 59.97 3ek1 s PRO 182 Cb -0.17 -2.47 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 3ek1 s PRO 182 CO 0.00 -0.77 1.34 0.00 0.04 0.00 0.00 177.00 177.61 3ek1 s ALA 183 N -2.80 3.51 0.53 8.56 0.00 -0.90 -4.86 121.76 125.81 3ek1 s ALA 183 Ca 0.58 1.31 0.20 0.00 0.00 0.00 0.00 51.96 54.06 3ek1 s ALA 183 Cb -0.10 -3.50 1.36 0.00 0.00 0.00 0.00 23.12 20.88 3ek1 s ALA 183 CO 0.39 -0.71 2.10 -0.44 0.00 0.00 0.00 175.76 177.10 3ek1 h ASP 184 N 3.31 0.00 1.05 0.00 3.32 -1.90 -1.73 116.42 120.46 3ek1 h ASP 184 Ca -0.49 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 3ek1 h ASP 184 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3ek1 h ASP 184 CO 0.65 0.00 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.79 3ek1 h LEU 185 N 0.00 0.00 -5.76 1.55 3.38 -1.95 -3.39 115.31 109.14 3ek1 h LEU 185 Ca 0.09 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.62 3ek1 h LEU 185 Cb 0.37 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.78 3ek1 h LEU 185 CO -0.00 0.31 -1.00 0.35 0.09 0.00 0.00 178.44 178.19 3ek1 n THR 186 N -3.38 -0.24 0.31 0.22 -2.24 -0.67 -4.73 114.28 103.56 3ek1 n THR 186 Ca 0.01 -3.73 0.12 0.00 -2.27 0.00 0.00 64.05 58.18 3ek1 n THR 186 Cb 0.51 -0.18 0.11 0.00 -2.10 0.00 0.00 70.33 68.67 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 3.27 0.00 -0.37 -0.78 0.13 -1.72 -3.39 132.00 129.14 3ek1 h PRO 187 Ca 0.04 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 3ek1 h PRO 187 Cb 0.98 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 3ek1 h PRO 187 CO 0.42 0.00 -0.25 -0.07 -0.23 0.00 0.00 178.00 177.87 3ek1 h LEU 188 N 0.00 0.77 -0.57 1.56 3.38 -1.92 -1.71 115.31 116.83 3ek1 h LEU 188 Ca 0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3ek1 h LEU 188 Cb 0.90 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3ek1 h LEU 188 CO 0.00 0.99 0.32 0.74 0.09 0.00 0.00 178.44 180.58 3ek1 h THR 189 N 0.66 1.18 -0.38 0.22 2.02 -1.88 -0.52 112.91 114.21 3ek1 h THR 189 Ca 0.09 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3ek1 h THR 189 Cb 0.76 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3ek1 h THR 189 CO 0.06 0.20 0.15 0.00 0.37 0.00 0.00 175.52 176.30 3ek1 h ALA 190 N 1.15 0.49 -0.87 6.16 0.00 -1.67 -1.66 119.26 122.86 3ek1 h ALA 190 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 190 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3ek1 h ALA 190 CO -0.03 0.09 0.47 -0.07 0.00 0.00 0.00 179.25 179.71 3ek1 h LEU 191 N 0.46 1.10 -0.92 0.00 3.38 -1.00 -1.39 115.31 116.93 3ek1 h LEU 191 Ca 0.12 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.05 3ek1 h LEU 191 Cb 0.19 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 3ek1 h LEU 191 CO -0.01 0.89 0.59 0.00 0.09 0.00 0.00 178.44 179.99 3ek1 h ALA 192 N 1.25 1.26 -0.46 1.53 0.00 -0.80 -0.34 119.26 121.71 3ek1 h ALA 192 Ca 0.31 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3ek1 h ALA 192 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ek1 h ALA 192 CO -0.05 0.37 0.04 -0.07 0.00 0.00 0.00 179.25 179.54 3ek1 h LEU 193 N 1.08 0.68 -0.80 0.00 3.38 -0.64 -2.69 115.31 116.32 3ek1 h LEU 193 Ca 0.39 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3ek1 h LEU 193 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3ek1 h LEU 193 CO -0.16 0.73 0.07 1.23 0.09 0.00 0.00 178.44 180.39 3ek1 h GLY 194 N 0.94 1.04 0.76 0.83 0.00 -0.12 -0.45 103.07 106.07 3ek1 h GLY 194 Ca 0.14 -0.69 0.04 0.00 0.00 0.00 0.00 47.33 46.82 3ek1 h GLY 194 CO 0.01 0.64 0.22 -2.08 0.00 0.00 0.00 176.54 175.33 3ek1 h VAL 195 N 0.90 0.96 -0.06 4.60 2.07 -0.81 -1.64 116.25 122.28 3ek1 h VAL 195 Ca 0.18 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 3ek1 h VAL 195 Cb 0.44 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3ek1 h VAL 195 CO 0.01 0.08 -0.56 -0.07 0.02 0.00 0.00 177.57 177.05 3ek1 h LEU 196 N 0.44 0.20 -0.65 2.57 3.38 -1.29 -1.87 115.31 118.09 3ek1 h LEU 196 Ca 0.19 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.11 3ek1 h LEU 196 Cb 0.11 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3ek1 h LEU 196 CO -0.14 0.72 0.36 0.00 0.09 0.00 0.00 178.44 179.47 3ek1 h ALA 197 N 1.28 0.87 0.12 1.53 0.00 -0.66 0.38 119.26 122.78 3ek1 h ALA 197 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ek1 h ALA 197 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3ek1 h ALA 197 CO 0.08 0.04 -0.06 0.93 0.00 0.00 0.00 179.25 180.25 3ek1 h GLU 198 N 0.67 -0.16 -0.54 0.00 5.08 -1.15 -1.19 114.58 117.30 3ek1 h GLU 198 Ca 0.29 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 3ek1 h GLU 198 Cb 0.17 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3ek1 h GLU 198 CO -0.17 0.13 0.37 -0.22 -1.00 0.00 0.00 179.01 178.12 3ek1 h LYS 199 N -0.44 0.23 0.00 2.33 3.64 -1.19 -0.57 116.57 120.56 3ek1 h LYS 199 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ek1 h LYS 199 Cb 0.36 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3ek1 h LYS 199 CO 0.03 0.15 0.00 0.00 -2.27 0.00 0.00 179.45 177.36 3ek1 n ALA 200 N -2.56 1.92 -0.15 5.00 0.00 0.11 -4.89 120.51 119.93 3ek1 n ALA 200 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ek1 n ALA 200 Cb 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3ek1 n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 201 N 0.56 1.01 3.66 0.00 0.00 -0.22 -4.77 105.19 105.43 3ek1 n GLY 201 Ca 0.04 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 4.09 0.68 -0.61 1.01 -0.49 -4.96 121.20 118.92 3ek1 s ILE 202 Ca 0.00 1.33 -0.13 0.00 0.00 0.00 0.00 60.65 61.85 3ek1 s ILE 202 Cb 0.00 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.62 3ek1 s ILE 202 CO 0.00 -0.10 1.08 -2.84 0.00 0.00 0.00 174.94 173.08 3ek1 s PRO 203 N 3.47 2.78 -0.09 2.79 0.02 -1.26 -4.58 135.00 138.13 3ek1 s PRO 203 Ca 0.59 1.21 -0.39 0.00 0.02 0.00 0.00 61.00 62.43 3ek1 s PRO 203 Cb -0.25 -1.96 -0.17 0.00 0.02 0.00 0.00 34.50 32.14 3ek1 s PRO 203 CO 0.19 -1.25 1.46 0.00 -0.33 0.00 0.00 177.00 177.08 3ek1 n ALA 204 N -2.79 -1.06 0.00 -1.55 0.00 -1.26 -0.96 120.51 112.90 3ek1 n ALA 204 Ca 0.09 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3ek1 n ALA 204 Cb 0.53 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 3.08 2.29 0.12 0.00 0.00 -1.26 -4.72 105.19 104.69 3ek1 n GLY 205 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 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 1.44 -3.59 1.61 2.07 -1.36 -3.36 116.25 113.07 3ek1 h VAL 206 Ca 0.00 -1.73 -0.68 0.00 0.82 0.00 0.00 66.70 65.11 3ek1 h VAL 206 Cb 0.00 2.39 -0.32 0.00 -1.52 0.00 0.00 31.29 31.83 3ek1 h VAL 206 CO 0.00 0.49 -0.88 -0.22 0.02 0.00 0.00 177.57 176.98 3ek1 s LEU 207 N -8.70 2.06 0.02 2.57 2.96 -1.26 -1.21 118.68 115.12 3ek1 s LEU 207 Ca -0.15 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3ek1 s LEU 207 Cb 0.03 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 3ek1 s LEU 207 CO 0.76 0.18 -0.05 -1.10 -1.32 0.00 0.00 176.35 174.83 3ek1 s GLN 208 N 0.17 0.36 -0.14 1.98 -0.21 -0.79 -4.81 119.66 116.22 3ek1 s GLN 208 Ca -0.13 -0.44 -0.00 0.00 0.02 0.00 0.00 55.36 54.81 3ek1 s GLN 208 Cb -0.16 -0.18 0.03 0.00 1.00 0.00 0.00 33.01 33.69 3ek1 s GLN 208 CO 0.07 0.04 -0.08 0.42 -2.12 0.00 0.00 175.29 173.61 3ek1 s ILE 209 N -0.82 1.19 -0.06 1.08 1.01 -0.14 -0.82 121.20 122.64 3ek1 s ILE 209 Ca -0.06 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.12 3ek1 s ILE 209 Cb -0.06 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.16 3ek1 s ILE 209 CO -0.00 0.28 -0.22 0.68 0.00 0.00 0.00 174.94 175.68 3ek1 s VAL 210 N 1.62 1.85 0.16 2.92 -7.23 -0.28 -1.78 120.40 117.67 3ek1 s VAL 210 Ca 0.03 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.37 3ek1 s VAL 210 Cb -0.14 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 3ek1 s VAL 210 CO -0.08 0.52 -0.22 0.42 -0.31 0.00 0.00 175.10 175.43 3ek1 s THR 211 N 0.06 2.55 -5.00 5.32 -4.23 -1.26 -4.04 115.64 109.03 3ek1 s THR 211 Ca -0.08 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 3ek1 s THR 211 Cb -0.14 -2.19 0.00 0.00 1.34 0.00 0.00 72.50 71.50 3ek1 s THR 211 CO 0.05 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3ek1 n GLY 212 N 0.50 0.14 3.74 3.99 0.00 -1.24 -1.07 105.19 111.26 3ek1 n GLY 212 Ca -0.14 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 4.47 0.11 1.61 1.02 -1.26 -4.87 119.74 118.82 3ek1 s LYS 213 Ca 0.00 1.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.74 3ek1 s LYS 213 Cb 0.00 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3ek1 s LYS 213 CO 0.00 -0.12 1.63 0.00 -0.92 0.00 0.00 175.35 175.93 3ek1 h ALA 214 N 5.23 0.43 0.42 5.17 0.00 -1.98 -1.26 119.26 127.27 3ek1 h ALA 214 Ca -0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.29 3ek1 h ALA 214 Cb 1.