#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 s LEU 2 N 0.00 4.47 -1.39 -0.89 1.43 -1.26 -4.97 118.68 116.07 3ek1 s LEU 2 Ca 0.00 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.68 3ek1 s LEU 2 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.75 3ek1 s LEU 2 CO 0.00 -0.09 2.04 0.00 0.23 0.00 0.00 176.35 178.53 3ek1 n ALA 3 N 2.97 5.00 -2.70 4.21 0.00 -1.26 -4.97 120.51 123.76 3ek1 n ALA 3 Ca 0.02 -3.94 -0.38 0.00 0.00 0.00 0.00 53.44 49.14 3ek1 n ALA 3 Cb 0.50 -3.47 -0.06 0.00 0.00 0.00 0.00 19.45 16.42 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 2.35 4.22 0.47 0.00 1.43 -1.26 -4.96 118.68 120.92 3ek1 s LEU 4 Ca 0.47 0.75 0.16 0.00 -1.03 0.00 0.00 54.13 54.49 3ek1 s LEU 4 Cb 0.10 -2.70 1.13 0.00 0.03 0.00 0.00 46.19 44.76 3ek1 s LEU 4 CO -0.04 -0.08 2.04 0.11 0.23 0.00 0.00 176.35 178.61 3ek1 h LYS 5 N 7.04 0.24 -2.96 1.70 1.57 -1.97 -3.33 116.57 118.87 3ek1 h LYS 5 Ca -0.38 -0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.78 3ek1 h LYS 5 Cb 1.17 -0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.02 3ek1 h LYS 5 CO 0.75 0.16 -0.74 0.34 -0.57 0.00 0.00 179.45 179.39 3ek1 s ASP 6 N -6.51 3.60 0.15 0.86 -1.08 -1.26 -4.97 116.67 107.47 3ek1 s ASP 6 Ca -0.07 -2.70 0.18 0.00 -0.52 0.00 0.00 52.55 49.45 3ek1 s ASP 6 Cb 0.19 -1.03 0.79 0.00 -1.46 0.00 0.00 42.92 41.41 3ek1 s ASP 6 CO 0.72 -0.25 1.57 -0.81 0.52 0.00 0.00 175.17 176.91 3ek1 n PRO 7 N 3.44 0.10 0.00 4.34 -0.04 -1.25 -1.24 135.00 140.35 3ek1 n PRO 7 Ca 0.10 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 3ek1 n PRO 7 Cb 0.35 -1.71 0.50 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.91 0.00 0.16 3.54 3.41 -1.26 -2.18 113.62 115.38 3ek1 n SER 8 Ca 0.02 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.67 3ek1 n SER 8 Cb 0.18 -0.29 0.23 0.00 -0.26 0.00 0.00 64.21 64.07 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 -8.65 1.04 3.38 -1.57 -3.42 115.31 106.09 3ek1 h LEU 9 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3ek1 h LEU 9 Cb 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3ek1 h LEU 9 CO 0.00 0.47 0.84 -0.22 0.09 0.00 0.00 178.44 179.63 3ek1 s LEU 10 N -7.00 3.69 0.22 1.67 2.96 -0.93 -4.00 118.68 115.29 3ek1 s LEU 10 Ca 0.01 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3ek1 s LEU 10 Cb 0.11 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.44 3ek1 s LEU 10 CO 0.72 -1.28 0.18 -0.54 -1.32 0.00 0.00 176.35 174.11 3ek1 s LYS 11 N 4.42 2.93 -0.04 1.98 -0.14 -1.26 -5.01 119.74 122.62 3ek1 s LYS 11 Ca 0.43 -0.98 0.05 0.00 -1.36 0.00 0.00 55.97 54.11 3ek1 s LYS 11 Cb -0.08 -2.60 0.08 0.00 -1.68 0.00 0.00 37.83 33.55 3ek1 s LYS 11 CO 0.28 0.43 0.94 -1.13 -0.76 0.00 0.00 175.35 175.11 3ek1 n SER 12 N -0.86 1.42 -4.27 2.83 3.41 -1.26 -4.85 113.62 110.04 3ek1 n SER 12 Ca -0.08 -2.09 -0.16 0.00 -0.26 0.00 0.00 58.87 56.28 3ek1 n SER 12 Cb 0.57 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.17 1.12 0.36 4.33 -0.21 -1.26 -3.95 119.66 118.87 3ek1 s GLN 13 Ca 0.09 -1.45 -0.08 0.00 0.02 0.00 0.00 55.36 53.94 3ek1 s GLN 13 Cb 0.08 -0.79 -0.06 0.00 1.00 0.00 0.00 33.01 33.24 3ek1 s GLN 13 CO 0.01 0.12 0.68 0.00 -2.12 0.00 0.00 175.29 173.97 3ek1 s LEU 15 N -3.77 5.52 -0.10 0.00 2.96 -0.42 -1.21 118.68 121.66 3ek1 s LEU 15 Ca 0.48 -1.41 -0.00 0.00 -0.22 0.00 0.00 54.13 52.98 3ek1 s LEU 15 Cb -0.10 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.48 3ek1 s LEU 15 CO 0.31 -0.63 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.96 3ek1 s VAL 16 N 1.57 0.89 -1.67 1.68 1.01 -0.48 -0.95 120.40 122.46 3ek1 s VAL 16 Ca 0.04 -0.23 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3ek1 s VAL 16 Cb -0.24 -0.92 0.14 0.00 0.00 0.00 0.00 36.38 35.35 3ek1 s VAL 16 CO 0.05 0.34 0.70 -3.20 0.00 0.00 0.00 175.10 172.99 3ek1 n ASN 17 N 4.78 -2.71 0.00 3.32 5.15 -1.26 -0.68 115.26 123.86 3ek1 n ASN 17 Ca -0.14 -1.03 0.00 0.00 -0.60 0.00 0.00 54.58 52.81 3ek1 n ASN 17 Cb 0.50 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.06 3ek1 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek1 n GLY 18 N -1.50 0.78 3.55 8.20 0.00 -1.26 -4.51 105.19 110.46 3ek1 n GLY 18 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.13 2.16 -0.26 1.61 0.52 0.14 -5.00 118.95 118.00 3ek1 s ARG 19 Ca 0.00 -0.98 -0.17 0.00 -0.52 0.00 0.00 55.73 54.06 3ek1 s ARG 19 Cb 0.00 -2.30 -0.03 0.00 0.52 0.00 0.00 34.95 33.14 3ek1 s ARG 19 CO 0.00 0.53 0.48 -1.58 0.02 0.00 0.00 175.30 174.74 3ek1 s TRP 20 N -1.12 3.27 0.11 -0.53 0.52 -1.26 -1.38 118.94 118.55 3ek1 s TRP 20 Ca 0.19 0.58 0.06 0.00 0.02 0.00 0.00 56.10 56.95 3ek1 s TRP 20 Cb -0.11 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.50 3ek1 s TRP 20 CO 0.11 -0.25 -0.15 0.96 0.02 0.00 0.00 176.95 177.64 3ek1 s ILE 21 N 2.19 1.33 0.53 2.03 -4.36 -0.35 -4.91 121.20 117.65 3ek1 s ILE 21 Ca 0.20 -1.61 0.07 0.00 -0.26 0.00 0.00 60.65 59.04 3ek1 s ILE 21 Cb -0.16 -1.44 0.05 0.00 1.25 0.00 0.00 42.46 42.17 3ek1 s ILE 21 CO 0.09 -0.34 0.72 -1.81 0.24 0.00 0.00 174.94 173.85 3ek1 s ASP 22 N -2.25 5.27 0.71 4.36 1.11 -1.26 -1.12 116.67 123.49 3ek1 s ASP 22 Ca 0.06 -0.52 -0.14 0.00 0.18 0.00 0.00 52.55 52.13 3ek1 s ASP 22 Cb -0.07 -0.26 0.03 0.00 1.07 0.00 0.00 42.92 43.69 3ek1 s ASP 22 CO 0.03 -1.14 1.15 0.00 1.18 0.00 0.00 175.17 176.39 3ek1 s ALA 23 N -2.60 2.26 0.24 5.23 0.00 -1.26 -4.93 121.76 120.69 3ek1 s ALA 23 Ca 0.59 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3ek1 s ALA 23 Cb -0.08 -3.38 0.29 0.00 0.00 0.00 0.00 23.12 19.95 3ek1 s ALA 23 CO 0.37 -1.63 1.68 0.00 0.00 0.00 0.00 175.76 176.18 3ek1 h ALA 24 N -0.28 0.98 -0.42 0.00 0.00 -1.94 -2.07 119.26 115.54 3ek1 h ALA 24 Ca -0.47 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3ek1 h ALA 24 Cb 1.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3ek1 h ALA 24 CO 0.51 0.60 0.00 -0.40 0.00 0.00 0.00 179.25 179.96 3ek1 n ASP 25 N -4.12 2.45 0.00 0.00 5.75 -1.26 -4.96 116.55 114.40 3ek1 n ASP 25 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3ek1 n ASP 25 Cb 0.41 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 3ek1 n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ek1 n GLY 26 N 1.25 1.06 3.74 6.12 0.00 -0.78 -4.99 105.19 111.59 3ek1 n GLY 26 Ca 0.16 0.00 -0.33 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 -2.19 2.78 0.19 2.61 -4.23 -1.26 -4.80 115.64 108.74 3ek1 s THR 27 Ca 0.00 0.33 -0.10 0.00 -1.18 0.00 0.00 61.69 60.75 3ek1 s THR 27 Cb 0.00 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 3ek1 s THR 27 CO 0.00 -0.25 0.33 0.42 -0.54 0.00 0.00 174.62 174.58 3ek1 s THR 28 N -2.36 0.04 -0.04 3.99 -4.23 -1.26 -1.78 115.64 110.00 3ek1 s THR 28 Ca 0.68 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.86 3ek1 s THR 28 Cb -0.23 -1.96 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 3ek1 s THR 28 CO 0.47 -0.19 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.48 3ek1 s ILE 29 N -3.99 2.02 -0.02 2.99 1.01 0.40 -4.77 121.20 118.85 3ek1 s ILE 29 Ca 0.20 -1.07 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 3ek1 s ILE 29 Cb 0.02 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3ek1 s ILE 29 CO 0.03 0.57 0.41 -0.54 0.00 0.00 0.00 174.94 175.40 3ek1 s LYS 30 N -0.32 3.97 -0.24 2.79 1.02 -1.26 -1.05 119.74 124.65 3ek1 s LYS 30 Ca 0.01 0.40 -0.05 0.00 0.02 0.00 0.00 55.97 56.35 3ek1 s LYS 30 Cb -0.12 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 3ek1 s LYS 30 CO 0.02 0.62 0.01 0.08 -0.92 0.00 0.00 175.35 175.16 3ek1 s VAL 31 N -0.86 3.78 0.15 3.17 1.01 0.30 -4.99 120.40 122.97 3ek1 s VAL 31 Ca 0.24 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3ek1 s VAL 31 Cb -0.16 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3ek1 s VAL 31 CO 0.13 0.37 0.01 -0.89 0.00 0.00 0.00 175.10 174.72 3ek1 s THR 32 N 1.54 3.83 -0.27 3.92 2.01 -1.26 -0.72 115.64 124.69 3ek1 s THR 32 Ca 0.06 -1.28 -0.25 0.00 0.31 0.00 0.00 61.69 60.52 3ek1 s THR 32 Cb -0.15 -2.90 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3ek1 s THR 32 CO -0.00 -0.04 0.87 0.21 -0.69 0.00 0.00 174.62 174.97 3ek1 s ASN 33 N -2.76 6.83 0.28 3.53 3.84 0.33 -4.64 114.94 122.35 3ek1 s ASN 33 Ca 0.27 0.97 0.24 0.00 0.21 0.00 0.00 52.86 54.55 3ek1 s ASN 33 Cb -0.10 -2.45 1.02 0.00 -0.55 0.00 0.00 41.25 39.17 3ek1 s ASN 33 CO 0.19 -0.61 1.73 -0.81 -2.79 0.00 0.00 177.10 174.81 3ek1 n PRO 34 N 6.20 0.20 0.08 0.43 -0.04 -1.26 -0.14 135.00 140.48 3ek1 n PRO 34 Ca 0.07 0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 63.87 3ek1 n PRO 34 Cb 0.47 -1.91 -0.08 0.00 -0.04 0.00 0.00 33.50 31.95 3ek1 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ek1 h ALA 35 N 2.23 0.34 0.00 0.55 0.00 -1.93 -3.41 119.26 117.05 3ek1 h ALA 35 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3ek1 h ALA 35 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ek1 h ALA 35 CO 0.00 1.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 3ek1 n ASP 36 N -3.53 0.10 0.00 0.00 5.68 -1.18 -4.91 116.55 112.71 3ek1 n ASP 36 Ca -0.04 -0.43 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 3ek1 n ASP 36 Cb 0.91 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.09 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 0.19 1.87 3.74 6.12 0.00 0.80 -5.03 105.19 112.88 3ek1 n GLY 37 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.40 4.67 -0.25 1.61 1.04 -1.25 -4.63 113.70 111.49 3ek1 s SER 38 Ca 0.00 2.33 -0.15 0.00 0.48 0.00 0.00 55.95 58.61 3ek1 s SER 38 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 3ek1 s SER 38 CO 0.00 -1.94 0.38 -0.69 0.98 0.00 0.00 173.24 171.97 3ek1 s VAL 39 N -1.88 5.18 -0.05 5.02 1.01 -1.26 -0.51 120.40 127.91 3ek1 s VAL 39 Ca 0.75 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 63.14 3ek1 s VAL 39 Cb -0.29 -3.71 -0.31 0.00 0.00 0.00 0.00 36.38 32.08 3ek1 s VAL 39 CO 0.40 0.19 0.84 0.40 0.00 0.00 0.00 175.10 176.94 3ek1 h ILE 40 N 5.26 1.39 0.00 2.22 2.04 -1.26 -3.48 117.51 123.68 3ek1 h ILE 40 Ca -0.33 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.00 3ek1 h ILE 40 Cb 1.16 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 40.33 3ek1 h ILE 40 CO 0.67 0.73 0.00 0.61 0.00 0.00 0.00 178.15 180.16 3ek1 n GLY 41 N 1.69 -1.29 3.43 5.37 0.00 -1.16 -5.02 105.19 108.20 3ek1 n GLY 41 Ca -0.16 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.60 2.23 0.10 2.61 -4.23 -1.26 -0.54 115.64 111.96 3ek1 s THR 42 Ca 0.00 -2.32 0.02 0.00 -1.18 0.00 0.00 61.69 58.21 3ek1 s THR 42 Cb 0.00 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3ek1 s THR 42 CO 0.00 -0.44 -0.07 0.68 -0.54 0.00 0.00 174.62 174.25 3ek1 s VAL 43 N -2.59 0.75 0.85 2.29 -7.23 -0.22 -4.33 120.40 109.93 3ek1 s VAL 43 Ca 0.27 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 3ek1 s VAL 43 Cb -0.04 -1.64 0.10 0.00 0.56 0.00 0.00 36.38 35.37 3ek1 s VAL 43 CO 0.12 -0.82 1.09 -2.84 -0.31 0.00 0.00 175.10 172.34 3ek1 s PRO 44 N -3.67 1.61 -0.64 4.82 0.02 -1.25 -0.45 135.00 135.44 3ek1 s PRO 44 Ca 0.11 0.96 0.03 0.00 0.02 0.00 0.00 61.00 62.11 3ek1 s PRO 44 Cb 0.04 -1.84 0.16 0.00 0.02 0.00 0.00 34.50 32.88 3ek1 s PRO 44 CO -0.04 -2.03 0.43 0.45 -0.33 0.00 0.00 177.00 175.47 3ek1 s SER 45 N -3.40 4.83 0.69 2.53 0.15 -0.73 -3.76 113.70 114.01 3ek1 s SER 45 Ca 0.63 -3.34 -0.15 0.00 0.70 0.00 0.00 55.95 53.78 3ek1 s SER 45 Cb -0.18 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.45 3ek1 s SER 45 CO 0.57 -0.20 1.15 -0.76 1.20 0.00 0.00 173.24 175.19 3ek1 s LEU 46 N -0.76 3.34 0.40 3.45 1.43 -0.63 -4.74 118.68 121.16 3ek1 s LEU 46 Ca 0.21 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.42 3ek1 s LEU 46 Cb -0.16 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.46 3ek1 s LEU 46 CO -0.07 -1.91 0.64 -0.94 0.23 0.00 0.00 176.35 174.29 3ek1 s SER 47 N -2.39 6.29 0.40 2.29 1.04 -1.26 -4.65 113.70 115.42 3ek1 s SER 47 Ca 0.70 0.64 0.11 0.00 0.48 0.00 0.00 55.95 57.88 3ek1 s SER 47 Cb -0.24 -2.12 0.92 0.00 0.10 0.00 0.00 66.02 64.68 3ek1 s SER 47 CO 0.43 -0.40 1.94 0.58 0.98 0.00 0.00 173.24 