#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 n ALA 3 N 0.00 2.26 -2.72 -1.18 0.00 -1.26 -4.94 120.51 112.67 3ek1 n ALA 3 Ca 0.00 -3.07 -0.37 0.00 0.00 0.00 0.00 53.44 50.00 3ek1 n ALA 3 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 19.45 15.83 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 6.46 4.37 0.06 0.00 1.43 -1.26 -5.01 118.68 124.72 3ek1 s LEU 4 Ca 0.65 0.60 -0.24 0.00 -1.03 0.00 0.00 54.13 54.11 3ek1 s LEU 4 Cb 0.07 -2.29 -0.17 0.00 0.03 0.00 0.00 46.19 43.83 3ek1 s LEU 4 CO 0.15 0.29 1.60 0.11 0.23 0.00 0.00 176.35 178.73 3ek1 h LYS 5 N 5.44 -0.07 -3.64 1.70 1.57 -1.97 -3.32 116.57 116.28 3ek1 h LYS 5 Ca -0.50 0.00 -0.73 0.00 -1.87 0.00 0.00 60.65 57.56 3ek1 h LYS 5 Cb 1.20 0.02 -0.32 0.00 0.08 0.00 0.00 32.23 33.21 3ek1 h LYS 5 CO 0.65 0.08 -0.16 0.34 -0.57 0.00 0.00 179.45 179.79 3ek1 s ASP 6 N -5.26 5.88 0.28 0.86 -1.08 -1.26 -4.93 116.67 111.15 3ek1 s ASP 6 Ca -0.14 -2.89 0.20 0.00 -0.52 0.00 0.00 52.55 49.21 3ek1 s ASP 6 Cb 0.05 -1.99 1.03 0.00 -1.46 0.00 0.00 42.92 40.54 3ek1 s ASP 6 CO 0.66 -0.42 1.62 -0.81 0.52 0.00 0.00 175.17 176.73 3ek1 n PRO 7 N 3.55 0.14 0.00 4.34 -0.04 -1.25 -1.66 135.00 140.07 3ek1 n PRO 7 Ca 0.11 0.58 0.08 0.00 -0.04 0.00 0.00 63.50 64.23 3ek1 n PRO 7 Cb 0.41 -1.90 0.39 0.00 -0.04 0.00 0.00 33.50 32.36 3ek1 n PRO 7 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ek1 n SER 8 N -2.18 0.00 0.20 3.54 3.41 -1.26 -2.45 113.62 114.88 3ek1 n SER 8 Ca -0.00 0.18 0.07 0.00 -0.26 0.00 0.00 58.87 58.86 3ek1 n SER 8 Cb 0.07 -0.35 0.35 0.00 -0.26 0.00 0.00 64.21 64.03 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 -8.99 1.04 3.38 -1.71 -3.42 115.31 105.60 3ek1 h LEU 9 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3ek1 h LEU 9 Cb 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3ek1 h LEU 9 CO 0.00 0.32 0.69 -0.22 0.09 0.00 0.00 178.44 179.32 3ek1 s LEU 10 N -6.90 4.03 0.25 1.67 2.96 -1.03 -4.02 118.68 115.65 3ek1 s LEU 10 Ca 0.01 1.05 0.12 0.00 -0.22 0.00 0.00 54.13 55.09 3ek1 s LEU 10 Cb 0.10 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 3ek1 s LEU 10 CO 0.67 -0.72 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.23 3ek1 s LYS 11 N 3.27 1.62 -0.04 1.98 -0.14 -1.26 -5.02 119.74 120.16 3ek1 s LYS 11 Ca 0.41 -1.69 0.06 0.00 -1.36 0.00 0.00 55.97 53.38 3ek1 s LYS 11 Cb -0.14 -1.78 0.09 0.00 -1.68 0.00 0.00 37.83 34.33 3ek1 s LYS 11 CO 0.11 0.35 0.95 -1.13 -0.76 0.00 0.00 175.35 174.87 3ek1 n SER 12 N -0.35 1.36 -4.34 2.83 3.41 -1.26 -4.84 113.62 110.43 3ek1 n SER 12 Ca -0.07 -2.15 -0.17 0.00 -0.26 0.00 0.00 58.87 56.21 3ek1 n SER 12 Cb 0.59 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.21 1.35 0.27 4.33 -0.21 -1.26 -4.09 119.66 118.83 3ek1 s GLN 13 Ca 0.10 -1.68 -0.09 0.00 0.02 0.00 0.00 55.36 53.71 3ek1 s GLN 13 Cb 0.09 -0.64 -0.07 0.00 1.00 0.00 0.00 33.01 33.38 3ek1 s GLN 13 CO 0.01 -0.09 0.58 0.00 -2.12 0.00 0.00 175.29 173.67 3ek1 s LEU 15 N -3.08 4.54 -0.12 0.00 2.96 -0.68 -1.45 118.68 120.85 3ek1 s LEU 15 Ca 0.48 -0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3ek1 s LEU 15 Cb -0.11 -2.61 0.03 0.00 0.50 0.00 0.00 46.19 43.99 3ek1 s LEU 15 CO 0.24 -1.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.41 3ek1 s VAL 16 N 3.33 1.08 -1.40 1.68 1.01 0.06 -1.81 120.40 124.36 3ek1 s VAL 16 Ca 0.22 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 3ek1 s VAL 16 Cb -0.16 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3ek1 s VAL 16 CO 0.15 0.36 0.37 -3.20 0.00 0.00 0.00 175.10 172.79 3ek1 n ASN 17 N 4.93 -0.88 0.00 3.32 5.15 -1.26 -0.89 115.26 125.63 3ek1 n ASN 17 Ca -0.13 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.74 3ek1 n ASN 17 Cb 0.50 -2.57 0.00 0.00 -0.53 0.00 0.00 39.78 37.18 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 -2.12 0.51 3.27 8.20 0.00 -1.26 -4.56 105.19 109.22 3ek1 n GLY 18 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.33 1.10 -0.26 1.61 3.00 -0.07 -4.99 118.95 119.01 3ek1 s ARG 19 Ca 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 55.73 54.46 3ek1 s ARG 19 Cb 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 34.95 33.59 3ek1 s ARG 19 CO 0.00 0.31 0.35 -1.58 0.00 0.00 0.00 175.30 174.38 3ek1 s TRP 20 N -1.16 3.27 0.14 -0.53 0.52 -1.26 -0.76 118.94 119.17 3ek1 s TRP 20 Ca 0.05 0.41 0.05 0.00 0.02 0.00 0.00 56.10 56.63 3ek1 s TRP 20 Cb -0.10 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 3ek1 s TRP 20 CO 0.04 -0.17 -0.10 0.96 0.02 0.00 0.00 176.95 177.70 3ek1 s ILE 21 N 1.85 1.17 0.56 2.03 -4.36 -0.53 -4.90 121.20 117.03 3ek1 s ILE 21 Ca 0.15 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.61 3ek1 s ILE 21 Cb -0.15 -1.79 0.08 0.00 1.25 0.00 0.00 42.46 41.85 3ek1 s ILE 21 CO 0.09 -0.71 0.70 0.47 0.24 0.00 0.00 174.94 175.73 3ek1 n ASP 22 N -0.08 2.23 -4.78 4.36 8.00 -1.26 -1.41 116.55 123.61 3ek1 n ASP 22 Ca -0.11 -2.60 -0.37 0.00 0.71 0.00 0.00 54.79 52.42 3ek1 n ASP 22 Cb 0.60 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3ek1 n ASP 22 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ek1 s ALA 23 N -2.71 3.06 0.19 2.24 0.00 -1.26 -4.94 121.76 118.35 3ek1 s ALA 23 Ca 0.53 0.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 3ek1 s ALA 23 Cb -0.04 -3.33 0.22 0.00 0.00 0.00 0.00 23.12 19.96 3ek1 s ALA 23 CO 0.34 -0.42 1.73 0.00 0.00 0.00 0.00 175.76 177.40 3ek1 h ALA 24 N 2.39 0.64 -0.11 0.00 0.00 -1.94 0.19 119.26 120.44 3ek1 h ALA 24 Ca -0.49 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3ek1 h ALA 24 Cb 1.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3ek1 h ALA 24 CO 0.62 -0.25 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 3ek1 n ASP 25 N -5.05 1.12 0.00 0.00 5.68 -1.26 -4.91 116.55 112.14 3ek1 n ASP 25 Ca 0.06 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.75 3ek1 n ASP 25 Cb 0.24 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 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 1.02 0.71 3.82 6.12 0.00 0.06 -5.01 105.19 111.91 3ek1 n GLY 26 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3ek1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 27 N -3.03 4.20 0.25 2.61 -4.23 -1.26 -4.84 115.64 109.33 3ek1 s THR 27 Ca 0.00 1.03 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 3ek1 s THR 27 Cb 0.00 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 3ek1 s THR 27 CO 0.00 -0.62 0.19 0.42 -0.54 0.00 0.00 174.62 174.06 3ek1 s THR 28 N -2.57 0.00 -0.03 3.99 -4.23 -1.26 -1.35 115.64 110.19 3ek1 s THR 28 Ca 0.61 -1.99 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 3ek1 s THR 28 Cb -0.13 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 3ek1 s THR 28 CO 0.35 0.00 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.56 3ek1 s ILE 29 N -3.91 1.88 -0.04 2.99 1.01 0.19 -4.73 121.20 118.59 3ek1 s ILE 29 Ca 0.39 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 3ek1 s ILE 29 Cb 0.05 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3ek1 s ILE 29 CO 0.17 0.53 0.50 -0.54 0.00 0.00 0.00 174.94 175.60 3ek1 s LYS 30 N -0.45 4.22 -0.37 2.79 1.02 -1.26 -0.86 119.74 124.83 3ek1 s LYS 30 Ca 0.06 0.54 -0.12 0.00 0.02 0.00 0.00 55.97 56.48 3ek1 s LYS 30 Cb -0.10 -3.34 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3ek1 s LYS 30 CO 0.00 0.39 0.22 0.08 -0.92 0.00 0.00 175.35 175.12 3ek1 s VAL 31 N -0.16 4.74 0.06 3.17 1.01 0.29 -4.98 120.40 124.53 3ek1 s VAL 31 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3ek1 s VAL 31 Cb -0.17 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3ek1 s VAL 31 CO 0.14 -0.21 0.17 -0.89 0.00 0.00 0.00 175.10 174.31 3ek1 s THR 32 N 1.59 5.15 -0.25 3.92 2.01 -1.26 0.68 115.64 127.48 3ek1 s THR 32 Ca 0.03 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 3ek1 s THR 32 Cb -0.19 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 3ek1 s THR 32 CO 0.07 0.16 0.58 0.21 -0.69 0.00 0.00 174.62 174.96 3ek1 s ASN 33 N -2.39 6.53 0.45 3.53 3.84 -0.51 -4.72 114.94 121.67 3ek1 s ASN 33 Ca 0.32 0.65 0.24 0.00 0.21 0.00 0.00 52.86 54.28 3ek1 s ASN 33 Cb -0.13 -2.31 1.02 0.00 -0.55 0.00 0.00 41.25 39.28 3ek1 s ASN 33 CO 0.25 -0.32 1.87 -0.65 -2.79 0.00 0.00 177.10 175.46 3ek1 h PRO 34 N 7.87 0.00 0.00 0.43 0.11 -1.80 0.02 132.00 138.63 3ek1 h PRO 34 Ca -0.28 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ek1 h PRO 34 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3ek1 h PRO 34 CO 0.75 0.21 -0.01 0.00 -0.21 0.00 0.00 178.00 178.75 3ek1 h ALA 35 N 1.79 1.19 0.00 -0.75 0.00 -1.90 -3.39 119.26 116.19 3ek1 h ALA 35 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 35 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3ek1 h ALA 35 CO 0.03 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 3ek1 n ASP 36 N -3.36 0.00 0.00 0.00 5.68 -1.00 -4.94 116.55 112.92 3ek1 n ASP 36 Ca -0.03 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3ek1 n ASP 36 Cb 0.09 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 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 1.11 3.74 6.12 0.00 -0.04 -4.97 105.19 111.15 3ek1 n GLY 37 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3ek1 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 38 N -2.83 6.77 0.24 1.61 1.04 -1.26 -4.64 113.70 114.64 3ek1 s SER 38 Ca 0.00 2.55 -0.30 0.00 0.48 0.00 0.00 55.95 58.68 3ek1 s SER 38 Cb 0.00 -2.62 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 3ek1 s SER 38 CO 0.00 -0.61 1.35 -0.69 0.98 0.00 0.00 173.24 174.27 3ek1 s VAL 39 N -0.04 2.93 -0.13 5.02 1.01 -1.26 -1.43 120.40 126.49 3ek1 s VAL 39 Ca 0.57 0.80 0.13 0.00 0.00 0.00 0.00 61.98 63.49 3ek1 s VAL 39 Cb -0.39 -3.51 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 3ek1 s VAL 39 CO 0.42 0.14 0.32 -0.38 0.00 0.00 0.00 175.10 175.59 3ek1 n ILE 40 N 2.13 1.51 -1.16 2.22 5.41 0.21 -4.91 119.36 124.79 3ek1 n ILE 40 Ca 0.05 -0.80 0.00 0.00 1.00 0.00 0.00 62.75 63.00 3ek1 n ILE 40 Cb 0.42 -0.84 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 3ek1 n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ek1 n GLY 41 N 1.72 -2.30 3.42 7.39 0.00 -1.22 -4.98 105.19 109.22 3ek1 n GLY 41 Ca -0.27 -1.33 -0.21 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.25 1.72 0.05 2.61 -4.23 -1.26 -0.55 115.64 111.72 3ek1 s THR 42 Ca 0.00 -2.15 0.02 0.00 -1.18 0.00 0.00 61.69 58.38 3ek1 s THR 42 Cb 0.00 -2.40 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 3ek1 s THR 42 CO 0.00 -0.34 -0.07 0.68 -0.54 0.00 0.00 174.62 174.35 3ek1 s VAL 43 N -2.97 0.52 0.82 2.29 -7.23 -0.04 -4.34 120.40 109.45 3ek1 s VAL 43 Ca 0.29 -1.24 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 3ek1 s VAL 43 Cb 0.03 -0.80 0.09 0.00 0.56 0.00 0.00 36.38 36.25 3ek1 s VAL 43 CO 0.12 -0.50 1.13 -2.84 -0.31 0.00 0.00 175.10 172.69 3ek1 s PRO 44 N -2.06 1.75 -0.65 4.82 0.02 -1.26 0.55 135.00 138.17 3ek1 s PRO 44 Ca -0.06 1.41 0.01 0.00 0.02 0.00 0.00 61.00 62.39 3ek1 s PRO 44 Cb -0.07 -1.82 0.16 0.00 0.02 0.00 0.00 34.50 32.79 3ek1 s PRO 44 CO -0.01 -2.06 0.45 0.45 -0.33 0.00 0.00 177.00 175.49 3ek1 s SER 45 N -2.88 4.96 0.54 2.53 0.15 -0.46 -3.76 113.70 114.79 3ek1 s SER 45 Ca 0.65 -3.25 -0.19 0.00 0.70 0.00 0.00 55.95 53.86 3ek1 s SER 45 Cb -0.21 -1.75 -0.06 0.00 -1.71 0.00 0.00 66.02 62.29 3ek1 s SER 45 CO 0.55 -0.24 1.08 -0.76 1.20 0.00 0.00 173.24 175.07 3ek1 s LEU 46 N -0.63 3.72 0.56 3.45 1.43 -0.19 -4.74 118.68 122.28 3ek1 s LEU 46 Ca 0.20 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 3ek1 s LEU 46 Cb -0.17 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.51 3ek1 s LEU 46 CO -0.06 -1.09 0.80 -0.94 0.23 0.00 0.00 176.35 175.30 3ek1 s SER 47 N -2.07 5.37 0.31 2.29 1.04 -1.26 -4.56 113.70 114.83 3ek1 s SER 47 Ca 0.69 0.23 0.04 0.00 0.48 0.00 0.00 55.95 57.38 3ek1 s SER 47 Cb -0.20 -1.18 0.63 0.00 0.10 0.00 0.00 66.02 65.38 3ek1 s SER 47 CO 0.27 -1.10 1.87 0.58 0.98 0.00 0.00 173.24 175.84 3ek1 h VAL 48 N 0.01 0.94 -0.78 5.02 2.07 -1.95 -0.82 116.25 120.75 3ek1 h VAL 48 Ca -0.44 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 3ek1 h VAL 48 Cb 1.28 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3ek1 h VAL 48 CO 0.56 0.17 0.30 0.00 0.02 0.00 0.00 177.57 178.61 3ek1 h ALA 49 N 1.55 1.01 -0.61 1.67 0.00 -1.99 0.12 119.26 121.02 3ek1 h ALA 49 Ca 0.44 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3ek1 h ALA 49 Cb 0.46 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ek1 h ALA 49 CO -0.20 0.65 0.18 1.15 0.00 0.00 0.00 179.25 181.03 3ek1 h THR 50 N 1.13 1.25 -0.96 0.00 2.02 -1.73 -1.86 112.91 112.76 3ek1 h THR 50 Ca 0.26 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 3ek1 h THR 50 Cb 0.24 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.24 3ek1 h THR 50 CO -0.02 0.32 0.59 0.40 0.37 0.00 0.00 175.52 177.18 3ek1 h ILE 51 N 0.87 1.26 -0.83 3.11 1.08 -0.58 0.14 117.51 122.55 3ek1 h ILE 51 Ca 0.20 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3ek1 h ILE 51 Cb 0.30 -0.11 -0.04 0.00 -3.07 0.00 0.00 36.82 33.90 3ek1 h ILE 51 CO -0.00 0.27 0.54 0.11 -0.69 0.00 0.00 178.15 178.37 3ek1 h LYS 52 N 1.31 1.10 -0.33 2.37 1.57 -0.64 -0.86 116.57 121.10 3ek1 h LYS 52 Ca 0.34 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 3ek1 h LYS 52 Cb -0.08 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 3ek1 h LYS 52 CO -0.07 0.74 0.20 0.93 -0.57 0.00 0.00 179.45 180.69 3ek1 h GLU 53 N 1.13 0.41 -0.51 3.15 5.08 -0.02 -1.80 114.58 122.02 3ek1 h GLU 53 Ca 0.30 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.66 3ek1 h GLU 53 Cb -0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3ek1 h GLU 53 CO -0.06 0.27 0.30 0.00 -1.00 0.00 0.00 179.01 178.52 3ek1 h ALA 54 N 1.14 0.65 -0.56 3.43 0.00 -0.29 0.49 119.26 124.10 3ek1 h ALA 54 Ca 0.13 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 54 Cb -0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3ek1 h ALA 54 CO -0.05 0.01 0.11 0.82 0.00 0.00 0.00 179.25 180.14 3ek1 h ILE 55 N 0.60 1.24 -0.16 0.00 2.04 -1.01 -0.69 117.51 119.54 3ek1 h ILE 55 Ca 0.20 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 3ek1 h ILE 55 Cb 0.02 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3ek1 h ILE 55 CO -0.09 0.33 -0.05 0.44 0.00 0.00 0.00 178.15 178.78 3ek1 h ASP 56 N 0.84 0.31 -0.74 1.72 3.32 -0.88 -1.74 116.42 119.26 3ek1 h ASP 56 Ca 0.18 -0.38 0.13 0.00 0.02 0.00 0.00 57.03 56.98 3ek1 h ASP 56 Cb 0.35 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 3ek1 h ASP 56 CO 0.00 0.62 0.49 0.00 -1.72 0.00 0.00 179.24 178.63 3ek1 h ALA 57 N 0.70 2.00 -0.04 3.45 0.00 -0.53 -1.02 119.26 123.83 3ek1 h ALA 57 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 57 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3ek1 h ALA 57 CO 0.02 -0.19 -0.03 1.03 0.00 0.00 0.00 179.25 180.08 3ek1 h SER 58 N 0.49 0.09 -0.88 0.00 0.87 -0.96 -1.74 113.55 111.41 3ek1 h SER 58 Ca 0.35 -0.46 0.18 0.00 -1.23 0.00 0.00 61.79 60.63 3ek1 h SER 58 Cb 0.69 -0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.52 3ek1 h SER 58 CO -0.12 0.53 0.44 0.00 -0.53 0.00 0.00 176.83 177.15 3ek1 h ALA 59 N 0.56 1.39 -0.33 6.23 0.00 -0.79 -1.66 119.26 124.65 3ek1 h ALA 59 Ca 0.01 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 59 Cb 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ek1 h ALA 59 CO 0.01 -0.18 -0.33 -0.22 0.00 0.00 0.00 179.25 178.53 3ek1 h LYS 60 N 0.56 0.81 0.00 0.00 3.64 -1.07 -3.18 116.57 117.33 3ek1 h LYS 60 Ca 0.51 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3ek1 h LYS 60 Cb 0.84 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3ek1 h LYS 60 CO -0.43 1.06 -0.25 0.00 -2.27 0.00 0.00 179.45 177.57 3ek1 h ALA 61 N 0.74 1.12 0.19 5.00 0.00 -0.73 -3.36 119.26 122.22 3ek1 h ALA 61 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ek1 h ALA 61 Cb 0.91 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ek1 h ALA 61 CO 0.08 0.31 -0.09 1.25 0.00 0.00 0.00 179.25 180.80 3ek1 h LEU 62 N 0.00 -0.21 -0.63 0.00 5.85 -1.30 -2.17 115.31 116.86 3ek1 h LEU 62 Ca -0.00 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.80 3ek1 h LEU 62 Cb 0.66 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 3ek1 h LEU 62 CO 0.03 -0.15 0.28 -1.28 -0.34 0.00 0.00 178.44 176.99 3ek1 h SER 63 N -0.25 0.35 -0.09 1.25 0.87 -1.74 0.14 113.55 114.08 3ek1 h SER 63 Ca -0.03 0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.40 3ek1 h SER 63 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3ek1 h SER 63 CO 0.04 0.22 -0.68 1.23 -0.53 0.00 0.00 176.83 177.11 3ek1 h GLY 64 N 0.51 0.78 0.97 5.77 0.00 -1.77 -2.34 103.07 106.99 3ek1 h GLY 64 Ca 0.30 -1.