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ek1 h ALA 214 CO 0.75 0.07 -0.20 -0.09 0.00 0.00 0.00 179.25 179.78 3ek1 h ARG 215 N 0.38 -0.55 -0.03 0.00 2.43 -1.98 0.13 114.38 114.76 3ek1 h ARG 215 Ca 0.11 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3ek1 h ARG 215 Cb 0.25 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3ek1 h ARG 215 CO -0.00 -0.27 0.02 0.93 -1.51 0.00 0.00 179.97 179.13 3ek1 h GLU 216 N -0.75 0.04 -0.29 0.20 3.07 -1.96 0.23 114.58 115.13 3ek1 h GLU 216 Ca -0.06 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.77 3ek1 h GLU 216 Cb 0.53 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3ek1 h GLU 216 CO 0.10 0.08 0.07 0.82 -1.40 0.00 0.00 179.01 178.67 3ek1 h ILE 217 N -0.01 1.22 -0.93 3.13 2.04 -1.20 -2.17 117.51 119.59 3ek1 h ILE 217 Ca 0.01 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.16 3ek1 h ILE 217 Cb 0.05 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 3ek1 h ILE 217 CO -0.00 0.24 0.61 1.23 0.00 0.00 0.00 178.15 180.23 3ek1 h GLY 218 N 0.30 1.32 0.67 5.37 0.00 -0.59 -1.34 103.07 108.79 3ek1 h GLY 218 Ca 0.09 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 46.99 3ek1 h GLY 218 CO 0.00 0.46 0.25 0.00 0.00 0.00 0.00 176.54 177.26 3ek1 h ALA 219 N 1.35 0.68 -0.15 3.60 0.00 -0.44 -0.59 119.26 123.70 3ek1 h ALA 219 Ca 0.35 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3ek1 h ALA 219 Cb -0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ek1 h ALA 219 CO -0.08 -0.10 -0.05 1.49 0.00 0.00 0.00 179.25 180.51 3ek1 h GLU 220 N 0.49 0.30 -0.88 0.00 4.57 -0.76 -0.62 114.58 117.67 3ek1 h GLU 220 Ca 0.24 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 3ek1 h GLU 220 Cb 0.18 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.70 3ek1 h GLU 220 CO -0.18 0.59 0.57 -0.07 -1.18 0.00 0.00 179.01 178.74 3ek1 h LEU 221 N -0.01 0.88 0.00 1.64 3.38 -1.11 -0.45 115.31 119.65 3ek1 h LEU 221 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ek1 h LEU 221 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3ek1 h LEU 221 CO 0.02 0.57 -0.49 0.35 0.09 0.00 0.00 178.44 178.98 3ek1 n THR 222 N -4.48 0.33 -0.02 0.22 -2.24 -0.24 -3.89 114.28 103.95 3ek1 n THR 222 Ca 0.13 -0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.77 3ek1 n THR 222 Cb 0.19 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.10 3ek1 n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ek1 n SER 223 N -2.03 0.31 -4.67 3.42 3.41 -0.25 -4.34 113.62 109.47 3ek1 n SER 223 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 3ek1 n SER 223 Cb 0.42 1.85 -0.02 0.00 -0.26 0.00 0.00 64.21 66.20 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 -4.45 6.87 0.55 4.04 3.84 -0.21 -4.90 114.94 120.68 3ek1 s ASN 224 Ca -0.08 1.89 0.30 0.00 0.21 0.00 0.00 52.86 55.18 3ek1 s ASN 224 Cb 0.12 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.75 3ek1 s ASN 224 CO 0.85 -0.78 1.90 0.44 -2.79 0.00 0.00 177.10 176.72 3ek1 h ASP 225 N 8.43 0.00 -0.33 -4.21 5.19 -1.92 -2.29 116.42 121.29 3ek1 h ASP 225 Ca -0.32 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.99 3ek1 h ASP 225 Cb 1.14 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3ek1 h ASP 225 CO 0.95 0.00 -0.17 0.74 -3.12 0.00 0.00 179.24 177.64 3ek1 h THR 226 N 0.00 1.27 -2.89 0.35 2.02 -1.95 -3.42 112.91 108.29 3ek1 h THR 226 Ca 0.34 -1.27 -0.55 0.00 0.77 0.00 0.00 66.41 65.69 3ek1 h THR 226 Cb 1.45 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3ek1 h THR 226 CO -0.00 0.43 0.88 -0.69 0.37 0.00 0.00 175.52 176.51 3ek1 s VAL 227 N -4.69 3.98 -0.81 3.16 1.01 -0.86 -4.46 120.40 117.73 3ek1 s VAL 227 Ca -0.10 1.27 0.16 0.00 0.00 0.00 0.00 61.98 63.32 3ek1 s VAL 227 Cb 0.13 -3.82 -0.17 0.00 0.00 0.00 0.00 36.38 32.52 3ek1 s VAL 227 CO 0.83 -0.06 0.71 0.54 0.00 0.00 0.00 175.10 177.12 3ek1 n ARG 228 N 6.08 1.57 -3.77 2.72 1.74 0.60 -4.94 116.66 120.66 3ek1 n ARG 228 Ca 0.14 -0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 57.06 3ek1 n ARG 228 Cb 0.44 -1.28 -0.12 0.00 -1.02 0.00 0.00 32.46 30.49 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 -2.53 0.26 0.00 5.56 2.20 -1.23 -2.07 119.74 121.94 3ek1 s LYS 229 Ca 0.07 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.11 3ek1 s LYS 229 Cb 0.12 0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.49 3ek1 s LYS 229 CO 0.67 -0.07 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.29 3ek1 s LEU 230 N 0.41 2.82 -0.07 5.43 2.96 -0.16 -1.37 118.68 128.70 3ek1 s LEU 230 Ca -0.02 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3ek1 s LEU 230 Cb -0.04 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 45.04 3ek1 s LEU 230 CO -0.02 0.29 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.63 3ek1 s SER 231 N -1.21 1.92 0.01 3.68 0.15 0.32 -1.48 113.70 117.08 3ek1 s SER 231 Ca 0.14 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3ek1 s SER 231 Cb -0.11 -0.87 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 3ek1 s SER 231 CO 0.04 0.02 -0.08 0.12 1.20 0.00 0.00 173.24 174.55 3ek1 s PHE 232 N 0.77 0.68 -0.08 3.44 5.36 -0.57 -1.08 117.98 126.50 3ek1 s PHE 232 Ca -0.12 -0.19 -0.00 0.00 -0.96 0.00 0.00 56.93 55.66 3ek1 s PHE 232 Cb -0.16 -0.43 0.02 0.00 -0.34 0.00 0.00 43.02 42.12 3ek1 s PHE 232 CO 0.02 -0.02 -0.05 0.99 -1.46 0.00 0.00 175.22 174.71 3ek1 s THR 233 N -0.39 0.73 -3.37 0.12 2.01 -0.82 -1.18 115.64 112.73 3ek1 s THR 233 Ca 0.01 -0.15 0.00 0.00 0.31 0.00 0.00 61.69 61.86 3ek1 s THR 233 Cb -0.04 -0.78 0.00 0.00 0.01 0.00 0.00 72.50 71.69 3ek1 s THR 233 CO -0.00 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.84 3ek1 n GLY 234 N 4.65 -0.59 3.76 4.40 0.00 -0.78 -3.48 105.19 113.16 3ek1 n GLY 234 Ca -0.15 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 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 5.35 0.27 1.61 1.04 -1.26 -3.87 113.70 112.85 3ek1 s SER 235 Ca 0.00 2.33 -0.04 0.00 0.48 0.00 0.00 55.95 58.72 3ek1 s SER 235 Cb 0.00 -2.59 0.34 0.00 0.10 0.00 0.00 66.02 63.87 3ek1 s SER 235 CO 0.00 -1.48 1.89 0.74 0.98 0.00 0.00 173.24 175.37 3ek1 h THR 236 N 0.99 1.23 -0.51 2.02 2.02 -1.91 -1.91 112.91 114.85 3ek1 h THR 236 Ca -0.50 -0.59 0.03 0.00 0.77 0.00 0.00 66.41 66.11 3ek1 h THR 236 Cb 1.29 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3ek1 h THR 236 CO 0.56 0.26 0.29 1.05 0.37 0.00 0.00 175.52 178.05 3ek1 h GLU 237 N 1.10 0.56 -0.48 6.66 9.09 -1.98 -0.45 114.58 129.07 3ek1 h GLU 237 Ca 0.28 -0.03 -0.13 0.00 0.05 0.00 0.00 59.36 59.53 3ek1 h GLU 237 Cb 0.04 -0.13 -0.01 0.00 -1.65 0.00 0.00 28.75 27.00 3ek1 h GLU 237 CO -0.04 0.37 -0.19 0.28 0.05 0.00 0.00 179.01 179.47 3ek1 h VAL 238 N 0.57 1.27 -0.59 -1.06 2.07 -1.90 -2.63 116.25 113.99 3ek1 h VAL 238 Ca 0.21 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.34 3ek1 h VAL 238 Cb 0.05 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3ek1 h VAL 238 CO -0.11 0.47 0.20 1.23 0.02 0.00 0.00 177.57 179.38 3ek1 h GLY 239 N 0.90 0.94 0.91 2.17 0.00 -0.82 0.10 103.07 107.27 3ek1 h GLY 239 Ca 0.12 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.96 3ek1 h GLY 239 CO 0.06 0.48 0.40 3.21 0.00 0.00 0.00 176.54 180.68 3ek1 h ARG 240 N 0.85 0.76 -0.41 4.80 3.08 -1.01 0.10 114.38 122.57 3ek1 h ARG 240 Ca 0.20 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 3ek1 h ARG 240 Cb 0.22 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ek1 h ARG 240 CO -0.01 0.51 0.01 -0.07 -1.07 0.00 0.00 179.97 179.33 3ek1 h LEU 241 N 0.79 0.70 -0.54 3.04 3.38 -0.78 -2.74 115.31 119.16 3ek1 h LEU 241 Ca 0.25 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3ek1 h LEU 241 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3ek1 h LEU 241 CO -0.09 0.83 -0.18 -0.07 0.09 0.00 0.00 178.44 179.02 3ek1 h LEU 242 N 0.55 1.01 -0.58 1.67 3.38 -0.49 -0.88 115.31 119.96 3ek1 h LEU 242 Ca 0.12 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3ek1 h LEU 242 Cb 0.47 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3ek1 h LEU 242 CO 0.02 1.15 0.22 -0.03 0.09 0.00 0.00 178.44 179.90 3ek1 h MET 243 N 0.86 0.87 -0.87 1.13 4.05 -0.98 -0.60 114.93 119.39 3ek1 h MET 243 Ca 0.12 -0.16 0.06 0.00 -0.28 0.00 0.00 59.70 59.44 3ek1 h MET 243 Cb 0.75 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.35 3ek1 h MET 243 CO 0.06 0.75 0.55 0.00 0.23 0.00 0.00 176.91 178.50 3ek1 h ALA 244 N 1.07 1.20 0.00 0.39 0.00 -1.12 -2.57 119.26 118.23 3ek1 h ALA 244 Ca 0.19 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 244 Cb 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ek1 h ALA 244 CO -0.01 0.31 -0.28 1.96 0.00 0.00 0.00 179.25 181.23 3ek1 h GLN 245 N 1.00 0.00 0.00 0.00 4.20 -0.44 -2.46 115.11 117.41 3ek1 h GLN 245 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 3ek1 h GLN 245 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3ek1 h GLN 245 CO -0.17 0.28 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 3ek1 h ALA 247 N 2.18 0.73 -0.54 0.00 0.00 -1.12 -1.52 119.26 118.99 3ek1 h ALA 247 Ca 0.00 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 247 Cb 0.77 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3ek1 h ALA 247 CO 0.00 -0.03 0.41 -1.35 0.00 0.00 0.00 179.25 178.28 3ek1 h PRO 248 N 0.58 0.00 -0.01 0.00 0.11 -1.76 -1.28 132.00 129.63 3ek1 h PRO 248 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3ek1 h PRO 248 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 3ek1 h PRO 248 CO -0.15 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.89 3ek1 n THR 249 N -4.28 1.65 -3.75 -1.15 -2.24 -1.12 -5.02 114.28 98.38 3ek1 n THR 249 Ca 0.10 -1.89 -0.23 0.00 -2.27 0.00 0.00 64.05 59.76 3ek1 n THR 249 Cb 0.63 -0.03 0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 -1.12 -3.91 -2.43 2.28 2.08 -0.48 -4.89 119.36 110.88 3ek1 n ILE 250 Ca 0.12 -0.38 -0.39 0.00 0.56 0.00 0.00 62.75 62.66 3ek1 n ILE 250 Cb 0.54 -3.58 -0.04 0.00 -0.75 0.00 0.00 39.64 35.82 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 -6.13 4.39 0.36 0.38 1.02 -0.87 -4.99 119.74 113.91 3ek1 s LYS 251 Ca 0.16 1.77 -0.28 0.00 0.02 0.00 0.00 55.97 57.64 3ek1 s LYS 251 Cb -0.08 -2.92 -0.12 0.00 -0.52 0.00 0.00 37.83 34.19 3ek1 s LYS 251 CO 0.81 -0.00 1.36 0.54 -0.92 0.00 0.00 175.35 177.14 3ek1 n ARG 252 N 0.64 2.30 -3.75 1.68 5.12 -0.88 -4.89 116.66 116.88 3ek1 n ARG 252 Ca 0.01 0.81 -0.13 0.00 -1.93 0.00 0.00 57.85 56.62 3ek1 n ARG 252 Cb 0.46 -2.45 -0.13 0.00 -1.16 0.00 0.00 32.46 29.17 3ek1 n ARG 252 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 3ek1 s ILE 253 N -1.11 -0.03 -0.01 0.55 2.07 -1.26 -0.99 121.20 120.41 3ek1 s ILE 253 Ca 0.55 0.12 0.07 0.00 -1.41 0.00 0.00 60.65 59.98 3ek1 s ILE 253 Cb -0.53 -0.31 -0.02 0.00 0.13 0.00 0.00 42.46 41.73 3ek1 s ILE 253 CO 0.62 0.05 -0.22 -0.44 -1.91 0.00 0.00 174.94 173.04 3ek1 s SER 254 N 0.97 3.41 -0.04 4.50 0.01 -0.55 -4.77 113.70 117.23 3ek1 s SER 254 Ca -0.07 -0.