176.78 3ek1 h VAL 48 N 0.57 0.90 -0.72 5.02 2.07 -1.95 -0.50 116.25 121.64 3ek1 h VAL 48 Ca -0.49 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3ek1 h VAL 48 Cb 1.21 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 3ek1 h VAL 48 CO 0.62 0.10 0.46 0.00 0.02 0.00 0.00 177.57 178.77 3ek1 h ALA 49 N 1.64 0.93 -0.40 1.67 0.00 -1.99 0.27 119.26 121.38 3ek1 h ALA 49 Ca 0.34 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 49 Cb 0.56 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ek1 h ALA 49 CO -0.12 0.28 -0.08 1.15 0.00 0.00 0.00 179.25 180.48 3ek1 h THR 50 N 0.93 1.24 -0.47 0.00 2.02 -1.51 -2.20 112.91 112.92 3ek1 h THR 50 Ca 0.28 -1.07 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 3ek1 h THR 50 Cb -0.04 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3ek1 h THR 50 CO -0.08 0.37 0.12 0.40 0.37 0.00 0.00 175.52 176.69 3ek1 h ILE 51 N 0.64 1.24 -0.45 3.11 1.08 -0.64 0.10 117.51 122.58 3ek1 h ILE 51 Ca 0.12 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.79 3ek1 h ILE 51 Cb 0.52 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 3ek1 h ILE 51 CO 0.03 0.29 0.30 0.11 -0.69 0.00 0.00 178.15 178.19 3ek1 h LYS 52 N 0.64 0.52 -0.40 2.37 1.57 -0.28 0.16 116.57 121.14 3ek1 h LYS 52 Ca 0.15 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 3ek1 h LYS 52 Cb 0.32 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ek1 h LYS 52 CO 0.00 0.34 -0.35 0.93 -0.57 0.00 0.00 179.45 179.80 3ek1 h GLU 53 N 0.54 0.94 -0.50 3.15 5.08 -0.64 -2.19 114.58 120.96 3ek1 h GLU 53 Ca 0.18 -0.48 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 3ek1 h GLU 53 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3ek1 h GLU 53 CO -0.04 1.13 -0.12 0.00 -1.00 0.00 0.00 179.01 178.99 3ek1 h ALA 54 N 0.81 0.85 -0.49 3.43 0.00 0.45 -1.21 119.26 123.10 3ek1 h ALA 54 Ca 0.07 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ek1 h ALA 54 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3ek1 h ALA 54 CO 0.09 0.65 0.32 0.82 0.00 0.00 0.00 179.25 181.13 3ek1 h ILE 55 N 0.83 1.13 -0.72 0.00 2.04 -0.59 -0.93 117.51 119.27 3ek1 h ILE 55 Ca 0.13 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3ek1 h ILE 55 Cb 0.65 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ek1 h ILE 55 CO 0.05 0.13 0.27 0.44 0.00 0.00 0.00 178.15 179.03 3ek1 h ASP 56 N 0.67 1.00 -0.81 1.72 3.32 -1.10 -1.55 116.42 119.67 3ek1 h ASP 56 Ca 0.18 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3ek1 h ASP 56 Cb -0.06 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.19 3ek1 h ASP 56 CO -0.04 0.90 0.48 0.00 -1.72 0.00 0.00 179.24 178.87 3ek1 h ALA 57 N 1.24 1.31 0.26 3.45 0.00 -0.81 -0.72 119.26 123.99 3ek1 h ALA 57 Ca 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 57 Cb 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ek1 h ALA 57 CO -0.02 0.58 -0.12 1.03 0.00 0.00 0.00 179.25 180.73 3ek1 h SER 58 N 1.13 -0.29 -0.05 0.00 0.87 -0.49 -0.29 113.55 114.43 3ek1 h SER 58 Ca 0.29 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 3ek1 h SER 58 Cb -0.03 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3ek1 h SER 58 CO -0.05 -0.11 0.03 0.00 -0.53 0.00 0.00 176.83 176.17 3ek1 h ALA 59 N 0.25 1.97 -0.46 6.23 0.00 -1.16 -0.89 119.26 125.21 3ek1 h ALA 59 Ca -0.04 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3ek1 h ALA 59 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ek1 h ALA 59 CO 0.06 0.03 -0.07 -0.22 0.00 0.00 0.00 179.25 179.04 3ek1 h LYS 60 N 0.06 0.86 0.00 0.00 1.63 -0.39 -3.18 116.57 115.54 3ek1 h LYS 60 Ca 0.02 -0.31 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3ek1 h LYS 60 Cb -0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3ek1 h LYS 60 CO -0.00 0.94 0.00 0.00 -3.45 0.00 0.00 179.45 176.94 3ek1 h ALA 61 N 0.89 1.00 0.04 5.00 0.00 0.20 -3.37 119.26 123.01 3ek1 h ALA 61 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 61 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3ek1 h ALA 61 CO 0.04 0.00 -0.02 1.25 0.00 0.00 0.00 179.25 180.52 3ek1 h LEU 62 N 0.00 -0.04 -0.27 0.00 5.85 -1.20 -2.20 115.31 117.44 3ek1 h LEU 62 Ca 0.00 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3ek1 h LEU 62 Cb 0.74 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 3ek1 h LEU 62 CO 0.00 0.02 -0.16 -1.28 -0.34 0.00 0.00 178.44 176.68 3ek1 h SER 63 N -0.10 -0.52 -0.51 1.25 0.87 -1.75 0.21 113.55 113.01 3ek1 h SER 63 Ca -0.00 0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.57 3ek1 h SER 63 Cb 0.08 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3ek1 h SER 63 CO 0.01 -0.19 -0.09 1.23 -0.53 0.00 0.00 176.83 177.26 3ek1 h GLY 64 N -0.13 1.06 1.00 5.77 0.00 -1.78 -1.87 103.07 107.12 3ek1 h GLY 64 Ca 0.15 -0.83 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 3ek1 h GLY 64 CO -0.35 0.76 -0.35 -0.25 0.00 0.00 0.00 176.54 176.35 3ek1 h TRP 65 N 0.88 0.90 -0.28 5.60 2.91 -0.74 -3.02 115.95 122.19 3ek1 h TRP 65 Ca 0.14 -0.29 -0.06 0.00 1.13 0.00 0.00 58.89 59.82 3ek1 h TRP 65 Cb 0.63 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 3ek1 h TRP 65 CO 0.04 1.05 -0.07 0.00 -1.03 0.00 0.00 178.44 178.44 3ek1 h ALA 66 N 0.69 1.37 0.00 2.65 0.00 -0.52 -2.85 119.26 120.60 3ek1 h ALA 66 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3ek1 h ALA 66 Cb 0.93 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ek1 h ALA 66 CO 0.08 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3ek1 h ALA 67 N 1.51 1.00 -2.68 0.00 0.00 -1.31 -3.45 119.26 114.33 3ek1 h ALA 67 Ca 0.09 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.45 3ek1 h ALA 67 Cb 0.39 0.00 0.18 0.00 0.00 0.00 0.00 17.79 18.36 3ek1 h ALA 67 CO 0.02 0.00 0.14 1.63 0.00 0.00 0.00 179.25 181.04 3ek1 n LYS 68 N -2.96 0.44 -1.20 0.00 5.02 -1.08 -4.99 118.16 113.39 3ek1 n LYS 68 Ca 0.02 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.21 3ek1 n LYS 68 Cb 0.40 -2.26 0.11 0.00 -0.02 0.00 0.00 35.03 33.25 3ek1 n LYS 68 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ek1 s THR 69 N -1.88 2.88 0.21 -0.18 -4.23 -1.26 -4.89 115.64 106.28 3ek1 s THR 69 Ca 0.73 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 61.46 3ek1 s THR 69 Cb -0.33 -2.69 0.15 0.00 1.34 0.00 0.00 72.50 70.97 3ek1 s THR 69 CO 0.51 -0.34 1.86 0.00 -0.54 0.00 0.00 174.62 176.10 3ek1 h ALA 70 N -1.08 0.94 -0.90 3.99 0.00 -1.94 -2.03 119.26 118.24 3ek1 h ALA 70 Ca -0.44 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.51 3ek1 h ALA 70 Cb 1.25 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 3ek1 h ALA 70 CO 0.49 0.26 0.58 -0.22 0.00 0.00 0.00 179.25 180.36 3ek1 h LYS 71 N 0.91 0.96 -0.00 0.00 3.64 -1.92 0.33 116.57 120.48 3ek1 h LYS 71 Ca 0.29 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3ek1 h LYS 71 Cb -0.01 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3ek1 h LYS 71 CO -0.10 0.63 -0.00 0.93 -2.27 0.00 0.00 179.45 178.64 3ek1 h GLU 72 N 0.99 0.01 -0.75 1.90 5.08 -1.78 -2.07 114.58 117.95 3ek1 h GLU 72 Ca 0.40 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 3ek1 h GLU 72 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3ek1 h GLU 72 CO -0.16 0.48 0.47 0.00 -1.00 0.00 0.00 179.01 178.80 3ek1 h ARG 73 N -0.46 0.87 -0.87 2.33 3.08 -1.10 -2.27 114.38 115.96 3ek1 h ARG 73 Ca 0.00 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.05 3ek1 h ARG 73 Cb 0.48 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.28 3ek1 h ARG 73 CO 0.00 0.57 0.57 0.00 -1.07 0.00 0.00 179.97 180.04 3ek1 h ALA 74 N 1.34 1.49 -0.27 0.04 0.00 -0.82 -0.56 119.26 120.47 3ek1 h ALA 74 Ca 0.31 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3ek1 h ALA 74 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ek1 h ALA 74 CO -0.13 0.40 0.06 0.78 0.00 0.00 0.00 179.25 180.36 3ek1 h GLY 75 N 1.04 0.48 0.91 0.00 0.00 -0.81 0.14 103.07 104.83 3ek1 h GLY 75 Ca 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 3ek1 h GLY 75 CO -0.12 0.28 0.09 -2.22 0.00 0.00 0.00 176.54 174.58 3ek1 h ILE 76 N 0.27 1.15 -0.61 2.60 2.04 -1.22 -1.44 117.51 120.30 3ek1 h ILE 76 Ca 0.09 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3ek1 h ILE 76 Cb 0.30 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 3ek1 h ILE 76 CO 0.00 0.14 0.28 -0.07 0.00 0.00 0.00 178.15 178.51 3ek1 h LEU 77 N 0.19 0.81 -1.33 1.44 3.38 -0.92 -1.15 115.31 117.74 3ek1 h LEU 77 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ek1 h LEU 77 Cb 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3ek1 h LEU 77 CO -0.01 0.72 0.44 -0.09 0.09 0.00 0.00 178.44 179.59 3ek1 h ARG 78 N 0.84 0.89 -0.52 1.13 2.43 -0.52 -0.87 114.38 117.76 3ek1 h ARG 78 Ca 0.21 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3ek1 h ARG 78 Cb 0.14 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 3ek1 h ARG 78 CO -0.02 0.59 0.31 -0.22 -1.51 0.00 0.00 179.97 179.12 3ek1 h LYS 79 N 0.91 0.60 -0.19 0.20 3.64 -0.31 0.11 116.57 121.53 3ek1 h LYS 79 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3ek1 h LYS 79 Cb -0.09 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3ek1 h LYS 79 CO -0.05 0.40 0.12 2.35 -2.27 0.00 0.00 179.45 179.99 3ek1 h TRP 80 N 0.62 0.22 -0.31 1.91 7.01 -0.49 -1.34 115.95 123.56 3ek1 h TRP 80 Ca 0.21 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.28 3ek1 h TRP 80 Cb 0.03 -0.07 -0.05 0.00 -2.10 0.00 0.00 29.16 26.97 3ek1 h TRP 80 CO -0.07 0.14 -0.02 0.35 -2.79 0.00 0.00 178.44 176.05 3ek1 h PHE 81 N 0.24 -0.06 -0.76 2.65 3.57 -0.81 -0.12 116.94 121.66 3ek1 h PHE 81 Ca 0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3ek1 h PHE 81 Cb -0.02 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3ek1 h PHE 81 CO -0.07 -0.08 0.28 -0.44 -2.23 0.00 0.00 178.31 175.78 3ek1 h ASP 82 N 0.06 1.07 -0.62 0.41 3.32 -0.58 -1.60 116.42 118.49 3ek1 h ASP 82 Ca 0.15 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3ek1 h ASP 82 Cb 0.21 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3ek1 h ASP 82 CO -0.27 0.96 0.23 -0.07 -1.72 0.00 0.00 179.24 178.37 3ek1 h LEU 83 N 1.11 0.86 -0.30 1.55 3.38 -0.69 -1.83 115.31 119.39 3ek1 h LEU 83 Ca 0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ek1 h LEU 83 Cb 0.24 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ek1 h LEU 83 CO -0.02 0.81 0.16 0.40 0.09 0.00 0.00 178.44 179.89 3ek1 h ILE 84 N 0.87 1.14 -0.43 1.22 2.04 -0.64 -0.37 117.51 121.33 3ek1 h ILE 84 Ca 0.20 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3ek1 h ILE 84 Cb 0.23 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 3ek1 h ILE 84 CO -0.01 0.14 0.27 0.40 0.00 0.00 0.00 178.15 178.94 3ek1 h ILE 85 N 0.37 1.08 -0.59 -0.67 1.08 -1.22 -1.34 117.51 116.22 3ek1 h ILE 85 Ca 0.11 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 3ek1 h ILE 85 Cb 0.07 0.49 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 3ek1 h ILE 85 CO -0.02 0.10 0.38 0.00 -0.69 0.00 0.00 178.15 177.93 3ek1 h ALA 86 N 1.17 1.55 -0.77 1.87 0.00 -0.91 -2.52 119.26 119.65 3ek1 h ALA 86 Ca 0.16 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 3ek1 h ALA 86 Cb -0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 17.79 17.37 3ek1 h ALA 86 CO -0.05 0.40 0.30 0.09 0.00 0.00 0.00 179.25 179.99 3ek1 n ASN 87 N -4.44 4.84 -0.27 0.00 3.02 -0.19 -4.71 115.26 113.51 3ek1 n ASN 87 Ca 0.06 -3.25 -0.02 0.00 -0.03 0.00 0.00 54.58 51.34 3ek1 n ASN 87 Cb 0.05 -0.76 0.10 0.00 -0.61 0.00 0.00 39.78 38.57 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 2.63 1.01 -0.08 5.41 0.00 -0.79 -1.86 119.26 125.58 3ek1 h ALA 88 Ca 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3ek1 h ALA 88 Cb 2.39 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.97 3ek1 h ALA 88 CO 0.77 0.22 0.02 -0.44 0.00 0.00 0.00 179.25 179.82 3ek1 h ASP 89 N 0.88 0.12 -0.75 0.00 3.32 -1.85 0.11 116.42 118.25 3ek1 h ASP 89 Ca 0.32 -0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3ek1 h ASP 89 Cb 0.10 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 3ek1 h ASP 89 CO -0.15 0.31 0.47 0.44 -1.72 0.00 0.00 179.24 178.59 3ek1 