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.59 3ek1 h GLY 64 CO -0.25 0.91 0.21 -0.25 0.00 0.00 0.00 176.54 177.16 3ek1 h TRP 65 N 0.51 0.70 -0.55 5.60 2.91 -0.64 -2.78 115.95 121.72 3ek1 h TRP 65 Ca -0.02 -0.04 -0.04 0.00 1.13 0.00 0.00 58.89 59.92 3ek1 h TRP 65 Cb 1.28 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 29.69 3ek1 h TRP 65 CO 0.07 0.58 0.19 0.00 -1.03 0.00 0.00 178.44 178.24 3ek1 h ALA 66 N 1.06 1.31 0.00 2.65 0.00 -0.74 -2.99 119.26 120.55 3ek1 h ALA 66 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 66 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ek1 h ALA 66 CO -0.02 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.74 3ek1 n ALA 67 N -2.46 2.17 -1.68 0.00 0.00 -0.89 -4.77 120.51 112.88 3ek1 n ALA 67 Ca 0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 3ek1 n ALA 67 Cb 0.18 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.12 2.75 0.71 0.00 1.02 -1.06 -5.00 119.74 115.03 3ek1 s LYS 68 Ca 0.10 1.86 -0.14 0.00 0.02 0.00 0.00 55.97 57.80 3ek1 s LYS 68 Cb 0.13 -1.90 0.03 0.00 -0.52 0.00 0.00 37.83 35.57 3ek1 s LYS 68 CO 0.54 -1.39 1.14 0.95 -0.92 0.00 0.00 175.35 175.68 3ek1 s THR 69 N -1.63 2.88 0.33 2.17 -4.23 -1.26 -4.92 115.64 108.98 3ek1 s THR 69 Ca 0.78 0.40 0.05 0.00 -1.18 0.00 0.00 61.69 61.74 3ek1 s THR 69 Cb -0.32 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 70.92 3ek1 s THR 69 CO 0.36 -0.27 1.87 0.00 -0.54 0.00 0.00 174.62 176.05 3ek1 h ALA 70 N -0.28 1.68 -0.73 3.99 0.00 -1.94 -2.31 119.26 119.67 3ek1 h ALA 70 Ca -0.47 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3ek1 h ALA 70 Cb 1.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3ek1 h ALA 70 CO 0.52 0.10 0.34 -0.22 0.00 0.00 0.00 179.25 179.99 3ek1 h LYS 71 N 0.84 1.05 0.09 0.00 3.64 -1.92 0.20 116.57 120.46 3ek1 h LYS 71 Ca 0.44 -0.15 -0.26 0.00 -1.27 0.00 0.00 60.65 59.41 3ek1 h LYS 71 Cb 0.54 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3ek1 h LYS 71 CO -0.21 0.82 -1.14 1.05 -2.27 0.00 0.00 179.45 177.70 3ek1 h GLU 72 N 1.04 0.35 -0.58 1.90 4.11 -1.80 -1.12 114.58 118.48 3ek1 h GLU 72 Ca 0.25 -0.50 -0.00 0.00 0.07 0.00 0.00 59.36 59.18 3ek1 h GLU 72 Cb 0.13 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3ek1 h GLU 72 CO -0.03 1.20 0.35 0.00 0.07 0.00 0.00 179.01 180.59 3ek1 h ARG 73 N 0.15 0.79 -0.95 1.06 3.08 -1.14 -1.82 114.38 115.55 3ek1 h ARG 73 Ca -0.12 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 59.88 3ek1 h ARG 73 Cb 1.83 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 31.66 3ek1 h ARG 73 CO 0.19 0.58 0.62 0.00 -1.07 0.00 0.00 179.97 180.29 3ek1 h ALA 74 N 1.17 1.25 -0.48 0.04 0.00 -0.45 -1.08 119.26 119.72 3ek1 h ALA 74 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 74 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3ek1 h ALA 74 CO -0.04 0.52 -0.05 0.78 0.00 0.00 0.00 179.25 180.46 3ek1 h GLY 75 N 1.22 0.95 0.75 0.00 0.00 -0.81 0.45 103.07 105.63 3ek1 h GLY 75 Ca 0.37 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3ek1 h GLY 75 CO -0.11 0.67 -0.01 -2.22 0.00 0.00 0.00 176.54 174.88 3ek1 h ILE 76 N 0.72 1.27 -0.74 2.60 2.04 -1.08 -1.86 117.51 120.47 3ek1 h ILE 76 Ca 0.13 -0.86 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3ek1 h ILE 76 Cb 0.58 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3ek1 h ILE 76 CO 0.03 0.25 0.49 -0.07 0.00 0.00 0.00 178.15 178.85 3ek1 h LEU 77 N -0.08 0.79 -0.70 1.44 3.38 -1.16 -1.47 115.31 117.51 3ek1 h LEU 77 Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3ek1 h LEU 77 Cb 0.39 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3ek1 h LEU 77 CO 0.01 0.55 0.16 -0.09 0.09 0.00 0.00 178.44 179.16 3ek1 h ARG 78 N 0.92 1.13 -0.68 1.13 2.43 -0.58 -1.88 114.38 116.85 3ek1 h ARG 78 Ca 0.29 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ek1 h ARG 78 Cb 0.02 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3ek1 h ARG 78 CO -0.08 1.00 0.40 0.87 -1.51 0.00 0.00 179.97 180.65 3ek1 h LYS 79 N 1.07 0.92 -0.26 0.20 1.57 -0.51 0.82 116.57 120.38 3ek1 h LYS 79 Ca 0.22 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3ek1 h LYS 79 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3ek1 h LYS 79 CO 0.00 0.65 0.09 2.35 -0.57 0.00 0.00 179.45 181.97 3ek1 h TRP 80 N 0.93 0.41 -0.19 -1.35 7.01 -0.65 -1.42 115.95 120.69 3ek1 h TRP 80 Ca 0.24 -0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.26 3ek1 h TRP 80 Cb -0.02 -0.12 -0.06 0.00 -2.10 0.00 0.00 29.16 26.86 3ek1 h TRP 80 CO 0.00 0.45 -0.20 0.35 -2.79 0.00 0.00 178.44 176.26 3ek1 h PHE 81 N 0.26 -0.51 -0.91 2.65 3.57 -1.05 0.08 116.94 121.03 3ek1 h PHE 81 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3ek1 h PHE 81 Cb 0.23 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 3ek1 h PHE 81 CO 0.00 -0.27 0.58 -0.44 -2.23 0.00 0.00 178.31 175.95 3ek1 h ASP 82 N -0.22 1.06 -0.52 0.41 3.32 -0.50 -1.97 116.42 118.00 3ek1 h ASP 82 Ca 0.12 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3ek1 h ASP 82 Cb 0.40 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3ek1 h ASP 82 CO -0.32 0.79 0.10 -0.07 -1.72 0.00 0.00 179.24 178.01 3ek1 h LEU 83 N 1.24 0.82 -0.90 1.55 3.38 -0.74 -1.04 115.31 119.62 3ek1 h LEU 83 Ca 0.33 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3ek1 h LEU 83 Cb -0.11 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 3ek1 h LEU 83 CO -0.07 0.86 0.59 0.40 0.09 0.00 0.00 178.44 180.32 3ek1 h ILE 84 N 0.74 1.21 -0.00 1.22 2.04 -0.28 -0.45 117.51 121.99 3ek1 h ILE 84 Ca 0.16 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3ek1 h ILE 84 Cb 0.38 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3ek1 h ILE 84 CO 0.01 0.22 -0.00 0.40 0.00 0.00 0.00 178.15 178.77 3ek1 h ILE 85 N 1.19 1.34 -0.04 -0.67 1.08 -1.14 -1.16 117.51 118.11 3ek1 h ILE 85 Ca 0.34 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.83 3ek1 h ILE 85 Cb -0.10 2.01 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 3ek1 h ILE 85 CO -0.09 0.26 0.04 0.00 -0.69 0.00 0.00 178.15 177.67 3ek1 h ALA 86 N 0.58 1.76 -0.54 1.87 0.00 -0.93 -2.06 119.26 119.94 3ek1 h ALA 86 Ca 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 86 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3ek1 h ALA 86 CO 0.00 -0.06 0.05 0.09 0.00 0.00 0.00 179.25 179.33 3ek1 n ASN 87 N -4.11 5.21 -0.22 0.00 3.02 -0.20 -4.77 115.26 114.20 3ek1 n ASN 87 Ca -0.02 -3.02 -0.04 0.00 -0.03 0.00 0.00 54.58 51.47 3ek1 n ASN 87 Cb 0.13 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.70 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 3.32 0.82 -0.51 5.41 0.00 -0.48 -2.62 119.26 125.21 3ek1 h ALA 88 Ca 0.05 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 88 Cb 1.95 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 3ek1 h ALA 88 CO 0.49 0.13 0.19 -0.44 0.00 0.00 0.00 179.25 179.62 3ek1 h ASP 89 N 0.76 0.71 -0.38 0.00 3.32 -1.86 0.58 116.42 119.56 3ek1 h ASP 89 Ca 0.26 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3ek1 h ASP 89 Cb 0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3ek1 h ASP 89 CO -0.11 0.70 0.07 0.44 -1.72 0.00 0.00 179.24 178.62 3ek1 h ASP 90 N 0.68 0.59 -0.64 6.45 3.32 -1.89 -0.28 116.42 124.66 3ek1 h ASP 90 Ca 0.17 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3ek1 h ASP 90 Cb 0.22 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.58 3ek1 h ASP 90 CO -0.01 0.69 0.42 0.40 -1.72 0.00 0.00 179.24 179.02 3ek1 h ILE 91 N 0.47 1.15 -0.78 0.35 2.04 -1.32 -2.06 117.51 117.36 3ek1 h ILE 91 Ca 0.12 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.72 3ek1 h ILE 91 Cb 0.35 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 3ek1 h ILE 91 CO 0.01 0.16 0.49 0.00 0.00 0.00 0.00 178.15 178.80 3ek1 h ALA 92 N 1.24 1.02 -0.31 1.87 0.00 -0.48 0.07 119.26 122.67 3ek1 h ALA 92 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ek1 h ALA 92 Cb -0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ek1 h ALA 92 CO -0.06 0.29 0.21 1.25 0.00 0.00 0.00 179.25 180.94 3ek1 h LEU 93 N 0.96 0.35 -0.59 0.00 5.85 -0.89 0.22 115.31 121.22 3ek1 h LEU 93 Ca 0.31 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3ek1 h LEU 93 Cb 0.02 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3ek1 h LEU 93 CO -0.12 0.26 0.38 0.40 -0.34 0.00 0.00 178.44 179.03 3ek1 h ILE 94 N 0.42 1.14 0.03 4.05 2.04 -0.86 -0.30 117.51 124.02 3ek1 h ILE 94 Ca 0.11 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3ek1 h ILE 94 Cb -0.05 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ek1 h ILE 94 CO -0.03 0.14 -0.01 -0.03 0.00 0.00 0.00 178.15 178.22 3ek1 h MET 95 N 0.78 -0.04 -0.93 2.37 4.05 -0.57 -1.78 114.93 118.81 3ek1 h MET 95 Ca 0.22 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.79 3ek1 h MET 95 Cb -0.07 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 30.64 3ek1 h MET 95 CO -0.05 0.27 0.54 1.15 0.23 0.00 0.00 176.91 179.05 3ek1 h THR 96 N -0.34 0.80 0.13 -0.77 2.02 -0.49 0.31 112.91 114.56 3ek1 h THR 96 Ca -0.00 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3ek1 h THR 96 Cb 0.32 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3ek1 h THR 96 CO 0.01 0.14 -0.06 0.28 0.37 0.00 0.00 175.52 176.26 3ek1 h SER 97 N 0.79 -0.15 1.10 4.18 0.02 -0.73 -1.65 113.55 117.11 3ek1 h SER 97 Ca 0.50 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 61.21 3ek1 h SER 97 Cb 0.64 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 3ek1 h SER 97 CO -0.33 -0.01 -0.94 1.05 -1.14 0.00 0.00 176.83 175.45 3ek1 h GLU 98 N -0.28 0.00 0.00 3.45 4.11 -1.07 -3.36 114.58 117.44 3ek1 h GLU 98 Ca -0.02 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.11 3ek1 h GLU 98 Cb 0.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3ek1 h GLU 98 CO 0.03 0.51 -2.15 0.94 0.07 0.00 0.00 179.01 178.41 3ek1 n GLN 99 N -3.12 0.51 0.00 1.06 0.00 0.07 -4.53 117.38 111.36 3ek1 n GLN 99 Ca -0.03 0.12 0.00 0.00 -0.00 0.00 0.00 57.00 57.09 3ek1 n GLN 99 Cb 0.82 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.65 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 2.53 1.21 3.75 1.69 0.00 -0.62 -4.69 105.19 109.05 3ek1 n GLY 100 Ca -0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 3.00 0.54 1.61 -2.85 -1.26 -4.20 119.74 116.58 3ek1 s LYS 101 Ca 0.00 2.20 -0.22 0.00 -1.00 0.00 0.00 55.97 56.95 3ek1 s LYS 101 Cb 0.00 -2.16 -0.05 0.00 -2.06 0.00 0.00 37.83 33.56 3ek1 s LYS 101 CO 0.00 -1.29 1.33 -2.30 0.10 0.00 0.00 175.35 173.19 3ek1 n PRO 102 N -1.24 1.66 -0.34 1.78 -0.02 -1.26 -4.38 135.00 131.20 3ek1 n PRO 102 Ca 0.12 0.61 0.12 0.00 -2.02 0.00 0.00 63.50 62.33 3ek1 n PRO 102 Cb 0.46 -2.53 0.31 0.00 -0.02 0.00 0.00 33.50 31.71 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 1.41 0.67 -1.65 2.45 3.38 -1.54 0.23 115.31 120.27 3ek1 h LEU 103 Ca -0.50 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3ek1 h LEU 103 Cb 1.31 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3ek1 h LEU 103 CO 0.57 0.21 0.09 0.00 0.09 0.00 0.00 178.44 179.40 3ek1 h ALA 104 N 1.65 1.73 0.08 1.53 0.00 -1.89 0.15 119.26 122.50 3ek1 h ALA 104 Ca 0.56 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 104 Cb 0.91 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.62 3ek1 h ALA 104 CO -0.41 0.22 -1.14 0.93 0.00 0.00 0.00 179.25 178.85 3ek1 h GLU 105 N 0.32 0.52 -0.23 0.00 5.08 -0.95 -2.18 114.58 117.14 3ek1 h GLU 105 Ca 0.08 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 3ek1 h GLU 105 Cb 0.07 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3ek1 h GLU 105 CO -0.01 1.27 0.11 0.00 -1.00 0.00 0.00 179.01 179.38 3ek1 h ALA 106 N 0.47 0.30 -0.32 3.43 0.00 -0.52 0.75 119.26 123.37 3ek1 h ALA 106 Ca -0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 106 Cb 1.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 3ek1 h ALA 106 CO 0.21 -0.14 0.19 -0.09 0.00 0.00 0.00 179.25 179.42 3ek1 h ARG 107 N 0.24 0.44 -0.64 0.00 2.43 -0.75 -0.92 114.38 115.19 3ek1 h ARG 107 Ca 0.08 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3ek1 h ARG 107 Cb 0.12 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 3ek1 h ARG 107 CO -0.01 0.35 0.29 0.78 -1.51 0.00 0.00 179.97 179.87 3ek1 h GLY 108 N 0.41 0.92 0.84 2.80 0.00 -1.18 -2.18 103.07 104.68 3ek1 h GLY 108 Ca 0.12 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.31 3ek1 h GLY 108 CO -0.02 0.04 0.59 -2.09 0.00 0.00 0.00 176.54 175.06 3ek1 h GLU 109 N 0.51 1.10 -0.73 4.80 4.81 -0.26 -0.69 114.58 124.12 3ek1 h GLU 109 Ca 0.31 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3ek1 h GLU 109 Cb 0.33 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3ek1 h GLU 109 CO -0.26 0.72 0.24 0.28 -0.73 0.00 0.00 179.01 179.26 3ek1 h VAL 110 N 1.13 1.26 -0.19 0.32 2.07 -0.68 0.31 116.25 120.48 3ek1 h VAL 110 Ca 0.37 -0.88 -0.16 0.00 0.82 0.00 0.00 66.70 66.84 3ek1 h VAL 110 Cb 0.04 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3ek1 h VAL 110 CO -0.13 0.35 -0.55 -0.07 0.02 0.00 0.00 177.57 177.19 3ek1 h LEU 111 N 1.07 0.64 0.47 2.57 3.38 -0.98 -1.66 115.31 120.80 3ek1 h LEU 111 Ca 0.24 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3ek1 h LEU 111 Cb 0.29 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3ek1 h LEU 111 CO -0.01 1.06 -0.23 0.22 0.09 0.00 0.00 178.44 179.57 3ek1 h TYR 112 N 0.44 -0.59 -0.64 1.13 3.20 -0.75 -1.81 116.97 117.96 3ek1 h TYR 112 Ca 0.01 -0.01 0.12 0.00 3.14 0.00 0.00 58.73 61.98 3ek1 h TYR 112 Cb 1.10 0.19 -0.12 0.00 1.54 0.00 0.00 36.73 39.44 3ek1 h TYR 112 CO 0.05 -0.36 -0.28 0.00 -1.64 0.00 0.00 178.16 175.93 3ek1 h ALA 113 N -0.12 0.15 -0.41 1.82 0.00 -0.39 -2.31 119.26 118.00 3ek1 h ALA 113 Ca -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ek1 h ALA 113 Cb 0.49 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3ek1 h ALA 113 CO 0.11 -0.58 0.07 0.00 0.00 0.00 0.00 179.25 178.85 3ek1 h ALA 114 N 1.26 1.37 -0.10 0.00 0.00 -1.22 -2.73 119.26 117.84 3ek1 h ALA 114 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 114 Cb 0.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3ek1 h ALA 114 CO -0.70 0.45 0.06 0.66 0.00 0.00 0.00 179.25 179.72 3ek1 h SER 115 N 0.59 0.12 -0.24 0.00 4.64 -0.73 -0.94 113.55 116.99 3ek1 h SER 115 Ca 0.13 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3ek1 h SER 115 Cb 0.27 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.31 3ek1 h SER 115 CO 0.00 0.10 -0.08 -0.26 -0.87 0.00 0.00 176.83 175.72 3ek1 h PHE 116 N 0.14 0.65 -0.23 4.77 0.04 -1.48 -0.01 116.94 120.81 3ek1 h PHE 116 Ca 0.04 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 3ek1 h PHE 116 Cb -0.00 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 37.97 3ek1 h PHE 116 CO 0.00 0.67 -0.14 0.82 -0.60 0.00 0.00 178.31 179.06 3ek1 h ILE 117 N 0.56 1.31 -0.08 -0.55 2.04 -1.31 0.13 117.51 119.60 3ek1 h ILE 117 Ca 0.11 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 3ek1 h ILE 117 Cb 0.47 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 3ek1 h ILE 117 CO 0.03 0.38 0.05 -0.08 0.00 0.00 0.00 178.15 178.52 3ek1 h GLU 118 N 0.22 0.11 -0.16 2.37 4.81 -1.15 0.14 114.58 120.91 3ek1 h GLU 118 Ca 0.05 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3ek1 h GLU 118 Cb 0.65 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 3ek1 h GLU 118 CO 0.04 0.12 0.06 2.35 -0.73 0.00 0.00 179.01 180.86 3ek1 h TRP 119 N 0.06 0.12 0.00 0.92 2.91 -0.83 -2.38 115.95 116.74 3ek1 h TRP 119 Ca 0.03 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.99 3ek1 h TRP 119 Cb 0.04 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 3ek1 h TRP 119 CO -0.06 0.06 -0.31 0.74 -1.03 0.00 0.00 178.44 177.84 3ek1 h PHE 120 N 0.15 0.00 -0.66 2.65 0.04 -0.64 0.70 116.94 119.18 3ek1 h PHE 120 Ca 0.07 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.88 3ek1 h PHE 120 Cb 0.03 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 3ek1 h PHE 120 CO -0.10 0.31 0.39 0.00 -0.60 0.00 0.00 178.31 178.32 3ek1 h ALA 121 N 1.69 0.87 -0.38 2.45 0.00 -0.46 0.33 119.26 123.76 3ek1 h ALA 121 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3ek1 h ALA 121 Cb 0.91 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3ek1 h ALA 121 CO 0.04 0.12 -0.12 0.93 0.00 0.00 0.00 179.25 180.22 3ek1 h GLU 122 N 0.76 0.74 -0.12 0.00 5.08 -0.89 -3.01 114.58 117.13 3ek1 h GLU 122 Ca 0.28 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3ek1 h GLU 122 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3ek1 h GLU 122 CO -0.14 0.90 -0.01 0.93 -1.00 0.00 0.00 179.01 179.70 3ek1 h GLU 123 N 0.54 0.17 -1.10 2.33 4.39 -0.53 -2.77 114.58 117.61 3ek1 h GLU 123 Ca 0.09 -0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.08 3ek1 h GLU 123 Cb 0.64 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.18 3ek1 h GLU 123 CO 0.04 0.19 0.74 0.00 -1.16 0.00 0.00 179.01 178.82 3ek1 h ALA 124 N 1.83 2.54 -0.04 3.43 0.00 -0.79 0.11 119.26 126.35 3ek1 h ALA 124 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 124 Cb 0.