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.77 3ek1 s SER 254 Cb -0.09 -0.50 0.03 0.00 0.21 0.00 0.00 66.02 65.67 3ek1 s SER 254 CO -0.06 0.31 0.09 -0.76 0.41 0.00 0.00 173.24 173.23 3ek1 s LEU 255 N -0.81 1.04 -0.19 2.44 1.43 -0.39 -1.50 118.68 120.69 3ek1 s LEU 255 Ca 0.11 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 3ek1 s LEU 255 Cb -0.10 0.17 0.04 0.00 0.03 0.00 0.00 46.19 46.33 3ek1 s LEU 255 CO 0.00 -0.12 -0.08 -1.61 0.23 0.00 0.00 176.35 174.77 3ek1 s GLU 256 N 0.94 1.82 0.00 1.70 0.41 -0.33 -0.82 118.70 122.42 3ek1 s GLU 256 Ca -0.07 -0.74 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 3ek1 s GLU 256 Cb -0.10 -2.29 0.00 0.00 -1.78 0.00 0.00 34.13 29.95 3ek1 s GLU 256 CO -0.04 -0.44 0.00 1.28 -0.49 0.00 0.00 175.26 175.58 3ek1 n LEU 257 N 4.75 0.00 -4.79 1.80 4.77 0.36 -1.86 117.00 122.03 3ek1 n LEU 257 Ca -0.14 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.53 3ek1 n LEU 257 Cb 0.47 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3ek1 n LEU 257 CO 0.19 0.00 0.70 -0.83 -1.33 0.00 0.00 177.39 176.12 3ek1 s GLY 258 N 0.00 1.67 0.41 -0.72 0.00 -1.25 -4.83 107.32 102.60 3ek1 s GLY 258 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 44.72 44.95 3ek1 s GLY 258 CO 0.00 0.51 0.18 -0.32 0.00 0.00 0.00 173.10 173.48 3ek1 s GLY 259 N -3.56 2.66 -0.46 0.20 0.00 -1.26 -4.28 107.32 100.61 3ek1 s GLY 259 Ca 0.60 -1.35 0.07 0.00 0.00 0.00 0.00 44.72 44.03 3ek1 s GLY 259 CO 0.56 -1.75 0.80 -2.01 0.00 0.00 0.00 173.10 170.69 3ek1 n ASN 260 N -1.51 -2.09 -4.68 1.64 5.15 -1.26 -4.58 115.26 107.92 3ek1 n ASN 260 Ca -0.03 -3.15 -0.42 0.00 -0.60 0.00 0.00 54.58 50.38 3ek1 n ASN 260 Cb 0.64 1.19 -0.03 0.00 -0.53 0.00 0.00 39.78 41.05 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 0.20 3.63 0.13 5.20 0.00 -1.26 -4.80 121.76 124.86 3ek1 s ALA 261 Ca 0.33 0.96 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 3ek1 s ALA 261 Cb 0.22 -3.68 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 3ek1 s ALA 261 CO -0.21 -1.15 0.67 -1.25 0.00 0.00 0.00 175.76 173.82 3ek1 s PRO 262 N 3.12 4.35 -0.21 0.00 0.04 -1.26 -0.28 135.00 140.76 3ek1 s PRO 262 Ca 0.69 0.92 0.01 0.00 0.04 0.00 0.00 61.00 62.66 3ek1 s PRO 262 Cb -0.34 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.06 3ek1 s PRO 262 CO 0.28 0.58 -0.09 0.12 0.04 0.00 0.00 177.00 177.93 3ek1 s PHE 263 N -1.19 2.42 -0.18 0.56 5.36 -0.04 -0.34 117.98 124.58 3ek1 s PHE 263 Ca 0.34 -1.63 -0.01 0.00 -0.96 0.00 0.00 56.93 54.67 3ek1 s PHE 263 Cb -0.20 -1.63 -0.00 0.00 -0.34 0.00 0.00 43.02 40.84 3ek1 s PHE 263 CO 0.22 -0.75 -0.11 0.42 -1.46 0.00 0.00 175.22 173.54 3ek1 s ILE 264 N 1.39 2.92 -0.27 3.12 1.01 0.01 0.05 121.20 129.43 3ek1 s ILE 264 Ca -0.02 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 3ek1 s ILE 264 Cb -0.17 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.06 3ek1 s ILE 264 CO -0.08 0.49 -0.03 -0.69 0.00 0.00 0.00 174.94 174.63 3ek1 s VAL 265 N 1.04 3.03 0.56 2.92 1.01 0.10 -0.03 120.40 129.03 3ek1 s VAL 265 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 3ek1 s VAL 265 Cb -0.15 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 3ek1 s VAL 265 CO -0.02 0.11 0.87 -0.36 0.00 0.00 0.00 175.10 175.69 3ek1 s PHE 266 N 1.33 3.34 0.46 5.22 0.08 -1.04 -1.08 117.98 126.29 3ek1 s PHE 266 Ca -0.01 0.69 0.16 0.00 0.12 0.00 0.00 56.93 57.89 3ek1 s PHE 266 Cb -0.17 -2.61 1.12 0.00 -0.57 0.00 0.00 43.02 40.78 3ek1 s PHE 266 CO -0.03 -0.66 2.01 -0.44 -0.10 0.00 0.00 175.22 176.00 3ek1 h ASP 267 N -0.05 0.26 -0.55 1.36 3.32 -1.89 -1.36 116.42 117.51 3ek1 h ASP 267 Ca -0.46 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.41 3ek1 h ASP 267 Cb 1.24 -0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.63 3ek1 h ASP 267 CO 0.61 0.16 0.23 -0.90 -1.72 0.00 0.00 179.24 177.62 3ek1 n ASP 268 N -4.46 3.91 -4.82 6.45 5.68 -1.26 -4.92 116.55 117.12 3ek1 n ASP 268 Ca 0.08 -2.89 -0.32 0.00 -0.50 0.00 0.00 54.79 51.16 3ek1 n ASP 268 Cb 0.37 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.67 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ek1 s ALA 269 N -2.26 2.85 -0.46 2.12 0.00 -0.52 -1.49 121.76 122.01 3ek1 s ALA 269 Ca 0.39 0.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 3ek1 s ALA 269 Cb 0.31 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.26 3ek1 s ALA 269 CO 0.09 -0.71 1.52 0.34 0.00 0.00 0.00 175.76 177.00 3ek1 s ASP 270 N -3.16 6.11 0.12 0.00 -1.08 -1.26 -4.90 116.67 112.50 3ek1 s ASP 270 Ca 0.61 0.72 -0.10 0.00 -0.52 0.00 0.00 52.55 53.26 3ek1 s ASP 270 Cb -0.14 -2.54 -0.11 0.00 -1.46 0.00 0.00 42.92 38.67 3ek1 s ASP 270 CO 0.40 -1.64 1.32 0.25 0.52 0.00 0.00 175.17 176.03 3ek1 h LEU 271 N 13.06 0.83 -0.70 -1.34 5.85 -1.94 -1.49 115.31 129.58 3ek1 h LEU 271 Ca -0.28 -0.56 -0.08 0.00 0.84 0.00 0.00 57.88 57.80 3ek1 h LEU 271 Cb 1.12 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3ek1 h LEU 271 CO 1.11 1.35 0.09 0.44 -0.34 0.00 0.00 178.44 181.09 3ek1 h ASP 272 N 0.46 1.05 -0.47 1.25 3.32 -2.00 -1.65 116.42 118.38 3ek1 h ASP 272 Ca -0.06 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 3ek1 h ASP 272 Cb 1.42 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3ek1 h ASP 272 CO 0.16 1.05 0.07 0.00 -1.72 0.00 0.00 179.24 178.80 3ek1 h ALA 273 N 1.07 1.12 -0.35 3.45 0.00 -1.91 -1.38 119.26 121.27 3ek1 h ALA 273 Ca 0.20 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3ek1 h ALA 273 Cb 0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ek1 h ALA 273 CO 0.01 0.57 -0.21 0.00 0.00 0.00 0.00 179.25 179.62 3ek1 h ALA 274 N 1.27 0.98 -0.34 0.00 0.00 -0.93 0.21 119.26 120.45 3ek1 h ALA 274 Ca 0.17 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3ek1 h ALA 274 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3ek1 h ALA 274 CO 0.01 0.60 0.09 0.28 0.00 0.00 0.00 179.25 180.23 3ek1 h VAL 275 N 0.59 1.21 -0.81 0.00 2.07 -1.00 0.34 116.25 118.65 3ek1 h VAL 275 Ca 0.09 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.93 3ek1 h VAL 275 Cb 0.69 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3ek1 h VAL 275 CO 0.05 0.24 0.52 0.44 0.02 0.00 0.00 177.57 178.85 3ek1 h ASP 276 N 0.39 0.88 -0.33 0.57 3.32 -0.90 -1.06 116.42 119.29 3ek1 h ASP 276 Ca 0.11 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 3ek1 h ASP 276 Cb 0.27 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3ek1 h ASP 276 CO -0.00 0.61 -0.04 1.23 -1.72 0.00 0.00 179.24 179.32 3ek1 h GLY 277 N 1.03 0.76 1.04 2.75 0.00 -0.69 -2.19 103.07 105.78 3ek1 h GLY 277 Ca 0.32 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 47.05 3ek1 h GLY 277 CO -0.10 0.48 0.00 0.00 0.00 0.00 0.00 176.54 176.92 3ek1 h ALA 278 N 1.30 0.73 -0.37 3.60 0.00 -0.37 -1.52 119.26 122.63 3ek1 h ALA 278 Ca 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3ek1 h ALA 278 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ek1 h ALA 278 CO 0.02 0.55 0.09 0.52 0.00 0.00 0.00 179.25 180.43 3ek1 h MET 279 N 0.83 0.60 -0.39 0.00 2.07 -0.84 0.18 114.93 117.37 3ek1 h MET 279 Ca 0.15 -0.15 -0.13 0.00 -2.07 0.00 0.00 59.70 57.51 3ek1 h MET 279 Cb 0.53 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.17 3ek1 h MET 279 CO 0.03 0.64 -0.25 0.28 1.07 0.00 0.00 176.91 178.68 3ek1 h VAL 280 N 0.46 1.28 0.00 -2.22 2.07 -1.42 -0.64 116.25 115.78 3ek1 h VAL 280 Ca 0.12 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3ek1 h VAL 280 Cb 0.31 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ek1 h VAL 280 CO 0.00 0.47 -0.12 0.77 0.02 0.00 0.00 177.57 178.72 3ek1 h SER 281 N 0.67 0.00 0.04 0.57 4.64 -1.11 -3.05 113.55 115.31 3ek1 h SER 281 Ca 0.08 -0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.06 3ek1 h SER 281 Cb 0.82 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.87 3ek1 h SER 281 CO 0.07 0.01 -1.84 1.17 -0.87 0.00 0.00 176.83 175.37 3ek1 n LYS 282 N -2.73 0.64 0.00 4.77 3.00 0.61 -1.21 118.16 123.23 3ek1 n LYS 282 Ca 0.04 0.38 0.09 0.00 -0.00 0.00 0.00 58.31 58.83 3ek1 n LYS 282 Cb 0.49 -1.67 -0.06 0.00 0.00 0.00 0.00 35.03 33.79 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 -4.00 0.00 -1.76 5.64 4.01 -0.25 -3.20 117.16 117.60 3ek1 n TYR 283 Ca -0.38 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 56.95 3ek1 n TYR 283 Cb 0.86 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.88 3ek1 n TYR 283 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3ek1 n ARG 284 N -0.88 2.61 -3.00 -0.72 0.63 -1.15 -1.39 116.66 112.75 3ek1 n ARG 284 Ca 0.05 0.92 -0.22 0.00 -0.92 0.00 0.00 57.85 57.68 3ek1 n ARG 284 Cb 0.34 -2.64 0.02 0.00 0.45 0.00 0.00 32.46 30.63 3ek1 n ARG 284 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 3ek1 n ASN 285 N 0.88 -5.29 -2.43 6.15 5.15 -1.26 -1.19 115.26 117.26 3ek1 n ASN 285 Ca 0.03 -0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 53.65 3ek1 n ASN 285 Cb 0.38 -4.32 -0.01 0.00 -0.53 0.00 0.00 39.78 35.30 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 -3.29 -0.77 -0.97 5.20 0.00 -0.49 -0.99 120.51 119.20 3ek1 n ALA 286 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3ek1 n ALA 286 Cb 0.61 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.79 0.50 2.86 0.00 0.00 -0.33 -2.15 105.19 105.27 3ek1 n GLY 287 Ca -0.14 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.97 3.09 -4.40 1.61 6.02 -0.16 -2.99 117.38 117.57 3ek1 n GLN 288 Ca 0.00 -3.73 -0.26 0.00 -0.01 0.00 0.00 57.00 52.99 3ek1 n GLN 288 Cb 0.00 -2.29 -0.13 0.00 1.02 0.00 0.00 30.24 28.84 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 -5.04 1.92 -0.89 5.09 -4.23 -1.26 -4.78 115.64 106.45 3ek1 s THR 289 Ca 0.50 -1.57 0.28 0.00 -1.18 0.00 0.00 61.69 59.73 3ek1 s THR 289 Cb 0.41 -1.71 0.26 0.00 1.34 0.00 0.00 72.50 72.79 3ek1 s THR 289 CO -0.37 0.05 1.86 0.00 -0.54 0.00 0.00 174.62 175.63 3ek1 n VAL 291 N -1.81 0.72 -1.99 0.00 0.24 -1.26 -4.31 118.33 109.92 3ek1 n VAL 291 Ca 0.06 -0.67 -0.41 0.00 -2.04 0.00 0.00 64.34 61.29 3ek1 n VAL 291 Cb 0.38 0.29 -0.01 0.00 -1.47 0.00 0.00 33.84 33.02 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 0.81 0.54 -0.08 0.00 0.00 -0.35 -4.15 120.51 117.27 3ek1 n ALA 293 Ca 0.01 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.78 3ek1 n ALA 293 Cb 0.41 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 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 4.09 1.80 -3.83 0.00 5.15 0.61 -4.74 115.26 118.34 3ek1 n ASN 294 Ca 0.19 -0.03 -0.25 0.00 -0.60 0.00 0.00 54.58 53.89 3ek1 n ASN 294 Cb 0.25 0.48 -0.17 0.00 -0.53 0.00 0.00 39.78 39.81 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 -2.36 1.06 -0.37 1.20 0.52 -0.78 -4.54 118.95 113.67 3ek1 s ARG 295 Ca -0.13 -0.14 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 3ek1 s ARG 295 Cb 0.05 -1.40 0.04 0.00 0.52 0.00 0.00 34.95 34.16 3ek1 s ARG 295 CO 0.54 -0.33 0.19 0.42 0.02 0.00 0.00 175.30 176.14 3ek1 s ILE 296 N 1.83 4.33 -0.22 1.52 1.01 -0.62 -0.86 121.20 128.18 3ek1 s ILE 296 Ca 0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 3ek1 s ILE 296 Cb -0.13 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 3ek1 s ILE 296 CO -0.07 -0.27 0.29 -0.31 0.00 0.00 0.00 174.94 174.59 3ek1 s TYR 297 N 1.50 3.34 -0.06 3.97 2.02 0.11 0.20 117.35 128.42 3ek1 s TYR 297 Ca 0.01 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 3ek1 s TYR 297 Cb -0.20 -2.42 0.01 0.00 -0.40 0.00 0.00 41.96 38.95 3ek1 s TYR 297 CO 0.05 -0.00 -0.14 0.08 -1.57 0.00 0.00 175.55 173.97 3ek1 s VAL 298 N 1.28 1.21 0.35 0.71 1.01 0.20 0.01 120.40 125.18 3ek1 s VAL 298 Ca 0.14 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.29 3ek1 s VAL 298 Cb -0.14 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.06 3ek1 s VAL 298 CO 0.07 0.37 1.26 -1.58 0.00 0.00 0.00 175.10 175.22 3ek1 s GLN 299 N 0.45 4.25 0.26 2.72 0.74 -0.24 -2.08 119.66 125.76 3ek1 s GLN 299 Ca -0.11 2.10 -0.02 0.00 0.05 0.00 0.00 55.36 57.39 3ek1 s GLN 299 Cb -0.14 -2.95 0.53 0.00 1.10 0.00 0.00 33.01 31.55 3ek1 s GLN 299 CO 0.03 -0.24 1.74 -0.09 -0.55 0.00 0.00 175.29 176.19 3ek1 h ARG 300 N 3.15 0.51 -0.61 1.67 9.65 -1.29 -0.25 114.38 127.21 3ek1 h ARG 300 Ca -0.49 -0.03 0.18 0.00 -1.10 0.00 0.00 59.98 58.54 3ek1 h ARG 300 Cb 1.23 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.67 3ek1 h ARG 300 CO 0.64 0.34 0.47 0.78 2.80 0.00 0.00 179.97 185.01 3ek1 h GLY 301 N 0.53 0.00 -0.11 2.80 0.00 -1.90 -2.82 103.07 101.57 3ek1 h GLY 301 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3ek1 h GLY 301 CO -0.40 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.47 3ek1 n VAL 302 N -4.18 0.60 0.09 4.60 0.24 -0.18 -4.79 118.33 114.71 3ek1 n VAL 302 Ca 0.12 -0.80 -0.13 0.00 -2.04 0.00 0.00 64.34 61.49 3ek1 n VAL 302 Cb 0.71 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 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 0.20 -0.86 0.04 6.34 3.20 -1.08 0.14 116.97 124.94 3ek1 h TYR 303 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3ek1 h TYR 303 Cb 0.33 0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.97 3ek1 h TYR 303 CO 0.01 -0.42 -0.02 -0.44 -1.64 0.00 0.00 178.16 175.66 3ek1 h ASP 304 N -0.51 -0.05 -0.79 -2.11 3.32 -1.87 -1.13 116.42 113.28 3ek1 h ASP 304 Ca 0.04 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.08 3ek1 h ASP 304 Cb 0.56 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.07 3ek1 h ASP 304 CO -0.21 0.03 0.49 0.50 -1.72 0.00 0.00 179.24 178.32 3ek1 h LYS 305 N -0.12 0.88 -0.06 3.56 1.63 -1.86 -2.10 116.57 118.51 3ek1 h LYS 305 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3ek1 h LYS 305 Cb 0.11 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3ek1 h LYS 305 CO 0.01 0.58 0.03 0.35 -3.45 0.00 0.00 179.45 176.97 3ek1 h PHE 306 N 0.91 0.08 -0.90 1.91 3.57 -0.36 -1.52 116.94 120.63 3ek1 h PHE 306 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.87 3ek1 h PHE 306 Cb 0.12 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3ek1 h PHE 306 CO -0.04 0.15 0.58 0.00 -2.23 0.00 0.00 178.31 176.78 3ek1 h ALA 307 N 0.92 1.19 -0.40 2.41 0.00 -1.07 -0.09 119.26 122.22 3ek1 h ALA 307 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ek1 h ALA 307 Cb 0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3ek1 h ALA 307 CO -0.00 0.44 -0.08 1.49 0.00 0.00 0.00 179.25 181.10 3ek1 h GLU 308 N 1.13 0.76 -0.41 0.00 4.81 -1.14 0.10 114.58 119.84 3ek1 h GLU 308 Ca 0.36 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3ek1 h GLU 308 Cb 0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3ek1 h GLU 308 CO -0.12 0.89 0.02 0.87 -0.73 0.00 0.00 179.01 179.94 3ek1 h LYS 309 N 0.58 0.71 -0.38 1.92 1.57 -0.78 -2.16 116.57 118.03 3ek1 h LYS 309 Ca 0.10 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3ek1 h LYS 309 Cb 0.59 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3ek1 h LYS 309 CO 0.04 0.78 0.13 1.25 -0.57 0.00 0.00 179.45 181.08 3ek1 h LEU 310 N 0.55 0.54 -0.98 2.94 5.85 -0.89 -2.62 115.31 120.70 3ek1 h LEU 310 Ca 0.12 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3ek1 h LEU 310 Cb 0.45 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3ek1 h LEU 310 CO 0.02 0.59 0.64 0.00 -0.34 0.00 0.00 178.44 179.34 3ek1 h ALA 311 N 0.98 1.34 -0.62 1.25 0.00 -0.68 0.53 119.26 122.07 3ek1 h ALA 311 Ca 0.12 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ek1 h ALA 311 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ek1 h ALA 311 CO -0.01 0.47 0.07 0.00 0.00 0.00 0.00 179.25 179.78 3ek1 h ALA 312 N 1.43 0.96 -0.30 0.00 0.00 -1.10 -1.47 119.26 118.78 3ek1 h ALA 312 Ca 0.41 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 312 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ek1 h ALA 312 CO -0.15 0.64 -0.04 0.87 0.00 0.00 0.00 179.25 180.57 3ek1 h LYS 313 N 0.96 0.55 -0.89 0.00 1.79 -1.00 -3.15 116.57 114.84 3ek1 h LYS 313 Ca 0.19 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ek1 h LYS 313 Cb 0.45 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.02 3ek1 h LYS 313 CO 0.02 0.73 0.57 0.28 -1.08 0.00 0.00 179.45 179.96 3ek1 h VAL 314 N 0.33 1.23 -0.39 0.50 2.07 -0.79 -2.32 116.25 116.89 3ek1 h VAL 314 Ca 0.08 -0.46 0.08 0.00 0.82 0.00 0.00 66.70 67.23 3ek1 h VAL 314 Cb 0.50 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ek1 h VAL 314 CO 0.02 0.23 0.27 0.50 0.02 0.00 0.00 177.57 178.62 3ek1 h LYS 315 N 1.21 0.15 -0.00 1.57 3.64 -1.23 -1.82 116.57 120.09 3ek1 h LYS 315 Ca 0.32 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3ek1 h LYS 315 Cb -0.11 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ek1 h LYS 315 CO -0.07 0.10 -0.06 0.39 -2.27 0.00 0.00 179.45 177.55 3ek1 n GLU 316 N -4.46 0.62 -2.12 1.90 1.02 -0.88 -4.88 120.64 111.85 3ek1 n GLU 316 Ca 0.06 -0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 3ek1 n GLU 316 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.47 4.32 -0.19 -4.62 1.43 -0.69 -4.98 118.68 111.48 3ek1 s LEU 317 Ca 0.31 2.20 -0.16 0.00 -1.03 0.00 0.00 54.13 55.44 3ek1 s LEU 317 Cb 0.20 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 3ek1 s LEU 317 CO 0.46 -0.81 0.42 -0.75 0.23 0.00 0.00 176.35 175.89 3ek1 s LYS 318 N 2.94 4.19 -0.13 1.70 2.20 -1.26 -4.97 119.74 124.41 3ek1 s LYS 318 Ca 0.68 0.24 -0.05 0.00 -0.36 0.00 0.00 55.97 56.48 3ek1 s LYS 318 Cb -0.33 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 3ek1 s LYS 318 CO 0.28 -0.02 0.06 0.08 -0.36 0.00 0.00 175.35 175.38 3ek1 s VAL 319 N 1.26 4.76 -1.81 4.02 1.01 -1.26 -0.55 120.40 127.83 3ek1 s VAL 319 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.12 3ek1 s VAL 319 Cb -0.15 -3.08 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3ek1 s VAL 319 CO 0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3ek1 n GLY 320 N 2.67 -1.59 3.69 4.51 0.00 -0.42 -4.97 105.19 109.08 3ek1 n GLY 320 Ca -0.18 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.34 3ek1 n GLY 320 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ek1 n ASN 321 N 1.08 3.61 0.19 1.61 2.85 -1.26 -4.20 115.26 119.14 3ek1 n ASN 321 Ca 0.00 1.06 0.13 0.00 -0.11 0.00 0.00 54.58 55.65 3ek1 n ASN 321 Cb 0.00 -1.50 0.67 0.00 1.24 0.00 0.00 39.78 40.19 3ek1 n ASN 321 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3ek1 h GLY 322 N 6.80 0.00 0.77 8.20 0.00 -1.83 0.44 103.07 117.44 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 0.93 0.00 -0.24 -1.30 0.00 0.00 0.00 176.54 175.93 3ek1 n THR 323 N -2.39 0.00 -2.65 4.70 -2.24 -1.26 -1.26 114.28 109.18 3ek1 n THR 323 Ca -0.01 -0.07 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 3ek1 n THR 323 Cb 0.07 0.12 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 3ek1 n THR 323 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ek1 s GLU 324 N -2.64 4.77 0.38 -0.78 0.41 0.14 -4.99 118.70 116.00 3ek1 s GLU 324 Ca 0.22 1.60 -0.27 0.00 -0.41 0.00 0.00 54.97 56.11 3ek1 s GLU 324 Cb 0.19 -3.25 -0.10 0.00 -1.78 0.00 0.00 34.13 29.19 3ek1 s GLU 324 CO 0.54 0.40 1.38 -2.14 -0.49 0.00 0.00 175.26 174.95 3ek1 s PRO 325 N -1.22 4.07 0.00 0.39 0.02 -1.26 -2.49 135.00 134.51 3ek1 s PRO 325 Ca 0.43 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3ek1 s PRO 325 Cb -0.28 -2.90 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3ek1 s PRO 325 CO 0.35 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 3ek1 n GLY 326 N 0.62 2.98 3.67 0.52 0.00 -1.26 -5.00 105.19 106.72 3ek1 n GLY 326 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.59 3.36 -0.36 1.61 1.01 -1.04 -4.58 120.40 118.81 3ek1 s VAL 327 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.59 3ek1 s VAL 327 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3ek1 s VAL 327 CO 0.00 -0.04 0.32 1.33 0.00 0.00 0.00 175.10 176.72 3ek1 n VAL 328 N 5.28 0.00 -3.96 2.92 0.24 0.29 -4.79 118.33 118.32 3ek1 n VAL 328 Ca 0.17 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.34 61.80 3ek1 n VAL 328 Cb 0.42 1.03 -0.17 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.31 1.10 0.22 1.34 -1.09 -0.49 -4.81 121.20 116.16 3ek1 s ILE 329 Ca 0.03 -0.34 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3ek1 s ILE 329 Cb 0.04 -1.09 0.05 0.00 -1.58 0.00 0.00 42.46 39.88 3ek1 s ILE 329 CO 0.19 0.38 0.31 0.61 -1.23 0.00 0.00 174.94 175.20 3ek1 n GLY 330 N 4.86 0.02 3.85 6.18 0.00 -1.26 -1.30 105.19 117.54 3ek1 n GLY 330 Ca -0.14 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.37 3.58 0.75 1.61 0.04 -1.26 -4.75 135.00 131.60 3ek1 s PRO 331 Ca 0.19 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.99 3ek1 s PRO 331 Cb -0.01 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.49 3ek1 s PRO 331 CO 0.13 -0.58 1.09 -1.64 0.04 0.00 0.00 177.00 176.04 3ek1 s MET 332 N -4.77 2.43 0.38 4.56 -1.94 0.45 -4.78 119.30 