h ASP 90 N -0.07 0.76 -0.48 6.45 3.32 -1.88 -2.01 116.42 122.51 3ek1 h ASP 90 Ca 0.03 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ek1 h ASP 90 Cb 0.23 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3ek1 h ASP 90 CO -0.00 0.52 0.05 0.40 -1.72 0.00 0.00 179.24 178.49 3ek1 h ILE 91 N 0.91 1.25 -0.30 0.35 2.04 -1.11 -2.51 117.51 118.15 3ek1 h ILE 91 Ca 0.31 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3ek1 h ILE 91 Cb 0.05 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3ek1 h ILE 91 CO -0.13 0.34 0.18 0.00 0.00 0.00 0.00 178.15 178.55 3ek1 h ALA 92 N 0.95 1.77 -0.09 1.87 0.00 -0.40 -1.56 119.26 121.79 3ek1 h ALA 92 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3ek1 h ALA 92 Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3ek1 h ALA 92 CO 0.01 0.21 -0.18 1.25 0.00 0.00 0.00 179.25 180.54 3ek1 h LEU 93 N 0.40 0.31 -0.59 0.00 5.85 -1.00 -0.35 115.31 119.94 3ek1 h LEU 93 Ca 0.11 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.37 3ek1 h LEU 93 Cb -0.03 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.83 3ek1 h LEU 93 CO -0.02 0.82 0.11 0.40 -0.34 0.00 0.00 178.44 179.41 3ek1 h ILE 94 N -0.19 0.63 0.75 4.05 2.04 -1.19 -0.38 117.51 123.22 3ek1 h ILE 94 Ca 0.00 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3ek1 h ILE 94 Cb 0.77 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3ek1 h ILE 94 CO 0.04 0.04 -0.36 -0.03 0.00 0.00 0.00 178.15 177.84 3ek1 h MET 95 N 0.24 -0.97 -0.98 2.37 4.05 -1.12 -2.05 114.93 116.47 3ek1 h MET 95 Ca 0.31 0.07 0.17 0.00 -0.28 0.00 0.00 59.70 59.96 3ek1 h MET 95 Cb 0.46 0.22 -0.09 0.00 -0.80 0.00 0.00 31.60 31.39 3ek1 h MET 95 CO -0.41 -0.63 0.61 1.15 0.23 0.00 0.00 176.91 177.87 3ek1 h THR 96 N -1.09 0.77 0.09 -0.77 2.02 -0.93 0.86 112.91 113.86 3ek1 h THR 96 Ca -0.10 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 3ek1 h THR 96 Cb 0.79 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3ek1 h THR 96 CO 0.17 0.14 -0.04 0.28 0.37 0.00 0.00 175.52 176.44 3ek1 h SER 97 N 0.77 -0.10 1.04 4.18 0.02 -0.53 -0.11 113.55 118.82 3ek1 h SER 97 Ca 0.53 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 61.26 3ek1 h SER 97 Cb 0.81 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 3ek1 h SER 97 CO -0.31 -0.01 -1.02 1.05 -1.14 0.00 0.00 176.83 175.41 3ek1 h GLU 98 N -0.19 0.00 0.00 3.45 4.11 -1.07 -3.37 114.58 117.52 3ek1 h GLU 98 Ca -0.01 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.14 3ek1 h GLU 98 Cb 0.15 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3ek1 h GLU 98 CO 0.02 0.55 -2.06 0.94 0.07 0.00 0.00 179.01 178.53 3ek1 n GLN 99 N -3.14 0.47 0.00 1.06 0.00 0.27 -4.50 117.38 111.54 3ek1 n GLN 99 Ca -0.04 0.11 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 3ek1 n GLN 99 Cb 0.85 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 29.72 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 2.59 1.26 3.74 1.69 0.00 -0.06 -4.74 105.19 109.67 3ek1 n GLY 100 Ca -0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.02 2.53 0.53 1.61 -2.85 -1.26 -4.31 119.74 115.98 3ek1 s LYS 101 Ca 0.00 1.64 -0.22 0.00 -1.00 0.00 0.00 55.97 56.39 3ek1 s LYS 101 Cb 0.00 -1.89 -0.05 0.00 -2.06 0.00 0.00 37.83 33.82 3ek1 s LYS 101 CO 0.00 -1.51 1.34 -2.14 0.10 0.00 0.00 175.35 173.14 3ek1 s PRO 102 N -3.86 3.23 0.35 1.78 0.02 -1.26 -4.40 135.00 130.86 3ek1 s PRO 102 Ca 0.72 2.18 0.17 0.00 0.02 0.00 0.00 61.00 64.09 3ek1 s PRO 102 Cb -0.26 -2.28 1.19 0.00 0.02 0.00 0.00 34.50 33.16 3ek1 s PRO 102 CO 0.41 -1.10 1.62 -0.07 -0.33 0.00 0.00 177.00 177.53 3ek1 h LEU 103 N 1.55 0.36 -0.93 -5.54 3.38 -1.72 0.89 115.31 113.30 3ek1 h LEU 103 Ca -0.51 0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.59 3ek1 h LEU 103 Cb 1.29 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 3ek1 h LEU 103 CO 0.58 -0.29 -0.33 0.00 0.09 0.00 0.00 178.44 178.48 3ek1 h ALA 104 N 1.93 1.10 -0.01 1.53 0.00 -1.89 0.26 119.26 122.17 3ek1 h ALA 104 Ca 0.78 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 104 Cb 1.91 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 19.61 3ek1 h ALA 104 CO -0.70 0.57 -0.89 0.93 0.00 0.00 0.00 179.25 179.16 3ek1 h GLU 105 N 0.32 0.62 -0.38 0.00 5.08 -1.26 -1.84 114.58 117.12 3ek1 h GLU 105 Ca 0.04 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 3ek1 h GLU 105 Cb 0.74 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3ek1 h GLU 105 CO 0.06 1.26 0.21 0.00 -1.00 0.00 0.00 179.01 179.54 3ek1 h ALA 106 N 0.38 0.48 -0.60 3.43 0.00 -0.67 0.21 119.26 122.50 3ek1 h ALA 106 Ca -0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 106 Cb 1.56 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3ek1 h ALA 106 CO 0.18 0.00 0.13 -0.09 0.00 0.00 0.00 179.25 179.47 3ek1 h ARG 107 N 0.49 0.94 -0.84 0.00 2.43 -0.55 0.61 114.38 117.45 3ek1 h ARG 107 Ca 0.13 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3ek1 h ARG 107 Cb 0.04 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3ek1 h ARG 107 CO -0.02 0.85 0.53 0.78 -1.51 0.00 0.00 179.97 180.60 3ek1 h GLY 108 N 1.02 1.20 1.33 2.80 0.00 -0.84 -2.37 103.07 106.21 3ek1 h GLY 108 Ca 0.19 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3ek1 h GLY 108 CO 0.00 0.46 -0.22 -2.09 0.00 0.00 0.00 176.54 174.70 3ek1 h GLU 109 N 1.15 0.77 -0.86 4.80 4.81 0.18 -1.38 114.58 124.04 3ek1 h GLU 109 Ca 0.30 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3ek1 h GLU 109 Cb -0.09 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.21 3ek1 h GLU 109 CO -0.06 0.92 0.43 0.28 -0.73 0.00 0.00 179.01 179.85 3ek1 h VAL 110 N 0.67 1.26 -0.25 0.32 2.07 -0.67 0.23 116.25 119.87 3ek1 h VAL 110 Ca 0.09 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3ek1 h VAL 110 Cb 0.73 0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3ek1 h VAL 110 CO 0.06 0.31 -0.26 -0.07 0.02 0.00 0.00 177.57 177.62 3ek1 h LEU 111 N 1.22 0.67 -0.36 2.57 4.07 -1.03 -0.62 115.31 121.83 3ek1 h LEU 111 Ca 0.30 -0.48 0.06 0.00 0.08 0.00 0.00 57.88 57.84 3ek1 h LEU 111 Cb 0.09 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 41.58 3ek1 h LEU 111 CO -0.04 1.01 0.00 0.22 -1.08 0.00 0.00 178.44 178.55 3ek1 h TYR 112 N 0.34 -0.01 -0.36 1.13 3.20 -1.08 -0.46 116.97 119.73 3ek1 h TYR 112 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3ek1 h TYR 112 Cb 0.83 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3ek1 h TYR 112 CO 0.08 -0.06 0.23 0.00 -1.64 0.00 0.00 178.16 176.76 3ek1 h ALA 113 N 1.31 0.46 -0.35 1.82 0.00 -0.45 -1.52 119.26 120.53 3ek1 h ALA 113 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 113 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3ek1 h ALA 113 CO -0.29 -0.06 0.22 0.00 0.00 0.00 0.00 179.25 179.13 3ek1 h ALA 114 N 1.11 1.72 0.00 0.00 0.00 -0.79 -2.96 119.26 118.34 3ek1 h ALA 114 Ca 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 114 Cb -0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3ek1 h ALA 114 CO -0.03 0.25 -0.16 0.66 0.00 0.00 0.00 179.25 179.97 3ek1 h SER 115 N 0.48 0.00 -0.59 0.00 4.64 0.00 -0.71 113.55 117.37 3ek1 h SER 115 Ca 0.13 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3ek1 h SER 115 Cb -0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 3ek1 h SER 115 CO -0.03 0.16 0.21 -0.26 -0.87 0.00 0.00 176.83 176.05 3ek1 h PHE 116 N 0.00 0.96 -0.19 4.77 0.04 -1.49 0.11 116.94 121.13 3ek1 h PHE 116 Ca -0.00 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 3ek1 h PHE 116 Cb 0.29 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 3ek1 h PHE 116 CO 0.00 0.76 -0.20 0.82 -0.60 0.00 0.00 178.31 179.09 3ek1 h ILE 117 N 0.92 1.33 0.35 -0.55 2.04 -1.23 -0.25 117.51 120.12 3ek1 h ILE 117 Ca 0.21 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.69 3ek1 h ILE 117 Cb 0.23 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ek1 h ILE 117 CO -0.01 0.41 -0.17 -0.08 0.00 0.00 0.00 178.15 178.30 3ek1 h GLU 118 N 0.14 -0.46 -0.47 2.37 4.81 -1.20 -0.78 114.58 118.99 3ek1 h GLU 118 Ca 0.03 0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.38 3ek1 h GLU 118 Cb 0.74 0.10 -0.10 0.00 0.63 0.00 0.00 28.75 30.13 3ek1 h GLU 118 CO 0.05 -0.30 -0.30 2.35 -0.73 0.00 0.00 179.01 180.08 3ek1 h TRP 119 N -0.48 -0.81 0.00 0.92 2.91 -0.69 -2.41 115.95 115.39 3ek1 h TRP 119 Ca -0.05 0.06 -0.04 0.00 1.13 0.00 0.00 58.89 59.99 3ek1 h TRP 119 Cb 0.37 0.43 -0.01 0.00 -0.51 0.00 0.00 29.16 29.44 3ek1 h TRP 119 CO -0.05 -0.36 -0.19 0.74 -1.03 0.00 0.00 178.44 177.55 3ek1 h PHE 120 N -0.19 0.00 -0.77 2.65 0.04 -0.99 -0.62 116.94 117.05 3ek1 h PHE 120 Ca 0.20 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3ek1 h PHE 120 Cb 0.52 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 3ek1 h PHE 120 CO -0.55 0.19 0.43 0.00 -0.60 0.00 0.00 178.31 177.78 3ek1 h ALA 121 N 1.81 0.99 -0.43 2.45 0.00 -0.66 -0.10 119.26 123.32 3ek1 h ALA 121 Ca -0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3ek1 h ALA 121 Cb 0.90 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ek1 h ALA 121 CO 0.02 0.49 -0.23 0.93 0.00 0.00 0.00 179.25 180.46 3ek1 h GLU 122 N 1.07 0.92 0.00 0.00 5.08 -1.05 -3.19 114.58 117.41 3ek1 h GLU 122 Ca 0.27 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3ek1 h GLU 122 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3ek1 h GLU 122 CO -0.05 1.07 -0.19 0.93 -1.00 0.00 0.00 179.01 179.78 3ek1 h GLU 123 N 0.75 0.00 -0.93 2.33 4.39 -0.73 -2.98 114.58 117.42 3ek1 h GLU 123 Ca 0.09 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.96 3ek1 h GLU 123 Cb 0.81 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.36 3ek1 h GLU 123 CO 0.07 0.19 0.52 0.00 -1.16 0.00 0.00 179.01 178.63 3ek1 h ALA 124 N 1.81 1.46 -0.04 3.43 0.00 -1.00 0.40 119.26 125.32 3ek1 h ALA 124 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 124 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ek1 h ALA 124 CO 0.02 -0.06 0.00 1.63 0.00 0.00 0.00 179.25 180.84 3ek1 n LYS 125 N -4.82 1.18 -0.72 0.00 5.02 -1.13 -3.70 118.16 113.99 3ek1 n LYS 125 Ca 0.20 -0.26 0.05 0.00 -2.02 0.00 0.00 58.31 56.28 3ek1 n LYS 125 Cb 0.50 -1.33 0.10 0.00 -0.02 0.00 0.00 35.03 34.28 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 -0.53 0.78 -2.41 1.97 1.74 0.12 -4.93 116.66 113.41 3ek1 n ARG 126 Ca 0.15 -2.36 -0.37 0.00 -0.77 0.00 0.00 57.85 54.50 3ek1 n ARG 126 Cb 0.13 -0.93 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.65 3.78 -0.01 1.55 1.01 -1.15 -4.97 120.40 118.96 3ek1 s VAL 127 Ca 0.29 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.44 3ek1 s VAL 127 Cb 0.29 -4.74 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 3ek1 s VAL 127 CO -0.06 -1.64 0.55 -0.31 0.00 0.00 0.00 175.10 173.63 3ek1 s TYR 128 N 6.51 3.69 0.13 5.22 2.02 -1.26 -4.88 117.35 128.77 3ek1 s TYR 128 Ca 0.53 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 58.38 3ek1 s TYR 128 Cb -0.02 -2.