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ek1 h ALA 124 CO 0.00 -0.95 0.00 1.63 0.00 0.00 0.00 179.25 179.94 3ek1 n LYS 125 N -4.50 1.54 -0.89 0.00 5.02 -1.04 -3.93 118.16 114.35 3ek1 n LYS 125 Ca 0.26 -0.78 0.05 0.00 -2.02 0.00 0.00 58.31 55.82 3ek1 n LYS 125 Cb 1.03 -1.46 0.12 0.00 -0.02 0.00 0.00 35.03 34.71 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 -0.04 0.90 -2.75 1.97 1.74 0.39 -4.94 116.66 113.93 3ek1 n ARG 126 Ca 0.19 -2.65 -0.42 0.00 -0.77 0.00 0.00 57.85 54.19 3ek1 n ARG 126 Cb 0.30 -0.95 -0.03 0.00 -1.02 0.00 0.00 32.46 30.75 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 -1.84 4.25 -0.16 1.55 1.01 -1.21 -4.99 120.40 119.02 3ek1 s VAL 127 Ca 0.34 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3ek1 s VAL 127 Cb 0.35 -4.85 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3ek1 s VAL 127 CO -0.10 -1.66 0.17 -0.31 0.00 0.00 0.00 175.10 173.20 3ek1 s TYR 128 N 4.13 3.50 0.00 5.22 2.02 -1.26 -4.93 117.35 126.03 3ek1 s TYR 128 Ca 0.34 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.51 3ek1 s TYR 128 Cb -0.07 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 3ek1 s TYR 128 CO -0.01 0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.84 3ek1 n GLY 129 N 2.89 1.44 3.24 0.71 0.00 -1.26 -4.87 105.19 107.35 3ek1 n GLY 129 Ca -0.17 -2.04 -0.19 0.00 0.00 0.00 0.00 46.02 43.62 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 2.09 -0.00 1.61 1.01 0.06 -4.96 116.67 115.48 3ek1 s ASP 130 Ca 0.00 -0.76 0.05 0.00 0.71 0.00 0.00 52.55 52.55 3ek1 s ASP 130 Cb 0.00 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 3ek1 s ASP 130 CO 0.00 -0.09 -0.13 0.42 0.21 0.00 0.00 175.17 175.58 3ek1 s THR 131 N -1.82 3.15 -0.04 -1.27 -4.23 -1.26 -0.66 115.64 109.50 3ek1 s THR 131 Ca 0.07 -0.89 0.03 0.00 -1.18 0.00 0.00 61.69 59.72 3ek1 s THR 131 Cb -0.07 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3ek1 s THR 131 CO 0.03 0.45 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.81 3ek1 s ILE 132 N -0.88 1.06 0.22 2.99 1.01 -0.92 -5.01 121.20 119.68 3ek1 s ILE 132 Ca 0.14 -0.49 -0.32 0.00 0.00 0.00 0.00 60.65 59.98 3ek1 s ILE 132 Cb -0.11 -0.94 -0.12 0.00 0.01 0.00 0.00 42.46 41.30 3ek1 s ILE 132 CO 0.04 0.32 1.64 -2.65 0.00 0.00 0.00 174.94 174.30 3ek1 n PRO 133 N 3.40 2.58 -2.78 2.79 -0.02 -1.26 -3.91 135.00 135.79 3ek1 n PRO 133 Ca -0.20 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 3ek1 n PRO 133 Cb 0.53 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.75 3.36 0.52 3.55 0.00 -1.26 -4.95 121.76 123.73 3ek1 s ALA 134 Ca 0.73 0.31 0.42 0.00 0.00 0.00 0.00 51.96 53.41 3ek1 s ALA 134 Cb -0.55 -3.31 2.20 0.00 0.00 0.00 0.00 23.12 21.46 3ek1 s ALA 134 CO 0.39 -0.46 2.27 -1.35 0.00 0.00 0.00 175.76 176.60 3ek1 h PRO 135 N 7.03 0.00 -6.50 0.00 0.11 -1.93 -3.42 132.00 127.30 3ek1 h PRO 135 Ca -0.34 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.08 3ek1 h PRO 135 Cb 1.17 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.05 3ek1 h PRO 135 CO 0.81 0.00 -0.80 -0.65 -0.21 0.00 0.00 178.00 177.16 3ek1 s GLN 136 N -4.03 2.21 0.80 1.05 -0.21 -1.26 -5.12 119.66 113.10 3ek1 s GLN 136 Ca -0.04 -0.89 -0.14 0.00 0.02 0.00 0.00 55.36 54.32 3ek1 s GLN 136 Cb 0.12 -2.24 0.07 0.00 1.00 0.00 0.00 33.01 31.95 3ek1 s GLN 136 CO 0.42 0.57 1.13 0.09 -2.12 0.00 0.00 175.29 175.38 3ek1 n ASN 137 N 1.82 0.83 -0.03 5.90 5.03 -1.26 -3.37 115.26 124.19 3ek1 n ASN 137 Ca -0.16 0.59 -0.00 0.00 0.87 0.00 0.00 54.58 55.88 3ek1 n ASN 137 Cb 0.52 -1.48 -0.00 0.00 -1.02 0.00 0.00 39.78 37.80 3ek1 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ek1 n GLY 138 N 0.69 0.35 3.23 7.41 0.00 -1.26 -5.01 105.19 110.60 3ek1 n GLY 138 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.82 0.99 -0.03 1.61 -0.21 -1.22 -1.40 119.66 118.59 3ek1 s GLN 139 Ca 0.00 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.22 3ek1 s GLN 139 Cb 0.00 -0.95 0.01 0.00 1.00 0.00 0.00 33.01 33.07 3ek1 s GLN 139 CO 0.00 0.19 -0.05 1.03 -2.12 0.00 0.00 175.29 174.35 3ek1 s ARG 140 N -2.37 0.62 -0.10 2.91 1.81 0.66 -4.61 118.95 117.87 3ek1 s ARG 140 Ca 0.06 -0.13 -0.00 0.00 -1.72 0.00 0.00 55.73 53.94 3ek1 s ARG 140 Cb -0.07 -0.64 -0.03 0.00 -0.45 0.00 0.00 34.95 33.77 3ek1 s ARG 140 CO 0.03 0.00 -0.08 -0.51 -0.68 0.00 0.00 175.30 174.07 3ek1 s LEU 141 N 0.47 3.08 0.04 2.53 1.43 -1.25 -0.29 118.68 124.69 3ek1 s LEU 141 Ca -0.06 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3ek1 s LEU 141 Cb -0.09 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3ek1 s LEU 141 CO -0.00 0.28 -0.07 -0.89 0.23 0.00 0.00 176.35 175.90 3ek1 s THR 142 N -0.33 0.50 -0.08 5.49 2.01 0.12 -2.17 115.64 121.19 3ek1 s THR 142 Ca 0.04 -1.04 0.01 0.00 0.31 0.00 0.00 61.69 61.02 3ek1 s THR 142 Cb -0.13 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.83 3ek1 s THR 142 CO 0.02 -0.38 -0.09 -0.69 -0.69 0.00 0.00 174.62 172.80 3ek1 s VAL 143 N -1.35 0.98 0.31 3.82 1.01 0.16 -0.33 120.40 125.01 3ek1 s VAL 143 Ca -0.10 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.63 3ek1 s VAL 143 Cb -0.10 -0.95 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 3ek1 s VAL 143 CO 0.00 0.34 -0.12 0.27 0.00 0.00 0.00 175.10 175.59 3ek1 s ILE 144 N 1.09 2.17 -0.07 2.22 -4.36 -0.34 -0.76 121.20 121.14 3ek1 s ILE 144 Ca -0.07 -2.24 0.03 0.00 -0.26 0.00 0.00 60.65 58.11 3ek1 s ILE 144 Cb -0.14 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.07 3ek1 s ILE 144 CO -0.01 -0.28 -0.15 -0.13 0.24 0.00 0.00 174.94 174.61 3ek1 s ARG 145 N -3.61 1.95 0.11 0.37 0.52 -1.26 -0.92 118.95 116.11 3ek1 s ARG 145 Ca 0.31 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 3ek1 s ARG 145 Cb 0.01 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.86 3ek1 s ARG 145 CO 0.15 0.07 -0.11 -0.65 0.02 0.00 0.00 175.30 174.78 3ek1 s GLN 146 N 0.56 0.93 0.34 3.54 -0.21 -0.70 -4.93 119.66 119.19 3ek1 s GLN 146 Ca -0.15 -1.25 -0.29 0.00 0.02 0.00 0.00 55.36 53.69 3ek1 s GLN 146 Cb -0.16 -0.60 -0.11 0.00 1.00 0.00 0.00 33.01 33.15 3ek1 s GLN 146 CO 0.05 0.09 1.48 -1.25 -2.12 0.00 0.00 175.29 173.53 3ek1 s PRO 147 N -3.07 4.16 0.49 2.91 0.04 -1.26 0.32 135.00 138.61 3ek1 s PRO 147 Ca 0.09 2.49 0.14 0.00 0.04 0.00 0.00 61.00 63.77 3ek1 s PRO 147 Cb -0.01 -3.01 1.18 0.00 0.04 0.00 0.00 34.50 32.69 3ek1 s PRO 147 CO 0.00 -0.49 2.13 0.28 0.04 0.00 0.00 177.00 178.96 3ek1 h VAL 148 N 3.13 1.02 0.00 -0.36 2.07 -1.47 -3.43 116.25 117.21 3ek1 h VAL 148 Ca -0.49 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ek1 h VAL 148 Cb 1.23 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3ek1 h VAL 148 CO 0.69 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.91 3ek1 n GLY 149 N -1.53 0.07 3.71 2.17 0.00 -1.26 -4.87 105.19 103.48 3ek1 n GLY 149 Ca -0.02 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.28 4.62 0.22 1.61 1.01 -1.26 -2.74 120.40 123.58 3ek1 s VAL 150 Ca 0.00 1.88 0.08 0.00 0.00 0.00 0.00 61.98 63.94 3ek1 s VAL 150 Cb 0.00 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 3ek1 s VAL 150 CO 0.00 0.12 -0.14 0.42 0.00 0.00 0.00 175.10 175.51 3ek1 s THR 151 N 1.19 1.80 -0.03 3.92 -4.23 -0.43 -1.39 115.64 116.46 3ek1 s THR 151 Ca 0.54 -2.22 0.04 0.00 -1.18 0.00 0.00 61.69 58.87 3ek1 s THR 151 Cb -0.23 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.47 3ek1 s THR 151 CO 0.27 -0.53 -0.14 0.00 -0.54 0.00 0.00 174.62 173.68 3ek1 s ALA 152 N -2.93 1.26 -0.06 3.99 0.00 -0.50 -1.26 121.76 122.27 3ek1 s ALA 152 Ca 0.24 -0.59 0.06 0.00 0.00 0.00 0.00 51.96 51.68 3ek1 s ALA 152 Cb -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3ek1 s ALA 152 CO 0.08 0.25 -0.24 0.00 0.00 0.00 0.00 175.76 175.85 3ek1 s ALA 153 N -0.06 2.20 -0.12 0.00 0.00 0.62 -0.48 121.76 123.91 3ek1 s ALA 153 Ca -0.00 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3ek1 s ALA 153 Cb -0.09 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.36 3ek1 s ALA 153 CO 0.01 0.42 -0.16 0.42 0.00 0.00 0.00 175.76 176.45 3ek1 s ILE 154 N -0.19 1.57 0.12 0.00 1.01 0.44 -0.92 121.20 123.23 3ek1 s ILE 154 Ca -0.03 -0.67 0.06 0.00 0.00 0.00 0.00 60.65 60.01 3ek1 s ILE 154 Cb -0.14 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3ek1 s ILE 154 CO 0.03 0.46 -0.15 0.42 0.00 0.00 0.00 174.94 175.70 3ek1 s THR 155 N 1.10 1.40 0.60 2.92 -4.23 -1.09 -1.85 115.64 114.49 3ek1 s THR 155 Ca -0.04 -1.71 0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3ek1 s THR 155 Cb -0.14 -1.54 0.09 0.00 1.34 0.00 0.00 72.50 72.24 3ek1 s THR 155 CO -0.04 -0.37 0.82 -2.16 -0.54 0.00 0.00 174.62 172.33 3ek1 s PRO 156 N -2.59 2.20 0.13 3.99 0.04 -1.23 -2.44 135.00 135.09 3ek1 s PRO 156 Ca 0.09 -1.51 0.24 0.00 0.04 0.00 0.00 61.00 59.86 3ek1 s PRO 156 Cb -0.06 -2.59 0.30 0.00 0.04 0.00 0.00 34.50 32.20 3ek1 s PRO 156 CO 0.03 -0.95 1.28 0.11 0.04 0.00 0.00 177.00 177.51 3ek1 h TRP 157 N 0.05 0.00 0.00 0.56 5.08 -1.93 -3.38 115.95 116.33 3ek1 h TRP 157 Ca -0.32 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.58 3ek1 h TRP 157 Cb 1.28 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.43 3ek1 h TRP 157 CO 0.29 0.00 -0.35 -2.95 -1.28 0.00 0.00 178.44 174.16 3ek1 h ASN 158 N 0.00 0.00 -2.52 0.11 -1.07 -1.96 -3.35 115.58 106.78 3ek1 h ASN 158 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.78 3ek1 h ASN 158 Cb 0.77 0.00 -0.39 0.00 -2.07 0.00 0.00 38.32 36.63 3ek1 h ASN 158 CO 0.00 0.35 -0.90 -0.36 0.07 0.00 0.00 177.43 176.58 3ek1 s PHE 159 N -3.15 1.05 -1.59 4.14 0.08 -1.26 -4.96 117.98 112.29 3ek1 s PHE 159 Ca 0.04 -2.08 0.30 0.00 0.12 0.00 0.00 56.93 55.30 3ek1 s PHE 159 Cb 0.08 -1.01 1.43 0.00 -0.57 0.00 0.00 43.02 42.95 3ek1 s PHE 159 CO 0.71 -0.82 1.99 -0.35 -0.10 0.00 0.00 175.22 176.65 3ek1 n PRO 160 N 3.32 0.61 -0.09 0.24 -0.05 -1.26 -2.67 135.00 135.11 3ek1 n PRO 160 Ca 0.22 -0.11 -0.15 0.00 -0.05 0.00 0.00 63.50 63.41 3ek1 n PRO 160 Cb 0.43 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.33 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ek1 n ALA 161 N -1.10 1.39 0.10 0.55 0.00 -1.26 -4.00 120.51 116.19 3ek1 n ALA 161 Ca 0.15 -0.78 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 3ek1 n ALA 161 Cb 0.24 0.13 0.23 0.00 0.00 0.00 0.00 19.45 20.06 3ek1 n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ek1 h ALA 162 N -0.81 1.12 0.00 0.00 0.00 -1.82 -0.70 119.26 117.05 3ek1 h ALA 162 Ca -0.27 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3ek1 h ALA 162 Cb 1.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3ek1 h ALA 162 CO -0.16 0.58 -0.17 0.52 0.00 0.00 0.00 179.25 180.03 3ek1 h MET 163 N 0.19 0.00 0.11 0.00 2.86 -1.83 -1.10 114.93 115.16 3ek1 h MET 163 Ca 0.02 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 3ek1 h MET 163 Cb 0.81 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.48 3ek1 h MET 163 CO 0.06 0.17 -0.76 0.82 1.06 0.00 0.00 176.91 178.26 3ek1 h ILE 164 N 0.00 1.49 -0.05 -1.22 2.04 -1.38 -3.28 117.51 115.11 3ek1 h ILE 164 Ca -0.00 -2.49 -0.12 0.00 1.00 0.00 0.00 64.86 63.25 3ek1 h ILE 164 Cb 0.47 3.16 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 3ek1 h ILE 164 CO 0.02 0.69 -0.53 0.71 0.00 0.00 0.00 178.15 179.05 3ek1 h THR 165 N -0.48 1.37 -0.00 -0.27 1.35 -1.27 -0.53 112.91 113.07 3ek1 h THR 165 Ca -0.14 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 3ek1 h THR 165 Cb 1.55 1.92 -0.00 0.00 -1.73 0.00 0.00 68.15 69.89 3ek1 h THR 165 CO 0.11 0.53 0.01 0.03 -0.25 0.00 0.00 175.52 175.95 3ek1 h ARG 166 N 0.10 0.00 0.00 4.72 3.08 -1.31 0.05 114.38 121.03 3ek1 h ARG 166 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 3ek1 h ARG 166 Cb 0.96 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 3ek1 h ARG 166 CO 0.08 0.00 -2.26 1.63 -1.07 0.00 0.00 179.97 178.34 3ek1 n LYS 167 N -3.35 0.51 0.05 0.04 5.02 -1.00 -4.55 118.16 114.88 3ek1 n LYS 167 Ca -0.03 0.18 -0.11 0.00 -2.02 0.00 0.00 58.31 56.33 3ek1 n LYS 167 Cb 0.08 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.49 0.52 0.32 7.82 0.00 -1.04 -2.70 119.26 123.69 3ek1 h ALA 168 Ca -0.54 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 53.72 3ek1 h ALA 168 Cb 1.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 3ek1 h ALA 168 CO -0.24 0.78 -0.19 0.00 0.00 0.00 0.00 179.25 179.59 3ek1 h ALA 169 N 0.87 -0.48 -0.31 0.00 0.00 -1.18 -0.83 119.26 117.33 3ek1 h ALA 169 Ca -0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 169 Cb 1.38 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 3ek1 h ALA 169 CO 0.14 -0.78 -0.25 -1.00 0.00 0.00 0.00 179.25 177.36 3ek1 h PRO 170 N -0.49 0.61 0.78 0.00 0.13 -1.75 -1.30 132.00 129.99 3ek1 h PRO 170 Ca -0.03 -0.24 -0.04 0.00 -0.87 0.00 0.00 66.00 64.82 3ek1 h PRO 170 Cb 0.40 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.51 3ek1 h PRO 170 CO 0.04 0.81 -0.39 0.00 -0.23 0.00 0.00 178.00 178.22 3ek1 h ALA 171 N 1.19 -1.08 -0.80 -0.56 0.00 -1.36 -0.71 119.26 115.95 3ek1 h ALA 171 Ca 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 171 Cb 0.71 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3ek1 h ALA 171 CO 0.05 -1.11 0.52 -0.07 0.00 0.00 0.00 179.25 178.65 3ek1 h LEU 172 N -1.07 0.89 -0.95 0.00 4.07 -1.17 -1.13 115.31 115.94 3ek1 h LEU 172 Ca -0.11 -0.02 0.08 0.00 0.08 0.00 0.00 57.88 57.91 3ek1 h LEU 172 Cb 0.83 -0.22 -0.07 0.00 1.08 0.00 0.00 40.66 42.28 3ek1 h LEU 172 CO 0.17 0.64 0.60 0.00 -1.08 0.00 0.00 178.44 178.77 3ek1 h ALA 173 N 1.31 1.35 0.00 1.53 0.00 -1.12 -2.13 119.26 120.20 3ek1 h ALA 173 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ek1 h ALA 173 Cb -0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3ek1 h ALA 173 CO -0.08 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3ek1 n ALA 174 N -2.36 1.90 0.00 0.00 0.00 -0.28 -4.68 120.51 115.09 3ek1 n ALA 174 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ek1 n ALA 174 Cb 0.22 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3ek1 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 175 N 0.52 1.04 3.92 0.00 0.00 -0.80 -4.07 105.19 105.79 3ek1 n GLY 175 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3ek1 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s THR 177 N -2.98 3.94 -0.04 0.00 -4.23 -1.11 -3.96 115.64 107.26 3ek1 s THR 177 Ca 0.54 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 59.40 3ek1 s THR 177 Cb -0.11 -3.10 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3ek1 s THR 177 CO 0.45 -0.32 0.11 -0.32 -0.54 0.00 0.00 174.62 174.00 3ek1 s MET 178 N -3.63 0.12 -0.23 3.99 0.00 0.71 -1.32 119.30 118.94 3ek1 s MET 178 Ca 0.32 0.17 -0.05 0.00 0.00 0.00 0.00 55.69 56.13 3ek1 s MET 178 Cb -0.07 0.04 -0.02 0.00 0.00 0.00 0.00 34.83 34.78 3ek1 s MET 178 CO 0.22 -0.03 -0.01 0.42 0.00 0.00 0.00 175.02 175.62 3ek1 s ILE 179 N 0.17 3.70 -0.17 10.11 1.01 -0.38 -1.73 121.20 133.91 3ek1 s ILE 179 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 3ek1 s ILE 179 Cb -0.02 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3ek1 s ILE 179 CO -0.00 0.40 -0.04 -0.69 0.00 0.00 0.00 174.94 174.61 3ek1 s VAL 180 N 1.47 3.78 -0.31 2.92 1.01 0.16 -0.28 120.40 129.15 3ek1 s VAL 180 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 3ek1 s VAL 180 Cb -0.15 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3ek1 s VAL 180 