115.64 3ek1 s MET 332 Ca 0.57 1.16 0.19 0.00 -1.71 0.00 0.00 55.69 55.90 3ek1 s MET 332 Cb -0.11 -1.92 0.72 0.00 2.01 0.00 0.00 34.83 35.52 3ek1 s MET 332 CO 0.46 -1.51 1.75 0.97 -0.01 0.00 0.00 175.02 176.69 3ek1 h ILE 333 N -0.92 0.88 -1.74 2.53 6.09 -1.85 -3.46 117.51 119.04 3ek1 h ILE 333 Ca -0.44 -1.46 0.16 0.00 -1.37 0.00 0.00 64.86 61.75 3ek1 h ILE 333 Cb 1.23 1.89 -0.19 0.00 0.47 0.00 0.00 36.82 40.22 3ek1 h ILE 333 CO 0.53 0.35 0.65 -1.83 -3.07 0.00 0.00 178.15 174.78 3ek1 s GLU 334 N -3.66 0.53 0.44 2.19 -1.05 -1.26 -4.91 118.70 110.97 3ek1 s GLU 334 Ca -0.00 -0.11 0.10 0.00 -0.15 0.00 0.00 54.97 54.81 3ek1 s GLU 334 Cb 0.11 0.25 0.96 0.00 -0.44 0.00 0.00 34.13 35.01 3ek1 s GLU 334 CO 0.68 -0.21 2.06 0.93 0.95 0.00 0.00 175.26 179.67 3ek1 h GLU 335 N 2.13 0.35 0.00 -4.83 4.39 -1.95 -1.56 114.58 113.11 3ek1 h GLU 335 Ca -0.16 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 3ek1 h GLU 335 Cb 1.19 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3ek1 h GLU 335 CO 0.27 0.26 -0.11 1.57 -1.16 0.00 0.00 179.01 179.85 3ek1 h LYS 336 N 0.35 0.00 -0.43 2.33 2.10 -1.99 -1.97 116.57 116.96 3ek1 h LYS 336 Ca 0.09 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.65 3ek1 h LYS 336 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 3ek1 h LYS 336 CO -0.02 0.11 -0.10 0.00 -2.00 0.00 0.00 179.45 177.44 3ek1 h ALA 337 N 1.89 0.59 -0.25 0.07 0.00 -1.69 -2.16 119.26 117.72 3ek1 h ALA 337 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 3ek1 h ALA 337 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ek1 h ALA 337 CO 0.01 0.48 0.14 0.82 0.00 0.00 0.00 179.25 180.70 3ek1 h ILE 338 N 0.66 1.02 -0.74 0.00 2.04 -1.40 -2.26 117.51 116.84 3ek1 h ILE 338 Ca 0.11 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.96 3ek1 h ILE 338 Cb 0.64 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 3ek1 h ILE 338 CO 0.04 0.05 0.38 0.74 0.00 0.00 0.00 178.15 179.37 3ek1 h THR 339 N 0.30 0.87 -0.01 -0.27 2.02 -1.17 -0.20 112.91 114.44 3ek1 h THR 339 Ca 0.10 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 3ek1 h THR 339 Cb -0.00 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3ek1 h THR 339 CO -0.05 0.12 0.00 0.50 0.37 0.00 0.00 175.52 176.46 3ek1 h LYS 340 N 0.65 0.01 -0.94 6.66 3.64 -1.21 0.69 116.57 126.07 3ek1 h LYS 340 Ca 0.36 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.79 3ek1 h LYS 340 Cb 0.36 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 3ek1 h LYS 340 CO -0.26 0.11 0.61 0.28 -2.27 0.00 0.00 179.45 177.92 3ek1 h VAL 341 N -0.09 1.10 -0.37 2.00 2.07 -0.73 -0.27 116.25 119.96 3ek1 h VAL 341 Ca 0.00 -0.38 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3ek1 h VAL 341 Cb 0.10 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 3ek1 h VAL 341 CO -0.00 0.20 -0.18 0.11 0.02 0.00 0.00 177.57 177.73 3ek1 h LYS 342 N 1.12 0.70 -0.55 1.57 1.57 -0.74 -1.18 116.57 119.05 3ek1 h LYS 342 Ca 0.39 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3ek1 h LYS 342 Cb 0.13 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3ek1 h LYS 342 CO -0.14 0.84 0.07 0.00 -0.57 0.00 0.00 179.45 179.64 3ek1 h ALA 343 N 1.18 0.73 -0.40 3.86 0.00 0.60 -0.19 119.26 125.04 3ek1 h ALA 343 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ek1 h ALA 343 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ek1 h ALA 343 CO 0.05 0.50 0.21 0.45 0.00 0.00 0.00 179.25 180.45 3ek1 h HIS 344 N 0.81 0.56 0.25 0.00 3.86 -0.86 0.31 115.15 120.08 3ek1 h HIS 344 Ca 0.16 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3ek1 h HIS 344 Cb 0.44 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3ek1 h HIS 344 CO 0.03 0.45 -0.21 0.82 0.86 0.00 0.00 177.93 179.88 3ek1 h ILE 345 N 0.51 0.55 -0.45 2.45 2.04 -1.01 -1.86 117.51 119.74 3ek1 h ILE 345 Ca 0.14 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 3ek1 h ILE 345 Cb 0.08 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3ek1 h ILE 345 CO -0.02 0.00 0.17 -0.33 0.00 0.00 0.00 178.15 177.97 3ek1 h GLU 346 N -0.47 0.68 -0.49 2.37 4.39 -0.87 -1.19 114.58 118.98 3ek1 h GLU 346 Ca -0.01 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.62 3ek1 h GLU 346 Cb 0.43 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 3ek1 h GLU 346 CO -0.02 0.63 0.19 0.22 -1.16 0.00 0.00 179.01 178.86 3ek1 h ASP 347 N 0.58 0.21 -0.15 1.42 3.58 -0.96 -0.82 116.42 120.28 3ek1 h ASP 347 Ca 0.15 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 3ek1 h ASP 347 Cb 0.21 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 3ek1 h ASP 347 CO -0.01 0.15 0.06 0.00 -2.88 0.00 0.00 179.24 176.56 3ek1 h ALA 348 N 1.32 0.19 -0.61 -0.78 0.00 -0.43 -2.40 119.26 116.55 3ek1 h ALA 348 Ca 0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 348 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3ek1 h ALA 348 CO -0.23 -0.22 0.21 0.28 0.00 0.00 0.00 179.25 179.29 3ek1 h VAL 349 N 0.08 1.23 0.00 0.00 2.07 -1.19 -0.70 116.25 117.74 3ek1 h VAL 349 Ca 0.05 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3ek1 h VAL 349 Cb 0.17 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3ek1 h VAL 349 CO -0.00 0.29 -0.06 0.77 0.02 0.00 0.00 177.57 178.59 3ek1 h SER 350 N 0.89 0.00 -0.38 0.57 4.64 -0.74 -2.13 113.55 116.40 3ek1 h SER 350 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ek1 h SER 350 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3ek1 h SER 350 CO -0.01 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 3ek1 n LYS 351 N -3.38 3.22 0.00 4.77 5.02 -0.41 -4.95 118.16 122.42 3ek1 n LYS 351 Ca -0.02 -2.67 0.00 0.00 -2.02 0.00 0.00 58.31 53.61 3ek1 n LYS 351 Cb 0.20 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.13 1.59 3.70 0.72 0.00 -0.80 -4.99 105.19 105.55 3ek1 n GLY 352 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.21 1.61 -0.09 4.61 0.00 -0.41 -4.89 121.76 120.37 3ek1 s ALA 353 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3ek1 s ALA 353 Cb 0.00 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3ek1 s ALA 353 CO 0.00 -2.42 -0.17 0.15 0.00 0.00 0.00 175.76 173.33 3ek1 s LYS 354 N -4.78 2.29 -0.76 0.00 -0.14 0.04 -4.22 119.74 112.17 3ek1 s LYS 354 Ca 0.64 -0.61 -0.24 0.00 -1.36 0.00 0.00 55.97 54.41 3ek1 s LYS 354 Cb -0.20 -1.85 0.06 0.00 -1.68 0.00 0.00 37.83 34.16 3ek1 s LYS 354 CO 0.58 0.03 1.16 -1.17 -0.76 0.00 0.00 175.35 175.19 3ek1 s LEU 355 N 0.70 3.89 0.23 3.17 2.96 -1.26 -0.78 118.68 127.58 3ek1 s LEU 355 Ca -0.13 -0.95 0.23 0.00 -0.22 0.00 0.00 54.13 53.06 3ek1 s LEU 355 Cb -0.16 -2.49 0.16 0.00 0.50 0.00 0.00 46.19 44.20 3ek1 s LEU 355 CO 0.03 -1.56 1.22 0.16 -1.32 0.00 0.00 176.35 174.88 3ek1 h ILE 356 N 6.08 0.00 -2.61 6.68 3.07 -1.58 -3.47 117.51 125.69 3ek1 h ILE 356 Ca -0.18 -0.87 -0.03 0.00 1.55 0.00 0.00 64.86 65.33 3ek1 h ILE 356 Cb 1.05 1.49 -0.15 0.00 -0.27 0.00 0.00 36.82 38.94 3ek1 h ILE 356 CO 1.24 0.00 0.22 0.28 -1.05 0.00 0.00 178.15 178.84 3ek1 s THR 357 N -3.29 0.00 0.00 0.16 -1.32 -1.22 -4.98 115.64 104.99 3ek1 s THR 357 Ca 0.03 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 3ek1 s THR 357 Cb 0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3ek1 s THR 357 CO 0.75 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.77 3ek1 n GLY 358 N 0.09 1.84 2.87 6.08 0.00 -1.25 -1.79 105.19 113.03 3ek1 n GLY 358 Ca -0.17 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.16 3.18 -0.02 0.00 -0.03 -4.85 105.19 103.31 3ek1 n GLY 359 Ca 0.00 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3ek1 n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 360 N -5.70 0.86 0.31 1.61 1.02 -1.25 -4.92 119.74 111.66 3ek1 s LYS 360 Ca 0.34 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 3ek1 s LYS 360 Cb -0.15 -0.83 -0.10 0.00 -0.52 0.00 0.00 37.83 36.23 3ek1 s LYS 360 CO 0.42 0.18 1.42 -1.21 -0.92 0.00 0.00 175.35 175.23 3ek1 s GLU 361 N -1.96 4.25 0.00 1.68 2.02 -1.26 -0.04 118.70 123.39 3ek1 s GLU 361 Ca 0.00 2.36 0.13 0.00 0.02 0.00 0.00 54.97 57.48 3ek1 s GLU 361 Cb -0.09 -3.06 0.05 0.00 0.10 0.00 0.00 34.13 31.13 3ek1 s GLU 361 CO 0.02 -0.39 0.83 1.28 0.02 0.00 0.00 175.26 177.02 3ek1 n LEU 362 N 1.38 1.74 0.00 1.80 4.77 -0.26 -4.87 117.00 121.56 3ek1 n LEU 362 Ca 0.03 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 3ek1 n LEU 362 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3ek1 n LEU 362 CO 0.61 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3ek1 n GLY 363 N 0.90 3.13 7.00 -0.72 0.00 -1.25 -4.94 105.19 109.31 3ek1 n GLY 363 Ca 0.07 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 0.38 3.22 1.31 -0.02 0.00 -1.26 -1.91 105.19 106.90 3ek1 n GLY 364 Ca 0.00 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 3.81 -4.77 0.99 4.77 -1.26 -4.93 117.00 115.60 3ek1 n LEU 365 Ca 0.00 -1.91 -0.39 0.00 -0.03 0.00 0.00 56.01 53.68 3ek1 n LEU 365 Cb 0.00 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 3ek1 n LEU 365 CO 0.00 0.86 0.50 -0.36 -1.33 0.00 0.00 177.39 177.06 3ek1 s PHE 366 N -1.29 3.92 -0.02 -1.77 0.08 -0.80 -0.41 117.98 117.68 3ek1 s PHE 366 Ca 0.45 1.67 -0.01 0.00 0.12 0.00 0.00 56.93 59.17 3ek1 s PHE 366 Cb 0.25 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.92 3ek1 s PHE 366 CO 0.29 0.51 0.05 0.12 -0.10 0.00 0.00 175.22 176.08 3ek1 s PHE 367 N -1.15 -0.04 -0.14 0.36 5.36 -1.26 -1.11 117.98 120.00 3ek1 s PHE 367 Ca 0.36 0.15 -0.26 0.00 -0.96 0.00 0.00 56.93 56.22 3ek1 s PHE 367 Cb -0.24 -0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.37 3ek1 s PHE 367 CO 0.27 -0.05 0.87 -2.00 -1.46 0.00 0.00 175.22 172.85 3ek1 s GLU 368 N 0.40 4.34 0.28 10.12 2.12 0.95 -4.90 118.70 132.01 3ek1 s GLU 368 Ca -0.03 1.11 -0.28 0.00 0.36 0.00 0.00 54.97 56.13 3ek1 s GLU 368 Cb -0.05 -3.55 -0.14 0.00 0.26 0.00 0.00 34.13 30.65 3ek1 s GLU 368 CO -0.01 -0.29 0.93 -2.30 -0.54 0.00 0.00 175.26 173.04 3ek1 n PRO 369 N 5.05 1.13 -4.10 4.30 -0.02 -1.26 -0.85 135.00 139.25 3ek1 n PRO 369 Ca 0.05 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3ek1 n PRO 369 Cb 0.49 -1.71 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 