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.03 3ek1 s TYR 128 CO -0.07 0.41 0.18 0.41 -1.57 0.00 0.00 175.55 174.91 3ek1 n GLY 129 N 2.35 1.56 3.26 0.71 0.00 -1.26 -4.82 105.19 106.99 3ek1 n GLY 129 Ca -0.09 -2.09 -0.17 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.77 2.01 -0.05 1.61 1.01 0.26 -4.97 116.67 114.76 3ek1 s ASP 130 Ca 0.13 -0.92 0.04 0.00 0.71 0.00 0.00 52.55 52.51 3ek1 s ASP 130 Cb -0.01 -0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.84 3ek1 s ASP 130 CO 0.08 -0.22 -0.17 0.42 0.21 0.00 0.00 175.17 175.49 3ek1 s THR 131 N -2.73 2.82 -0.06 -1.27 -4.23 -1.26 -0.85 115.64 108.06 3ek1 s THR 131 Ca 0.14 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 59.90 3ek1 s THR 131 Cb -0.01 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.73 3ek1 s THR 131 CO 0.03 0.58 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.84 3ek1 s ILE 132 N -0.54 1.84 0.12 2.99 1.01 0.03 -5.00 121.20 121.65 3ek1 s ILE 132 Ca 0.07 -0.93 -0.34 0.00 0.00 0.00 0.00 60.65 59.45 3ek1 s ILE 132 Cb -0.11 -1.57 -0.13 0.00 0.01 0.00 0.00 42.46 40.65 3ek1 s ILE 132 CO 0.01 0.51 1.64 -2.65 0.00 0.00 0.00 174.94 174.46 3ek1 n PRO 133 N 3.14 2.21 -2.62 2.79 -0.02 -1.26 -3.79 135.00 135.45 3ek1 n PRO 133 Ca -0.18 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3ek1 n PRO 133 Cb 0.52 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.49 3.30 0.63 3.55 0.00 -1.26 -4.95 121.76 124.50 3ek1 s ALA 134 Ca 0.81 0.57 0.38 0.00 0.00 0.00 0.00 51.96 53.72 3ek1 s ALA 134 Cb -0.67 -3.40 2.16 0.00 0.00 0.00 0.00 23.12 21.21 3ek1 s ALA 134 CO 0.40 -0.42 2.32 -1.35 0.00 0.00 0.00 175.76 176.71 3ek1 h PRO 135 N 6.95 0.00 -6.59 0.00 0.11 -1.93 -3.42 132.00 127.11 3ek1 h PRO 135 Ca -0.38 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.04 3ek1 h PRO 135 Cb 1.20 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.06 3ek1 h PRO 135 CO 0.80 0.00 -0.84 -0.65 -0.21 0.00 0.00 178.00 177.11 3ek1 s GLN 136 N -4.35 2.07 0.76 1.05 -0.21 -1.26 -5.12 119.66 112.59 3ek1 s GLN 136 Ca -0.05 -0.97 -0.14 0.00 0.02 0.00 0.00 55.36 54.22 3ek1 s GLN 136 Cb 0.14 -2.13 0.06 0.00 1.00 0.00 0.00 33.01 32.08 3ek1 s GLN 136 CO 0.47 0.55 1.19 -0.80 -2.12 0.00 0.00 175.29 174.58 3ek1 s ASN 137 N -1.12 3.99 -0.34 5.90 0.01 -1.26 -3.35 114.94 118.76 3ek1 s ASN 137 Ca 0.12 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.59 3ek1 s ASN 137 Cb -0.10 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 3ek1 s ASN 137 CO 0.02 -2.40 0.00 0.61 -1.51 0.00 0.00 177.10 173.83 3ek1 n GLY 138 N 0.31 0.63 3.08 0.66 0.00 -1.26 -5.01 105.19 103.59 3ek1 n GLY 138 Ca 0.13 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.72 0.57 -0.02 1.61 -0.21 -1.21 -1.22 119.66 117.46 3ek1 s GLN 139 Ca 0.00 -0.86 0.02 0.00 0.02 0.00 0.00 55.36 54.55 3ek1 s GLN 139 Cb 0.00 -0.25 -0.00 0.00 1.00 0.00 0.00 33.01 33.76 3ek1 s GLN 139 CO 0.00 0.03 -0.08 1.03 -2.12 0.00 0.00 175.29 174.16 3ek1 s ARG 140 N -1.99 0.74 -0.15 2.91 1.81 0.18 -4.62 118.95 117.82 3ek1 s ARG 140 Ca -0.06 -0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 53.67 3ek1 s ARG 140 Cb -0.07 -0.71 -0.01 0.00 -0.45 0.00 0.00 34.95 33.70 3ek1 s ARG 140 CO -0.01 0.12 -0.10 -0.51 -0.68 0.00 0.00 175.30 174.12 3ek1 s LEU 141 N 0.04 2.79 0.08 2.53 1.43 -1.25 -0.97 118.68 123.34 3ek1 s LEU 141 Ca -0.00 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 3ek1 s LEU 141 Cb -0.06 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 3ek1 s LEU 141 CO -0.00 0.12 -0.18 -0.89 0.23 0.00 0.00 176.35 175.63 3ek1 s THR 142 N 0.62 1.46 -0.08 5.49 2.01 0.38 -0.79 115.64 124.72 3ek1 s THR 142 Ca -0.06 -1.35 0.02 0.00 0.31 0.00 0.00 61.69 60.62 3ek1 s THR 142 Cb -0.15 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.04 3ek1 s THR 142 CO 0.03 -0.05 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.06 3ek1 s VAL 143 N -1.09 1.39 0.33 3.82 1.01 -0.03 -0.27 120.40 125.57 3ek1 s VAL 143 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.48 3ek1 s VAL 143 Cb -0.09 -1.26 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 3ek1 s VAL 143 CO 0.03 0.42 -0.05 0.27 0.00 0.00 0.00 175.10 175.76 3ek1 s ILE 144 N 0.72 1.88 -0.07 2.22 -4.36 -0.33 -0.58 121.20 120.69 3ek1 s ILE 144 Ca -0.13 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.16 3ek1 s ILE 144 Cb -0.16 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.92 3ek1 s ILE 144 CO 0.03 -0.18 -0.09 -0.13 0.24 0.00 0.00 174.94 174.80 3ek1 s ARG 145 N -3.70 1.43 0.13 0.37 0.52 -1.26 -1.02 118.95 115.42 3ek1 s ARG 145 Ca 0.32 -0.30 0.06 0.00 -0.52 0.00 0.00 55.73 55.29 3ek1 s ARG 145 Cb 0.05 -1.29 -0.04 0.00 0.52 0.00 0.00 34.95 34.19 3ek1 s ARG 145 CO 0.15 -0.06 -0.13 -0.65 0.02 0.00 0.00 175.30 174.63 3ek1 s GLN 146 N 0.93 1.04 0.21 3.54 -0.21 -0.51 -4.92 119.66 119.74 3ek1 s GLN 146 Ca -0.10 -1.30 -0.32 0.00 0.02 0.00 0.00 55.36 53.66 3ek1 s GLN 146 Cb -0.15 -0.84 -0.14 0.00 1.00 0.00 0.00 33.01 32.89 3ek1 s GLN 146 CO 0.01 0.15 1.43 -0.35 -2.12 0.00 0.00 175.29 174.41 3ek1 n PRO 147 N 0.33 1.99 -0.30 2.91 -0.04 -1.26 0.06 135.00 138.69 3ek1 n PRO 147 Ca -0.14 0.71 -0.01 0.00 -0.04 0.00 0.00 63.50 64.02 3ek1 n PRO 147 Cb 0.58 -2.39 0.12 0.00 -0.04 0.00 0.00 33.50 31.77 3ek1 n PRO 147 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ek1 h VAL 148 N 3.18 1.10 0.00 0.52 2.07 -1.44 -3.43 116.25 118.25 3ek1 h VAL 148 Ca -0.45 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ek1 h VAL 148 Cb 1.28 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3ek1 h VAL 148 CO 0.79 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.17 3ek1 n GLY 149 N -1.33 0.37 3.68 2.17 0.00 -1.26 -4.91 105.19 103.92 3ek1 n GLY 149 Ca 0.11 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 3ek1 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 150 N -2.24 3.80 0.17 1.61 1.01 -1.26 -2.84 120.40 120.65 3ek1 s VAL 150 Ca 0.00 1.10 0.10 0.00 0.00 0.00 0.00 61.98 63.17 3ek1 s VAL 150 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3ek1 s VAL 150 CO 0.00 -0.04 -0.21 0.42 0.00 0.00 0.00 175.10 175.27 3ek1 s THR 151 N 2.99 2.03 0.04 3.92 -4.23 -0.54 -0.52 115.64 119.34 3ek1 s THR 151 Ca 0.64 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 59.28 3ek1 s THR 151 Cb -0.30 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3ek1 s THR 151 CO 0.25 -0.22 -0.21 0.00 -0.54 0.00 0.00 174.62 173.90 3ek1 s ALA 152 N -1.84 1.82 -0.04 3.99 0.00 -0.28 -1.14 121.76 124.28 3ek1 s ALA 152 Ca 0.17 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 51.09 3ek1 s ALA 152 Cb -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 3ek1 s ALA 152 CO 0.08 0.41 -0.17 0.00 0.00 0.00 0.00 175.76 176.08 3ek1 s ALA 153 N -0.80 1.49 -0.11 0.00 0.00 -0.01 -0.82 121.76 121.51 3ek1 s ALA 153 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.35 3ek1 s ALA 153 Cb -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.58 3ek1 s ALA 153 CO 0.02 0.29 -0.10 0.42 0.00 0.00 0.00 175.76 176.39 3ek1 s ILE 154 N -0.04 1.14 0.06 0.00 1.01 -0.36 -0.58 121.20 122.43 3ek1 s ILE 154 Ca -0.02 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.30 3ek1 s ILE 154 Cb -0.10 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3ek1 s ILE 154 CO 0.02 0.38 -0.16 0.42 0.00 0.00 0.00 174.94 175.59 3ek1 s THR 155 N 1.41 1.32 0.62 2.92 -4.23 -0.70 -2.59 115.64 114.38 3ek1 s THR 155 Ca -0.00 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 59.28 3ek1 s THR 155 Cb -0.13 -1.20 0.06 0.00 1.34 0.00 0.00 72.50 72.57 3ek1 s THR 155 CO -0.06 -0.04 0.88 -2.16 -0.54 0.00 0.00 174.62 172.70 3ek1 s PRO 156 N -1.46 2.24 0.46 3.99 0.04 -1.23 -1.53 135.00 137.51 3ek1 s PRO 156 Ca 0.02 -0.78 0.25 0.00 0.04 0.00 0.00 61.00 60.54 3ek1 s PRO 156 Cb -0.09 -2.39 0.56 0.00 0.04 0.00 0.00 34.50 32.62 3ek1 s PRO 156 CO 0.02 -1.01 1.69 0.11 0.04 0.00 0.00 177.00 177.85 3ek1 h TRP 157 N -0.22 0.00 0.00 0.56 5.08 -1.93 -3.38 115.95 116.07 3ek1 h TRP 157 Ca -0.41 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.56 3ek1 h TRP 157 Cb 1.29 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.45 3ek1 h TRP 157 CO 0.20 0.01 -0.21 -2.95 -1.28 0.00 0.00 178.44 174.21 3ek1 h ASN 158 N 0.00 0.00 -2.52 0.11 -1.07 -1.95 -3.35 115.58 106.81 3ek1 h ASN 158 Ca -0.00 -0.02 -0.59 0.00 0.07 0.00 0.00 56.30 55.76 3ek1 h ASN 158 Cb 0.90 0.00 -0.39 0.00 -2.07 0.00 0.00 38.32 36.77 3ek1 h ASN 158 CO 0.00 0.01 -0.91 -0.36 0.07 0.00 0.00 177.43 176.24 3ek1 s PHE 159 N -3.20 1.13 -1.74 4.14 0.08 -1.26 -5.02 117.98 112.12 3ek1 s PHE 159 Ca 0.07 -2.17 0.28 0.00 0.12 0.00 0.00 56.93 55.23 3ek1 s PHE 159 Cb 0.09 -1.04 1.54 0.00 -0.57 0.00 0.00 43.02 43.03 3ek1 s PHE 159 CO 0.67 -0.81 1.98 -0.35 -0.10 0.00 0.00 175.22 176.61 3ek1 n PRO 160 N 3.20 0.65 -0.07 0.24 -0.04 -1.26 -2.48 135.00 135.25 3ek1 n PRO 160 Ca 0.23 0.01 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 3ek1 n PRO 160 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.35 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ek1 n ALA 161 N -1.13 1.90 0.03 0.55 0.00 -1.26 -3.93 120.51 116.67 3ek1 n ALA 161 Ca 0.17 -0.61 -0.05 0.00 0.00 0.00 0.00 53.44 52.96 3ek1 n ALA 161 Cb 0.15 0.25 0.15 0.00 0.00 0.00 0.00 19.45 20.00 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 -0.59 0.96 0.00 0.00 0.00 -1.81 -1.96 119.26 115.87 3ek1 h ALA 162 Ca -0.31 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3ek1 h ALA 162 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ek1 h ALA 162 CO -0.19 0.62 -0.10 0.52 0.00 0.00 0.00 179.25 180.10 3ek1 h MET 163 N 0.38 0.00 0.12 0.00 2.86 -1.80 0.20 114.93 116.69 3ek1 h MET 163 Ca 0.04 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 3ek1 h MET 163 Cb 0.85 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.53 3ek1 h MET 163 CO 0.07 0.10 -0.72 0.82 1.06 0.00 0.00 176.91 178.24 3ek1 h ILE 164 N 0.00 1.55 -0.00 -1.22 2.04 -1.60 -3.33 117.51 114.94 3ek1 h ILE 164 Ca -0.00 -2.51 -0.14 0.00 1.00 0.00 0.00 64.86 63.21 3ek1 h ILE 164 Cb 0.43 3.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.71 3ek1 h ILE 164 CO 0.01 0.71 -0.65 0.71 0.00 0.00 0.00 178.15 178.93 3ek1 h THR 165 N -0.44 1.46 -0.13 -0.27 1.35 -1.19 0.09 112.91 113.79 3ek1 h THR 165 Ca -0.13 -2.21 0.04 0.00 -0.55 0.00 0.00 66.41 63.56 3ek1 h THR 165 Cb 1.57 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 3ek1 h THR 165 CO 0.14 0.63 0.19 0.03 -0.25 0.00 0.00 175.52 176.25 3ek1 h ARG 166 N 0.00 0.00 0.00 4.72 3.08 -1.10 -1.55 114.38 119.53 3ek1 h ARG 166 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 3ek1 h ARG 166 Cb 1.14 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 3ek1 h ARG 166 CO 0.08 0.00 -2.15 1.63 -1.07 0.00 0.00 179.97 178.46 3ek1 n LYS 167 N -3.59 0.46 0.07 0.04 5.02 -0.90 -4.45 118.16 114.80 3ek1 n LYS 167 Ca 0.00 0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.37 3ek1 n LYS 167 Cb 0.29 -1.30 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.47 0.58 0.52 7.82 0.00 -0.97 -2.86 119.26 123.88 3ek1 h ALA 168 Ca -0.50 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 3ek1 h ALA 168 Cb 1.55 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.28 3ek1 h ALA 168 CO -0.23 0.80 -0.25 0.00 0.00 0.00 0.00 179.25 179.58 3ek1 h ALA 169 N 0.96 -0.70 -0.56 0.00 0.00 -1.50 -0.97 119.26 116.48 3ek1 h ALA 169 Ca -0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3ek1 h ALA 169 Cb 1.37 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.40 3ek1 h ALA 169 CO 0.13 -0.88 0.04 -1.00 0.00 0.00 0.00 179.25 177.53 3ek1 h PRO 170 N -0.72 0.94 0.29 0.00 0.13 -1.76 -0.73 132.00 130.14 3ek1 h PRO 170 Ca -0.07 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3ek1 h PRO 170 Cb 0.55 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.55 3ek1 h PRO 170 CO 0.12 0.91 -0.32 0.00 -0.23 0.00 0.00 178.00 178.47 3ek1 h ALA 171 N 1.16 -0.67 -0.52 -0.56 0.00 -1.45 -0.12 119.26 117.11 3ek1 h ALA 171 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3ek1 h ALA 171 Cb 0.46 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3ek1 h ALA 171 CO 0.02 -0.91 0.06 -0.07 0.00 0.00 0.00 179.25 178.35 3ek1 h LEU 172 N -0.65 0.84 -1.22 0.00 4.07 -1.14 -0.73 115.31 116.47 3ek1 h LEU 172 Ca -0.01 -0.27 0.07 0.00 0.08 0.00 0.00 57.88 57.75 3ek1 h LEU 172 Cb 0.61 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 42.07 3ek1 h LEU 172 CO -0.09 0.90 0.56 0.00 -1.08 0.00 0.00 178.44 178.73 3ek1 h ALA 173 N 0.97 1.60 0.00 1.53 0.00 -0.93 -1.68 119.26 120.74 3ek1 h ALA 173 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ek1 h ALA 173 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ek1 h ALA 173 CO 0.01 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3ek1 n ALA 174 N -2.41 1.86 -0.01 0.00 0.00 -0.07 -4.68 120.51 115.20 3ek1 n ALA 174 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3ek1 n ALA 174 Cb 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 0.43 1.00 3.92 0.00 0.00 -0.63 -4.09 105.19 105.81 3ek1 n GLY 175 Ca 0.03 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.72 4.99 0.01 0.00 -4.23 -1.13 -3.88 115.64 108.68 3ek1 s THR 177 Ca 0.48 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3ek1 s THR 177 Cb -0.10 -3.62 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3ek1 s THR 177 CO 0.43 -0.19 -0.05 -0.32 -0.54 0.00 0.00 174.62 173.95 3ek1 s MET 178 N -3.47 0.39 -0.21 3.99 0.00 0.08 -1.46 119.30 118.63 3ek1 s MET 178 Ca 0.33 -0.30 -0.04 0.00 0.00 0.00 0.00 55.69 55.68 3ek1 s MET 178 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 34.83 34.40 3ek1 s MET 178 CO 0.27 0.08 -0.03 0.42 0.00 0.00 0.00 175.02 175.76 3ek1 s ILE 179 N -0.42 3.59 -0.15 10.11 1.01 -0.29 -1.95 121.20 133.10 3ek1 s ILE 179 Ca -0.01 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 3ek1 s ILE 179 Cb -0.04 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 3ek1 s ILE 179 CO -0.00 0.43 -0.03 -0.69 0.00 0.00 0.00 174.94 174.64 3ek1 s VAL 180 N 1.27 3.95 -0.29 2.92 1.01 0.14 -0.83 120.40 128.57 3ek1 s VAL 180 Ca 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.64 3ek1 s VAL 180 Cb -0.14 -2.72 0.03 0.00 0.00 0.00 0.00 36.38 33.55 3ek1 s VAL 180 CO -0.01 0.50 0.01 -0.60 0.00 0.00 0.00 175.10 175.01 3ek1 s ARG 181 N 0.23 2.68 0.54 2.72 3.52 0.26 -0.99 118.95 127.91 3ek1 s ARG 181 Ca -0.02 -1.11 -0.08 0.00 -0.13 0.00 0.00 55.73 54.39 3ek1 s ARG 181 Cb -0.14 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3ek1 s ARG 181 CO 0.03 -0.54 0.90 -1.25 -0.81 0.00 0.00 175.30 173.63 3ek1 s PRO 182 N 1.34 3.57 0.31 5.12 0.04 -1.26 -1.73 135.00 142.40 3ek1 s PRO 182 Ca -0.02 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.19 3ek1 s PRO 182 Cb -0.18 -2.