CO -0.01 0.48 0.02 -0.60 0.00 0.00 0.00 175.10 174.99 3ek1 s ARG 181 N 0.58 2.49 0.79 2.72 3.52 -0.10 -0.90 118.95 128.06 3ek1 s ARG 181 Ca -0.03 -1.23 -0.11 0.00 -0.13 0.00 0.00 55.73 54.22 3ek1 s ARG 181 Cb -0.14 -3.25 0.07 0.00 -1.56 0.00 0.00 34.95 30.07 3ek1 s ARG 181 CO 0.03 -0.63 1.15 -1.25 -0.81 0.00 0.00 175.30 173.79 3ek1 s PRO 182 N 1.29 2.09 0.27 5.12 0.04 -1.25 -2.67 135.00 139.88 3ek1 s PRO 182 Ca -0.04 0.11 -0.29 0.00 0.04 0.00 0.00 61.00 60.81 3ek1 s PRO 182 Cb -0.20 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.27 3ek1 s PRO 182 CO -0.00 -1.49 1.15 0.00 0.04 0.00 0.00 177.00 176.70 3ek1 s ALA 183 N -3.51 3.43 0.33 8.56 0.00 -1.02 -4.86 121.76 124.69 3ek1 s ALA 183 Ca 0.61 0.96 0.11 0.00 0.00 0.00 0.00 51.96 53.64 3ek1 s ALA 183 Cb -0.11 -3.37 0.92 0.00 0.00 0.00 0.00 23.12 20.56 3ek1 s ALA 183 CO 0.49 -0.28 1.73 -0.44 0.00 0.00 0.00 175.76 177.26 3ek1 h ASP 184 N 4.06 0.64 0.77 0.00 3.32 -1.91 -0.36 116.42 122.96 3ek1 h ASP 184 Ca -0.47 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3ek1 h ASP 184 Cb 1.21 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ek1 h ASP 184 CO 0.68 0.09 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.12 3ek1 h LEU 185 N 0.55 0.00 -5.36 1.55 3.38 -1.94 -3.37 115.31 110.12 3ek1 h LEU 185 Ca 0.64 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.24 3ek1 h LEU 185 Cb 1.28 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.68 3ek1 h LEU 185 CO -0.46 0.11 -1.02 0.35 0.09 0.00 0.00 178.44 177.51 3ek1 n THR 186 N -3.31 0.34 0.31 0.22 -2.24 -0.16 -4.74 114.28 104.70 3ek1 n THR 186 Ca -0.00 -3.26 0.12 0.00 -2.27 0.00 0.00 64.05 58.64 3ek1 n THR 186 Cb 0.32 0.46 0.23 0.00 -2.10 0.00 0.00 70.33 69.23 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 2.88 0.00 -0.02 -0.78 0.13 -1.69 -3.35 132.00 129.17 3ek1 h PRO 187 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 3ek1 h PRO 187 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 3ek1 h PRO 187 CO 0.39 0.00 -0.70 -0.07 -0.23 0.00 0.00 178.00 177.39 3ek1 h LEU 188 N 0.00 0.13 -1.18 1.56 3.38 -1.92 -2.06 115.31 115.23 3ek1 h LEU 188 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ek1 h LEU 188 Cb 0.94 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3ek1 h LEU 188 CO 0.00 0.79 0.38 0.74 0.09 0.00 0.00 178.44 180.43 3ek1 h THR 189 N 0.07 1.20 -0.42 0.22 2.02 -1.85 -1.75 112.91 112.40 3ek1 h THR 189 Ca -0.01 -0.51 -0.12 0.00 0.77 0.00 0.00 66.41 66.54 3ek1 h THR 189 Cb 1.25 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3ek1 h THR 189 CO 0.10 0.23 -0.19 0.00 0.37 0.00 0.00 175.52 176.03 3ek1 h ALA 190 N 1.46 0.59 -0.54 6.16 0.00 -1.52 -2.35 119.26 123.07 3ek1 h ALA 190 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3ek1 h ALA 190 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ek1 h ALA 190 CO -0.04 0.55 0.04 -0.07 0.00 0.00 0.00 179.25 179.73 3ek1 h LEU 191 N 0.70 0.84 -0.74 0.00 3.38 -1.14 -1.32 115.31 117.04 3ek1 h LEU 191 Ca 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3ek1 h LEU 191 Cb 0.75 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3ek1 h LEU 191 CO 0.06 0.88 0.26 0.00 0.09 0.00 0.00 178.44 179.73 3ek1 h ALA 192 N 1.21 0.96 -0.51 1.53 0.00 -1.07 0.13 119.26 121.50 3ek1 h ALA 192 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 192 Cb 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3ek1 h ALA 192 CO 0.02 0.62 0.22 -0.07 0.00 0.00 0.00 179.25 180.04 3ek1 h LEU 193 N 1.08 0.65 -0.42 0.00 3.38 -0.93 -1.94 115.31 117.14 3ek1 h LEU 193 Ca 0.24 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3ek1 h LEU 193 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ek1 h LEU 193 CO -0.01 0.58 0.04 1.23 0.09 0.00 0.00 178.44 180.37 3ek1 h GLY 194 N 0.85 0.76 0.41 0.83 0.00 -0.08 0.73 103.07 106.56 3ek1 h GLY 194 Ca 0.18 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 47.05 3ek1 h GLY 194 CO -0.02 0.49 0.06 -2.08 0.00 0.00 0.00 176.54 174.98 3ek1 h VAL 195 N 0.55 0.74 0.00 4.60 2.07 -0.41 -1.68 116.25 122.12 3ek1 h VAL 195 Ca 0.12 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3ek1 h VAL 195 Cb 0.42 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3ek1 h VAL 195 CO 0.01 0.03 -0.27 -0.07 0.02 0.00 0.00 177.57 177.30 3ek1 h LEU 196 N 0.18 0.00 -0.13 2.57 3.38 -0.90 -2.26 115.31 118.15 3ek1 h LEU 196 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3ek1 h LEU 196 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3ek1 h LEU 196 CO -0.30 0.27 -0.07 0.00 0.09 0.00 0.00 178.44 178.43 3ek1 h ALA 197 N 1.73 0.18 -0.07 1.53 0.00 -0.06 -0.55 119.26 122.02 3ek1 h ALA 197 Ca -0.00 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3ek1 h ALA 197 Cb 0.63 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3ek1 h ALA 197 CO 0.04 -0.02 -0.36 0.93 0.00 0.00 0.00 179.25 179.84 3ek1 h GLU 198 N -0.08 -0.45 -0.43 0.00 5.08 -1.24 -2.03 114.58 115.44 3ek1 h GLU 198 Ca 0.03 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.54 3ek1 h GLU 198 Cb 0.55 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3ek1 h GLU 198 CO 0.02 -0.30 0.31 -0.22 -1.00 0.00 0.00 179.01 177.82 3ek1 h LYS 199 N -0.47 0.00 0.00 2.33 1.63 -1.10 -0.47 116.57 118.49 3ek1 h LYS 199 Ca 0.07 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 3ek1 h LYS 199 Cb 0.58 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 3ek1 h LYS 199 CO -0.33 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.67 3ek1 n ALA 200 N -2.62 2.02 -0.43 5.00 0.00 -0.24 -4.92 120.51 119.33 3ek1 n ALA 200 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ek1 n ALA 200 Cb 0.51 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 0.78 0.78 3.66 0.00 0.00 -0.18 -4.72 105.19 105.52 3ek1 n GLY 201 Ca 0.05 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 3.27 0.62 -0.61 1.01 -0.99 -4.94 121.20 117.56 3ek1 s ILE 202 Ca 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.84 3ek1 s ILE 202 Cb 0.00 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3ek1 s ILE 202 CO 0.00 -0.03 1.20 -2.84 0.00 0.00 0.00 174.94 173.27 3ek1 s PRO 203 N 4.13 2.84 -0.37 2.79 0.02 -1.26 -4.56 135.00 138.60 3ek1 s PRO 203 Ca 0.80 1.79 -0.45 0.00 0.02 0.00 0.00 61.00 63.17 3ek1 s PRO 203 Cb -0.38 -1.92 -0.19 0.00 0.02 0.00 0.00 34.50 32.03 3ek1 s PRO 203 CO 0.35 -1.30 1.52 0.00 -0.33 0.00 0.00 177.00 177.24 3ek1 n ALA 204 N -1.80 -1.63 0.00 -1.55 0.00 -1.26 -0.50 120.51 113.77 3ek1 n ALA 204 Ca 0.13 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3ek1 n ALA 204 Cb 0.50 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 3.54 1.76 0.16 0.00 0.00 -1.26 -4.73 105.19 104.67 3ek1 n GLY 205 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 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 1.38 -3.53 1.61 2.07 -1.10 -3.36 116.25 113.31 3ek1 h VAL 206 Ca 0.00 -1.95 -0.62 0.00 0.82 0.00 0.00 66.70 64.96 3ek1 h VAL 206 Cb 0.00 2.34 -0.33 0.00 -1.52 0.00 0.00 31.29 31.78 3ek1 h VAL 206 CO 0.00 0.58 -0.86 -0.22 0.02 0.00 0.00 177.57 177.09 3ek1 s LEU 207 N -8.46 1.94 -0.00 2.57 2.96 -1.26 -0.21 118.68 116.22 3ek1 s LEU 207 Ca -0.13 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3ek1 s LEU 207 Cb 0.05 -1.18 -0.00 0.00 0.50 0.00 0.00 46.19 45.56 3ek1 s LEU 207 CO 0.83 0.13 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.88 3ek1 s GLN 208 N 0.32 0.17 -0.22 1.98 -0.21 -0.71 -4.81 119.66 116.18 3ek1 s GLN 208 Ca -0.14 -0.07 0.02 0.00 0.02 0.00 0.00 55.36 55.19 3ek1 s GLN 208 Cb -0.16 -0.17 0.04 0.00 1.00 0.00 0.00 33.01 33.73 3ek1 s GLN 208 CO 0.06 0.04 -0.13 0.42 -2.12 0.00 0.00 175.29 173.56 3ek1 s ILE 209 N -0.02 1.97 -0.07 1.08 1.01 -0.75 0.35 121.20 124.77 3ek1 s ILE 209 Ca 0.01 -1.24 0.05 0.00 0.00 0.00 0.00 60.65 59.47 3ek1 s ILE 209 Cb -0.01 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 3ek1 s ILE 209 CO -0.00 0.20 -0.22 0.68 0.00 0.00 0.00 174.94 175.59 3ek1 s VAL 210 N 1.25 2.31 0.11 2.92 -7.23 -0.08 -1.69 120.40 118.00 3ek1 s VAL 210 Ca -0.02 -0.97 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 3ek1 s VAL 210 Cb -0.17 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 3ek1 s VAL 210 CO -0.08 0.57 -0.11 0.42 -0.31 0.00 0.00 175.10 175.59 3ek1 s THR 211 N -0.17 3.32 -5.00 5.32 -4.23 -1.26 -3.91 115.64 109.70 3ek1 s THR 211 Ca -0.03 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3ek1 s THR 211 Cb -0.14 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.15 3ek1 s THR 211 CO 0.04 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3ek1 n GLY 212 N 0.65 0.08 3.72 3.99 0.00 -1.25 -1.02 105.19 111.36 3ek1 n GLY 212 Ca -0.13 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 4.33 0.12 1.61 1.02 -1.26 -4.87 119.74 118.69 3ek1 s LYS 213 Ca 0.00 2.08 -0.19 0.00 0.02 0.00 0.00 55.97 57.88 3ek1 s LYS 213 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 3ek1 s LYS 213 CO 0.00 -0.41 1.74 0.00 -0.92 0.00 0.00 175.35 175.76 3ek1 h ALA 214 N 6.56 0.32 -0.02 5.17 0.00 -1.98 -1.60 119.26 127.71 3ek1 h ALA 214 Ca -0.43 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ek1 h ALA 214 Cb 1.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ek1 h ALA 214 CO 0.85 -0.17 0.00 -0.09 0.00 0.00 0.00 179.25 179.84 3ek1 h ARG 215 N 0.31 0.04 -0.18 0.00 2.43 -1.98 0.13 114.38 115.13 3ek1 h ARG 215 Ca 0.09 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3ek1 h ARG 215 Cb 0.03 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3ek1 h ARG 215 CO -0.02 0.32 0.07 0.93 -1.51 0.00 0.00 179.97 179.77 3ek1 h GLU 216 N -0.24 0.26 -0.32 0.20 3.07 -1.95 0.58 114.58 116.18 3ek1 h GLU 216 Ca 0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 3ek1 h GLU 216 Cb 0.30 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 3ek1 h GLU 216 CO 0.00 0.33 -0.19 0.82 -1.40 0.00 0.00 179.01 178.56 3ek1 h ILE 217 N 0.14 1.29 -0.95 3.13 2.04 -1.31 -2.47 117.51 119.38 3ek1 h ILE 217 Ca 0.06 -1.32 0.02 0.00 1.00 0.00 0.00 64.86 64.61 3ek1 h ILE 217 Cb 0.16 1.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3ek1 h ILE 217 CO -0.01 0.43 0.63 1.23 0.00 0.00 0.00 178.15 180.43 3ek1 h GLY 218 N 0.46 1.34 1.03 5.37 0.00 -0.65 -0.79 103.07 109.83 3ek1 h GLY 218 Ca 0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.86 3ek1 h GLY 218 CO 0.05 0.47 0.22 0.00 0.00 0.00 0.00 176.54 177.28 3ek1 h ALA 219 N 1.42 0.86 -0.43 3.60 0.00 -0.66 -1.43 119.26 122.62 3ek1 h ALA 219 Ca 0.35 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 219 Cb -0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3ek1 h ALA 219 CO -0.08 0.53 -0.31 1.49 0.00 0.00 0.00 179.25 180.88 3ek1 h GLU 220 N 0.96 0.96 -0.31 0.00 4.57 -1.00 -1.43 114.58 118.32 3ek1 h GLU 220 Ca 0.21 -0.46 -0.03 0.00 -1.18 0.00 0.00 59.36 57.90 3ek1 h GLU 220 Cb 0.28 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3ek1 h GLU 220 CO -0.01 1.13 0.07 -0.07 -1.18 0.00 0.00 179.01 178.95 3ek1 h LEU 221 N 0.80 0.41 0.00 1.64 3.38 -0.73 -0.72 115.31 120.10 3ek1 h LEU 221 Ca 0.08 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ek1 h LEU 221 Cb 0.90 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ek1 h LEU 221 CO 0.08 0.43 -1.16 0.35 0.09 0.00 0.00 178.44 178.23 3ek1 n THR 222 N -4.36 0.04 -0.04 0.22 -2.24 -0.58 -4.10 114.28 103.23 3ek1 n THR 222 Ca 0.01 -0.16 0.02 0.00 -2.27 0.00 0.00 64.05 61.65 3ek1 n THR 222 Cb 0.18 0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 68.80 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 -1.77 0.11 -4.66 3.42 3.41 -0.55 -4.48 113.62 109.10 3ek1 n SER 223 Ca 0.02 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.25 3ek1 n SER 223 Cb 0.40 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.71 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 -5.05 6.79 0.50 4.04 3.84 -0.29 -4.90 114.94 119.86 3ek1 s ASN 224 Ca -0.08 2.03 0.28 0.00 0.21 0.00 0.00 52.86 55.30 3ek1 s ASN 224 Cb 0.10 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.63 3ek1 s ASN 224 CO 0.87 -0.84 1.86 0.44 -2.79 0.00 0.00 177.10 176.63 3ek1 h ASP 225 N 8.87 0.13 -0.38 -4.21 5.19 -1.92 -2.47 116.42 121.64 3ek1 h ASP 225 Ca -0.34 0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 55.96 3ek1 h ASP 225 Cb 1.15 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 3ek1 h ASP 225 CO 0.95 0.04 -0.20 0.74 -3.12 0.00 0.00 179.24 177.65 3ek1 h THR 226 N 0.13 1.27 -2.59 0.35 2.02 -1.96 -3.41 112.91 108.72 3ek1 h THR 226 Ca 0.47 -1.34 -0.54 0.00 0.77 0.00 0.00 66.41 65.77 3ek1 h THR 226 Cb 1.63 1.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 3ek1 h THR 226 CO -0.07 0.45 1.09 -0.69 0.37 0.00 0.00 175.52 176.68 3ek1 s VAL 227 N -4.66 3.41 -0.49 3.16 1.01 -0.93 -4.33 120.40 117.57 3ek1 s VAL 227 Ca -0.10 0.57 0.11 0.00 0.00 0.00 0.00 61.98 62.55 3ek1 s VAL 227 Cb 0.13 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 33.02 3ek1 s VAL 227 CO 0.85 -0.04 0.45 0.54 0.00 0.00 0.00 175.10 176.90 3ek1 n ARG 228 N 6.93 3.39 -3.66 2.72 5.12 -0.49 -4.93 116.66 125.75 3ek1 n ARG 228 Ca 0.17 -0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.97 3ek1 n ARG 228 Cb 0.42 -1.01 -0.08 0.00 -1.16 0.00 0.00 32.46 30.63 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3ek1 s LYS 229 N -2.03 0.71 -0.06 5.56 2.20 -1.24 -2.59 119.74 122.29 3ek1 s LYS 229 Ca 0.04 0.95 0.05 0.00 -0.36 0.00 0.00 55.97 56.65 3ek1 s LYS 229 Cb 0.08 0.29 -0.01 0.00 -1.51 0.00 0.00 37.83 36.68 3ek1 s LYS 229 CO 0.44 -0.11 -0.22 -1.17 -0.36 0.00 0.00 175.35 173.93 3ek1 s LEU 230 N 0.67 2.24 -0.13 5.43 2.96 -0.56 -1.41 118.68 127.89 3ek1 s LEU 230 Ca -0.03 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.46 3ek1 s LEU 230 Cb -0.05 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.23 3ek1 s LEU 230 CO -0.04 0.25 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.48 3ek1 s SER 231 N -0.19 2.93 -0.01 3.68 0.15 0.37 -1.12 113.70 119.52 3ek1 s SER 231 Ca -0.02 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.11 3ek1 s SER 231 Cb -0.14 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.82 3ek1 s SER 231 CO 0.03 0.07 -0.12 0.12 1.20 0.00 0.00 173.24 174.54 3ek1 s PHE 232 N 0.84 1.11 -0.09 3.44 5.36 -0.68 -0.42 117.98 127.54 3ek1 s PHE 232 Ca -0.07 -0.23 0.02 0.00 -0.96 0.00 0.00 56.93 55.69 3ek1 s PHE 232 Cb -0.15 -0.73 0.01 0.00 -0.34 0.00 0.00 43.02 41.81 3ek1 s PHE 232 CO -0.01 -0.04 -0.13 0.99 -1.46 0.00 0.00 175.22 174.56 3ek1 s THR 233 N -0.21 1.31 -4.43 0.12 2.01 -0.77 -1.49 115.64 112.19 3ek1 s THR 233 Ca 0.03 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3ek1 s THR 233 Cb -0.06 -1.21 0.00 0.00 0.01 0.00 0.00 72.50 71.24 3ek1 s THR 233 CO -0.00 0.40 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3ek1 n GLY 234 N 4.11 -0.52 3.77 4.40 0.00 -0.83 -3.56 105.19 112.55 3ek1 n GLY 234 Ca -0.20 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 3ek1 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 235 N -4.00 6.21 0.29 1.61 1.04 -1.26 -3.80 113.70 113.79 3ek1 s SER 235 Ca 0.00 2.37 0.02 0.00 0.48 0.00 0.00 55.95 58.82 3ek1 s SER 235 Cb 0.00 -2.61 0.56 0.00 0.10 0.00 0.00 66.02 64.07 3ek1 s SER 235 CO 0.00 -0.89 1.85 0.74 0.98 0.00 0.00 173.24 175.92 3ek1 h THR 236 N 2.01 0.95 -0.06 2.02 2.02 -1.91 0.74 112.91 118.68 3ek1 h THR 236 Ca -0.49 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.35 3ek1 h THR 236 Cb 1.25 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3ek1 h THR 236 CO 0.61 0.18 0.01 -0.33 0.37 0.00 0.00 175.52 176.36 3ek1 h GLU 237 N 0.99 0.03 -0.44 6.66 3.07 -1.98 0.22 114.58 123.13 3ek1 h GLU 237 Ca 0.47 -0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.23 3ek1 h GLU 237 Cb 0.44 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3ek1 h GLU 237 CO -0.23 0.02 -0.13 0.28 -1.40 0.00 0.00 179.01 177.55 3ek1 h VAL 238 N 0.04 1.26 -0.58 3.13 2.07 -1.84 -2.79 116.25 117.54 3ek1 h VAL 238 Ca 0.02 -1.21 0.11 0.00 0.82 0.00 0.00 66.70 66.44 3ek1 h VAL 238 Cb 0.02 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.76 3ek1 h VAL 238 CO -0.03 0.42 0.12 1.23 0.02 0.00 0.00 177.57 179.32 3ek1 h GLY 239 N 0.97 0.73 1.15 2.17 0.00 -0.01 -0.38 103.07 107.71 3ek1 h GLY 239 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 3ek1 h GLY 239 CO 0.04 -0.11 0.42 3.21 0.00 0.00 0.00 176.54 