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 -0.64 1.48 -0.03 -1.23 0.00 0.13 -3.24 107.32 103.80 3ek1 s GLY 370 Ca 0.59 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.80 3ek1 s GLY 370 CO 0.59 -1.02 0.01 -0.42 0.00 0.00 0.00 173.10 172.26 3ek1 s ILE 371 N -3.18 0.12 -0.11 0.90 1.01 -0.74 -0.26 121.20 118.93 3ek1 s ILE 371 Ca 0.31 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 61.03 3ek1 s ILE 371 Cb 0.00 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 3ek1 s ILE 371 CO 0.20 0.12 0.01 -0.76 0.00 0.00 0.00 174.94 174.51 3ek1 s LEU 372 N 0.96 3.62 0.41 2.97 1.43 0.02 -1.33 118.68 126.75 3ek1 s LEU 372 Ca -0.09 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.20 3ek1 s LEU 372 Cb -0.13 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3ek1 s LEU 372 CO -0.02 0.31 0.39 0.42 0.23 0.00 0.00 176.35 177.68 3ek1 s THR 373 N -0.49 2.82 -1.39 5.49 -4.23 0.04 -0.71 115.64 117.17 3ek1 s THR 373 Ca 0.09 -1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 3ek1 s THR 373 Cb -0.12 -3.03 0.02 0.00 1.34 0.00 0.00 72.50 70.72 3ek1 s THR 373 CO 0.02 -0.02 1.15 0.61 -0.54 0.00 0.00 174.62 175.84 3ek1 n GLY 374 N -1.56 -0.54 3.78 3.99 0.00 -1.22 -0.78 105.19 108.85 3ek1 n GLY 374 Ca 0.03 0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.31 4.51 0.32 1.61 1.01 -0.99 -3.74 120.40 119.81 3ek1 s VAL 375 Ca 0.60 1.58 0.03 0.00 0.00 0.00 0.00 61.98 64.19 3ek1 s VAL 375 Cb -0.27 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 3ek1 s VAL 375 CO 0.74 0.51 0.09 0.42 0.00 0.00 0.00 175.10 176.86 3ek1 s THR 376 N -0.97 0.85 0.05 3.92 -4.23 -1.26 -4.14 115.64 109.85 3ek1 s THR 376 Ca 0.34 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.16 3ek1 s THR 376 Cb -0.22 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.29 3ek1 s THR 376 CO 0.24 0.00 1.93 0.77 -0.54 0.00 0.00 174.62 177.02 3ek1 h SER 377 N 2.13 0.00 -0.02 3.99 4.64 -1.98 -2.06 113.55 120.25 3ek1 h SER 377 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3ek1 h SER 377 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3ek1 h SER 377 CO 0.64 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 3ek1 n ASP 378 N -2.63 1.76 -4.84 4.97 5.68 -1.26 -4.77 116.55 115.46 3ek1 n ASP 378 Ca -0.01 -1.59 -0.33 0.00 -0.50 0.00 0.00 54.79 52.36 3ek1 n ASP 378 Cb 0.13 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.04 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 3ek1 s MET 379 N -1.99 4.07 0.25 0.11 -1.94 -0.77 -4.98 119.30 114.04 3ek1 s MET 379 Ca 0.36 0.73 -0.03 0.00 -1.71 0.00 0.00 55.69 55.04 3ek1 s MET 379 Cb 0.21 -2.54 0.51 0.00 2.01 0.00 0.00 34.83 35.01 3ek1 s MET 379 CO 0.33 0.21 1.71 1.25 -0.01 0.00 0.00 175.02 178.51 3ek1 h LEU 380 N 2.55 0.21 -2.63 -0.03 5.85 -1.90 -1.24 115.31 118.12 3ek1 h LEU 380 Ca -0.48 0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3ek1 h LEU 380 Cb 1.18 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 3ek1 h LEU 380 CO 0.65 0.05 0.08 1.62 -0.34 0.00 0.00 178.44 180.50 3ek1 h VAL 381 N 0.39 0.18 0.00 1.05 3.04 -1.88 0.34 116.25 119.37 3ek1 h VAL 381 Ca 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.11 3ek1 h VAL 381 Cb 0.73 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 30.93 3ek1 h VAL 381 CO -0.46 0.00 -0.11 0.00 -1.01 0.00 0.00 177.57 175.99 3ek1 h ALA 382 N 1.87 1.37 0.00 3.17 0.00 -1.48 -3.33 119.26 120.86 3ek1 h ALA 382 Ca 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3ek1 h ALA 382 Cb 0.17 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3ek1 h ALA 382 CO -0.00 0.14 -1.30 1.63 0.00 0.00 0.00 179.25 179.72 3ek1 n LYS 383 N -3.75 0.67 -4.93 0.00 4.76 0.11 -4.99 118.16 110.03 3ek1 n LYS 383 Ca -0.02 -0.05 -0.27 0.00 -2.87 0.00 0.00 58.31 55.10 3ek1 n LYS 383 Cb 0.21 -1.15 -0.16 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.38 1.81 0.17 1.97 2.12 -0.31 -4.99 118.70 117.10 3ek1 s GLU 384 Ca -0.02 -0.68 -0.31 0.00 0.36 0.00 0.00 54.97 54.32 3ek1 s GLU 384 Cb 0.04 -1.62 -0.09 0.00 0.26 0.00 0.00 34.13 32.71 3ek1 s GLU 384 CO 0.25 0.32 1.43 -1.21 -0.54 0.00 0.00 175.26 175.51 3ek1 s GLU 385 N -0.15 4.30 0.04 4.30 2.02 -1.26 -4.49 118.70 123.45 3ek1 s GLU 385 Ca 0.00 2.19 -0.12 0.00 0.02 0.00 0.00 54.97 57.06 3ek1 s GLU 385 Cb -0.10 -3.18 -0.34 0.00 0.10 0.00 0.00 34.13 30.61 3ek1 s GLU 385 CO 0.01 -0.44 1.05 1.15 0.02 0.00 0.00 175.26 177.05 3ek1 h THR 386 N 3.94 1.35 -6.13 3.63 2.02 -1.92 -3.48 112.91 112.33 3ek1 h THR 386 Ca -0.44 -2.81 -0.43 0.00 0.77 0.00 0.00 66.41 63.50 3ek1 h THR 386 Cb 1.21 3.01 0.03 0.00 -1.74 0.00 0.00 68.15 70.67 3ek1 h THR 386 CO 0.84 0.84 -0.79 0.33 0.37 0.00 0.00 175.52 177.11 3ek1 n PHE 387 N -3.66 -2.16 -3.94 3.16 7.35 -1.26 -4.44 117.46 112.50 3ek1 n PHE 387 Ca -0.14 0.89 -0.10 0.00 -0.76 0.00 0.00 57.45 57.33 3ek1 n PHE 387 Cb 1.08 -4.33 -0.02 0.00 0.35 0.00 0.00 39.48 36.57 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ek1 s GLY 388 N -3.88 0.67 -1.33 7.13 0.00 -1.16 -4.44 107.32 104.32 3ek1 s GLY 388 Ca 0.30 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.98 3ek1 s GLY 388 CO 0.81 -0.56 1.97 -1.55 0.00 0.00 0.00 173.10 173.77 3ek1 n PRO 389 N -0.49 3.43 -3.73 2.90 -0.04 -0.92 -4.41 135.00 131.74 3ek1 n PRO 389 Ca -0.03 -3.29 -0.25 0.00 -0.04 0.00 0.00 63.50 59.89 3ek1 n PRO 389 Cb 0.61 -3.02 -0.17 0.00 -0.04 0.00 0.00 33.50 30.88 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 0.45 0.70 -0.45 1.53 2.96 -1.26 0.22 118.68 122.84 3ek1 s LEU 390 Ca 0.41 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.76 3ek1 s LEU 390 Cb 0.11 -0.43 0.04 0.00 0.50 0.00 0.00 46.19 46.40 3ek1 s LEU 390 CO -0.02 -0.26 0.48 0.00 -1.32 0.00 0.00 176.35 175.23 3ek1 s ALA 391 N 1.98 3.44 -0.33 5.97 0.00 0.64 -4.97 121.76 128.48 3ek1 s ALA 391 Ca 0.03 -1.65 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 3ek1 s ALA 391 Cb -0.14 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3ek1 s ALA 391 CO -0.06 -1.71 0.59 -1.25 0.00 0.00 0.00 175.76 173.33 3ek1 s PRO 392 N 2.18 3.78 -0.45 0.00 0.05 -1.26 -0.80 135.00 138.51 3ek1 s PRO 392 Ca 0.12 0.11 -0.15 0.00 0.05 0.00 0.00 61.00 61.13 3ek1 s PRO 392 Cb -0.19 -3.77 0.06 0.00 0.05 0.00 0.00 34.50 30.65 3ek1 s PRO 392 CO 0.12 -0.62 0.35 -0.51 0.05 0.00 0.00 177.00 176.39 3ek1 s LEU 393 N 2.56 5.41 -0.17 -3.56 1.43 0.11 -1.59 118.68 122.87 3ek1 s LEU 393 Ca 0.23 -1.20 -0.14 0.00 -1.03 0.00 0.00 54.13 51.99 3ek1 s LEU 393 Cb -0.15 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 3ek1 s LEU 393 CO 0.13 -0.57 0.29 -0.36 0.23 0.00 0.00 176.35 176.07 3ek1 s PHE 394 N 1.64 3.43 0.32 0.29 0.08 0.13 -2.35 117.98 121.52 3ek1 s PHE 394 Ca 0.04 0.56 -0.19 0.00 0.12 0.00 0.00 56.93 57.46 3ek1 s PHE 394 Cb -0.22 -2.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.78 3ek1 s PHE 394 CO 0.07 0.19 0.81 0.00 -0.10 0.00 0.00 175.22 176.19 3ek1 s ALA 395 N 0.63 3.27 0.07 5.36 0.00 -1.26 -0.63 121.76 129.21 3ek1 s ALA 395 Ca 0.16 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.26 3ek1 s ALA 395 Cb -0.13 -2.92 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 3ek1 s ALA 395 CO 0.04 0.27 0.15 -0.59 0.00 0.00 0.00 175.76 175.63 3ek1 s PHE 396 N -1.84 0.20 -0.23 0.00 -0.12 -0.88 -4.86 117.98 110.26 3ek1 s PHE 396 Ca 0.52 -0.62 -0.07 0.00 -0.05 0.00 0.00 56.93 56.70 3ek1 s PHE 396 Cb -0.13 -0.11 -0.11 0.00 -0.63 0.00 0.00 43.02 42.03 3ek1 s PHE 396 CO 0.18 -0.49 -0.27 -0.25 -0.05 0.00 0.00 175.22 174.35 3ek1 n ASP 397 N 0.10 1.86 -4.40 1.98 8.00 -1.26 -0.83 116.55 122.00 3ek1 n ASP 397 Ca -0.16 0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 3ek1 n ASP 397 Cb 0.62 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 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 -2.43 2.13 0.22 -3.53 -4.23 -1.26 -4.80 115.64 101.75 3ek1 s THR 398 Ca -0.32 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 57.95 3ek1 s THR 398 Cb 0.11 -2.10 0.17 0.00 1.34 0.00 0.00 72.50 72.03 3ek1 s THR 398 CO 0.44 -0.36 1.77 -0.08 -0.54 0.00 0.00 174.62 175.84 3ek1 h GLU 399 N 2.76 0.52 -0.81 3.99 4.81 -1.99 -1.60 114.58 122.27 3ek1 h GLU 399 Ca -0.41 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 3ek1 h GLU 399 Cb 1.23 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3ek1 h GLU 399 CO 0.56 0.35 0.34 0.93 -0.73 0.00 0.00 179.01 180.46 3ek1 h GLU 400 N 0.54 1.20 -0.36 1.92 3.07 -1.99 -0.43 114.58 118.52 3ek1 h GLU 400 Ca 0.35 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.90 3ek1 h GLU 400 Cb 0.40 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3ek1 h GLU 400 CO -0.29 0.96 -0.18 1.49 -1.40 0.00 0.00 179.01 179.59 3ek1 h GLU 401 N 1.17 0.76 -0.08 2.33 4.81 -1.85 -2.02 114.58 119.70 3ek1 h GLU 401 Ca 0.27 -0.33 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3ek1 h GLU 401 Cb 0.19 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3ek1 h GLU 401 CO -0.03 0.95 -0.56 -0.24 -0.73 0.00 0.00 179.01 178.40 3ek1 h VAL 402 N 0.55 1.37 -0.04 0.32 3.04 -0.96 -1.24 116.25 119.29 3ek1 h VAL 402 Ca 0.08 -1.88 -0.00 0.00 -1.01 0.00 0.00 66.70 63.89 3ek1 h VAL 402 Cb 0.72 1.