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 3ek1 s PRO 182 CO -0.01 -0.37 1.26 0.00 0.04 0.00 0.00 177.00 177.92 3ek1 n ALA 183 N -2.46 0.97 0.02 8.56 0.00 -0.58 -4.84 120.51 122.18 3ek1 n ALA 183 Ca 0.03 0.38 0.14 0.00 0.00 0.00 0.00 53.44 53.99 3ek1 n ALA 183 Cb 0.55 -2.21 0.61 0.00 0.00 0.00 0.00 19.45 18.39 3ek1 n ALA 183 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ek1 h ASP 184 N 2.72 0.14 1.40 0.00 3.32 -1.90 -2.16 116.42 119.94 3ek1 h ASP 184 Ca -0.45 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 3ek1 h ASP 184 Cb 1.29 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.81 3ek1 h ASP 184 CO 0.64 0.09 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.16 3ek1 h LEU 185 N 0.16 0.00 -5.88 1.55 3.38 -1.94 -3.38 115.31 109.19 3ek1 h LEU 185 Ca 0.21 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.72 3ek1 h LEU 185 Cb 0.61 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.00 3ek1 h LEU 185 CO -0.03 0.02 -1.10 0.35 0.09 0.00 0.00 178.44 177.78 3ek1 n THR 186 N -3.11 -0.23 0.99 0.22 -2.24 -0.82 -4.74 114.28 104.35 3ek1 n THR 186 Ca 0.02 -4.13 0.12 0.00 -2.27 0.00 0.00 64.05 57.79 3ek1 n THR 186 Cb 0.41 -0.29 0.25 0.00 -2.10 0.00 0.00 70.33 68.59 3ek1 n THR 186 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3ek1 n PRO 187 N 0.48 0.01 0.07 -0.78 -0.04 -1.20 -4.34 135.00 129.20 3ek1 n PRO 187 Ca 0.22 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.55 3ek1 n PRO 187 Cb 0.64 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.55 3ek1 n PRO 187 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3ek1 h LEU 188 N 0.00 0.54 -0.55 1.53 3.38 -1.92 -2.42 115.31 115.87 3ek1 h LEU 188 Ca 0.00 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.56 3ek1 h LEU 188 Cb 0.51 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ek1 h LEU 188 CO 0.00 1.23 0.34 0.74 0.09 0.00 0.00 178.44 180.84 3ek1 h THR 189 N 0.23 1.07 -0.53 0.22 2.02 -1.86 0.22 112.91 114.28 3ek1 h THR 189 Ca -0.08 -0.23 0.08 0.00 0.77 0.00 0.00 66.41 66.95 3ek1 h THR 189 Cb 1.59 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 3ek1 h THR 189 CO 0.16 0.12 0.17 0.00 0.37 0.00 0.00 175.52 176.35 3ek1 h ALA 190 N 1.24 0.65 -0.16 6.16 0.00 -1.64 -0.50 119.26 125.00 3ek1 h ALA 190 Ca 0.22 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 190 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3ek1 h ALA 190 CO -0.09 -0.23 -0.44 -0.07 0.00 0.00 0.00 179.25 178.42 3ek1 h LEU 191 N 0.34 0.42 -0.18 0.00 3.38 -0.90 0.10 115.31 118.47 3ek1 h LEU 191 Ca 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ek1 h LEU 191 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ek1 h LEU 191 CO -0.28 0.81 0.08 0.00 0.09 0.00 0.00 178.44 179.14 3ek1 h ALA 192 N 1.21 0.23 -0.72 1.53 0.00 -0.32 -1.07 119.26 120.12 3ek1 h ALA 192 Ca 0.02 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 192 Cb 0.91 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 3ek1 h ALA 192 CO 0.08 -0.20 0.47 -0.07 0.00 0.00 0.00 179.25 179.53 3ek1 h LEU 193 N 0.16 0.56 -0.80 0.00 3.38 -0.64 -1.30 115.31 116.67 3ek1 h LEU 193 Ca 0.06 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3ek1 h LEU 193 Cb 0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ek1 h LEU 193 CO -0.01 0.34 -0.22 1.23 0.09 0.00 0.00 178.44 179.88 3ek1 h GLY 194 N 0.63 0.72 0.96 0.83 0.00 -0.05 -1.08 103.07 105.08 3ek1 h GLY 194 Ca 0.33 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3ek1 h GLY 194 CO -0.11 0.54 0.22 -2.08 0.00 0.00 0.00 176.54 175.11 3ek1 h VAL 195 N 0.58 1.18 0.00 4.60 2.07 -0.08 -2.00 116.25 122.61 3ek1 h VAL 195 Ca 0.09 -0.50 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3ek1 h VAL 195 Cb 0.69 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3ek1 h VAL 195 CO 0.05 0.19 -0.44 -0.07 0.02 0.00 0.00 177.57 177.33 3ek1 h LEU 196 N 0.58 0.00 -0.49 2.57 3.38 -1.26 -2.34 115.31 117.75 3ek1 h LEU 196 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ek1 h LEU 196 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ek1 h LEU 196 CO -0.02 0.44 0.30 0.00 0.09 0.00 0.00 178.44 179.25 3ek1 h ALA 197 N 1.56 0.63 0.04 1.53 0.00 -0.71 0.11 119.26 122.41 3ek1 h ALA 197 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 197 Cb 0.85 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3ek1 h ALA 197 CO 0.06 0.11 -0.02 0.93 0.00 0.00 0.00 179.25 180.33 3ek1 h GLU 198 N 0.66 -0.05 -0.60 0.00 5.08 -1.03 -2.14 114.58 116.50 3ek1 h GLU 198 Ca 0.18 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3ek1 h GLU 198 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3ek1 h GLU 198 CO -0.03 -0.03 0.40 -0.22 -1.00 0.00 0.00 179.01 178.12 3ek1 h LYS 199 N -0.05 0.66 0.00 2.33 3.64 -1.23 -0.46 116.57 121.47 3ek1 h LYS 199 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3ek1 h LYS 199 Cb 0.04 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3ek1 h LYS 199 CO 0.01 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 3ek1 h ALA 200 N 1.66 1.00 0.00 5.00 0.00 -0.30 -3.46 119.26 123.15 3ek1 h ALA 200 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3ek1 h ALA 200 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3ek1 h ALA 200 CO -0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3ek1 n GLY 201 N -0.13 1.04 3.66 0.00 0.00 -0.18 -4.74 105.19 104.84 3ek1 n GLY 201 Ca 0.01 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 4.30 0.81 -0.61 1.01 -0.85 -5.00 121.20 118.87 3ek1 s ILE 202 Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 60.65 62.09 3ek1 s ILE 202 Cb 0.00 -4.05 0.09 0.00 0.01 0.00 0.00 42.46 38.51 3ek1 s ILE 202 CO 0.00 -0.18 1.17 -2.84 0.00 0.00 0.00 174.94 173.08 3ek1 s PRO 203 N 3.56 1.67 0.12 2.79 0.02 -1.26 -4.61 135.00 137.29 3ek1 s PRO 203 Ca 0.54 1.59 -0.34 0.00 0.02 0.00 0.00 61.00 62.81 3ek1 s PRO 203 Cb -0.20 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 3ek1 s PRO 203 CO 0.15 -2.15 1.58 0.00 -0.33 0.00 0.00 177.00 176.25 3ek1 n ALA 204 N -3.48 1.02 0.00 -1.55 0.00 -1.26 -1.65 120.51 113.60 3ek1 n ALA 204 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3ek1 n ALA 204 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.42 2.50 0.14 0.00 0.00 -1.26 -4.69 105.19 105.30 3ek1 n GLY 205 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.62 1.61 2.07 -1.64 -3.37 116.25 112.68 3ek1 h VAL 206 Ca 0.00 -1.52 -0.66 0.00 0.82 0.00 0.00 66.70 65.34 3ek1 h VAL 206 Cb 0.00 2.07 -0.32 0.00 -1.52 0.00 0.00 31.29 31.52 3ek1 h VAL 206 CO 0.00 0.44 -0.87 -0.22 0.02 0.00 0.00 177.57 176.94 3ek1 s LEU 207 N -8.90 2.03 0.01 2.57 2.96 -1.26 -0.74 118.68 115.36 3ek1 s LEU 207 Ca -0.14 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3ek1 s LEU 207 Cb 0.05 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.41 3ek1 s LEU 207 CO 0.77 0.18 -0.02 -1.10 -1.32 0.00 0.00 176.35 174.86 3ek1 s GLN 208 N 0.17 0.19 -0.12 1.98 -0.21 -0.82 -4.78 119.66 116.06 3ek1 s GLN 208 Ca -0.12 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.88 3ek1 s GLN 208 Cb -0.16 0.05 0.03 0.00 1.00 0.00 0.00 33.01 33.94 3ek1 s GLN 208 CO 0.06 -0.03 -0.03 0.42 -2.12 0.00 0.00 175.29 173.60 3ek1 s ILE 209 N -0.86 0.75 -0.06 1.08 -1.09 -0.12 -0.68 121.20 120.22 3ek1 s ILE 209 Ca -0.09 -0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 3ek1 s ILE 209 Cb -0.06 -0.92 0.01 0.00 -1.58 0.00 0.00 42.46 39.90 3ek1 s ILE 209 CO -0.01 0.19 -0.15 0.68 -1.23 0.00 0.00 174.94 174.43 3ek1 s VAL 210 N 1.80 1.30 0.16 2.92 -7.23 -0.16 -1.30 120.40 117.90 3ek1 s VAL 210 Ca 0.03 -0.60 0.08 0.00 -1.81 0.00 0.00 61.98 59.68 3ek1 s VAL 210 Cb -0.14 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 3ek1 s VAL 210 CO -0.07 0.39 -0.07 0.42 -0.31 0.00 0.00 175.10 175.46 3ek1 s THR 211 N 0.42 3.37 -5.00 5.32 -4.23 -1.26 -4.08 115.64 110.18 3ek1 s THR 211 Ca -0.11 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3ek1 s THR 211 Cb -0.14 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.04 3ek1 s THR 211 CO 0.04 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3ek1 n GLY 212 N 0.13 -0.60 3.71 3.99 0.00 -1.25 -1.61 105.19 109.56 3ek1 n GLY 212 Ca -0.11 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 213 N -1.66 4.14 0.11 1.61 1.02 -1.26 -4.86 119.74 118.84 3ek1 s LYS 213 Ca 0.00 2.58 -0.23 0.00 0.02 0.00 0.00 55.97 58.34 3ek1 s LYS 213 Cb 0.00 -3.26 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 3ek1 s LYS 213 CO 0.00 -0.77 1.70 0.00 -0.92 0.00 0.00 175.35 175.36 3ek1 h ALA 214 N 7.41 -0.06 0.03 5.17 0.00 -1.98 -1.45 119.26 128.37 3ek1 h ALA 214 Ca -0.44 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3ek1 h ALA 214 Cb 1.21 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3ek1 h ALA 214 CO 0.95 -0.57 -0.01 -0.09 0.00 0.00 0.00 179.25 179.53 3ek1 h ARG 215 N -0.14 -0.04 -0.18 0.00 2.43 -1.98 0.99 114.38 115.48 3ek1 h ARG 215 Ca 0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3ek1 h ARG 215 Cb 0.20 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3ek1 h ARG 215 CO -0.12 0.10 -0.10 0.93 -1.51 0.00 0.00 179.97 179.27 3ek1 h GLU 216 N -0.17 0.38 -0.26 0.20 3.07 -1.95 0.49 114.58 116.34 3ek1 h GLU 216 Ca -0.00 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.64 3ek1 h GLU 216 Cb 0.