180.10 3ek1 h ARG 240 N 0.25 1.11 -0.23 4.80 3.08 -0.78 -1.03 114.38 121.58 3ek1 h ARG 240 Ca 0.30 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 60.02 3ek1 h ARG 240 Cb 0.44 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3ek1 h ARG 240 CO -0.39 0.82 -0.64 -0.07 -1.07 0.00 0.00 179.97 178.62 3ek1 h LEU 241 N 1.11 0.94 -0.51 3.04 3.38 -1.16 -3.04 115.31 119.07 3ek1 h LEU 241 Ca 0.28 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3ek1 h LEU 241 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ek1 h LEU 241 CO -0.04 1.34 0.00 -0.07 0.09 0.00 0.00 178.44 179.76 3ek1 h LEU 242 N 0.60 0.88 -0.84 1.67 3.38 -0.60 -0.49 115.31 119.92 3ek1 h LEU 242 Ca -0.01 -0.31 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3ek1 h LEU 242 Cb 1.26 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3ek1 h LEU 242 CO 0.14 0.97 0.53 -0.03 0.09 0.00 0.00 178.44 180.14 3ek1 h MET 243 N 0.76 0.99 -0.14 1.13 4.05 -1.26 -0.73 114.93 119.73 3ek1 h MET 243 Ca 0.14 -0.06 -0.17 0.00 -0.28 0.00 0.00 59.70 59.34 3ek1 h MET 243 Cb 0.52 -0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 3ek1 h MET 243 CO 0.03 0.66 -0.61 0.00 0.23 0.00 0.00 176.91 177.21 3ek1 h ALA 244 N 1.36 0.69 -0.01 0.39 0.00 -1.38 -2.49 119.26 117.83 3ek1 h ALA 244 Ca 0.34 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3ek1 h ALA 244 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3ek1 h ALA 244 CO -0.13 0.71 -0.29 1.96 0.00 0.00 0.00 179.25 181.50 3ek1 h GLN 245 N 0.35 0.01 0.00 0.00 4.20 -0.73 -2.76 115.11 116.19 3ek1 h GLN 245 Ca -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3ek1 h GLN 245 Cb 1.16 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3ek1 h GLN 245 CO 0.11 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.57 3ek1 h ALA 247 N 2.22 0.96 0.00 0.00 0.00 -1.22 -2.06 119.26 119.16 3ek1 h ALA 247 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3ek1 h ALA 247 Cb 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 247 CO 0.00 0.47 0.00 -1.35 0.00 0.00 0.00 179.25 178.37 3ek1 h PRO 248 N 1.03 0.00 0.00 0.00 0.11 -1.76 -2.05 132.00 129.33 3ek1 h PRO 248 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3ek1 h PRO 248 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 3ek1 h PRO 248 CO -0.04 0.00 -0.13 0.25 -0.21 0.00 0.00 178.00 177.87 3ek1 n THR 249 N -2.83 1.07 -3.92 -1.15 -2.24 -1.07 -5.01 114.28 99.13 3ek1 n THR 249 Ca -0.02 -1.24 -0.28 0.00 -2.27 0.00 0.00 64.05 60.23 3ek1 n THR 249 Cb 0.06 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 3ek1 n THR 249 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3ek1 n ILE 250 N -0.77 -2.74 -2.20 2.28 2.08 -0.77 -4.89 119.36 112.35 3ek1 n ILE 250 Ca 0.08 -0.24 -0.41 0.00 0.56 0.00 0.00 62.75 62.74 3ek1 n ILE 250 Cb 0.57 -2.86 -0.03 0.00 -0.75 0.00 0.00 39.64 36.57 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 -6.49 4.42 0.54 0.38 1.02 -0.94 -4.99 119.74 113.69 3ek1 s LYS 251 Ca 0.36 2.11 -0.22 0.00 0.02 0.00 0.00 55.97 58.24 3ek1 s LYS 251 Cb -0.18 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3ek1 s LYS 251 CO 0.85 -0.11 1.35 0.54 -0.92 0.00 0.00 175.35 177.07 3ek1 n ARG 252 N 1.08 1.69 -3.75 1.68 5.12 -1.07 -4.90 116.66 116.51 3ek1 n ARG 252 Ca 0.00 0.62 -0.12 0.00 -1.93 0.00 0.00 57.85 56.42 3ek1 n ARG 252 Cb 0.42 -2.57 -0.12 0.00 -1.16 0.00 0.00 32.46 29.04 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 -1.29 -0.02 -0.06 0.55 2.07 -1.26 -1.49 121.20 119.71 3ek1 s ILE 253 Ca 0.71 0.07 0.06 0.00 -1.41 0.00 0.00 60.65 60.08 3ek1 s ILE 253 Cb -0.42 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 3ek1 s ILE 253 CO 0.49 0.03 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.87 3ek1 s SER 254 N 0.73 3.18 -0.02 4.50 0.01 -0.27 -4.76 113.70 117.06 3ek1 s SER 254 Ca -0.05 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 3ek1 s SER 254 Cb -0.06 -0.81 0.03 0.00 0.21 0.00 0.00 66.02 65.38 3ek1 s SER 254 CO -0.05 0.26 0.04 -0.76 0.41 0.00 0.00 173.24 173.14 3ek1 s LEU 255 N -0.24 1.21 -0.18 2.44 1.43 -0.67 -1.69 118.68 120.98 3ek1 s LEU 255 Ca -0.01 0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.16 3ek1 s LEU 255 Cb -0.13 0.02 0.05 0.00 0.03 0.00 0.00 46.19 46.15 3ek1 s LEU 255 CO 0.03 -0.11 -0.04 -0.70 0.23 0.00 0.00 176.35 175.76 3ek1 s GLU 256 N 0.86 1.36 0.00 1.70 2.12 -0.56 -0.87 118.70 123.31 3ek1 s GLU 256 Ca -0.07 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3ek1 s GLU 256 Cb -0.10 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.14 3ek1 s GLU 256 CO -0.03 -0.50 0.00 1.28 -0.54 0.00 0.00 175.26 175.47 3ek1 n LEU 257 N 4.86 0.00 -4.65 2.70 4.77 0.35 -1.97 117.00 123.04 3ek1 n LEU 257 Ca -0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.56 3ek1 n LEU 257 Cb 0.47 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.73 3ek1 n LEU 257 CO 0.16 0.00 0.65 -0.83 -1.33 0.00 0.00 177.39 176.05 3ek1 s GLY 258 N 0.00 1.66 0.39 -0.72 0.00 -1.25 -4.84 107.32 102.56 3ek1 s GLY 258 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 44.72 45.18 3ek1 s GLY 258 CO 0.00 0.88 0.16 -0.32 0.00 0.00 0.00 173.10 173.82 3ek1 s GLY 259 N -2.75 2.56 -0.45 0.20 0.00 -1.26 -4.37 107.32 101.25 3ek1 s GLY 259 Ca 0.66 -1.39 0.04 0.00 0.00 0.00 0.00 44.72 44.03 3ek1 s GLY 259 CO 0.59 -1.75 1.00 -2.01 0.00 0.00 0.00 173.10 170.93 3ek1 n ASN 260 N -1.36 -2.48 -4.62 1.64 5.15 -1.26 -4.62 115.26 107.70 3ek1 n ASN 260 Ca -0.03 -3.03 -0.43 0.00 -0.60 0.00 0.00 54.58 50.49 3ek1 n ASN 260 Cb 0.64 1.62 -0.03 0.00 -0.53 0.00 0.00 39.78 41.49 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 0.51 3.18 0.30 5.20 0.00 -1.26 -4.84 121.76 124.85 3ek1 s ALA 261 Ca 0.29 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 3ek1 s ALA 261 Cb 0.24 -3.89 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 3ek1 s ALA 261 CO -0.19 -2.11 1.04 -1.25 0.00 0.00 0.00 175.76 173.25 3ek1 s PRO 262 N 4.90 4.58 -0.23 0.00 0.04 -1.26 -0.83 135.00 142.20 3ek1 s PRO 262 Ca 0.73 1.63 0.01 0.00 0.04 0.00 0.00 61.00 63.41 3ek1 s PRO 262 Cb -0.24 -3.03 0.06 0.00 0.04 0.00 0.00 34.50 31.33 3ek1 s PRO 262 CO 0.31 0.21 -0.07 0.12 0.04 0.00 0.00 177.00 177.60 3ek1 s PHE 263 N -1.32 2.54 -0.18 0.56 5.36 0.30 -0.75 117.98 124.49 3ek1 s PHE 263 Ca 0.47 -1.83 -0.02 0.00 -0.96 0.00 0.00 56.93 54.59 3ek1 s PHE 263 Cb -0.27 -1.64 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3ek1 s PHE 263 CO 0.34 -0.79 -0.08 0.42 -1.46 0.00 0.00 175.22 173.65 3ek1 s ILE 264 N 1.35 3.26 -0.27 3.12 1.01 0.11 -0.11 121.20 129.67 3ek1 s ILE 264 Ca -0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 3ek1 s ILE 264 Cb -0.19 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.88 3ek1 s ILE 264 CO -0.06 0.48 -0.02 -0.69 0.00 0.00 0.00 174.94 174.64 3ek1 s VAL 265 N 0.91 3.08 0.39 2.92 1.01 0.14 -0.25 120.40 128.60 3ek1 s VAL 265 Ca -0.02 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 3ek1 s VAL 265 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 3ek1 s VAL 265 CO 0.00 0.11 0.65 -0.36 0.00 0.00 0.00 175.10 175.50 3ek1 s PHE 266 N 1.34 3.52 0.37 5.22 0.08 -0.92 -0.60 117.98 126.98 3ek1 s PHE 266 Ca -0.01 0.60 0.12 0.00 0.12 0.00 0.00 56.93 57.76 3ek1 s PHE 266 Cb -0.17 -2.11 0.91 0.00 -0.57 0.00 0.00 43.02 41.08 3ek1 s PHE 266 CO -0.03 -0.04 1.83 -0.44 -0.10 0.00 0.00 175.22 176.45 3ek1 h ASP 267 N 0.70 0.59 -0.64 1.36 3.32 -1.89 0.17 116.42 120.04 3ek1 h ASP 267 Ca -0.48 0.06 -0.27 0.00 0.02 0.00 0.00 57.03 56.36 3ek1 h ASP 267 Cb 1.21 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 3ek1 h ASP 267 CO 0.62 0.24 0.34 -0.90 -1.72 0.00 0.00 179.24 177.83 3ek1 n ASP 268 N -4.60 3.82 -4.78 6.45 5.75 -1.26 -4.87 116.55 117.05 3ek1 n ASP 268 Ca 0.20 -3.03 -0.34 0.00 -0.01 0.00 0.00 54.79 51.61 3ek1 n ASP 268 Cb 0.61 -0.72 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek1 s ALA 269 N -2.37 2.69 -0.56 2.12 0.00 0.58 -2.71 121.76 121.51 3ek1 s ALA 269 Ca 0.41 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 3ek1 s ALA 269 Cb 0.34 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.11 3ek1 s ALA 269 CO 0.09 -0.80 2.14 0.34 0.00 0.00 0.00 175.76 177.52 3ek1 s ASP 270 N -2.21 4.83 0.31 0.00 -1.08 -1.26 -4.87 116.67 112.40 3ek1 s ASP 270 Ca 0.68 0.68 0.07 0.00 -0.52 0.00 0.00 52.55 53.46 3ek1 s ASP 270 Cb -0.20 -2.52 0.50 0.00 -1.46 0.00 0.00 42.92 39.24 3ek1 s ASP 270 CO 0.31 -2.66 1.73 0.25 0.52 0.00 0.00 175.17 175.32 3ek1 h LEU 271 N 18.12 0.23 -0.25 -1.34 5.85 -1.94 -0.68 115.31 135.30 3ek1 h LEU 271 Ca -0.24 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 3ek1 h LEU 271 Cb 1.21 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3ek1 h LEU 271 CO 1.19 0.60 -0.27 0.44 -0.34 0.00 0.00 178.44 180.06 3ek1 h ASP 272 N 0.19 0.67 -0.77 1.25 3.32 -2.00 -1.60 116.42 117.48 3ek1 h ASP 272 Ca 0.02 -0.48 0.14 0.00 0.02 0.00 0.00 57.03 56.73 3ek1 h ASP 272 Cb 0.76 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 3ek1 h ASP 272 CO 0.06 1.01 0.32 0.00 -1.72 0.00 0.00 179.24 178.92 3ek1 h ALA 273 N 0.67 1.10 -0.57 3.45 0.00 -1.87 -1.90 119.26 120.13 3ek1 h ALA 273 Ca 0.04 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 273 Cb 0.83 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3ek1 h ALA 273 CO 0.07 -0.19 0.09 0.00 0.00 0.00 0.00 179.25 179.21 3ek1 h ALA 274 N 1.55 0.76 -0.75 0.00 0.00 -0.87 -1.08 119.26 118.87 3ek1 h ALA 274 Ca 0.42 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 274 Cb 0.63 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ek1 h ALA 274 CO -0.40 0.51 0.31 0.28 0.00 0.00 0.00 179.25 179.96 3ek1 h VAL 275 N 0.85 1.25 -0.49 0.00 2.07 -0.84 -0.27 116.25 118.82 3ek1 h VAL 275 Ca 0.17 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3ek1 h VAL 275 Cb 0.42 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3ek1 h VAL 275 CO 0.01 0.32 0.27 0.44 0.02 0.00 0.00 177.57 178.63 3ek1 h ASP 276 N 1.08 0.62 -0.03 0.57 3.32 -0.81 -0.49 116.42 120.68 3ek1 h ASP 276 Ca 0.25 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 3ek1 h ASP 276 Cb 0.20 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ek1 h ASP 276 CO -0.02 0.53 -0.30 1.23 -1.72 0.00 0.00 179.24 178.96 3ek1 h GLY 277 N 0.65 0.52 0.90 2.75 0.00 -1.07 -0.93 103.07 105.89 3ek1 h GLY 277 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3ek1 h GLY 277 CO -0.03 0.41 0.09 0.00 0.00 0.00 0.00 176.54 177.01 3ek1 h ALA 278 N 1.26 0.38 -0.34 3.60 0.00 -0.70 -0.82 119.26 122.64 3ek1 h ALA 278 Ca 0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ek1 h ALA 278 Cb 0.74 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ek1 h ALA 278 CO 0.06 0.02 0.20 0.52 0.00 0.00 0.00 179.25 180.05 3ek1 h MET 279 N 0.30 0.45 -0.42 0.00 2.07 -0.69 0.21 114.93 116.85 3ek1 h MET 279 Ca 0.09 -0.04 -0.14 0.00 -2.07 0.00 0.00 59.70 57.55 3ek1 h MET 279 Cb 0.25 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 3ek1 h MET 279 CO -0.00 0.34 -0.28 0.28 1.07 0.00 0.00 176.91 178.32 3ek1 h VAL 280 N 0.44 1.27 0.00 -2.22 2.07 -1.05 -1.04 116.25 115.71 3ek1 h VAL 280 Ca 0.12 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.20 3ek1 h VAL 280 Cb 0.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3ek1 h VAL 280 CO -0.02 0.49 -0.67 -1.54 0.02 0.00 0.00 177.57 175.85 3ek1 n SER 281 N -4.09 0.65 -0.05 0.57 3.41 -0.33 -3.03 113.62 110.75 3ek1 n SER 281 Ca -0.01 0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.40 3ek1 n SER 281 Cb 0.48 0.27 -0.13 0.00 -0.26 0.00 0.00 64.21 64.58 3ek1 n SER 281 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3ek1 n LYS 282 N -1.99 0.68 -0.01 4.33 3.00 0.71 -1.72 118.16 123.17 3ek1 n LYS 282 Ca 0.03 0.37 0.09 0.00 -0.00 0.00 0.00 58.31 58.80 3ek1 n LYS 282 Cb 0.42 -1.70 -0.14 0.00 0.00 0.00 0.00 35.03 33.61 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 -3.84 0.00 -1.63 5.64 4.01 -0.40 -3.04 117.16 117.89 3ek1 n TYR 283 Ca -0.34 0.00 -0.48 0.00 -0.16 0.00 0.00 57.90 56.92 3ek1 n TYR 283 Cb 0.91 -0.35 -0.04 0.00 -0.31 0.00 0.00 39.34 39.55 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 -2.02 1.65 -2.19 -0.72 0.63 -1.17 -1.26 116.66 111.58 3ek1 n ARG 284 Ca -0.02 0.59 -0.17 0.00 -0.92 0.00 0.00 57.85 57.33 3ek1 n ARG 284 Cb 0.46 -2.25 -0.02 0.00 0.45 0.00 0.00 32.46 31.10 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 2.63 -5.02 -2.55 6.15 5.15 -1.26 -1.99 115.26 118.37 3ek1 n ASN 285 Ca 0.16 0.06 -0.20 0.00 -0.60 0.00 0.00 54.58 54.00 3ek1 n ASN 285 Cb 0.26 -4.10 -0.00 0.00 -0.53 0.00 0.00 39.78 35.40 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 -1.30 -0.73 -1.06 5.20 0.00 -0.39 -1.58 120.51 120.65 3ek1 n ALA 286 Ca -0.20 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.40 3ek1 n ALA 286 Cb 0.64 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 3ek1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 287 N -1.07 0.54 2.06 0.00 0.00 -0.84 -1.93 105.19 103.95 3ek1 n GLY 287 Ca -0.20 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.45 2.34 -3.96 1.61 6.02 -0.61 -2.81 117.38 117.51 3ek1 n GLN 288 Ca -0.02 -3.16 -0.32 0.00 -0.01 0.00 0.00 57.00 53.49 3ek1 n GLN 288 Cb 0.13 -2.15 -0.05 0.00 1.02 0.00 0.00 30.24 29.19 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 -3.71 5.18 -2.17 5.09 -4.23 -1.26 -4.77 115.64 109.77 3ek1 s THR 289 Ca 0.57 -0.32 0.28 0.00 -1.18 0.00 0.00 61.69 61.03 3ek1 s THR 289 Cb 0.47 -3.44 0.70 0.00 1.34 0.00 0.00 72.50 71.58 3ek1 s THR 289 CO 0.06 0.27 1.95 0.00 -0.54 0.00 0.00 174.62 176.36 3ek1 n VAL 291 N -0.51 0.10 -1.95 0.00 0.24 -1.26 -4.29 118.33 110.66 3ek1 n VAL 291 Ca 0.20 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 3ek1 n VAL 291 Cb 0.19 0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 33.45 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 0.63 1.02 -0.04 0.00 0.00 -0.70 -4.14 120.51 117.27 3ek1 n ALA 293 Ca 0.01 0.33 0.01 0.00 0.00 0.00 0.00 53.44 53.78 3ek1 n ALA 293 Cb 0.40 -2.