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.93 3ek1 h VAL 402 CO 0.05 0.56 0.02 0.40 -1.01 0.00 0.00 177.57 177.59 3ek1 h ILE 403 N 0.18 1.09 -0.99 3.17 2.04 -0.97 0.78 117.51 122.82 3ek1 h ILE 403 Ca -0.00 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.60 3ek1 h ILE 403 Cb 1.04 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3ek1 h ILE 403 CO 0.09 0.07 0.65 0.00 0.00 0.00 0.00 178.15 178.96 3ek1 h ALA 404 N 0.91 1.27 -0.28 1.87 0.00 -1.27 -1.61 119.26 120.14 3ek1 h ALA 404 Ca 0.01 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 3ek1 h ALA 404 Cb 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3ek1 h ALA 404 CO -0.00 0.67 -0.48 1.96 0.00 0.00 0.00 179.25 181.40 3ek1 h GLN 405 N 1.35 0.82 -0.59 0.00 4.20 -0.93 -2.45 115.11 117.51 3ek1 h GLN 405 Ca 0.36 -0.51 0.09 0.00 0.06 0.00 0.00 58.65 58.65 3ek1 h GLN 405 Cb -0.14 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.63 3ek1 h GLN 405 CO -0.08 1.14 0.23 0.00 -0.67 0.00 0.00 178.83 179.45 3ek1 h ALA 406 N 0.67 0.76 -0.00 3.87 0.00 -0.53 -2.74 119.26 121.29 3ek1 h ALA 406 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 406 Cb 1.08 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ek1 h ALA 406 CO 0.11 -0.18 -0.09 0.09 0.00 0.00 0.00 179.25 179.18 3ek1 n ASN 407 N -4.98 0.22 -3.73 0.00 3.02 -0.64 -4.60 115.26 104.55 3ek1 n ASN 407 Ca 0.08 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3ek1 n ASN 407 Cb 0.25 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.23 3.91 -3.57 6.41 2.03 -0.93 -4.82 116.55 118.35 3ek1 n ASP 408 Ca 0.12 -2.85 -0.14 0.00 0.52 0.00 0.00 54.79 52.44 3ek1 n ASP 408 Cb 0.28 -1.65 -0.06 0.00 -0.72 0.00 0.00 41.12 38.97 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 3.12 0.00 -0.84 5.18 -1.32 -1.26 -4.97 115.64 115.55 3ek1 s THR 409 Ca 0.47 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.15 3ek1 s THR 409 Cb 0.14 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.31 3ek1 s THR 409 CO -0.09 0.00 1.62 2.30 -2.21 0.00 0.00 174.62 176.24 3ek1 n ILE 410 N 1.30 0.79 -2.64 5.08 -5.35 -1.26 -4.86 119.36 112.41 3ek1 n ILE 410 Ca -0.15 0.17 -0.22 0.00 -0.27 0.00 0.00 62.75 62.29 3ek1 n ILE 410 Cb 0.57 -0.95 0.04 0.00 -1.74 0.00 0.00 39.64 37.56 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 -3.10 2.90 -0.34 4.28 0.08 -1.26 -0.68 117.98 119.86 3ek1 s PHE 411 Ca 0.07 0.04 0.04 0.00 0.12 0.00 0.00 56.93 57.20 3ek1 s PHE 411 Cb 0.11 -2.74 0.24 0.00 -0.57 0.00 0.00 43.02 40.05 3ek1 s PHE 411 CO 0.36 -0.86 1.25 0.41 -0.10 0.00 0.00 175.22 176.28 3ek1 n GLY 412 N -2.36 -0.87 0.00 4.36 0.00 -1.23 -4.77 105.19 100.32 3ek1 n GLY 412 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.05 0.08 -4.64 0.99 7.94 -1.26 -1.18 117.00 118.97 3ek1 n LEU 413 Ca -0.12 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.47 3ek1 n LEU 413 Cb 0.72 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.58 3ek1 n LEU 413 CO -0.09 0.00 -0.37 0.00 -1.11 0.00 0.00 177.39 175.82 3ek1 s ALA 414 N -4.13 3.15 0.05 1.96 0.00 -1.26 -1.60 121.76 119.92 3ek1 s ALA 414 Ca 0.00 -1.16 -0.06 0.00 0.00 0.00 0.00 51.96 50.74 3ek1 s ALA 414 Cb 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.03 3ek1 s ALA 414 CO 0.00 0.67 0.11 0.00 0.00 0.00 0.00 175.76 176.54 3ek1 s ALA 415 N -1.25 -0.05 0.05 0.00 0.00 -0.01 -4.19 121.76 116.31 3ek1 s ALA 415 Ca 0.23 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.61 3ek1 s ALA 415 Cb -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3ek1 s ALA 415 CO 0.16 -0.36 -0.10 0.71 0.00 0.00 0.00 175.76 176.17 3ek1 s TYR 416 N -2.98 0.83 -0.10 0.00 2.02 0.54 -0.90 117.35 116.76 3ek1 s TYR 416 Ca -0.02 -0.45 -0.17 0.00 -0.37 0.00 0.00 57.07 56.06 3ek1 s TYR 416 Cb 0.01 -0.49 0.04 0.00 -0.40 0.00 0.00 41.96 41.12 3ek1 s TYR 416 CO -0.06 -0.04 0.43 -0.59 -1.57 0.00 0.00 175.55 173.72 3ek1 s PHE 417 N -1.23 -0.41 -0.22 2.71 -0.12 0.30 -0.81 117.98 118.21 3ek1 s PHE 417 Ca -0.06 0.87 -0.04 0.00 -0.05 0.00 0.00 56.93 57.65 3ek1 s PHE 417 Cb -0.09 0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.47 3ek1 s PHE 417 CO 0.01 -0.34 -0.05 0.71 -0.05 0.00 0.00 175.22 175.50 3ek1 s TYR 418 N -0.50 2.95 -0.07 3.49 2.02 0.95 -1.11 117.35 125.08 3ek1 s TYR 418 Ca -0.06 -0.97 -0.22 0.00 -0.37 0.00 0.00 57.07 55.45 3ek1 s TYR 418 Cb -0.03 -2.09 0.05 0.00 -0.40 0.00 0.00 41.96 39.48 3ek1 s TYR 418 CO 0.03 -0.56 0.50 -0.08 -1.57 0.00 0.00 175.55 173.87 3ek1 s THR 419 N 1.45 0.02 -2.38 -0.71 -1.32 -1.26 -2.49 115.64 108.95 3ek1 s THR 419 Ca 0.06 -0.19 0.28 0.00 -1.21 0.00 0.00 61.69 60.63 3ek1 s THR 419 Cb -0.14 -0.79 0.54 0.00 -1.51 0.00 0.00 72.50 70.60 3ek1 s THR 419 CO -0.04 -0.10 1.75 -0.62 -2.21 0.00 0.00 174.62 173.40 3ek1 n GLU 420 N 1.49 1.53 -3.33 7.08 -0.58 -0.56 -4.86 120.64 121.42 3ek1 n GLU 420 Ca -0.19 -0.86 -0.38 0.00 -0.42 0.00 0.00 57.16 55.31 3ek1 n GLU 420 Cb 0.56 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.06 6.51 0.13 1.62 3.84 -1.26 -4.98 114.94 118.74 3ek1 s ASN 421 Ca 0.37 0.61 -0.23 0.00 0.21 0.00 0.00 52.86 53.82 3ek1 s ASN 421 Cb 0.21 -2.26 -0.03 0.00 -0.55 0.00 0.00 41.25 38.62 3ek1 s ASN 421 CO 0.36 -0.10 1.67 0.15 -2.79 0.00 0.00 177.10 176.38 3ek1 h PHE 422 N 7.31 -0.40 -0.47 0.43 3.57 -2.00 -1.86 116.94 123.51 3ek1 h PHE 422 Ca -0.36 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.08 3ek1 h PHE 422 Cb 1.16 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 3ek1 h PHE 422 CO 0.68 -0.23 -0.04 0.77 -2.23 0.00 0.00 178.31 177.26 3ek1 h SER 423 N -0.21 0.78 -0.32 0.41 0.02 -2.00 -2.61 113.55 109.62 3ek1 h SER 423 Ca 0.09 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3ek1 h SER 423 Cb 0.33 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 3ek1 h SER 423 CO -0.23 0.87 -0.05 -0.09 -1.14 0.00 0.00 176.83 176.20 3ek1 h ARG 424 N 0.74 0.70 -0.31 3.45 2.43 -1.89 -1.07 114.38 118.43 3ek1 h ARG 424 Ca 0.14 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 3ek1 h ARG 424 Cb 0.51 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3ek1 h ARG 424 CO 0.03 0.75 0.10 0.00 -1.51 0.00 0.00 179.97 179.34 3ek1 h ALA 425 N 1.30 0.35 0.02 2.80 0.00 -0.98 0.23 119.26 122.98 3ek1 h ALA 425 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 425 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3ek1 h ALA 425 CO 0.02 -0.30 -0.01 0.82 0.00 0.00 0.00 179.25 179.79 3ek1 h ILE 426 N 0.24 0.99 -0.24 0.00 1.08 -1.20 -1.23 117.51 117.15 3ek1 h ILE 426 Ca 0.14 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 3ek1 h ILE 426 Cb 0.11 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3ek1 h ILE 426 CO -0.15 0.01 0.12 0.03 -0.69 0.00 0.00 178.15 177.47 3ek1 h ARG 427 N -0.04 0.35 -0.06 2.37 3.08 -0.58 -2.00 114.38 117.49 3ek1 h ARG 427 Ca -0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3ek1 h ARG 427 Cb 0.04 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3ek1 h ARG 427 CO 0.00 0.35 -0.48 0.28 -1.07 0.00 0.00 179.97 179.05 3ek1 h VAL 428 N 0.26 1.40 -0.77 2.04 2.07 -0.55 -0.80 116.25 119.91 3ek1 h VAL 428 Ca 0.08 -1.89 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 3ek1 h VAL 428 Cb 0.12 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 3ek1 h VAL 428 CO -0.01 0.55 0.33 0.77 0.02 0.00 0.00 177.57 179.23 3ek1 h SER 429 N -0.04 1.04 -0.04 0.57 4.64 -1.19 -1.79 113.55 116.74 3ek1 h SER 429 Ca -0.04 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 60.94 3ek1 h SER 429 Cb 1.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3ek1 h SER 429 CO 0.10 0.91 -0.66 -0.33 -0.87 0.00 0.00 176.83 175.98 3ek1 h GLU 430 N 1.11 0.67 0.00 4.77 5.08 -1.31 -3.29 114.58 121.61 3ek1 h GLU 430 Ca 0.26 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 58.05 3ek1 h GLU 430 Cb 0.18 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ek1 h GLU 430 CO -0.03 1.10 -0.41 0.00 -1.00 0.00 0.00 179.01 178.68 3ek1 h ALA 431 N 0.78 1.19 -2.45 3.43 0.00 -0.83 -3.45 119.26 117.93 3ek1 h ALA 431 Ca -0.02 -0.37 -0.54 0.00 0.00 0.00 0.00 54.91 53.98 3ek1 h ALA 431 Cb 1.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.98 3ek1 h ALA 431 CO 0.13 0.51 0.83 -0.51 0.00 0.00 0.00 179.25 180.21 3ek1 s LEU 432 N -7.70 4.34 -1.32 0.00 1.43 -0.70 -4.92 118.68 109.81 3ek1 s LEU 432 Ca -0.02 2.26 -0.10 0.00 -1.03 0.00 0.00 54.13 55.24 3ek1 s LEU 432 Cb 0.13 -3.57 0.14 0.00 0.03 0.00 0.00 46.19 42.92 3ek1 s LEU 432 CO 0.71 -0.73 1.97 -0.62 0.23 0.00 0.00 176.35 177.91 3ek1 n GLU 433 N 4.93 3.52 -3.98 1.70 1.02 -1.26 -4.90 120.64 121.67 3ek1 n GLU 433 Ca 0.13 -3.34 -0.09 0.00 -0.02 0.00 0.00 57.16 53.84 3ek1 n GLU 433 Cb 0.43 -2.98 -0.11 0.00 -0.02 0.00 0.00 31.44 28.76 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 0.84 0.26 -0.06 -0.32 2.02 -1.26 -4.40 117.35 114.44 3ek1 s TYR 434 Ca 0.42 -0.54 0.19 0.00 -0.37 0.00 0.00 57.07 56.76 3ek1 s TYR 434 Cb 0.11 -0.19 0.41 0.00 -0.40 0.00 0.00 41.96 41.89 3ek1 s TYR 434 CO -0.02 -0.21 1.60 0.78 -1.57 0.00 0.00 175.55 176.14 3ek1 h GLY 435 N 4.54 0.00 -6.29 0.71 0.00 -0.74 -3.45 103.07 97.84 3ek1 h GLY 435 Ca -0.32 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.63 3ek1 h GLY 435 CO 0.42 0.00 -0.76 1.06 0.00 0.00 0.00 176.54 177.26 3ek1 s MET 436 N -3.26 0.58 -0.08 4.80 -1.94 -0.63 -4.80 119.30 113.98 3ek1 s MET 436 Ca 0.03 -0.03 0.01 0.00 -1.71 0.00 0.00 55.69 53.99 3ek1 s MET 436 Cb 0.08 -0.66 0.02 0.00 2.01 0.00 0.00 34.83 36.28 3ek1 s MET 436 CO 0.70 -0.10 -0.07 0.08 -0.01 0.00 0.00 175.02 175.62 3ek1 s VAL 437 N 0.94 0.88 -0.22 -6.03 1.01 -1.26 -0.83 120.40 114.89 3ek1 s VAL 437 Ca -0.11 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3ek1 s VAL 437 Cb -0.14 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3ek1 s VAL 437 CO -0.01 0.32 0.40 -0.83 0.00 0.00 0.00 175.10 174.98 3ek1 s GLY 438 N 1.27 2.02 -0.23 4.51 0.00 -0.08 -4.99 107.32 109.83 3ek1 s GLY 438 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 44.72 44.04 3ek1 s GLY 438 CO -0.03 0.87 -0.02 -1.58 0.00 0.00 0.00 173.10 172.34 3ek1 s HIS 439 N 1.53 2.98 -1.73 1.90 2.46 -1.26 -0.54 115.29 120.63 3ek1 s HIS 439 Ca 0.18 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 54.84 3ek1 s HIS 439 Cb -0.15 -2.13 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 3ek1 s HIS 439 CO 0.08 -0.52 0.00 0.09 -2.47 0.00 0.00 174.74 171.92 3ek1 n ASN 440 N 4.82 -5.38 -3.60 9.88 3.02 -0.27 -4.97 115.26 118.75 3ek1 n ASN 440 Ca -0.18 0.14 -0.16 0.00 -0.03 0.00 0.00 54.58 54.35 3ek1 n ASN 440 Cb 0.51 -4.57 -0.07 0.00 -0.61 0.00 0.00 39.78 35.04 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 -2.87 0.01 -1.78 3.41 -1.32 -1.26 -4.98 115.64 106.85 3ek1 s THR 441 Ca 0.00 -0.12 0.20 0.00 -1.21 0.00 0.00 61.69 60.55 3ek1 s THR 441 Cb 0.00 -0.88 -0.01 0.00 -1.51 0.00 0.00 72.50 70.11 3ek1 s THR 441 CO 0.00 -0.07 0.98 0.61 -2.21 0.00 0.00 174.62 173.93 3ek1 n GLY 442 N 1.27 0.01 3.13 6.08 0.00 -1.26 -4.66 105.19 109.75 3ek1 n GLY 442 Ca -0.19 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.26 3.29 0.00 0.99 1.43 -1.26 -4.26 118.68 116.61 3ek1 s LEU 443 Ca 0.16 -1.