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3ek1 h GLU 216 CO 0.01 0.69 0.01 0.82 -1.40 0.00 0.00 179.01 179.13 3ek1 h ILE 217 N 0.06 1.25 -1.01 3.13 2.04 -1.29 -2.28 117.51 119.41 3ek1 h ILE 217 Ca 0.04 -0.90 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3ek1 h ILE 217 Cb 0.58 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.92 3ek1 h ILE 217 CO 0.03 0.28 0.66 1.23 0.00 0.00 0.00 178.15 180.35 3ek1 h GLY 218 N 0.25 1.50 0.96 5.37 0.00 -0.76 -1.08 103.07 109.31 3ek1 h GLY 218 Ca 0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3ek1 h GLY 218 CO 0.01 0.39 0.20 0.00 0.00 0.00 0.00 176.54 177.14 3ek1 h ALA 219 N 1.43 0.59 -0.54 3.60 0.00 -0.75 -1.49 119.26 122.10 3ek1 h ALA 219 Ca 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3ek1 h ALA 219 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ek1 h ALA 219 CO -0.15 0.17 0.22 1.49 0.00 0.00 0.00 179.25 180.99 3ek1 h GLU 220 N 0.59 0.81 -0.30 0.00 4.57 -0.97 -1.68 114.58 117.61 3ek1 h GLU 220 Ca 0.15 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 3ek1 h GLU 220 Cb 0.15 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3ek1 h GLU 220 CO -0.02 0.70 -0.06 -0.07 -1.18 0.00 0.00 179.01 178.38 3ek1 h LEU 221 N 0.74 0.46 0.00 1.64 3.38 -0.98 -0.73 115.31 119.81 3ek1 h LEU 221 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ek1 h LEU 221 Cb 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3ek1 h LEU 221 CO -0.02 0.57 -0.62 0.35 0.09 0.00 0.00 178.44 178.82 3ek1 n THR 222 N -4.25 0.17 0.16 0.22 -2.24 -0.58 -4.04 114.28 103.72 3ek1 n THR 222 Ca 0.01 -0.15 0.09 0.00 -2.27 0.00 0.00 64.05 61.73 3ek1 n THR 222 Cb 0.28 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 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 -1.82 0.90 -4.67 3.42 3.41 -0.64 -4.42 113.62 109.80 3ek1 n SER 223 Ca 0.04 -0.18 -0.43 0.00 -0.26 0.00 0.00 58.87 58.04 3ek1 n SER 223 Cb 0.39 1.65 -0.02 0.00 -0.26 0.00 0.00 64.21 65.97 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 -3.77 6.97 0.53 4.04 3.84 -0.32 -4.91 114.94 121.32 3ek1 s ASN 224 Ca -0.04 1.75 0.24 0.00 0.21 0.00 0.00 52.86 55.03 3ek1 s ASN 224 Cb 0.12 -2.54 1.39 0.00 -0.55 0.00 0.00 41.25 39.66 3ek1 s ASN 224 CO 0.74 -0.71 2.01 0.44 -2.79 0.00 0.00 177.10 176.79 3ek1 h ASP 225 N 8.00 0.00 -0.34 -4.21 5.19 -1.92 -2.38 116.42 120.77 3ek1 h ASP 225 Ca -0.29 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.08 3ek1 h ASP 225 Cb 1.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 3ek1 h ASP 225 CO 0.94 0.00 0.09 0.74 -3.12 0.00 0.00 179.24 177.89 3ek1 h THR 226 N 0.00 1.19 -2.99 0.35 2.02 -1.96 -3.40 112.91 108.11 3ek1 h THR 226 Ca 0.22 -0.70 -0.57 0.00 0.77 0.00 0.00 66.41 66.13 3ek1 h THR 226 Cb 0.91 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3ek1 h THR 226 CO -0.00 0.25 0.86 -0.69 0.37 0.00 0.00 175.52 176.31 3ek1 s VAL 227 N -5.13 4.47 -1.22 3.16 1.01 -0.90 -4.39 120.40 117.41 3ek1 s VAL 227 Ca -0.08 1.78 0.13 0.00 0.00 0.00 0.00 61.98 63.80 3ek1 s VAL 227 Cb 0.16 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3ek1 s VAL 227 CO 0.77 -0.16 0.75 0.54 0.00 0.00 0.00 175.10 177.00 3ek1 n ARG 228 N 6.48 1.85 -3.66 2.72 1.74 0.32 -4.90 116.66 121.20 3ek1 n ARG 228 Ca 0.13 -0.72 -0.12 0.00 -0.77 0.00 0.00 57.85 56.37 3ek1 n ARG 228 Cb 0.45 -1.18 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -1.62 0.68 -0.05 5.56 2.47 -1.24 -2.25 119.74 123.29 3ek1 s LYS 229 Ca 0.11 0.91 0.06 0.00 -1.56 0.00 0.00 55.97 55.50 3ek1 s LYS 229 Cb 0.11 0.27 -0.01 0.00 -1.46 0.00 0.00 37.83 36.73 3ek1 s LYS 229 CO 0.33 -0.10 -0.25 -1.17 0.16 0.00 0.00 175.35 174.31 3ek1 s LEU 230 N 0.68 2.06 -0.11 5.43 2.96 0.17 -1.13 118.68 128.74 3ek1 s LEU 230 Ca -0.03 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 3ek1 s LEU 230 Cb -0.05 -1.34 0.02 0.00 0.50 0.00 0.00 46.19 45.32 3ek1 s LEU 230 CO -0.05 0.26 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.57 3ek1 s SER 231 N -0.27 2.32 -0.03 3.68 0.15 -0.00 -1.23 113.70 118.32 3ek1 s SER 231 Ca -0.00 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.28 3ek1 s SER 231 Cb -0.13 -1.00 0.01 0.00 -1.71 0.00 0.00 66.02 63.20 3ek1 s SER 231 CO 0.02 -0.04 -0.06 0.12 1.20 0.00 0.00 173.24 174.49 3ek1 s PHE 232 N 1.29 0.72 -0.07 3.44 5.36 -0.16 -1.23 117.98 127.33 3ek1 s PHE 232 Ca -0.01 -0.18 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 3ek1 s PHE 232 Cb -0.14 -0.57 0.01 0.00 -0.34 0.00 0.00 43.02 41.98 3ek1 s PHE 232 CO -0.05 -0.12 -0.16 0.99 -1.46 0.00 0.00 175.22 174.42 3ek1 s THR 233 N 0.47 1.40 -4.96 0.12 2.01 -1.07 -1.07 115.64 112.54 3ek1 s THR 233 Ca -0.06 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.30 3ek1 s THR 233 Cb -0.10 -1.25 0.00 0.00 0.01 0.00 0.00 72.50 71.16 3ek1 s THR 233 CO 0.00 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 3ek1 n GLY 234 N 3.72 -0.49 3.77 4.40 0.00 -0.83 -3.51 105.19 112.25 3ek1 n GLY 234 Ca -0.22 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 6.31 0.24 1.61 1.04 -1.26 -4.12 113.70 113.52 3ek1 s SER 235 Ca 0.00 2.53 -0.06 0.00 0.48 0.00 0.00 55.95 58.89 3ek1 s SER 235 Cb 0.00 -2.63 0.29 0.00 0.10 0.00 0.00 66.02 63.78 3ek1 s SER 235 CO 0.00 -0.84 1.87 0.74 0.98 0.00 0.00 173.24 175.99 3ek1 h THR 236 N 2.31 1.10 -0.33 2.02 2.02 -1.92 0.11 112.91 118.22 3ek1 h THR 236 Ca -0.49 -0.36 0.06 0.00 0.77 0.00 0.00 66.41 66.39 3ek1 h THR 236 Cb 1.25 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 3ek1 h THR 236 CO 0.62 0.19 -0.02 -0.33 0.37 0.00 0.00 175.52 176.35 3ek1 h GLU 237 N 1.04 0.07 -0.21 6.66 3.07 -1.98 -0.44 114.58 122.78 3ek1 h GLU 237 Ca 0.36 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.06 3ek1 h GLU 237 Cb 0.07 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3ek1 h GLU 237 CO -0.14 0.05 -0.49 0.28 -1.40 0.00 0.00 179.01 177.31 3ek1 h VAL 238 N 0.07 1.31 -0.78 3.13 2.07 -1.83 -3.02 116.25 117.20 3ek1 h VAL 238 Ca 0.16 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3ek1 h VAL 238 Cb 0.22 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 3ek1 h VAL 238 CO -0.28 0.53 0.33 1.23 0.02 0.00 0.00 177.57 179.40 3ek1 h GLY 239 N 1.05 1.24 0.86 2.17 0.00 -0.37 -1.17 103.07 106.84 3ek1 h GLY 239 Ca 0.02 -0.66 0.04 0.00 0.00 0.00 0.00 47.33 46.74 3ek1 h GLY 239 CO 0.09 0.62 0.64 3.21 0.00 0.00 0.00 176.54 181.10 3ek1 h ARG 240 N 1.13 1.19 -0.09 4.80 3.08 -0.99 -2.07 114.38 121.43 3ek1 h ARG 240 Ca 0.26 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 3ek1 h ARG 240 Cb 0.19 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3ek1 h ARG 240 CO -0.02 0.79 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.26 3ek1 h LEU 241 N 1.23 0.45 -1.07 3.04 3.38 -1.28 -2.36 115.31 118.69 3ek1 h LEU 241 Ca 0.39 -0.62 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3ek1 h LEU 241 Cb 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3ek1 h LEU 241 CO -0.13 1.00 0.63 -0.07 0.09 0.00 0.00 178.44 179.95 3ek1 h LEU 242 N -0.07 1.08 -0.65 1.67 3.38 -1.15 0.11 115.31 119.68 3ek1 h LEU 242 Ca -0.02 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3ek1 h LEU 242 Cb 0.97 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3ek1 h LEU 242 CO 0.07 0.78 0.18 -0.03 0.09 0.00 0.00 178.44 179.52 3ek1 h MET 243 N 1.27 1.03 -0.63 1.13 4.05 -1.36 -0.49 114.93 119.93 3ek1 h MET 243 Ca 0.35 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 3ek1 h MET 243 Cb -0.13 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.50 3ek1 h MET 243 CO -0.08 0.91 0.06 0.00 0.23 0.00 0.00 176.91 178.03 3ek1 h ALA 244 N 1.07 0.91 0.00 0.39 0.00 -0.82 -2.45 119.26 118.36 3ek1 h ALA 244 Ca 0.21 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 244 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ek1 h ALA 244 CO -0.00 0.66 -0.26 1.96 0.00 0.00 0.00 179.25 181.61 3ek1 h GLN 245 N 0.99 0.00 0.00 0.00 4.20 -0.37 -2.72 115.11 117.21 3ek1 h GLN 245 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3ek1 h GLN 245 Cb 0.49 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 3ek1 h GLN 245 CO 0.02 0.26 -0.05 0.00 -0.67 0.00 0.00 178.83 178.39 3ek1 h ALA 247 N 1.95 0.95 -0.05 0.00 0.00 -1.26 -1.99 119.26 118.85 3ek1 h ALA 247 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 247 Cb 0.80 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ek1 h ALA 247 CO 0.01 0.21 0.05 -1.35 0.00 0.00 0.00 179.25 178.17 3ek1 h PRO 248 N 0.86 0.00 -0.29 0.00 0.11 -1.76 -1.27 132.00 129.65 3ek1 h PRO 248 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3ek1 h PRO 248 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3ek1 h PRO 248 CO -0.12 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.92 3ek1 n THR 249 N -4.09 1.65 -3.90 -1.15 -2.24 -1.11 -5.00 114.28 98.44 3ek1 n THR 249 Ca -0.02 -1.45 -0.27 0.00 -2.27 0.00 0.00 64.05 60.04 3ek1 n THR 249 Cb 0.14 0.12 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 -0.05 -2.96 -2.26 2.28 2.08 -0.48 -4.89 119.36 113.08 3ek1 n ILE 250 Ca 0.16 -0.30 -0.35 0.00 0.56 0.00 0.00 62.75 62.82 3ek1 n ILE 250 Cb 0.65 -2.92 0.00 0.00 -0.75 0.00 0.00 39.64 36.62 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 -6.44 3.35 0.33 0.38 1.02 -0.92 -4.98 119.74 112.49 3ek1 s LYS 251 Ca 0.27 1.61 -0.29 0.00 0.02 0.00 0.00 55.97 57.59 3ek1 s LYS 251 Cb -0.14 -2.00 -0.10 0.00 -0.52 0.00 0.00 37.83 35.06 3ek1 s LYS 251 CO 0.85 -0.85 1.35 1.03 -0.92 0.00 0.00 175.35 176.82 3ek1 s ARG 252 N -3.29 4.30 -0.01 1.68 1.81 -0.96 -4.93 118.95 117.56 3ek1 s ARG 252 Ca 0.73 2.29 0.00 0.00 -1.72 0.00 0.00 55.73 57.03 3ek1 s ARG 252 Cb -0.24 -3.05 0.01 0.00 -0.45 0.00 0.00 34.95 31.22 3ek1 s ARG 252 CO 0.27 -0.27 0.00 -1.50 -0.68 0.00 0.00 175.30 173.12 3ek1 s ILE 253 N -1.03 0.06 -0.08 1.52 2.07 -1.26 -0.65 121.20 121.82 3ek1 s ILE 253 Ca 0.51 0.05 0.04 0.00 -1.41 0.00 0.00 60.65 59.83 3ek1 s ILE 253 Cb -0.41 -0.11 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 3ek1 s ILE 253 CO 0.54 0.06 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.97 3ek1 s SER 254 N 0.43 2.82 -0.02 4.50 0.01 -0.37 -4.77 113.70 116.30 3ek1 s SER 254 Ca -0.04 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.76 3ek1 s SER 254 Cb -0.06 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.04 3ek1 s SER 254 CO -0.01 0.16 -0.09 -0.76 0.41 0.00 0.00 173.24 172.95 3ek1 s LEU 255 N 0.24 1.91 -0.12 2.44 1.43 -0.54 -0.99 118.68 123.06 3ek1 s LEU 255 Ca -0.14 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3ek1 s LEU 255 Cb -0.16 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.57 3ek1 s LEU 255 CO 0.06 0.09 -0.05 -0.70 0.23 0.00 0.00 176.35 175.98 3ek1 s GLU 256 N -0.02 1.31 0.00 1.70 2.12 -0.24 -1.04 118.70 122.52 3ek1 s GLU 256 Ca 0.00 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.08 3ek1 s GLU 256 Cb -0.06 -1.59 0.00 0.00 0.26 0.00 0.00 34.13 32.74 3ek1 s GLU 256 CO 0.00 -0.32 0.00 1.28 -0.54 0.00 0.00 175.26 175.68 3ek1 n LEU 257 N 4.97 0.00 -4.73 2.70 4.77 0.68 -1.96 117.00 123.43 3ek1 n LEU 257 Ca -0.11 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.57 3ek1 n LEU 257 Cb 0.49 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.71 3ek1 n LEU 257 CO 0.15 0.00 0.68 -0.83 -1.33 0.00 0.00 177.39 176.06 3ek1 s GLY 258 N 0.00 1.63 0.33 -0.72 0.00 -1.26 -4.84 107.32 102.47 3ek1 s GLY 258 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.79 3ek1 s GLY 258 CO 0.00 0.47 0.24 -0.32 0.00 0.00 0.00 173.10 173.48 3ek1 s GLY 259 N -3.42 2.29 -0.46 0.20 0.00 -1.26 -4.32 107.32 100.35 3ek1 s GLY 259 Ca 0.63 -1.89 0.07 0.00 0.00 0.00 0.00 44.72 43.53 3ek1 s GLY 259 CO 0.57 -1.53 0.90 -2.01 0.00 0.00 0.00 173.10 171.03 3ek1 n ASN 260 N -1.37 -2.17 -4.67 1.64 2.85 -1.26 -4.74 115.26 105.55 3ek1 n ASN 260 Ca 0.05 -3.33 -0.42 0.00 -0.11 0.00 0.00 54.58 50.77 3ek1 n ASN 260 Cb 0.63 1.42 -0.03 0.00 1.24 0.00 0.00 39.78 43.05 3ek1 n ASN 260 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3ek1 s ALA 261 N 0.17 3.63 0.33 5.20 0.00 -1.26 -4.79 121.76 125.03 3ek1 s ALA 261 Ca 0.30 0.96 -0.20 0.00 0.00 0.00 0.00 51.96 53.02 3ek1 s ALA 261 Cb 0.25 -3.71 -0.09 0.00 0.00 0.00 0.00 23.12 19.56 3ek1 s ALA 261 CO -0.17 -1.27 0.83 -1.25 0.00 0.00 0.00 175.76 173.90 3ek1 s PRO 262 N 3.56 4.23 -0.19 0.00 0.04 -1.26 0.20 135.00 141.57 3ek1 s PRO 262 Ca 0.71 0.96 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 3ek1 s PRO 262 Cb -0.34 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.72 3ek1 s PRO 262 CO 0.29 0.19 0.01 0.12 0.04 0.00 0.00 177.00 177.64 3ek1 s PHE 263 N -1.86 1.37 -0.15 0.56 5.36 -0.05 -1.52 117.98 121.68 3ek1 s PHE 263 Ca 0.53 -1.03 -0.02 0.00 -0.96 0.00 0.00 56.93 55.45 3ek1 s PHE 263 Cb -0.13 -1.16 -0.02 0.00 -0.34 0.00 0.00 43.02 41.37 3ek1 s PHE 263 CO 0.18 -0.63 -0.09 0.42 -1.46 0.00 0.00 175.22 173.64 3ek1 s ILE 264 N 1.74 3.30 -0.28 3.12 1.01 0.26 -0.10 121.20 130.25 3ek1 s ILE 264 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3ek1 s ILE 264 Cb -0.17 -2.42 0.05 0.00 0.01 0.00 0.00 42.46 39.93 3ek1 s ILE 264 CO -0.07 0.50 -0.05 -0.69 0.00 0.00 0.00 174.94 174.62 3ek1 s VAL 265 N 0.59 2.65 0.55 2.92 1.01 0.11 -0.53 120.40 127.70 3ek1 s VAL 265 Ca -0.06 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.41 