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.26 3ek1 n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ek1 n ASN 294 N 5.80 0.96 -3.66 0.00 5.15 -0.01 -4.73 115.26 118.77 3ek1 n ASN 294 Ca 0.21 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 53.95 3ek1 n ASN 294 Cb 0.29 1.38 -0.17 0.00 -0.53 0.00 0.00 39.78 40.75 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 -2.83 0.18 -0.38 1.20 0.52 -0.99 -4.63 118.95 112.03 3ek1 s ARG 295 Ca -0.07 -0.01 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 3ek1 s ARG 295 Cb 0.08 -1.48 0.04 0.00 0.52 0.00 0.00 34.95 34.11 3ek1 s ARG 295 CO 0.70 -0.55 0.20 0.42 0.02 0.00 0.00 175.30 176.09 3ek1 s ILE 296 N 2.08 4.37 -0.27 1.52 1.01 -0.38 -0.54 121.20 129.01 3ek1 s ILE 296 Ca 0.03 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 3ek1 s ILE 296 Cb -0.15 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 3ek1 s ILE 296 CO -0.07 -0.27 0.28 -0.31 0.00 0.00 0.00 174.94 174.57 3ek1 s TYR 297 N 1.50 3.25 -0.06 3.97 2.02 0.85 0.42 117.35 129.29 3ek1 s TYR 297 Ca 0.01 0.28 0.05 0.00 -0.37 0.00 0.00 57.07 57.04 3ek1 s TYR 297 Cb -0.20 -2.46 -0.00 0.00 -0.40 0.00 0.00 41.96 38.90 3ek1 s TYR 297 CO 0.05 -0.16 -0.21 0.08 -1.57 0.00 0.00 175.55 173.74 3ek1 s VAL 298 N 1.81 1.75 0.47 0.71 1.01 0.17 0.27 120.40 126.60 3ek1 s VAL 298 Ca 0.11 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 61.00 3ek1 s VAL 298 Cb -0.16 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 3ek1 s VAL 298 CO 0.10 0.49 1.08 -1.58 0.00 0.00 0.00 175.10 175.19 3ek1 s GLN 299 N 0.12 3.78 0.18 2.72 0.74 0.23 -1.84 119.66 125.59 3ek1 s GLN 299 Ca -0.09 1.52 -0.27 0.00 0.05 0.00 0.00 55.36 56.58 3ek1 s GLN 299 Cb -0.14 -2.23 0.03 0.00 1.10 0.00 0.00 33.01 31.76 3ek1 s GLN 299 CO 0.04 -0.48 1.55 -0.09 -0.55 0.00 0.00 175.29 175.77 3ek1 h ARG 300 N 1.79 -0.07 -0.16 1.67 2.43 -1.45 -1.76 114.38 116.83 3ek1 h ARG 300 Ca -0.49 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.73 3ek1 h ARG 300 Cb 1.23 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 3ek1 h ARG 300 CO 0.59 -0.05 0.16 0.78 -1.51 0.00 0.00 179.97 179.94 3ek1 h GLY 301 N -0.07 0.00 -0.89 2.80 0.00 -1.92 -2.59 103.07 100.41 3ek1 h GLY 301 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3ek1 h GLY 301 CO -0.88 0.00 0.00 3.33 0.00 0.00 0.00 176.54 178.99 3ek1 n VAL 302 N -3.96 0.99 0.00 4.60 0.24 -0.73 -4.80 118.33 114.67 3ek1 n VAL 302 Ca 0.01 -1.00 -0.10 0.00 -2.04 0.00 0.00 64.34 61.22 3ek1 n VAL 302 Cb 0.28 0.50 -0.04 0.00 -1.47 0.00 0.00 33.84 33.11 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 1.41 -0.24 -0.06 6.34 3.20 -0.94 -0.98 116.97 125.70 3ek1 h TYR 303 Ca 0.00 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.66 3ek1 h TYR 303 Cb 0.66 0.12 0.02 0.00 1.54 0.00 0.00 36.73 39.07 3ek1 h TYR 303 CO 0.16 -0.15 -0.86 -0.44 -1.64 0.00 0.00 178.16 175.23 3ek1 h ASP 304 N -0.12 0.86 -0.54 -2.11 3.32 -1.87 0.07 116.42 116.03 3ek1 h ASP 304 Ca 0.08 -0.70 -0.03 0.00 0.02 0.00 0.00 57.03 56.40 3ek1 h ASP 304 Cb 0.23 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3ek1 h ASP 304 CO -0.18 1.44 0.24 0.50 -1.72 0.00 0.00 179.24 179.51 3ek1 h LYS 305 N 0.37 0.83 0.05 3.56 1.63 -1.89 -1.00 116.57 120.12 3ek1 h LYS 305 Ca -0.09 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.58 3ek1 h LYS 305 Cb 1.52 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 3ek1 h LYS 305 CO 0.17 0.68 -0.03 0.35 -3.45 0.00 0.00 179.45 177.18 3ek1 h PHE 306 N 0.83 -0.07 -0.32 1.91 3.57 -0.86 -2.10 116.94 119.90 3ek1 h PHE 306 Ca 0.20 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 3ek1 h PHE 306 Cb 0.15 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3ek1 h PHE 306 CO 0.01 0.18 0.09 0.00 -2.23 0.00 0.00 178.31 176.36 3ek1 h ALA 307 N 0.63 1.56 0.40 2.41 0.00 -0.70 -0.64 119.26 122.92 3ek1 h ALA 307 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ek1 h ALA 307 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 307 CO 0.01 0.34 -0.19 0.93 0.00 0.00 0.00 179.25 180.33 3ek1 h GLU 308 N 0.46 -0.52 -0.61 0.00 5.08 -1.10 -1.26 114.58 116.64 3ek1 h GLU 308 Ca 0.11 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3ek1 h GLU 308 Cb 0.16 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3ek1 h GLU 308 CO -0.01 -0.25 0.35 0.87 -1.00 0.00 0.00 179.01 178.98 3ek1 h LYS 309 N -0.74 0.83 -0.09 2.33 1.57 -1.09 -1.43 116.57 117.95 3ek1 h LYS 309 Ca -0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3ek1 h LYS 309 Cb 0.51 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3ek1 h LYS 309 CO 0.09 0.59 0.02 1.25 -0.57 0.00 0.00 179.45 180.83 3ek1 h LEU 310 N 0.84 0.14 -1.24 2.94 5.85 -1.04 -2.97 115.31 119.83 3ek1 h LEU 310 Ca 0.22 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.77 3ek1 h LEU 310 Cb -0.01 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 3ek1 h LEU 310 CO -0.04 0.34 0.55 0.00 -0.34 0.00 0.00 178.44 178.95 3ek1 h ALA 311 N 0.80 1.62 -0.70 1.25 0.00 -0.50 0.49 119.26 122.21 3ek1 h ALA 311 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 311 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3ek1 h ALA 311 CO 0.00 0.24 0.41 0.00 0.00 0.00 0.00 179.25 179.90 3ek1 h ALA 312 N 1.56 1.40 0.15 0.00 0.00 -1.20 -2.09 119.26 119.08 3ek1 h ALA 312 Ca 0.37 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 312 Cb 0.29 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ek1 h ALA 312 CO -0.14 0.51 -1.10 0.87 0.00 0.00 0.00 179.25 179.39 3ek1 h LYS 313 N 0.97 0.48 0.00 0.00 1.79 -0.88 -3.29 116.57 115.63 3ek1 h LYS 313 Ca 0.25 -0.72 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 3ek1 h LYS 313 Cb -0.02 0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3ek1 h LYS 313 CO -0.05 1.33 -0.11 0.28 -1.08 0.00 0.00 179.45 179.82 3ek1 h VAL 314 N -0.01 0.84 -0.18 0.50 2.07 -0.86 -2.28 116.25 116.33 3ek1 h VAL 314 Ca -0.18 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 66.79 3ek1 h VAL 314 Cb 1.83 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3ek1 h VAL 314 CO 0.21 0.11 -0.48 0.50 0.02 0.00 0.00 177.57 177.93 3ek1 h LYS 315 N 0.00 0.46 0.00 1.57 3.11 -1.45 -3.16 116.57 117.11 3ek1 h LYS 315 Ca -0.00 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 3ek1 h LYS 315 Cb 0.23 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 3ek1 h LYS 315 CO 0.01 0.84 0.00 0.39 -2.81 0.00 0.00 179.45 177.89 3ek1 n GLU 316 N -3.99 0.31 -2.59 1.90 1.02 -0.86 -4.85 120.64 111.59 3ek1 n GLU 316 Ca -0.02 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 3ek1 n GLU 316 Cb 0.55 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.45 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 -2.46 4.15 -0.33 -4.62 1.43 -1.19 -4.99 118.68 110.67 3ek1 s LEU 317 Ca 0.19 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 54.55 3ek1 s LEU 317 Cb 0.12 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3ek1 s LEU 317 CO 0.26 -0.66 0.89 -0.75 0.23 0.00 0.00 176.35 176.32 3ek1 s LYS 318 N 3.05 3.94 -0.21 1.70 2.20 -1.26 -4.91 119.74 124.25 3ek1 s LYS 318 Ca 0.48 0.68 -0.12 0.00 -0.36 0.00 0.00 55.97 56.65 3ek1 s LYS 318 Cb -0.18 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 3ek1 s LYS 318 CO 0.11 -0.81 0.21 0.08 -0.36 0.00 0.00 175.35 174.58 3ek1 s VAL 319 N 3.27 5.34 -2.15 4.02 1.01 -1.26 -0.42 120.40 130.21 3ek1 s VAL 319 Ca 0.37 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3ek1 s VAL 319 Cb -0.13 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3ek1 s VAL 319 CO 0.15 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ek1 n GLY 320 N 3.92 -0.55 3.73 4.51 0.00 0.14 -4.97 105.19 111.97 3ek1 n GLY 320 Ca -0.14 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 3ek1 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ek1 s ASN 321 N -4.00 6.64 0.61 1.61 3.84 -1.26 -4.23 114.94 118.16 3ek1 s ASN 321 Ca 0.00 2.63 0.41 0.00 0.21 0.00 0.00 52.86 56.10 3ek1 s ASN 321 Cb 0.00 -2.61 2.09 0.00 -0.55 0.00 0.00 41.25 40.18 3ek1 s ASN 321 CO 0.00 -0.74 2.23 1.23 -2.79 0.00 0.00 177.10 177.03 3ek1 h GLY 322 N 5.73 0.00 1.90 1.21 0.00 -1.84 -1.56 103.07 108.50 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 0.83 0.00 -0.07 -1.30 0.00 0.00 0.00 176.54 175.99 3ek1 n THR 323 N -3.02 0.58 -2.78 4.70 -2.24 -1.26 -1.32 114.28 108.94 3ek1 n THR 323 Ca -0.02 -0.29 -0.38 0.00 -2.27 0.00 0.00 64.05 61.08 3ek1 n THR 323 Cb 0.13 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.11 4.70 0.64 -0.78 0.41 -0.59 -4.96 118.70 115.01 3ek1 s GLU 324 Ca 0.10 1.38 -0.18 0.00 -0.41 0.00 0.00 54.97 55.86 3ek1 s GLU 324 Cb 0.12 -3.04 -0.01 0.00 -1.78 0.00 0.00 34.13 29.42 3ek1 s GLU 324 CO 0.61 0.41 1.30 -2.14 -0.49 0.00 0.00 175.26 174.95 3ek1 s PRO 325 N -1.61 2.58 0.00 0.39 0.02 -1.26 -2.73 135.00 132.38 3ek1 s PRO 325 Ca 0.45 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3ek1 s PRO 325 Cb -0.22 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.43 3ek1 s PRO 325 CO 0.28 -1.58 0.00 0.41 -0.33 0.00 0.00 177.00 175.77 3ek1 n GLY 326 N 0.90 2.46 3.68 0.52 0.00 -1.26 -4.97 105.19 106.52 3ek1 n GLY 326 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ek1 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 327 N -0.78 3.10 -0.06 1.61 1.01 -1.11 -4.56 120.40 119.60 3ek1 s VAL 327 Ca 0.00 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.42 3ek1 s VAL 327 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 3ek1 s VAL 327 CO 0.00 -0.02 0.16 1.33 0.00 0.00 0.00 175.10 176.58 3ek1 n VAL 328 N 5.09 0.00 -5.05 2.92 0.24 0.44 -4.80 118.33 117.17 3ek1 n VAL 328 Ca 0.17 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.97 3ek1 n VAL 328 Cb 0.41 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.09 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 -2.27 2.10 0.26 1.34 -1.09 -0.40 -4.80 121.20 116.33 3ek1 s ILE 329 Ca -0.01 -0.99 0.04 0.00 -2.23 0.00 0.00 60.65 57.45 3ek1 s ILE 329 Cb 0.04 -1.81 0.04 0.00 -1.58 0.00 0.00 42.46 39.15 3ek1 s ILE 329 CO 0.26 0.56 0.32 0.61 -1.23 0.00 0.00 174.94 175.45 3ek1 n GLY 330 N 3.68 2.18 3.80 6.18 0.00 -1.26 -0.68 105.19 119.09 3ek1 n GLY 330 Ca -0.19 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 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 -3.14 1.75 0.79 1.61 0.04 -1.26 -4.75 135.00 130.05 3ek1 s PRO 331 Ca 0.24 0.49 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 3ek1 s PRO 331 Cb -0.02 -1.89 0.07 0.00 0.04 0.00 0.00 34.50 32.70 3ek1 s PRO 331 CO 0.15 -1.82 1.13 -1.64 0.04 0.00 0.00 177.00 174.87 3ek1 s MET 332 N -5.22 2.12 0.08 4.56 -1.94 0.16 -4.75 119.30 114.32 3ek1 s MET 332 Ca 0.62 0.33 -0.01 0.00 -1.71 0.00 0.00 55.69 54.92 3ek1 s MET 332 Cb -0.14 -1.95 -0.26 0.00 2.01 0.00 0.00 34.83 34.48 3ek1 s MET 332 CO 0.54 -1.52 1.13 0.97 -0.01 0.00 0.00 175.02 176.13 3ek1 h ILE 333 N -1.01 1.50 -2.87 2.53 6.09 -1.85 -3.46 117.51 118.45 3ek1 h ILE 333 Ca -0.47 -3.12 -0.02 0.00 -1.37 0.00 0.00 64.86 59.89 3ek1 h ILE 333 Cb 1.30 2.89 -0.13 0.00 0.47 0.00 0.00 36.82 41.35 3ek1 h ILE 333 CO 0.64 0.90 0.22 -1.83 -3.07 0.00 0.00 178.15 175.01 3ek1 s GLU 334 N -2.66 1.23 0.21 2.19 -1.05 -1.26 -4.91 118.70 112.46 3ek1 s GLU 334 Ca -0.03 -0.40 -0.09 0.00 -0.15 0.00 0.00 54.97 54.31 3ek1 s GLU 334 Cb 0.08 0.57 0.27 0.00 -0.44 0.00 0.00 34.13 34.60 3ek1 s GLU 334 CO 0.86 -0.53 1.80 1.05 0.95 0.00 0.00 175.26 179.39 3ek1 h GLU 335 N 2.09 0.62 -0.88 -4.83 4.11 -1.95 -1.48 114.58 112.27 3ek1 h GLU 335 Ca -0.33 -0.04 0.16 0.00 0.07 0.00 0.00 59.36 59.22 3ek1 h GLU 335 Cb 1.29 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.33 3ek1 h GLU 335 CO 0.38 0.41 0.57 1.57 0.07 0.00 0.00 179.01 182.01 3ek1 h LYS 336 N 0.64 0.58 -0.28 1.06 2.10 -1.99 -1.56 116.57 117.13 3ek1 h LYS 336 Ca 0.31 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.92 3ek1 h LYS 336 Cb 0.25 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.43 3ek1 h LYS 336 CO -0.21 0.39 0.13 0.00 -2.00 0.00 0.00 179.45 177.75 3ek1 h ALA 337 N 1.61 0.36 -0.68 0.07 0.00 -1.67 -2.03 119.26 116.91 3ek1 h ALA 337 Ca 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3ek1 h ALA 337 Cb 0.84 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3ek1 h ALA 337 CO -0.20 -0.07 0.36 0.82 0.00 0.00 0.00 179.25 180.16 3ek1 h ILE 338 N 0.31 1.21 -0.93 0.00 2.04 -1.32 -2.00 117.51 116.82 3ek1 h ILE 338 Ca 0.09 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.43 3ek1 h ILE 338 Cb 0.13 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 3ek1 h ILE 338 CO -0.01 0.23 0.61 0.74 0.00 0.00 0.00 178.15 179.73 3ek1 h THR 339 N 0.95 1.23 -0.26 -0.27 2.02 -0.89 -1.64 112.91 114.06 3ek1 h THR 339 Ca 0.24 -0.43 -0.18 0.00 0.77 0.00 0.00 66.41 66.81 3ek1 h THR 339 Cb 0.04 -0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.32 3ek1 h THR 339 CO -0.04 0.23 -0.57 0.50 0.37 0.00 0.00 175.52 176.01 3ek1 h LYS 340 N 1.25 0.80 -0.48 6.66 3.64 -0.68 -1.78 116.57 125.97 3ek1 h LYS 340 Ca 0.34 -0.52 -0.07 0.00 -1.27 0.00 0.00 60.65 59.13 3ek1 h LYS 340 Cb -0.13 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3ek1 h LYS 340 CO -0.08 1.15 0.01 0.28 -2.27 0.00 0.00 179.45 178.54 3ek1 h VAL 341 N 0.61 1.26 -0.08 2.00 2.07 -1.22 -0.57 116.25 120.31 3ek1 h VAL 341 Ca 0.01 -1.05 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3ek1 h VAL 341 Cb 1.16 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3ek1 h VAL 341 CO 0.12 0.37 -0.17 0.11 0.02 0.00 0.00 177.57 178.02 3ek1 h LYS 342 N 0.70 -0.23 -0.93 1.57 1.57 -1.26 -1.70 116.57 116.29 3ek1 h LYS 342 Ca 0.14 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3ek1 h LYS 342 Cb 0.49 0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 3ek1 h LYS 342 CO 0.02 -0.15 0.60 0.00 -0.57 0.00 0.00 179.45 179.35 3ek1 h ALA 343 N 0.75 1.49 -0.65 3.86 0.00 -1.02 0.20 119.26 123.89 3ek1 h ALA 343 Ca 0.08 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3ek1 h ALA 343 Cb 0.35 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3ek1 h ALA 343 CO -0.22 0.38 0.22 0.45 0.00 0.00 0.00 179.25 180.07 3ek1 h HIS 344 N 1.07 1.03 0.25 0.00 3.86 -0.74 -1.85 115.15 118.77 3ek1 h HIS 344 Ca 0.40 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.50 3ek1 h HIS 344 Cb 0.19 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3ek1 h HIS 344 CO -0.00 0.83 -0.12 0.82 0.86 0.00 0.00 177.93 180.31 3ek1 h ILE 345 N 0.93 0.80 -0.52 2.45 2.04 -0.27 -1.07 117.51 121.87 3ek1 h ILE 345 Ca 0.21 -0.53 0.07 0.00 1.00 0.00 0.00 64.86 65.61 3ek1 h ILE 345 Cb 0.27 1.09 -0.10 0.00 -0.74 0.00 0.00 36.82 37.35 3ek1 h ILE 345 CO -0.01 0.11 -0.49 -0.33 0.00 0.00 0.00 178.15 177.43 3ek1 h GLU 346 N -0.62 -0.28 -0.92 2.37 4.39 -0.65 -0.49 114.58 118.37 3ek1 h GLU 346 Ca -0.03 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3ek1 h GLU 346 Cb 0.44 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 3ek1 h GLU 346 CO 0.06 -0.19 0.61 0.22 -1.16 0.00 0.00 179.01 178.55 3ek1 h ASP 347 N -0.29 1.05 -0.27 1.42 3.58 -1.27 0.12 116.42 120.76 3ek1 h ASP 347 Ca 0.13 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.52 3ek1 h ASP 347 Cb 0.57 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 3ek1 h ASP 347 CO -0.66 0.76 0.01 0.00 -2.88 0.00 0.00 179.24 176.48 3ek1 h ALA 348 N 1.34 0.36 -0.41 -0.78 0.00 -0.36 -2.73 119.26 116.69 3ek1 h ALA 348 Ca 0.34 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 348 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ek1 h ALA 348 CO -0.08 0.08 -0.01 0.28 0.00 0.00 0.00 179.25 179.51 3ek1 h VAL 349 N 0.25 1.26 0.00 0.00 2.07 -0.64 0.18 116.25 119.38 3ek1 h VAL 349 Ca 0.08 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3ek1 h VAL 349 Cb 0.39 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3ek1 h VAL 349 CO 0.01 0.35 0.05 0.77 0.02 0.00 0.00 177.57 178.77 3ek1 h SER 350 N 0.56 0.00 -0.32 0.57 4.64 -0.72 -0.16 113.55 118.12 3ek1 h SER 350 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ek1 h SER 350 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3ek1 h SER 350 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3ek1 n LYS 351 N -2.85 3.04 0.00 4.77 5.02 -0.98 -4.95 118.16 122.20 3ek1 n LYS 351 Ca -0.02 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.65 3ek1 n LYS 351 Cb 0.11 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 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 -0.06 0.85 3.81 0.72 0.00 -0.07 -5.01 105.19 105.42 3ek1 n GLY 352 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.90 -0.25 4.61 0.00 0.61 -4.90 121.76 122.73 3ek1 s ALA 353 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 3ek1 s ALA 353 Cb 0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3ek1 s ALA 353 CO 0.00 -0.31 0.04 0.15 0.00 0.00 0.00 175.76 175.65 3ek1 s LYS 354 N -3.46 3.42 -0.87 0.00 -0.14 -0.37 -4.12 119.74 114.21 3ek1 s LYS 354 Ca 0.65 -0.62 -0.25 0.00 -1.36 0.00 0.00 55.97 54.39 3ek1 s LYS 354 Cb -0.14 -3.25 0.04 0.00 -1.68 0.00 0.00 37.83 32.80 3ek1 s LYS 354 CO 0.23 -0.26 1.35 -1.17 -0.76 0.00 0.00 175.35 174.74 3ek1 s LEU 355 N 1.55 3.38 0.46 3.17 2.96 -1.26 -0.99 118.68 127.94 3ek1 s LEU 355 Ca 0.05 -0.95 0.26 0.00 -0.22 0.00 0.00 54.13 53.28 3ek1 s LEU 355 Cb -0.15 -2.56 0.67 0.00 0.50 0.00 0.00 46.19 44.65 3ek1 s LEU 355 CO 0.01 -1.67 1.73 0.16 -1.32 0.00 0.00 176.35 175.27 3ek1 h ILE 356 N 6.38 0.00 -3.41 6.68 3.07 -1.79 -3.47 117.51 124.96 3ek1 h ILE 356 Ca -0.05 -0.82 -0.05 0.00 1.55 0.00 0.00 64.86 65.49 3ek1 h ILE 356 Cb 1.03 1.81 -0.13 0.00 -0.27 0.00 0.00 36.82 39.27 3ek1 h ILE 356 CO 1.34 0.00 -0.08 0.28 -1.05 0.00 0.00 178.15 178.64 3ek1 s THR 357 N -3.34 0.07 0.00 0.16 -1.32 -1.23 -4.99 115.64 104.99 3ek1 s THR 357 Ca 0.05 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 3ek1 s THR 357 Cb 0.07 -1.22 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 3ek1 s THR 357 CO 0.62 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.33 3ek1 n GLY 358 N -0.23 0.00 2.87 6.08 0.00 -1.25 -3.47 105.19 109.19 3ek1 n GLY 358 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.12 3.11 -0.02 0.00 -0.20 -4.80 105.19 103.16 3ek1 n GLY 359 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 3ek1 n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek1 s LYS 360 N -5.48 0.67 0.20 1.61 -2.85 -1.24 -4.91 119.74 107.73 3ek1 s LYS 360 Ca 0.22 -1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 53.88 3ek1 s LYS 360 Cb -0.10 -0.30 -0.10 0.00 -2.06 0.00 0.00 37.83 35.27 3ek1 s LYS 360 CO 0.52 0.03 1.51 -1.21 0.10 0.00 0.00 175.35 176.30 3ek1 s GLU 361 N -2.50 4.24 0.00 1.78 2.02 -1.26 -0.70 