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 3ek1 s LEU 443 Cb 0.16 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 3ek1 s LEU 443 CO 0.49 -0.16 0.32 2.30 0.23 0.00 0.00 176.35 179.52 3ek1 n ILE 444 N 4.55 0.00 -2.45 -0.59 -5.35 -1.26 -5.04 119.36 109.21 3ek1 n ILE 444 Ca -0.15 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.46 3ek1 n ILE 444 Cb 0.45 1.03 -0.03 0.00 -1.74 0.00 0.00 39.64 39.35 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 -0.98 7.09 0.02 7.28 0.01 -1.26 -5.00 113.70 120.86 3ek1 s SER 445 Ca 0.02 1.93 -0.01 0.00 1.31 0.00 0.00 55.95 59.20 3ek1 s SER 445 Cb 0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3ek1 s SER 445 CO 0.11 -0.49 0.05 -0.46 0.41 0.00 0.00 173.24 172.86 3ek1 n ASN 446 N 4.35 -0.12 -0.00 2.44 0.23 -1.26 -5.05 115.26 115.84 3ek1 n ASN 446 Ca 0.09 -1.08 0.10 0.00 -0.53 0.00 0.00 54.58 53.16 3ek1 n ASN 446 Cb 0.47 0.20 -0.13 0.00 -2.08 0.00 0.00 39.78 38.24 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 -0.03 0.45 0.01 -3.83 0.00 -1.26 -4.54 120.64 111.44 3ek1 n GLU 447 Ca -0.00 -0.08 0.11 0.00 0.00 0.00 0.00 57.16 57.19 3ek1 n GLU 447 Cb 0.03 -1.47 -0.02 0.00 0.00 0.00 0.00 31.44 29.99 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 -1.78 0.06 -4.25 3.84 0.24 -1.26 -0.39 118.33 114.79 3ek1 n VAL 448 Ca 0.01 -0.13 -0.27 0.00 -2.04 0.00 0.00 64.34 61.90 3ek1 n VAL 448 Cb 0.41 0.51 -0.09 0.00 -1.47 0.00 0.00 33.84 33.20 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 -3.12 3.03 -0.05 2.33 0.00 -1.26 -4.00 121.76 118.69 3ek1 s ALA 449 Ca 0.05 -1.39 -0.30 0.00 0.00 0.00 0.00 51.96 50.32 3ek1 s ALA 449 Cb 0.15 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3ek1 s ALA 449 CO 0.82 0.51 1.07 -1.25 0.00 0.00 0.00 175.76 176.91 3ek1 s PRO 450 N -2.74 4.43 -0.19 0.00 0.04 -1.26 -3.95 135.00 131.34 3ek1 s PRO 450 Ca 0.25 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 3ek1 s PRO 450 Cb -0.09 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 3ek1 s PRO 450 CO 0.16 -0.29 -0.06 -0.06 0.04 0.00 0.00 177.00 176.79 3ek1 s PHE 451 N 1.75 2.94 -3.98 0.56 0.08 -0.20 -4.89 117.98 114.23 3ek1 s PHE 451 Ca 0.52 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3ek1 s PHE 451 Cb -0.22 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.22 3ek1 s PHE 451 CO 0.22 -0.36 0.00 0.41 -0.10 0.00 0.00 175.22 175.39 3ek1 n GLY 452 N 4.23 -1.54 3.40 4.36 0.00 -1.26 -0.91 105.19 113.47 3ek1 n GLY 452 Ca -0.18 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.47 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 1.67 0.41 -0.02 0.00 -1.26 -4.02 107.32 104.10 3ek1 s GLY 453 Ca 0.00 -1.79 0.08 0.00 0.00 0.00 0.00 44.72 43.00 3ek1 s GLY 453 CO 0.00 -1.84 0.42 -1.34 0.00 0.00 0.00 173.10 170.35 3ek1 s VAL 454 N -2.88 2.85 0.00 1.40 -7.23 -0.33 -4.25 120.40 109.97 3ek1 s VAL 454 Ca 0.26 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3ek1 s VAL 454 Cb -0.00 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.91 3ek1 s VAL 454 CO 0.10 -0.02 0.00 0.29 -0.31 0.00 0.00 175.10 175.16 3ek1 n LYS 455 N -1.61 0.00 -0.22 4.82 5.02 -1.26 -1.68 118.16 123.22 3ek1 n LYS 455 Ca 0.04 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 3ek1 n LYS 455 Cb 0.61 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.78 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 2.00 0.00 1.97 6.02 0.14 -3.78 117.38 137.74 3ek1 n GLN 456 Ca 0.00 -1.30 0.14 0.00 -0.01 0.00 0.00 57.00 55.83 3ek1 n GLN 456 Cb 0.00 -1.38 0.52 0.00 1.02 0.00 0.00 30.24 30.40 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 0.48 0.24 0.00 1.08 7.64 -0.68 -4.52 113.62 117.85 3ek1 n SER 457 Ca 0.12 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3ek1 n SER 457 Cb 0.37 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 1.44 0.96 2.97 0.23 0.00 -1.25 -0.49 105.19 109.05 3ek1 n GLY 458 Ca 0.09 -1.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 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 1.65 0.03 0.99 1.43 -0.00 -4.51 118.68 118.26 3ek1 s LEU 459 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3ek1 s LEU 459 Cb 0.00 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3ek1 s LEU 459 CO 0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3ek1 n GLY 460 N 3.56 -1.87 3.29 -3.19 0.00 -1.26 -1.26 105.19 104.45 3ek1 n GLY 460 Ca -0.21 -1.48 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.91 1.14 0.12 1.61 1.81 -1.26 -4.41 118.95 116.05 3ek1 s ARG 461 Ca 0.00 -1.19 0.10 0.00 -1.72 0.00 0.00 55.73 52.92 3ek1 s ARG 461 Cb 0.00 -1.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.07 3ek1 s ARG 461 CO 0.00 0.32 -0.24 -1.21 -0.68 0.00 0.00 175.30 173.49 3ek1 s GLU 462 N -1.99 1.56 0.16 3.54 2.02 -0.09 -4.40 118.70 119.49 3ek1 s GLU 462 Ca 0.07 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.79 3ek1 s GLU 462 Cb -0.10 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3ek1 s GLU 462 CO 0.04 0.47 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3ek1 n GLY 463 N 0.97 -1.84 0.70 -1.39 0.00 -1.26 -1.04 105.19 101.34 3ek1 n GLY 463 Ca -0.17 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.70 -4.20 0.22 1.61 3.41 0.48 -1.61 113.62 110.83 3ek1 n SER 464 Ca -0.00 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.12 3ek1 n SER 464 Cb 0.26 -2.20 0.70 0.00 -0.26 0.00 0.00 64.21 62.71 3ek1 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ek1 h LYS 465 N -0.66 0.00 0.00 4.33 2.10 -1.90 -2.05 116.57 118.39 3ek1 h LYS 465 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3ek1 h LYS 465 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 3ek1 h LYS 465 CO 0.01 0.00 -0.80 0.66 -2.00 0.00 0.00 179.45 177.32 3ek1 n TYR 466 N -2.47 0.12 -0.07 0.07 4.01 -1.26 -4.64 117.16 112.93 3ek1 n TYR 466 Ca -0.02 0.03 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 3ek1 n TYR 466 Cb 0.16 -0.28 0.06 0.00 -0.31 0.00 0.00 39.34 38.97 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 4.81 0.82 2.00 2.72 0.00 -0.54 -3.23 103.07 109.66 3ek1 h GLY 467 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 3ek1 h GLY 467 CO 0.00 0.72 -0.30 1.19 0.00 0.00 0.00 176.54 178.14 3ek1 h ILE 468 N 0.63 0.90 0.00 2.60 2.10 -1.82 -2.79 117.51 119.13 3ek1 h ILE 468 Ca 0.06 -1.17 0.00 0.00 1.08 0.00 0.00 64.86 64.83 3ek1 h ILE 468 Cb 0.88 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3ek1 h ILE 468 CO 0.08 0.30 0.00 1.05 -1.08 0.00 0.00 178.15 178.49 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.87 0.54 114.58 119.56 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 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3ek1 h GLU 469 CO 0.04 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.05 3ek1 h GLU 470 N 0.00 0.00 -0.20 1.06 4.39 -1.67 -2.77 114.58 115.38 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 0.35 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 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 0.44 -4.30 4.33 4.01 0.17 -4.97 117.16 114.26 3ek1 n TYR 471 Ca -0.00 -0.68 -0.21 0.00 -0.16 0.00 0.00 57.90 56.85 3ek1 n TYR 471 Cb 0.17 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.79 2.40 -0.06 7.72 1.43 -1.05 -1.56 118.68 125.78 3ek1 s LEU 472 Ca 0.25 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3ek1 s LEU 472 Cb 0.18 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 3ek1 s LEU 472 CO 0.09 -0.04 -0.08 -1.61 0.23 0.00 0.00 176.35 174.94 3ek1 s GLU 473 N -2.57 2.68 -0.05 1.70 0.41 0.85 -4.76 118.70 116.97 3ek1 s GLU 473 Ca 0.12 -0.59 -0.25 0.00 -0.41 0.00 0.00 54.97 53.84 3ek1 s GLU 473 Cb -0.07 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.70 3ek1 s GLU 473 CO 0.05 0.65 0.76 0.99 -0.49 0.00 0.00 175.26 177.23 3ek1 s THR 474 N -0.82 5.01 -0.13 3.63 2.01 -1.26 -2.00 115.64 122.07 3ek1 s THR 474 Ca 0.13 1.58 0.02 0.00 0.31 0.00 0.00 61.69 63.74 3ek1 s THR 474 Cb -0.11 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3ek1 s THR 474 CO 0.02 0.23 -0.21 -0.75 -0.69 0.00 0.00 174.62 173.22 3ek1 s LYS 475 N 0.85 2.86 -0.25 4.92 2.20 0.19 -5.00 119.74 125.51 3ek1 s LYS 475 Ca 0.41 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 55.12 3ek1 s LYS 475 Cb -0.18 -2.32 -0.05 0.00 -1.51 0.00 0.00 37.83 33.76 3ek1 s LYS 475 CO 0.20 -0.02 0.16 -0.47 -0.36 0.00 0.00 175.35 174.86 3ek1 s TYR 476 N 0.83 3.28 -0.16 4.03 5.04 -1.26 -1.06 117.35 128.06 3ek1 s TYR 476 Ca -0.07 0.17 0.01 0.00 -2.44 0.00 0.00 57.07 54.73 3ek1 s TYR 476 Cb -0.15 -2.29 0.01 0.00 0.35 0.00 0.00 41.96 39.88 3ek1 s TYR 476 CO -0.02 -0.00 -0.19 0.42 -1.34 0.00 0.00 175.55 174.42 3ek1 s ILE 477 N 1.22 2.29 -0.29 3.14 1.01 0.74 -5.00 121.20 124.31 3ek1 s ILE 477 Ca 0.07 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 3ek1 s ILE 477 Cb -0.14 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.39 3ek1 s ILE 477 CO 0.06 0.53 0.06 0.00 0.00 0.00 0.00 174.94 175.59 3ek1 s SER 479 N 1.47 3.47 0.16 0.00 0.01 -0.29 -4.96 113.70 113.56 3ek1 s SER 479 Ca 0.02 -0.49 -0.14 0.00 1.31 0.00 0.00 55.95 56.65 3ek1 s SER 479 Cb -0.17 -1.51 -0.07 0.00 0.21 0.00 0.00 66.02 64.48 3ek1 s SER 479 CO 0.01 0.12 0.57 0.00 0.41 0.00 0.00 173.24 174.35 3ek1 s ALA 480 N 0.57 3.56 0.04 1.44 0.00 -1.26 -0.74 121.76 125.38 3ek1 s ALA 480 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3ek1 s ALA 480 Cb -0.16 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 3ek1 s ALA 480 CO 0.04 0.45 -0.04 1.52 0.00 0.00 0.00 175.76 177.72 3ek1 s TYR 481 N -1.50 0.49 -0.24 0.00 -0.85 0.42 -4.96 117.35 110.70 3ek1 s TYR 481 Ca 0.39 -0.80 -0.29 0.00 -0.52 0.00 0.00 57.07 55.85 3ek1 s TYR 481 Cb -0.15 -0.34 0.01 0.00 0.38 0.00 0.00 41.96 41.86 3ek1 s TYR 481 CO 0.19 -0.26 1.13 0.15 -1.52 0.00 0.00 175.55 175.24 3ek1 s LYS 482 N -2.80 4.17 0.00 -3.49 1.02 -1.26 -4.67 119.74 112.71 3ek1 s LYS 482 Ca -0.02 1.35 0.24 0.00 0.02 0.00 0.00 55.97 57.55 3ek1 s LYS 482 Cb -0.01 -3.72 1.42 0.00 -0.52 0.00 0.00 37.83 35.01 3ek1 s LYS 482 CO -0.05 -0.76 1.78 0.54 -0.92 0.00 0.00 175.35 175.94