3ek1 s VAL 265 Cb -0.15 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3ek1 s VAL 265 CO 0.03 -0.04 0.87 -0.36 0.00 0.00 0.00 175.10 175.59 3ek1 s PHE 266 N 1.20 3.41 0.47 5.22 0.08 -0.98 -1.01 117.98 126.37 3ek1 s PHE 266 Ca -0.06 0.77 0.21 0.00 0.12 0.00 0.00 56.93 57.97 3ek1 s PHE 266 Cb -0.20 -2.57 1.22 0.00 -0.57 0.00 0.00 43.02 40.91 3ek1 s PHE 266 CO -0.03 -0.60 1.92 -0.44 -0.10 0.00 0.00 175.22 175.97 3ek1 h ASP 267 N -0.03 0.23 -0.52 1.36 3.32 -1.88 -0.66 116.42 118.23 3ek1 h ASP 267 Ca -0.46 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 3ek1 h ASP 267 Cb 1.23 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3ek1 h ASP 267 CO 0.61 0.11 0.04 -0.90 -1.72 0.00 0.00 179.24 177.38 3ek1 n ASP 268 N -4.42 5.01 -4.77 6.45 5.68 -1.26 -4.93 116.55 118.30 3ek1 n ASP 268 Ca 0.15 -2.84 -0.34 0.00 -0.50 0.00 0.00 54.79 51.26 3ek1 n ASP 268 Cb 0.66 -0.67 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3ek1 s ALA 269 N -2.54 2.59 -0.58 2.12 0.00 -0.26 -2.62 121.76 120.47 3ek1 s ALA 269 Ca 0.47 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.89 3ek1 s ALA 269 Cb 0.36 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3ek1 s ALA 269 CO 0.13 -1.00 2.05 0.34 0.00 0.00 0.00 175.76 177.28 3ek1 s ASP 270 N -2.10 4.97 0.21 0.00 -1.08 -1.26 -4.88 116.67 112.52 3ek1 s ASP 270 Ca 0.71 0.55 -0.07 0.00 -0.52 0.00 0.00 52.55 53.22 3ek1 s ASP 270 Cb -0.23 -2.52 0.16 0.00 -1.46 0.00 0.00 42.92 38.87 3ek1 s ASP 270 CO 0.33 -2.58 1.75 0.25 0.52 0.00 0.00 175.17 175.44 3ek1 h LEU 271 N 17.62 1.06 -0.69 -1.34 5.85 -1.94 0.27 115.31 136.15 3ek1 h LEU 271 Ca -0.24 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 3ek1 h LEU 271 Cb 1.19 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3ek1 h LEU 271 CO 1.20 1.00 0.08 0.44 -0.34 0.00 0.00 178.44 180.81 3ek1 h ASP 272 N 1.08 1.06 -0.09 1.25 3.32 -2.00 -1.34 116.42 119.70 3ek1 h ASP 272 Ca 0.23 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3ek1 h ASP 272 Cb 0.32 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3ek1 h ASP 272 CO -0.00 1.06 -0.24 0.00 -1.72 0.00 0.00 179.24 178.33 3ek1 h ALA 273 N 1.06 1.07 -0.61 3.45 0.00 -1.85 -2.43 119.26 119.95 3ek1 h ALA 273 Ca 0.20 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3ek1 h ALA 273 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ek1 h ALA 273 CO 0.02 0.57 0.14 0.00 0.00 0.00 0.00 179.25 179.98 3ek1 h ALA 274 N 1.28 1.10 -0.53 0.00 0.00 -0.37 -0.30 119.26 120.44 3ek1 h ALA 274 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3ek1 h ALA 274 Cb 0.67 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3ek1 h ALA 274 CO 0.05 0.60 -0.06 0.28 0.00 0.00 0.00 179.25 180.11 3ek1 h VAL 275 N 0.91 1.27 -0.29 0.00 2.07 -1.19 0.14 116.25 119.17 3ek1 h VAL 275 Ca 0.19 -1.20 -0.15 0.00 0.82 0.00 0.00 66.70 66.36 3ek1 h VAL 275 Cb 0.33 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ek1 h VAL 275 CO 0.00 0.42 -0.44 0.44 0.02 0.00 0.00 177.57 178.01 3ek1 h ASP 276 N 0.86 0.79 -0.67 0.57 3.32 -0.91 -0.97 116.42 119.39 3ek1 h ASP 276 Ca 0.14 -0.38 -0.06 0.00 0.02 0.00 0.00 57.03 56.75 3ek1 h ASP 276 Cb 0.62 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3ek1 h ASP 276 CO 0.04 1.12 0.18 1.23 -1.72 0.00 0.00 179.24 180.09 3ek1 h GLY 277 N 0.92 1.15 0.93 2.75 0.00 -0.92 -1.11 103.07 106.78 3ek1 h GLY 277 Ca 0.04 -0.71 0.02 0.00 0.00 0.00 0.00 47.33 46.68 3ek1 h GLY 277 CO 0.09 0.66 0.55 0.00 0.00 0.00 0.00 176.54 177.85 3ek1 h ALA 278 N 1.08 1.10 -0.43 3.60 0.00 -0.38 0.11 119.26 124.34 3ek1 h ALA 278 Ca 0.21 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 278 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ek1 h ALA 278 CO -0.00 0.43 -0.30 0.52 0.00 0.00 0.00 179.25 179.90 3ek1 h MET 279 N 1.10 0.94 -0.15 0.00 2.07 -0.84 0.94 114.93 118.98 3ek1 h MET 279 Ca 0.33 -0.44 -0.04 0.00 -2.07 0.00 0.00 59.70 57.48 3ek1 h MET 279 Cb -0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3ek1 h MET 279 CO -0.09 1.10 -0.06 -0.24 1.07 0.00 0.00 176.91 178.68 3ek1 h VAL 280 N 0.79 1.31 0.00 -2.22 3.04 -1.00 -2.41 116.25 115.76 3ek1 h VAL 280 Ca 0.09 -1.09 -0.01 0.00 -1.01 0.00 0.00 66.70 64.68 3ek1 h VAL 280 Cb 0.87 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 31.86 3ek1 h VAL 280 CO 0.08 0.32 -0.05 0.77 -1.01 0.00 0.00 177.57 177.68 3ek1 h SER 281 N -0.01 0.00 0.09 3.17 4.64 -0.57 -3.24 113.55 117.63 3ek1 h SER 281 Ca 0.04 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.98 3ek1 h SER 281 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.58 3ek1 h SER 281 CO 0.02 0.05 -2.12 1.17 -0.87 0.00 0.00 176.83 175.08 3ek1 n LYS 282 N -3.12 0.73 0.00 4.77 3.00 0.31 -2.01 118.16 121.84 3ek1 n LYS 282 Ca 0.03 0.24 0.06 0.00 -0.00 0.00 0.00 58.31 58.64 3ek1 n LYS 282 Cb 0.50 -1.66 0.03 0.00 0.00 0.00 0.00 35.03 33.91 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 -3.44 0.00 -2.42 5.64 4.01 -0.91 -2.89 117.16 117.15 3ek1 n TYR 283 Ca -0.36 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 56.99 3ek1 n TYR 283 Cb 1.03 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.02 3ek1 n TYR 283 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ek1 s ARG 284 N -1.25 4.38 -1.46 -0.72 6.06 -1.22 -2.26 118.95 122.47 3ek1 s ARG 284 Ca 0.13 1.78 -0.00 0.00 -2.50 0.00 0.00 55.73 55.14 3ek1 s ARG 284 Cb 0.10 -2.92 0.00 0.00 0.06 0.00 0.00 34.95 32.20 3ek1 s ARG 284 CO 0.22 -0.02 0.02 -1.71 -2.50 0.00 0.00 175.30 171.30 3ek1 n ASN 285 N 0.62 -5.03 -3.50 -2.12 5.15 -1.26 -1.20 115.26 107.93 3ek1 n ASN 285 Ca 0.02 0.07 -0.26 0.00 -0.60 0.00 0.00 54.58 53.81 3ek1 n ASN 285 Cb 0.46 -4.21 0.02 0.00 -0.53 0.00 0.00 39.78 35.51 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 -2.15 -1.13 -1.13 5.20 0.00 -0.96 -1.35 120.51 118.99 3ek1 n ALA 286 Ca -0.20 0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.37 3ek1 n ALA 286 Cb 0.65 -3.72 -0.02 0.00 0.00 0.00 0.00 19.45 16.36 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 -1.46 0.66 2.56 0.00 0.00 -0.34 -2.36 105.19 104.26 3ek1 n GLY 287 Ca -0.01 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.82 4.91 -3.60 1.61 6.02 -0.46 -2.44 117.38 121.60 3ek1 n GLN 288 Ca -0.05 -3.99 -0.16 0.00 -0.01 0.00 0.00 57.00 52.79 3ek1 n GLN 288 Cb 0.28 -2.54 -0.07 0.00 1.02 0.00 0.00 30.24 28.93 3ek1 n GLN 288 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ek1 s THR 289 N -2.73 0.02 0.29 5.09 -4.23 -1.26 -4.87 115.64 107.94 3ek1 s THR 289 Ca 0.47 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.89 3ek1 s THR 289 Cb 0.20 -0.88 0.28 0.00 1.34 0.00 0.00 72.50 73.43 3ek1 s THR 289 CO -0.12 -0.07 1.75 0.00 -0.54 0.00 0.00 174.62 175.64 3ek1 n VAL 291 N -4.88 0.00 -1.77 0.00 0.24 -1.26 -4.19 118.33 106.48 3ek1 n VAL 291 Ca 0.21 -0.12 -0.40 0.00 -2.04 0.00 0.00 64.34 61.99 3ek1 n VAL 291 Cb 0.56 0.29 0.01 0.00 -1.47 0.00 0.00 33.84 33.23 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 -0.00 0.43 -0.05 0.00 0.00 -0.85 -4.23 120.51 115.81 3ek1 n ALA 293 Ca 0.04 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 3ek1 n ALA 293 Cb 0.40 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.33 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 6.19 0.64 -3.73 0.00 5.15 0.13 -4.75 115.26 118.89 3ek1 n ASN 294 Ca 0.25 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.98 3ek1 n ASN 294 Cb 0.22 1.32 -0.17 0.00 -0.53 0.00 0.00 39.78 40.62 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 -2.79 0.48 -0.39 1.20 0.52 -0.78 -4.59 118.95 112.59 3ek1 s ARG 295 Ca -0.08 -0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 54.98 3ek1 s ARG 295 Cb 0.08 -1.35 0.04 0.00 0.52 0.00 0.00 34.95 34.24 3ek1 s ARG 295 CO 0.75 -0.45 0.23 0.42 0.02 0.00 0.00 175.30 176.27 3ek1 s ILE 296 N 1.98 4.60 -0.27 1.52 1.01 -0.44 -0.87 121.20 128.73 3ek1 s ILE 296 Ca 0.03 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 3ek1 s ILE 296 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 3ek1 s ILE 296 CO -0.06 -0.30 0.18 -0.31 0.00 0.00 0.00 174.94 174.44 3ek1 s TYR 297 N 1.55 3.25 -0.09 3.97 2.02 0.86 0.24 117.35 129.14 3ek1 s TYR 297 Ca 0.02 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.88 3ek1 s TYR 297 Cb -0.20 -2.34 0.02 0.00 -0.40 0.00 0.00 41.96 39.04 3ek1 s TYR 297 CO 0.06 -0.09 -0.09 0.08 -1.57 0.00 0.00 175.55 173.94 3ek1 s VAL 298 N 1.52 1.05 0.47 0.71 1.01 0.39 0.05 120.40 125.59 3ek1 s VAL 298 Ca 0.07 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.47 3ek1 s VAL 298 Cb -0.15 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.13 3ek1 s VAL 298 CO 0.09 0.36 1.21 -1.58 0.00 0.00 0.00 175.10 175.18 3ek1 s GLN 299 N 1.29 3.65 0.15 2.72 0.74 -0.18 -2.59 119.66 125.43 3ek1 s GLN 299 Ca -0.03 1.89 -0.20 0.00 0.05 0.00 0.00 55.36 57.08 3ek1 s GLN 299 Cb -0.14 -2.40 0.03 0.00 1.10 0.00 0.00 33.01 31.60 3ek1 s GLN 299 CO -0.04 -0.68 1.68 -0.09 -0.55 0.00 0.00 175.29 175.62 3ek1 h ARG 300 N 1.98 -0.06 -1.17 1.67 2.43 -1.37 -1.01 114.38 116.84 3ek1 h ARG 300 Ca -0.50 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.01 3ek1 h ARG 300 Cb 1.26 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.74 3ek1 h ARG 300 CO 0.60 -0.04 0.80 0.78 -1.51 0.00 0.00 179.97 180.59 3ek1 h GLY 301 N -0.06 0.68 -0.57 2.80 0.00 -1.91 -1.46 103.07 102.54 3ek1 h GLY 301 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3ek1 h GLY 301 CO -0.31 -0.11 0.00 3.33 0.00 0.00 0.00 176.54 179.45 3ek1 n VAL 302 N -4.42 0.91 0.04 4.60 0.24 -0.48 -4.80 118.33 114.42 3ek1 n VAL 302 Ca 0.28 -0.96 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 3ek1 n VAL 302 Cb 1.14 0.55 -0.05 0.00 -1.47 0.00 0.00 33.84 34.02 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 0.94 -0.23 -0.31 6.34 3.20 -0.26 -1.44 116.97 125.21 3ek1 h TYR 303 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3ek1 h TYR 303 Cb 0.57 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3ek1 h TYR 303 CO 0.10 -0.14 0.11 -0.44 -1.64 0.00 0.00 178.16 176.14 3ek1 h ASP 304 N -0.15 0.45 -0.61 -2.11 3.32 -1.87 -0.62 116.42 114.83 3ek1 h ASP 304 Ca 0.04 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3ek1 h ASP 304 Cb 0.21 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3ek1 h ASP 304 CO -0.11 0.52 0.30 0.50 -1.72 0.00 0.00 179.24 178.73 3ek1 h LYS 305 N 0.35 0.88 -0.13 3.56 3.64 -1.89 -1.65 116.57 121.33 3ek1 h LYS 305 Ca 0.10 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ek1 h LYS 305 Cb 0.22 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3ek1 h LYS 305 CO -0.01 0.70 0.07 0.35 -2.27 0.00 0.00 179.45 178.30 3ek1 h PHE 306 N 0.84 0.18 -0.51 1.91 3.57 -0.93 -1.20 116.94 120.79 3ek1 h PHE 306 Ca 0.21 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.78 3ek1 h PHE 306 Cb 0.11 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3ek1 h PHE 306 CO -0.00 0.19 0.16 0.00 -2.23 0.00 0.00 178.31 176.43 3ek1 h ALA 307 N 0.97 0.62 -0.59 2.41 0.00 -0.58 -0.08 119.26 122.01 3ek1 h ALA 307 Ca 0.04 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3ek1 h ALA 307 Cb 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3ek1 h ALA 307 CO -0.01 -0.24 0.37 0.93 0.00 0.00 0.00 179.25 180.31 3ek1 h GLU 308 N 0.33 0.72 -0.38 0.00 5.08 -1.09 0.16 114.58 119.40 3ek1 h GLU 308 Ca 0.25 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.46 3ek1 h GLU 308 Cb 0.