118.70 122.28 3ek1 s GLU 361 Ca -0.01 2.33 0.13 0.00 0.02 0.00 0.00 54.97 57.44 3ek1 s GLU 361 Cb -0.04 -3.14 0.28 0.00 0.10 0.00 0.00 34.13 31.34 3ek1 s GLU 361 CO -0.01 -0.53 1.18 1.28 0.02 0.00 0.00 175.26 177.20 3ek1 n LEU 362 N 3.30 2.79 0.00 1.80 4.77 -0.97 -4.88 117.00 123.80 3ek1 n LEU 362 Ca 0.11 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.41 3ek1 n LEU 362 Cb 0.39 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3ek1 n LEU 362 CO 0.61 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.93 3ek1 n GLY 363 N 0.72 2.29 7.00 -0.72 0.00 -1.25 -4.90 105.19 108.34 3ek1 n GLY 363 Ca 0.12 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 2.10 2.78 0.72 -0.02 0.00 -1.26 -1.93 105.19 107.57 3ek1 n GLY 364 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 2.83 -4.81 0.99 4.77 -1.26 -5.00 117.00 114.52 3ek1 n LEU 365 Ca 0.00 -1.68 -0.35 0.00 -0.03 0.00 0.00 56.01 53.95 3ek1 n LEU 365 Cb 0.00 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 3ek1 n LEU 365 CO 0.00 0.66 0.57 -0.36 -1.33 0.00 0.00 177.39 176.93 3ek1 s PHE 366 N -1.05 3.50 -0.06 -1.77 0.08 -0.81 -0.67 117.98 117.20 3ek1 s PHE 366 Ca 0.25 1.55 -0.07 0.00 0.12 0.00 0.00 56.93 58.78 3ek1 s PHE 366 Cb 0.14 -2.78 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 3ek1 s PHE 366 CO 0.19 0.10 0.19 0.12 -0.10 0.00 0.00 175.22 175.72 3ek1 s PHE 367 N -1.86 -0.17 -0.09 0.36 5.36 -1.26 -2.30 117.98 118.02 3ek1 s PHE 367 Ca 0.54 0.41 -0.22 0.00 -0.96 0.00 0.00 56.93 56.70 3ek1 s PHE 367 Cb -0.13 0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.56 3ek1 s PHE 367 CO 0.18 -0.15 0.63 -2.00 -1.46 0.00 0.00 175.22 172.42 3ek1 s GLU 368 N -0.21 4.40 0.28 10.12 2.12 0.13 -4.88 118.70 130.66 3ek1 s GLU 368 Ca -0.03 0.73 -0.30 0.00 0.36 0.00 0.00 54.97 55.73 3ek1 s GLU 368 Cb -0.03 -3.45 -0.13 0.00 0.26 0.00 0.00 34.13 30.79 3ek1 s GLU 368 CO 0.01 0.08 1.38 -2.30 -0.54 0.00 0.00 175.26 173.88 3ek1 n PRO 369 N 3.81 2.13 -4.35 4.30 -0.02 -1.26 -1.03 135.00 138.57 3ek1 n PRO 369 Ca -0.03 0.75 -0.18 0.00 -2.02 0.00 0.00 63.50 62.02 3ek1 n PRO 369 Cb 0.51 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 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 0.07 1.77 -0.00 -1.23 0.00 -0.48 -3.17 107.32 104.29 3ek1 s GLY 370 Ca 0.63 -1.89 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3ek1 s GLY 370 CO 0.54 -1.66 -0.04 -0.42 0.00 0.00 0.00 173.10 171.52 3ek1 s ILE 371 N -3.56 0.30 -0.01 0.90 1.01 -1.23 -2.02 121.20 116.60 3ek1 s ILE 371 Ca 0.35 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.83 3ek1 s ILE 371 Cb 0.08 -0.27 -0.03 0.00 0.01 0.00 0.00 42.46 42.25 3ek1 s ILE 371 CO 0.13 0.05 -0.13 -0.76 0.00 0.00 0.00 174.94 174.23 3ek1 s LEU 372 N -0.17 2.84 0.28 2.97 1.43 -0.43 -2.10 118.68 123.49 3ek1 s LEU 372 Ca 0.01 -0.23 0.12 0.00 -1.03 0.00 0.00 54.13 52.99 3ek1 s LEU 372 Cb -0.02 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 3ek1 s LEU 372 CO -0.00 0.31 -0.18 0.42 0.23 0.00 0.00 176.35 177.12 3ek1 s THR 373 N -0.86 2.56 -0.99 5.49 -4.23 -0.16 -1.27 115.64 116.19 3ek1 s THR 373 Ca 0.14 -2.37 -0.03 0.00 -1.18 0.00 0.00 61.69 58.25 3ek1 s THR 373 Cb -0.11 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3ek1 s THR 373 CO 0.04 -0.40 0.43 0.61 -0.54 0.00 0.00 174.62 174.77 3ek1 n GLY 374 N -0.63 -0.08 3.80 3.99 0.00 -1.20 -1.23 105.19 109.83 3ek1 n GLY 374 Ca -0.05 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.98 4.35 0.17 1.61 1.01 -0.82 -4.21 120.40 119.54 3ek1 s VAL 375 Ca 0.22 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.81 3ek1 s VAL 375 Cb -0.09 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3ek1 s VAL 375 CO 0.27 0.12 0.00 0.42 0.00 0.00 0.00 175.10 175.91 3ek1 s THR 376 N -1.64 0.65 0.41 3.92 -4.23 -1.26 -4.20 115.64 109.29 3ek1 s THR 376 Ca 0.49 -1.98 0.38 0.00 -1.18 0.00 0.00 61.69 59.41 3ek1 s THR 376 Cb -0.17 -2.11 0.39 0.00 1.34 0.00 0.00 72.50 71.95 3ek1 s THR 376 CO 0.22 -0.48 2.17 0.77 -0.54 0.00 0.00 174.62 176.76 3ek1 h SER 377 N 2.71 0.00 -0.34 3.99 4.64 -1.98 -1.24 113.55 121.33 3ek1 h SER 377 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3ek1 h SER 377 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3ek1 h SER 377 CO 0.63 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.69 3ek1 n ASP 378 N -2.88 2.37 -4.88 4.97 5.75 -1.26 -4.78 116.55 115.85 3ek1 n ASP 378 Ca -0.02 -1.89 -0.30 0.00 -0.01 0.00 0.00 54.79 52.57 3ek1 n ASP 378 Cb 0.08 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ek1 s MET 379 N -1.56 3.76 0.14 0.11 -1.94 -0.47 -5.00 119.30 114.35 3ek1 s MET 379 Ca 0.33 0.48 -0.15 0.00 -1.71 0.00 0.00 55.69 54.64 3ek1 s MET 379 Cb 0.18 -2.36 0.02 0.00 2.01 0.00 0.00 34.83 34.67 3ek1 s MET 379 CO 0.25 -0.08 1.72 1.25 -0.01 0.00 0.00 175.02 178.15 3ek1 h LEU 380 N 1.08 0.58 -0.89 -0.03 5.85 -1.90 -1.82 115.31 118.18 3ek1 h LEU 380 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3ek1 h LEU 380 Cb 1.19 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3ek1 h LEU 380 CO 0.63 0.55 0.05 0.55 -0.34 0.00 0.00 178.44 179.89 3ek1 n VAL 381 N -4.65 1.25 0.21 1.05 3.14 -1.26 -0.36 118.33 117.70 3ek1 n VAL 381 Ca 0.01 0.66 0.09 0.00 -2.96 0.00 0.00 64.34 62.13 3ek1 n VAL 381 Cb 0.12 -1.66 0.35 0.00 -1.06 0.00 0.00 33.84 31.59 3ek1 n VAL 381 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3ek1 h ALA 382 N 1.84 0.95 0.00 1.55 0.00 -1.62 -3.35 119.26 118.63 3ek1 h ALA 382 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 382 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3ek1 h ALA 382 CO 0.00 0.33 -0.40 1.63 0.00 0.00 0.00 179.25 180.81 3ek1 n LYS 383 N -3.34 4.41 -4.59 0.00 4.76 0.51 -4.99 118.16 114.93 3ek1 n LYS 383 Ca 0.01 -0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 3ek1 n LYS 383 Cb 0.50 -0.73 -0.16 0.00 -1.84 0.00 0.00 35.03 32.80 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 -1.47 1.30 0.14 1.97 2.12 -0.59 -5.00 118.70 117.17 3ek1 s GLU 384 Ca 0.00 -0.44 -0.31 0.00 0.36 0.00 0.00 54.97 54.57 3ek1 s GLU 384 Cb 0.01 -1.18 -0.09 0.00 0.26 0.00 0.00 34.13 33.14 3ek1 s GLU 384 CO 0.07 0.18 1.48 -1.21 -0.54 0.00 0.00 175.26 175.25 3ek1 s GLU 385 N 0.08 4.27 0.06 4.30 2.02 -1.26 -4.45 118.70 123.71 3ek1 s GLU 385 Ca -0.02 2.23 -0.18 0.00 0.02 0.00 0.00 54.97 57.01 3ek1 s GLU 385 Cb -0.09 -3.20 -0.13 0.00 0.10 0.00 0.00 34.13 30.80 3ek1 s GLU 385 CO 0.01 -0.52 1.33 1.15 0.02 0.00 0.00 175.26 177.25 3ek1 h THR 386 N 4.12 1.34 -6.03 3.63 2.02 -1.90 -3.48 112.91 112.61 3ek1 h THR 386 Ca -0.42 -1.51 -0.43 0.00 0.77 0.00 0.00 66.41 64.82 3ek1 h THR 386 Cb 1.21 1.88 0.07 0.00 -1.74 0.00 0.00 68.15 69.56 3ek1 h THR 386 CO 0.89 0.46 -0.73 0.49 0.37 0.00 0.00 175.52 176.99 3ek1 n PHE 387 N -4.37 -2.51 -3.83 3.16 3.72 -1.26 -4.54 117.46 107.84 3ek1 n PHE 387 Ca -0.06 0.95 -0.06 0.00 -0.05 0.00 0.00 57.45 58.23 3ek1 n PHE 387 Cb 0.46 -4.57 -0.01 0.00 -0.94 0.00 0.00 39.48 34.42 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ek1 s GLY 388 N -3.51 -0.09 -1.44 1.37 0.00 -1.13 -4.46 107.32 98.06 3ek1 s GLY 388 Ca 0.51 -0.22 -0.12 0.00 0.00 0.00 0.00 44.72 44.88 3ek1 s GLY 388 CO 0.78 -0.02 2.52 -1.55 0.00 0.00 0.00 173.10 174.83 3ek1 n PRO 389 N -0.47 3.07 -3.85 2.90 -0.04 -0.81 -4.37 135.00 131.42 3ek1 n PRO 389 Ca -0.05 -2.28 -0.26 0.00 -0.04 0.00 0.00 63.50 60.87 3ek1 n PRO 389 Cb 0.60 -2.99 -0.17 0.00 -0.04 0.00 0.00 33.50 30.90 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N 1.09 1.08 -0.62 1.53 2.96 -1.26 -1.38 118.68 122.08 3ek1 s LEU 390 Ca 0.57 -0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 53.97 3ek1 s LEU 390 Cb 0.15 -0.72 0.13 0.00 0.50 0.00 0.00 46.19 46.25 3ek1 s LEU 390 CO -0.06 -0.17 0.66 0.00 -1.32 0.00 0.00 176.35 175.47 3ek1 s ALA 391 N 1.78 3.57 -0.39 5.97 0.00 -0.86 -4.97 121.76 126.87 3ek1 s ALA 391 Ca 0.04 -2.49 -0.20 0.00 0.00 0.00 0.00 51.96 49.31 3ek1 s ALA 391 Cb -0.13 -3.46 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3ek1 s ALA 391 CO -0.07 -2.26 0.62 -2.14 0.00 0.00 0.00 175.76 171.91 3ek1 s PRO 392 N 2.02 3.52 -0.40 0.00 0.02 -1.26 -1.32 135.00 137.58 3ek1 s PRO 392 Ca 0.10 -0.15 -0.19 0.00 0.02 0.00 0.00 61.00 60.79 3ek1 s PRO 392 Cb -0.24 -3.86 0.01 0.00 0.02 0.00 0.00 34.50 30.43 3ek1 s PRO 392 CO 0.03 -0.82 0.53 -0.51 -0.33 0.00 0.00 177.00 175.90 3ek1 s LEU 393 N 2.69 4.55 -0.17 -5.54 1.43 -0.39 -1.24 118.68 120.01 3ek1 s LEU 393 Ca 0.23 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 3ek1 s LEU 393 Cb -0.15 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 3ek1 s LEU 393 CO 0.16 -0.61 0.20 -0.36 0.23 0.00 0.00 176.35 175.97 3ek1 s PHE 394 N 2.46 3.47 0.28 0.29 2.99 0.17 -1.95 117.98 125.68 3ek1 s PHE 394 Ca 0.18 0.48 -0.14 0.00 0.00 0.00 0.00 56.93 57.44 3ek1 s PHE 394 Cb -0.15 -2.20 -0.08 0.00 0.00 0.00 0.00 43.02 40.58 3ek1 s PHE 394 CO 0.15 0.35 0.68 0.00 -0.00 0.00 0.00 175.22 176.41 3ek1 s ALA 395 N 0.14 3.40 0.05 5.36 0.00 -1.26 0.42 121.76 129.87 3ek1 s ALA 395 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.05 3ek1 s ALA 395 Cb -0.12 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 3ek1 s ALA 395 CO 0.02 0.38 -0.01 -0.59 0.00 0.00 0.00 175.76 175.56 3ek1 s PHE 396 N -1.85 0.42 -0.27 0.00 -0.12 -0.76 -4.83 117.98 110.57 3ek1 s PHE 396 Ca 0.50 -0.89 -0.12 0.00 -0.05 0.00 0.00 56.93 56.37 3ek1 s PHE 396 Cb -0.12 -0.31 -0.12 0.00 -0.63 0.00 0.00 43.02 41.84 3ek1 s PHE 396 CO 0.19 -0.35 -0.34 -0.25 -0.05 0.00 0.00 175.22 174.41 3ek1 n ASP 397 N 0.42 1.92 -4.39 1.98 8.00 -1.26 -1.19 116.55 122.03 3ek1 n ASP 397 Ca -0.16 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.35 3ek1 n ASP 397 Cb 0.60 -0.76 -0.12 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.50 2.21 0.16 -3.53 -4.23 -1.26 -4.75 115.64 101.75 3ek1 s THR 398 Ca -0.38 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.06 3ek1 s THR 398 Cb 0.14 -2.00 0.07 0.00 1.34 0.00 0.00 72.50 72.05 3ek1 s THR 398 CO 0.49 -0.06 1.64 -0.08 -0.54 0.00 0.00 174.62 176.07 3ek1 h GLU 399 N 3.53 -0.14 -0.61 3.99 4.81 -1.99 -0.60 114.58 123.58 3ek1 h GLU 399 Ca -0.48 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 3ek1 h GLU 399 Cb 1.19 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 3ek1 h GLU 399 CO 0.44 -0.09 0.14 0.93 -0.73 0.00 0.00 179.01 179.70 3ek1 h GLU 400 N -0.14 0.95 -0.72 1.92 3.07 -1.99 -0.78 114.58 116.89 3ek1 h GLU 400 Ca 0.17 -0.21 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 3ek1 h GLU 400 Cb 0.40 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 3ek1 h GLU 400 CO -0.42 0.85 0.20 1.49 -1.40 0.00 0.00 179.01 179.72 3ek1 h GLU 401 N 0.91 1.13 -0.01 2.33 4.81 -1.87 -2.13 114.58 119.74 3ek1 h GLU 401 Ca 0.19 -0.25 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 3ek1 h GLU 401 Cb 0.33 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3ek1 h GLU 401 CO 0.00 0.98 -0.78 -0.24 -0.73 0.00 0.00 179.01 178.24 3ek1 h VAL 402 N 1.07 1.48 -0.03 0.32 3.04 -0.17 -2.11 116.25 119.86 3ek1 h VAL 402 Ca 0.23 -2.46 -0.00 0.00 -1.01 0.00 0.00 66.70 63.46 3ek1 h VAL 402 Cb 0.34 2.34 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 3ek1 h VAL 402 CO -0.00 0.71 0.01 0.40 -1.01 0.00 0.00 177.57 177.68 3ek1 h ILE 403 N 0.09 1.14 -0.56 3.17 2.04 -1.07 0.13 117.51 122.46 3ek1 h ILE 403 Ca -0.03 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.52 3ek1 h ILE 403 Cb 1.37 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 38.73 3ek1 h ILE 403 CO 0.11 0.11 0.17 0.00 0.00 0.00 0.00 178.15 178.54 3ek1 h ALA 404 N 0.85 0.69 -0.19 1.87 0.00 -1.35 -0.86 119.26 120.27 3ek1 h ALA 404 Ca 0.01 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 404 Cb 0.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ek1 h ALA 404 CO -0.00 -0.24 -0.45 1.96 0.00 0.00 0.00 179.25 180.52 3ek1 h GLN 405 N 0.33 0.64 -0.57 0.00 4.20 -1.14 -2.59 115.11 115.98 3ek1 h GLN 405 Ca 0.28 -0.43 0.11 0.00 0.06 0.00 0.00 58.65 58.67 3ek1 h GLN 405 Cb 0.36 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 28.11 3ek1 h GLN 405 CO -0.31 1.05 0.01 0.00 -0.67 0.00 0.00 178.83 178.91 3ek1 h ALA 406 N 0.58 0.56 -0.00 3.87 0.00 -0.32 -2.03 119.26 121.92 3ek1 h ALA 406 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 406 Cb 1.06 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3ek1 h ALA 406 CO 0.10 -0.38 -0.01 0.09 0.00 0.00 0.00 179.25 179.05 3ek1 n ASN 407 N -5.25 0.17 -3.75 0.00 3.02 -0.36 -4.47 115.26 104.63 3ek1 n ASN 407 Ca 0.07 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 3ek1 n ASN 407 Cb 0.32 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.95 6.20 -3.61 6.41 2.03 -0.77 -4.79 116.55 121.07 3ek1 n ASP 408 Ca 0.21 -3.16 -0.13 0.00 0.52 0.00 0.00 54.79 52.22 3ek1 n ASP 408 Cb 0.17 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 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 -0.52 0.04 -0.38 5.18 -1.32 -1.26 -4.99 115.64 112.39 3ek1 s THR 409 Ca 0.43 -0.35 0.27 0.00 -1.21 0.00 0.00 61.69 60.83 3ek1 s THR 409 Cb 0.12 -0.97 0.31 0.00 -1.51 0.00 0.00 72.50 70.45 3ek1 s THR 409 CO -0.02 -0.19 1.78 0.16 -2.21 0.00 0.00 174.62 174.14 3ek1 h ILE 410 N 2.85 0.00 -3.11 5.08 3.07 -1.95 -3.46 117.51 119.99 3ek1 h ILE 410 Ca -0.31 -0.49 -0.46 0.00 1.55 0.00 0.00 64.86 65.15 3ek1 h ILE 410 Cb 1.21 1.40 0.04 0.00 -0.27 0.00 0.00 36.82 39.20 3ek1 h ILE 410 CO 0.42 0.00 0.03 -0.36 -1.05 0.00 0.00 178.15 177.19 3ek1 s PHE 411 N -3.34 3.18 -0.35 0.16 0.08 -1.26 -1.21 117.98 115.24 3ek1 s PHE 411 Ca 0.05 0.37 0.04 0.00 0.12 0.00 0.00 56.93 57.52 3ek1 s PHE 411 Cb 0.09 -2.56 0.20 0.00 -0.57 0.00 0.00 43.02 40.18 3ek1 s PHE 411 CO 0.53 -0.64 1.19 0.41 -0.10 0.00 0.00 175.22 176.61 3ek1 n GLY 412 N -2.34 -0.03 0.00 4.36 0.00 -1.25 -4.81 105.19 101.13 3ek1 n GLY 412 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.43 0.00 -4.73 0.99 7.94 -1.26 -0.97 117.00 118.53 3ek1 n LEU 413 Ca -0.16 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.43 3ek1 n LEU 413 Cb 0.73 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.60 3ek1 n LEU 413 CO -0.09 0.00 -0.30 0.00 -1.11 0.00 0.00 177.39 175.89 3ek1 s ALA 414 N -4.00 3.44 0.09 1.96 0.00 -1.26 -1.59 121.76 120.41 3ek1 s ALA 414 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 3ek1 s ALA 414 Cb 0.00 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 3ek1 s ALA 414 CO 0.00 0.72 0.10 0.00 0.00 0.00 0.00 175.76 176.58 3ek1 s ALA 415 N -1.34 0.30 -0.01 0.00 0.00 -0.39 -4.14 121.76 116.17 3ek1 s ALA 415 Ca 0.27 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 3ek1 s ALA 415 Cb -0.12 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3ek1 s ALA 415 CO 0.20 -0.48 0.08 0.71 0.00 0.00 0.00 175.76 176.27 3ek1 s TYR 416 N -3.94 0.00 -0.04 0.00 2.02 0.07 0.28 117.35 115.75 3ek1 s TYR 416 Ca 0.11 0.00 -0.17 0.00 -0.37 0.00 0.00 57.07 56.65 3ek1 s TYR 416 Cb 0.06 -0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.63 3ek1 s TYR 416 CO -0.06 -0.13 0.38 -0.59 -1.57 0.00 0.00 175.55 173.57 3ek1 s PHE 417 N -0.58 -0.28 -0.13 2.71 -0.12 0.19 0.09 117.98 119.85 3ek1 s PHE 417 Ca -0.07 0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.31 3ek1 s PHE 417 Cb -0.04 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 3ek1 s PHE 417 CO 0.00 -0.40 -0.17 0.71 -0.05 0.00 0.00 175.22 175.32 3ek1 s TYR 418 N -1.12 2.74 -0.16 3.49 2.02 0.65 -0.44 117.35 124.52 3ek1 s TYR 418 Ca -0.12 -0.91 -0.30 0.00 -0.37 0.00 0.00 57.07 55.37 3ek1 s TYR 418 Cb -0.04 -1.83 0.13 0.00 -0.40 0.00 0.00 41.96 39.82 3ek1 s TYR 418 CO 0.05 -0.37 1.01 -0.08 -1.57 0.00 0.00 175.55 174.59 3ek1 s THR 419 N 0.55 0.00 -1.57 -0.71 -1.32 -1.26 -2.18 115.64 109.15 3ek1 s THR 419 Ca -0.10 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.60 3ek1 s THR 419 Cb -0.16 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.72 3ek1 s THR 419 CO 0.04 0.00 1.01 -0.62 -2.21 0.00 0.00 174.62 172.84 3ek1 n GLU 420 N 0.71 0.66 -3.01 7.08 -0.58 -1.10 -4.87 120.64 119.54 3ek1 n GLU 420 Ca -0.10 -0.55 -0.40 0.00 -0.42 0.00 0.00 57.16 55.70 3ek1 n GLU 420 Cb 0.58 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.92 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 -2.71 7.03 0.10 1.62 3.84 -1.26 -4.97 114.94 118.59 3ek1 s ASN 421 Ca 0.14 1.24 -0.22 0.00 0.21 0.00 0.00 52.86 54.24 3ek1 s ASN 421 Cb 0.17 -2.43 -0.11 0.00 -0.55 0.00 0.00 41.25 38.33 3ek1 s ASN 421 CO 0.71 -0.13 1.74 0.15 -2.79 0.00 0.00 177.10 176.77 3ek1 h PHE 422 N 6.76 0.04 -0.41 0.43 3.57 -2.00 -1.79 116.94 123.55 3ek1 h PHE 422 Ca -0.41 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.02 3ek1 h PHE 422 Cb 1.20 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3ek1 h PHE 422 CO 0.65 0.02 -0.05 0.77 -2.23 0.00 0.00 178.31 177.47 3ek1 h SER 423 N 0.06 0.75 -0.41 0.41 0.02 -2.00 -2.00 113.55 110.37 3ek1 h SER 423 Ca 0.03 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3ek1 h SER 423 Cb 0.02 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3ek1 h SER 423 CO -0.04 0.91 0.27 -0.09 -1.14 0.00 0.00 176.83 176.74 3ek1 h ARG 424 N 0.58 0.48 0.09 3.45 2.43 -1.95 -0.58 114.38 118.88 3ek1 h ARG 424 Ca 0.11 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3ek1 h ARG 424 Cb 0.56 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3ek1 h ARG 424 CO 0.03 0.32 -0.06 0.00 -1.51 0.00 0.00 179.97 178.76 3ek1 h ALA 425 N 1.75 -0.14 0.11 2.80 0.00 -0.57 -1.37 119.26 121.85 3ek1 h ALA 425 Ca 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ek1 h ALA 425 Cb 0.02 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3ek1 h ALA 425 CO -0.04 -0.58 -0.26 0.82 0.00 0.00 0.00 179.25 179.20 3ek1 h ILE 426 N -0.14 0.43 -0.20 0.00 1.08 -1.22 -1.87 117.51 115.58 3ek1 h ILE 426 Ca -0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.49 3ek1 h ILE 426 Cb 0.12 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.28 3ek1 h ILE 426 CO 0.01 0.00 0.05 0.03 -0.69 0.00 0.00 178.15 177.55 3ek1 h ARG 427 N -0.46 0.13 0.20 2.37 3.08 -0.88 -2.31 114.38 116.51 3ek1 h ARG 427 Ca 0.03 -0.01 -0.32 0.00 0.07 0.00 0.00 59.98 59.76 3ek1 h ARG 427 Cb 0.49 -0.03 0.03 0.00 0.08 0.00 0.00 29.97 30.54 3ek1 h ARG 427 CO -0.15 0.08 -1.39 0.28 -1.07 0.00 0.00 179.97 177.72 3ek1 h VAL 428 N 0.13 1.31 -0.95 2.04 2.07 -1.30 -1.91 116.25 117.64 3ek1 h VAL 428 Ca 0.09 -2.69 0.08 0.00 0.82 0.00 0.00 66.70 64.99 3ek1 h VAL 428 Cb 0.07 2.94 -0.07 0.00 -1.52 0.00 0.00 31.29 32.71 3ek1 h VAL 428 CO -0.11 0.81 0.60 0.77 0.02 0.00 0.00 177.57 179.66 3ek1 h SER 429 N 0.17 0.94 0.66 0.57 4.64 -1.34 -1.62 113.55 117.57 3ek1 h SER 429 Ca -0.22 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 60.93 3ek1 h SER 429 Cb 2.08 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.98 3ek1 h SER 429 CO 0.26 0.58 -0.87 -0.33 -0.87 0.00 0.00 176.83 175.59 3ek1 h GLU 430 N 1.06 0.14 0.00 4.77 5.08 -1.43 -3.28 114.58 120.92 3ek1 h GLU 430 Ca 0.43 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3ek1 h GLU 430 Cb 0.24 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ek1 h GLU 430 CO -0.20 0.92 -0.60 0.00 -1.00 0.00 0.00 179.01 178.14 3ek1 h ALA 431 N 1.02 0.64 -2.24 3.43 0.00 -1.02 -3.44 119.26 117.65 3ek1 h ALA 431 Ca -0.04 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.32 3ek1 h ALA 431 Cb 1.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 3ek1 h ALA 431 CO 0.13 0.00 0.85 -0.51 0.00 0.00 0.00 179.25 179.72 3ek1 s LEU 432 N -4.75 4.24 -1.38 0.00 1.43 -0.64 -4.92 118.68 112.66 3ek1 s LEU 432 Ca 0.05 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.85 3ek1 s LEU 432 Cb 0.11 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.87 3ek1 s LEU 432 CO 0.72 -0.72 2.04 -0.62 0.23 0.00 0.00 176.35 178.00 3ek1 n GLU 433 N 6.08 3.14 -3.90 1.70 1.02 -1.26 -4.88 120.64 122.53 3ek1 n GLU 433 Ca 0.13 -3.00 -0.11 0.00 -0.02 0.00 0.00 57.16 54.17 3ek1 n GLU 433 Cb 0.45 -3.19 -0.11 0.00 -0.02 0.00 0.00 31.44 28.57 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 2.38 0.10 0.08 -0.32 2.02 -1.26 -4.42 117.35 115.93 3ek1 s TYR 434 Ca 0.45 -0.23 0.27 0.00 -0.37 0.00 0.00 57.07 57.20 3ek1 s TYR 434 Cb 0.11 -0.09 1.02 0.00 -0.40 0.00 0.00 41.96 42.60 3ek1 s TYR 434 CO -0.04 -0.23 1.86 0.78 -1.57 0.00 0.00 175.55 176.35 3ek1 h GLY 435 N 4.57 0.00 -6.53 0.71 0.00 -0.21 -3.45 103.07 98.16 3ek1 h GLY 435 Ca -0.31 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.74 3ek1 h GLY 435 CO 0.41 0.00 -0.66 1.06 0.00 0.00 0.00 176.54 177.36 3ek1 s MET 436 N -3.61 0.03 -0.12 4.80 -1.94 -0.62 -4.79 119.30 113.05 3ek1 s MET 436 Ca 0.01 0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.34 3ek1 s MET 436 Cb 0.09 -0.25 0.02 0.00 2.01 0.00 0.00 34.83 36.71 3ek1 s MET 436 CO 0.61 -0.21 -0.10 0.08 -0.01 0.00 0.00 175.02 175.39 3ek1 s VAL 437 N 1.42 1.22 -0.16 -6.03 1.01 -1.26 -1.26 120.40 115.34 3ek1 s VAL 437 Ca -0.06 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 3ek1 s VAL 437 Cb -0.12 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 3ek1 s VAL 437 CO -0.05 0.40 0.71 -0.83 0.00 0.00 0.00 175.10 175.33 3ek1 s GLY 438 N 1.54 2.18 -0.30 4.51 0.00 0.14 -4.98 107.32 110.41 3ek1 s GLY 438 Ca 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.62 3ek1 s GLY 438 CO -0.08 1.40 0.04 -1.58 0.00 0.00 0.00 173.10 172.88 3ek1 s HIS 439 N 1.76 3.20 -1.48 1.90 2.46 -1.26 -0.64 115.29 121.24 3ek1 s HIS 439 Ca 0.34 -1.48 0.00 0.00 0.47 0.00 0.00 55.06 54.39 3ek1 s HIS 439 Cb -0.16 -2.18 0.00 0.00 -0.13 0.00 0.00 32.58 30.10 3ek1 s HIS 439 CO 0.12 -0.72 0.00 0.09 -2.47 0.00 0.00 174.74 171.77 3ek1 n ASN 440 N 4.74 -4.81 -3.65 9.88 3.02 0.41 -4.99 115.26 119.87 3ek1 n ASN 440 Ca -0.14 0.13 -0.14 0.00 -0.03 0.00 0.00 54.58 54.40 3ek1 n ASN 440 Cb 0.45 -3.85 -0.08 0.00 -0.61 0.00 0.00 39.78 35.69 3ek1 n ASN 440 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3ek1 s THR 441 N -2.72 0.01 -2.44 3.41 -1.32 -1.26 -5.00 115.64 106.30 3ek1 s THR 441 Ca 0.00 -0.04 0.23 0.00 -1.21 0.00 0.00 61.69 60.66 3ek1 s THR 441 Cb 0.00 -0.84 0.43 0.00 -1.51 0.00 0.00 72.50 70.58 3ek1 s THR 441 CO 0.00 -0.02 1.43 0.61 -2.21 0.00 0.00 174.62 174.42 3ek1 n GLY 442 N 2.27 1.43 2.79 6.08 0.00 -1.26 -4.66 105.19 111.85 3ek1 n GLY 442 Ca -0.15 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.50 2.30 0.00 0.99 1.43 -1.26 -4.25 118.68 116.39 3ek1 s LEU 443 Ca 0.37 -1.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.12 3ek1 s LEU 443 Cb 0.22 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 3ek1 s LEU 443 CO 0.30 -0.36 0.48 2.30 0.23 0.00 0.00 176.35 179.31 3ek1 n ILE 444 N 4.81 0.00 -2.60 -0.59 -5.35 -1.26 -5.04 119.36 109.33 3ek1 n ILE 444 Ca -0.05 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 3ek1 n ILE 444 Cb 0.43 1.05 -0.04 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 -1.56 7.35 0.24 7.28 0.01 -1.26 -5.02 113.70 120.75 3ek1 s SER 445 Ca 0.05 1.98 -0.17 0.00 1.31 0.00 0.00 55.95 59.12 3ek1 s SER 445 Cb 0.07 -2.60 0.06 0.00 0.21 0.00 0.00 66.02 63.77 3ek1 s SER 445 CO 0.30 -0.16 0.85 -0.46 0.41 0.00 0.00 173.24 174.18 3ek1 n ASN 446 N 2.55 -1.76 0.01 2.44 0.23 -1.26 -5.05 115.26 112.40 3ek1 n ASN 446 Ca 0.03 -2.05 0.11 0.00 -0.53 0.00 0.00 54.58 52.14 3ek1 n ASN 446 Cb 0.47 2.89 0.11 0.00 -2.08 0.00 0.00 39.78 41.18 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 -0.59 0.05 0.03 -3.83 0.00 -1.26 -4.45 120.64 110.59 3ek1 n GLU 447 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.23 3ek1 n GLU 447 Cb 0.53 -1.52 0.01 0.00 0.00 0.00 0.00 31.44 30.47 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 -1.58 0.19 -4.23 3.84 0.24 -1.26 -0.33 118.33 115.19 3ek1 n VAL 448 Ca 0.05 -0.27 -0.28 0.00 -2.04 0.00 0.00 64.34 61.80 3ek1 n VAL 448 Cb 0.35 0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.81 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 -3.22 3.07 -0.07 2.33 0.00 -1.26 -3.92 121.76 118.69 3ek1 s ALA 449 Ca 0.03 -1.34 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 3ek1 s ALA 449 Cb 0.14 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3ek1 s ALA 449 CO 0.81 0.54 1.15 -1.25 0.00 0.00 0.00 175.76 177.00 3ek1 s PRO 450 N -2.66 4.37 -0.16 0.00 0.04 -1.26 -3.92 135.00 131.41 3ek1 s PRO 450 Ca 0.25 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 3ek1 s PRO 450 Cb -0.10 -3.56 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 3ek1 s PRO 450 CO 0.16 -0.42 -0.07 -0.06 0.04 0.00 0.00 177.00 176.65 3ek1 s PHE 451 N 2.20 2.93 -3.79 0.56 0.08 -0.08 -4.89 117.98 114.99 3ek1 s PHE 451 Ca 0.54 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 57.05 3ek1 s PHE 451 Cb -0.23 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.28 3ek1 s PHE 451 CO 0.20 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.54 3ek1 n GLY 452 N 3.74 -2.37 3.59 4.36 0.00 -1.26 -0.88 105.19 112.37 3ek1 n GLY 452 Ca -0.18 -1.24 -0.27 0.00 0.00 0.00 0.00 46.02 44.34 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 2.38 0.54 -0.02 0.00 -1.26 -4.01 107.32 104.96 3ek1 s GLY 453 Ca 0.00 -2.23 0.04 0.00 0.00 0.00 0.00 44.72 42.54 3ek1 s GLY 453 CO 0.00 -2.06 0.33 -1.34 0.00 0.00 0.00 173.10 170.02 3ek1 s VAL 454 N -2.72 1.51 0.00 1.40 -7.23 -0.14 -4.28 120.40 108.94 3ek1 s VAL 454 Ca 0.34 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 3ek1 s VAL 454 Cb 0.08 -2.11 0.00 0.00 0.56 0.00 0.00 36.38 34.91 3ek1 s VAL 454 CO 0.17 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.25 3ek1 n LYS 455 N -1.68 0.00 -0.25 4.82 5.02 -1.26 -1.49 118.16 123.32 3ek1 n LYS 455 Ca -0.05 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.27 3ek1 n LYS 455 Cb 0.65 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.80 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 2.10 0.01 1.97 6.02 -0.35 -3.77 117.38 137.37 3ek1 n GLN 456 Ca 0.00 -1.15 0.12 0.00 -0.01 0.00 0.00 57.00 55.97 3ek1 n GLN 456 Cb 0.00 -1.51 0.31 0.00 1.02 0.00 0.00 30.24 30.06 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 0.30 0.43 0.00 1.08 7.64 -0.55 -4.53 113.62 117.99 3ek1 n SER 457 Ca 0.10 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3ek1 n SER 457 Cb 0.43 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.48 0.68 2.90 0.23 0.00 -1.25 -0.50 105.19 108.73 3ek1 n GLY 458 Ca 0.06 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 1.62 0.00 0.99 1.43 -0.05 -4.50 118.68 118.16 3ek1 s LEU 459 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3ek1 s LEU 459 Cb 0.00 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 45.94 3ek1 s LEU 459 CO 0.00 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.18 3ek1 n GLY 460 N 3.54 -1.16 3.16 -3.19 0.00 -1.26 -1.67 105.19 104.61 3ek1 n GLY 460 Ca -0.20 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.82 0.91 0.18 1.61 1.81 -1.26 -4.43 118.95 115.95 3ek1 s ARG 461 Ca 0.00 -0.85 0.10 0.00 -1.72 0.00 0.00 55.73 53.26 3ek1 s ARG 461 Cb 0.00 -0.93 -0.04 0.00 -0.45 0.00 0.00 34.95 33.53 3ek1 s ARG 461 CO 0.00 0.22 -0.17 -1.21 -0.68 0.00 0.00 175.30 173.46 3ek1 s GLU 462 N -1.38 1.78 0.23 3.54 2.02 -0.05 -4.33 118.70 120.51 3ek1 s GLU 462 Ca 0.01 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3ek1 s GLU 462 Cb -0.09 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.13 3ek1 s GLU 462 CO 0.02 0.42 0.00 0.41 0.02 0.00 0.00 175.26 176.13 3ek1 n GLY 463 N 0.21 -1.96 0.49 -1.39 0.00 -1.26 -0.90 105.19 100.38 3ek1 n GLY 463 Ca -0.12 -1.30 0.07 0.00 0.00 0.00 0.00 46.02 44.67 3ek1 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 464 N -3.17 -2.95 0.00 1.61 3.41 0.55 -2.26 113.62 110.81 3ek1 n SER 464 Ca -0.01 0.28 0.03 0.00 -0.26 0.00 0.00 58.87 58.91 3ek1 n SER 464 Cb 0.38 -1.55 0.16 0.00 -0.26 0.00 0.00 64.21 62.94 3ek1 n SER 464 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3ek1 n LYS 465 N -2.64 0.31 -0.00 4.33 -0.00 -1.26 -2.27 118.16 116.63 3ek1 n LYS 465 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.39 3ek1 n LYS 465 Cb 0.23 -1.27 -0.11 0.00 -0.00 0.00 0.00 35.03 33.88 3ek1 n LYS 465 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ek1 n TYR 466 N -0.77 0.00 0.01 5.58 4.01 -1.26 -4.67 117.16 120.07 3ek1 n TYR 466 Ca 0.04 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.66 3ek1 n TYR 466 Cb 0.02 -0.03 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 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 4.21 0.63 2.00 2.72 0.00 -1.00 -3.27 103.07 108.35 3ek1 h GLY 467 Ca 0.00 -0.82 -0.10 0.00 0.00 0.00 0.00 47.33 46.41 3ek1 h GLY 467 CO 0.00 0.73 -0.46 1.19 0.00 0.00 0.00 176.54 178.01 3ek1 h ILE 468 N 0.41 1.14 0.00 2.60 2.10 -1.83 -2.75 117.51 119.18 3ek1 h ILE 468 Ca -0.02 -1.67 0.00 0.00 1.08 0.00 0.00 64.86 64.25 3ek1 h ILE 468 Cb 1.25 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.93 3ek1 h ILE 468 CO 0.13 0.45 0.00 1.05 -1.08 0.00 0.00 178.15 178.69 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.87 -1.49 114.58 117.52 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 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 3ek1 h GLU 469 CO 0.06 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.53 3ek1 n GLU 470 N -2.67 0.13 -0.03 1.06 -0.58 -1.04 -2.68 120.64 114.83 3ek1 n GLU 470 Ca -0.02 0.32 0.03 0.00 -0.42 0.00 0.00 57.16 57.07 3ek1 n GLU 470 Cb 0.05 -1.73 0.05 0.00 -0.57 0.00 0.00 31.44 29.25 3ek1 n GLU 470 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3ek1 n TYR 471 N -1.97 0.03 -4.31 -0.32 4.01 -0.56 -4.97 117.16 109.07 3ek1 n TYR 471 Ca 0.03 -0.64 -0.23 0.00 -0.16 0.00 0.00 57.90 56.90 3ek1 n TYR 471 Cb 0.24 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.07 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 -1.55 2.38 -0.01 7.72 1.43 -1.09 -1.27 118.68 126.29 3ek1 s LEU 472 Ca 0.10 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3ek1 s LEU 472 Cb 0.09 -0.85 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 3ek1 s LEU 472 CO 0.02 0.01 -0.14 -1.61 0.23 0.00 0.00 176.35 174.85 3ek1 s GLU 473 N -2.40 2.35 -0.05 1.70 0.41 0.15 -4.73 118.70 116.12 3ek1 s GLU 473 Ca 0.12 -0.81 -0.21 0.00 -0.41 0.00 0.00 54.97 53.66 3ek1 s GLU 473 Cb -0.08 -2.33 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 3ek1 s GLU 473 CO 0.06 0.59 0.59 0.99 -0.49 0.00 0.00 175.26 177.00 3ek1 s THR 474 N -0.85 5.03 -0.10 3.63 2.01 -1.26 -1.72 115.64 122.37 3ek1 s THR 474 Ca 0.14 1.23 0.01 0.00 0.31 0.00 0.00 61.69 63.38 3ek1 s THR 474 Cb -0.11 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.49 3ek1 s THR 474 CO 0.04 0.34 -0.12 -0.75 -0.69 0.00 0.00 174.62 173.43 3ek1 s LYS 475 N 0.34 1.92 -0.19 4.92 2.20 -0.10 -5.01 119.74 123.82 3ek1 s LYS 475 Ca 0.32 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.35 3ek1 s LYS 475 Cb -0.17 -1.70 -0.05 0.00 -1.51 0.00 0.00 37.83 34.40 3ek1 s LYS 475 CO 0.16 -0.10 0.26 -0.47 -0.36 0.00 0.00 175.35 174.84 3ek1 s TYR 476 N 1.11 3.41 -0.14 4.03 5.04 -1.26 -1.20 117.35 128.34 3ek1 s TYR 476 Ca -0.05 0.49 0.02 0.00 -2.44 0.00 0.00 57.07 55.09 3ek1 s TYR 476 Cb -0.14 -2.33 0.01 0.00 0.35 0.00 0.00 41.96 39.85 3ek1 s TYR 476 CO -0.02 0.17 -0.19 0.42 -1.34 0.00 0.00 175.55 174.59 3ek1 s ILE 477 N 0.70 1.85 -0.25 3.14 1.01 0.56 -5.00 121.20 123.21 3ek1 s ILE 477 Ca 0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3ek1 s ILE 477 Cb -0.13 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.69 3ek1 s ILE 477 CO 0.04 0.51 -0.03 0.00 0.00 0.00 0.00 174.94 175.46 3ek1 s SER 479 N 1.40 3.32 -0.04 0.00 0.01 0.60 -4.96 113.70 114.04 3ek1 s SER 479 Ca 0.02 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 3ek1 s SER 479 Cb -0.16 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.55 3ek1 s SER 479 CO -0.03 0.14 0.23 0.00 0.41 0.00 0.00 173.24 174.00 3ek1 s ALA 480 N 0.47 3.85 0.10 1.44 0.00 -1.26 -0.24 121.76 126.12 3ek1 s ALA 480 Ca -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3ek1 s ALA 480 Cb -0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.85 3ek1 s ALA 480 CO 0.06 0.62 -0.02 1.52 0.00 0.00 0.00 175.76 177.93 3ek1 s TYR 481 N -1.17 0.83 -0.17 0.00 -0.85 -0.49 -4.99 117.35 110.51 3ek1 s TYR 481 Ca 0.22 -1.03 -0.23 0.00 -0.52 0.00 0.00 57.07 55.52 3ek1 s TYR 481 Cb -0.13 -0.50 -0.02 0.00 0.38 0.00 0.00 41.96 41.68 3ek1 s TYR 481 CO 0.11 -0.29 0.70 -1.59 -1.52 0.00 0.00 175.55 172.96 3ek1 s LYS 482 N -3.91 4.27 0.00 -3.49 0.00 -1.26 -4.77 119.74 110.59 3ek1 s LYS 482 Ca 0.14 0.78 0.30 0.00 0.00 0.00 0.00 55.97 57.19 3ek1 s LYS 482 Cb 0.07 -3.56 1.78 0.00 0.00 0.00 0.00 37.83 36.13 3ek1 s LYS 482 CO -0.04 -0.22 2.12 0.54 0.00 0.00 0.00 175.35 177.75