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3ek1 h GLU 308 CO -0.27 0.48 -0.18 0.87 -1.00 0.00 0.00 179.01 178.90 3ek1 h LYS 309 N 0.74 0.79 -0.67 2.33 1.57 -0.57 -2.53 116.57 118.23 3ek1 h LYS 309 Ca 0.23 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 3ek1 h LYS 309 Cb -0.03 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 3ek1 h LYS 309 CO -0.08 0.97 0.26 1.25 -0.57 0.00 0.00 179.45 181.28 3ek1 h LEU 310 N 0.58 0.93 -0.59 2.94 5.85 -0.55 -2.96 115.31 121.52 3ek1 h LEU 310 Ca 0.08 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3ek1 h LEU 310 Cb 0.73 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3ek1 h LEU 310 CO 0.05 0.86 0.29 0.00 -0.34 0.00 0.00 178.44 179.30 3ek1 h ALA 311 N 1.11 0.77 -0.81 1.25 0.00 -0.45 0.27 119.26 121.41 3ek1 h ALA 311 Ca 0.22 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ek1 h ALA 311 Cb 0.22 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3ek1 h ALA 311 CO -0.02 -0.07 0.46 0.00 0.00 0.00 0.00 179.25 179.62 3ek1 h ALA 312 N 1.34 1.28 0.01 0.00 0.00 -1.39 -0.94 119.26 119.56 3ek1 h ALA 312 Ca 0.27 -0.11 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 312 Cb 0.23 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.70 3ek1 h ALA 312 CO -0.21 0.59 -0.98 0.87 0.00 0.00 0.00 179.25 179.53 3ek1 h LYS 313 N 1.12 0.47 -0.53 0.00 1.79 -1.17 -3.22 116.57 115.03 3ek1 h LYS 313 Ca 0.29 -0.52 -0.10 0.00 -2.18 0.00 0.00 60.65 58.15 3ek1 h LYS 313 Cb 0.00 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3ek1 h LYS 313 CO -0.05 1.16 -0.05 0.28 -1.08 0.00 0.00 179.45 179.71 3ek1 h VAL 314 N 0.26 1.26 0.00 0.50 2.07 0.36 -2.32 116.25 118.38 3ek1 h VAL 314 Ca -0.09 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 3ek1 h VAL 314 Cb 1.62 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3ek1 h VAL 314 CO 0.17 0.41 -0.06 0.11 0.02 0.00 0.00 177.57 178.23 3ek1 h LYS 315 N 0.86 0.00 0.00 1.57 1.57 -1.28 -1.20 116.57 118.09 3ek1 h LYS 315 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ek1 h LYS 315 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3ek1 h LYS 315 CO 0.03 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.36 3ek1 n GLU 316 N -3.41 0.02 -2.28 3.15 -0.58 -0.87 -4.86 120.64 111.80 3ek1 n GLU 316 Ca -0.02 0.07 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 3ek1 n GLU 316 Cb 0.19 -1.52 -0.03 0.00 -0.57 0.00 0.00 31.44 29.52 3ek1 n GLU 316 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3ek1 s LEU 317 N -3.09 4.30 -0.21 -4.62 1.43 -0.46 -4.96 118.68 111.07 3ek1 s LEU 317 Ca 0.12 2.03 -0.19 0.00 -1.03 0.00 0.00 54.13 55.05 3ek1 s LEU 317 Cb 0.16 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 3ek1 s LEU 317 CO 0.47 -0.70 0.57 -0.75 0.23 0.00 0.00 176.35 176.17 3ek1 s LYS 318 N 2.51 4.18 -0.12 1.70 2.20 -1.26 -4.95 119.74 123.99 3ek1 s LYS 318 Ca 0.62 0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 56.64 3ek1 s LYS 318 Cb -0.29 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 3ek1 s LYS 318 CO 0.25 -0.23 0.17 0.08 -0.36 0.00 0.00 175.35 175.27 3ek1 s VAL 319 N 1.88 5.44 -2.32 4.02 1.01 -1.26 -1.08 120.40 128.09 3ek1 s VAL 319 Ca 0.26 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.53 3ek1 s VAL 319 Cb -0.16 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3ek1 s VAL 319 CO 0.10 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.40 3ek1 n GLY 320 N 2.16 -1.45 3.74 4.51 0.00 -0.63 -4.98 105.19 108.53 3ek1 n GLY 320 Ca -0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 3ek1 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ek1 s ASN 321 N -3.10 6.44 0.37 1.61 3.84 -1.26 -4.19 114.94 118.65 3ek1 s ASN 321 Ca 0.00 2.87 0.28 0.00 0.21 0.00 0.00 52.86 56.22 3ek1 s ASN 321 Cb 0.00 -2.63 1.14 0.00 -0.55 0.00 0.00 41.25 39.21 3ek1 s ASN 321 CO 0.00 -0.87 1.82 1.23 -2.79 0.00 0.00 177.10 176.49 3ek1 h GLY 322 N 5.16 0.00 0.87 1.21 0.00 -1.85 -2.12 103.07 106.34 3ek1 h GLY 322 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ek1 h GLY 322 CO 0.81 0.00 -0.00 -1.30 0.00 0.00 0.00 176.54 176.05 3ek1 n THR 323 N -2.57 0.00 -3.91 4.70 -2.24 -1.26 -1.95 114.28 107.04 3ek1 n THR 323 Ca 0.02 -0.03 -0.35 0.00 -2.27 0.00 0.00 64.05 61.42 3ek1 n THR 323 Cb 0.26 -0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.01 3ek1 n THR 323 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ek1 s GLU 324 N -2.04 4.02 0.22 -0.78 2.56 -0.80 -5.00 118.70 116.87 3ek1 s GLU 324 Ca 0.45 -0.32 -0.30 0.00 0.00 0.00 0.00 54.97 54.81 3ek1 s GLU 324 Cb 0.22 -3.29 -0.15 0.00 2.00 0.00 0.00 34.13 32.91 3ek1 s GLU 324 CO 0.37 0.25 0.99 -2.30 -0.56 0.00 0.00 175.26 174.01 3ek1 n PRO 325 N 3.64 1.01 0.00 4.30 -0.02 -1.26 -1.77 135.00 140.90 3ek1 n PRO 325 Ca -0.16 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3ek1 n PRO 325 Cb 0.52 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3ek1 n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ek1 n GLY 326 N 1.67 2.93 3.69 -1.23 0.00 -1.26 -5.01 105.19 106.00 3ek1 n GLY 326 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3ek1 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 327 N -1.82 3.33 -0.10 1.61 1.01 -0.73 -4.55 120.40 119.16 3ek1 s VAL 327 Ca 0.00 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.80 3ek1 s VAL 327 Cb 0.00 -3.52 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3ek1 s VAL 327 CO 0.00 0.01 0.29 1.33 0.00 0.00 0.00 175.10 176.73 3ek1 n VAL 328 N 4.53 0.00 -3.77 2.92 0.24 -0.24 -4.80 118.33 117.21 3ek1 n VAL 328 Ca 0.14 -0.49 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 3ek1 n VAL 328 Cb 0.42 1.01 -0.17 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.59 0.48 0.00 1.34 -1.09 -0.89 -4.79 121.20 115.65 3ek1 s ILE 329 Ca 0.01 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 3ek1 s ILE 329 Cb 0.01 -0.71 0.00 0.00 -1.58 0.00 0.00 42.46 40.17 3ek1 s ILE 329 CO 0.03 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.49 3ek1 n GLY 330 N 5.10 0.88 3.79 6.18 0.00 -1.26 -1.61 105.19 118.27 3ek1 n GLY 330 Ca -0.08 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3ek1 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek1 s PRO 331 N -0.26 3.54 0.77 1.61 0.04 -1.26 -4.71 135.00 134.73 3ek1 s PRO 331 Ca 0.00 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.37 3ek1 s PRO 331 Cb 0.00 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.54 3ek1 s PRO 331 CO 0.00 -0.66 1.08 -1.64 0.04 0.00 0.00 177.00 175.82 3ek1 s MET 332 N -3.38 2.34 0.30 4.56 -1.94 -0.38 -4.78 119.30 116.01 3ek1 s MET 332 Ca 0.69 0.86 0.06 0.00 -1.71 0.00 0.00 55.69 55.59 3ek1 s MET 332 Cb -0.19 -1.93 0.46 0.00 2.01 0.00 0.00 34.83 35.18 3ek1 s MET 332 CO 0.25 -1.50 1.71 0.97 -0.01 0.00 0.00 175.02 176.44 3ek1 h ILE 333 N -1.01 1.30 -2.81 2.53 6.09 -1.87 -3.46 117.51 118.27 3ek1 h ILE 333 Ca -0.46 -1.48 0.09 0.00 -1.37 0.00 0.00 64.86 61.65 3ek1 h ILE 333 Cb 1.24 1.65 -0.05 0.00 0.47 0.00 0.00 36.82 40.13 3ek1 h ILE 333 CO 0.57 0.44 0.31 -1.83 -3.07 0.00 0.00 178.15 174.57 3ek1 s GLU 334 N -4.19 1.67 0.13 2.19 -1.05 -1.26 -4.93 118.70 111.26 3ek1 s GLU 334 Ca -0.05 -0.95 -0.11 0.00 -0.15 0.00 0.00 54.97 53.71 3ek1 s GLU 334 Cb 0.13 0.55 -0.06 0.00 -0.44 0.00 0.00 34.13 34.31 3ek1 s GLU 334 CO 0.77 -0.77 1.44 1.49 0.95 0.00 0.00 175.26 179.14 3ek1 h GLU 335 N 2.00 0.90 -0.84 -4.83 4.81 -1.97 -2.84 114.58 111.82 3ek1 h GLU 335 Ca -0.22 -0.53 0.15 0.00 -0.13 0.00 0.00 59.36 58.63 3ek1 h GLU 335 Cb 1.24 0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.61 3ek1 h GLU 335 CO 0.26 1.18 0.55 0.87 -0.73 0.00 0.00 179.01 181.13 3ek1 h LYS 336 N 0.71 0.52 -0.56 1.92 1.57 -1.99 -1.01 116.57 117.73 3ek1 h LYS 336 Ca 0.03 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 3ek1 h LYS 336 Cb 1.08 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3ek1 h LYS 336 CO 0.11 0.35 -0.04 0.00 -0.57 0.00 0.00 179.45 179.30 3ek1 h ALA 337 N 1.62 0.76 -0.43 3.86 0.00 -1.92 -2.09 119.26 121.06 3ek1 h ALA 337 Ca 0.42 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 337 Cb 0.83 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3ek1 h ALA 337 CO -0.17 0.62 0.12 0.82 0.00 0.00 0.00 179.25 180.64 3ek1 h ILE 338 N 0.90 1.23 -0.91 0.00 2.04 -1.19 -2.53 117.51 117.04 3ek1 h ILE 338 Ca 0.15 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.31 3ek1 h ILE 338 Cb 0.59 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 3ek1 h ILE 338 CO 0.04 0.27 0.59 0.74 0.00 0.00 0.00 178.15 179.79 3ek1 h THR 339 N 0.55 1.08 -0.54 -0.27 2.02 -1.22 0.14 112.91 114.67 3ek1 h THR 339 Ca 0.14 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.97 3ek1 h THR 339 Cb 0.29 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3ek1 h THR 339 CO -0.00 0.19 0.34 0.50 0.37 0.00 0.00 175.52 176.92 3ek1 h LYS 340 N 1.05 0.67 -0.73 6.66 3.64 -1.00 0.36 116.57 127.22 3ek1 h LYS 340 Ca 0.39 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.69 3ek1 h LYS 340 Cb 0.17 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3ek1 h LYS 340 CO -0.14 0.44 0.33 0.28 -2.27 0.00 0.00 179.45 178.09 3ek1 h VAL 341 N 0.69 1.24 -0.72 2.00 2.07 -0.81 -0.64 116.25 120.08 3ek1 h VAL 341 Ca 0.21 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 3ek1 h VAL 341 Cb -0.03 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 3ek1 h VAL 341 CO -0.07 0.29 0.28 0.11 0.02 0.00 0.00 177.57 178.20 3ek1 h LYS 342 N 1.03 1.07 -0.62 1.57 1.57 -0.12 -1.34 116.57 119.72 3ek1 h LYS 342 Ca 0.25 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3ek1 h LYS 342 Cb 0.15 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3ek1 h LYS 342 CO -0.03 0.87 0.37 0.00 -0.57 0.00 0.00 179.45 180.09 3ek1 h ALA 343 N 1.26 0.79 -0.53 3.86 0.00 0.65 -0.51 119.26 124.79 3ek1 h ALA 343 Ca 0.24 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 343 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3ek1 h ALA 343 CO -0.02 0.28 -0.03 0.45 0.00 0.00 0.00 179.25 179.93 3ek1 h HIS 344 N 0.84 1.01 0.21 0.00 3.86 -0.57 -1.03 115.15 119.47 3ek1 h HIS 344 Ca 0.22 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 3ek1 h HIS 344 Cb -0.00 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3ek1 h HIS 344 CO -0.02 0.92 -0.10 0.82 0.86 0.00 0.00 177.93 180.42 3ek1 h ILE 345 N 0.85 0.87 -0.56 2.45 2.04 -0.88 -2.02 117.51 120.25 3ek1 h ILE 345 Ca 0.15 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.51 3ek1 h ILE 345 Cb 0.55 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3ek1 h ILE 345 CO 0.03 0.10 0.04 -0.33 0.00 0.00 0.00 178.15 177.98 3ek1 h GLU 346 N -0.49 0.96 -0.27 2.37 4.39 -1.03 -0.43 114.58 120.08 3ek1 h GLU 346 Ca -0.03 -0.29 0.04 0.00 0.34 0.00 0.00 59.36 59.43 3ek1 h GLU 346 Cb 0.37 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 3ek1 h GLU 346 CO 0.05 0.95 0.02 0.22 -1.16 0.00 0.00 179.01 179.08 3ek1 h ASP 347 N 0.85 -0.07 0.03 1.42 3.58 -1.22 0.18 116.42 121.19 3ek1 h ASP 347 Ca 0.16 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.67 3ek1 h ASP 347 Cb 0.49 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3ek1 h ASP 347 CO 0.02 -0.00 -0.01 0.00 -2.88 0.00 0.00 179.24 176.37 3ek1 h ALA 348 N 1.23 -0.04 -0.72 -0.78 0.00 -1.03 -2.15 119.26 115.77 3ek1 h ALA 348 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 348 Cb 0.16 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 348 CO -0.20 -0.44 0.30 0.28 0.00 0.00 0.00 179.25 179.19 3ek1 h VAL 349 N -0.21 1.25 0.00 0.00 2.07 -0.93 0.17 116.25 118.59 3ek1 h VAL 349 Ca -0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3ek1 h VAL 349 Cb 0.20 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3ek1 h VAL 349 CO 0.01 0.31 0.00 0.77 0.02 0.00 0.00 177.57 178.67 3ek1 h SER 350 N 1.02 0.00 -0.37 0.57 4.64 -0.45 -0.62 113.55 118.34 3ek1 h SER 350 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3ek1 h SER 350 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3ek1 h SER 350 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 3ek1 n LYS 351 N -2.90 2.34 0.00 4.77 5.02 -0.04 -4.95 118.16 122.40 3ek1 n LYS 351 Ca -0.03 -2.07 0.00 0.00 -2.02 0.00 0.00 58.31 54.19 3ek1 n LYS 351 Cb 0.07 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3ek1 n LYS 351 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ek1 n GLY 352 N 1.01 1.35 3.76 0.72 0.00 -0.24 -5.03 105.19 106.76 3ek1 n GLY 352 Ca 0.15 0.00 -0.30 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 -1.88 2.03 -0.10 4.61 0.00 -0.67 -4.88 121.76 120.86 3ek1 s ALA 353 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.01 3ek1 s ALA 353 Cb 0.00 -3.20 0.01 0.00 0.00 0.00 0.00 23.12 19.93 3ek1 s ALA 353 CO 0.00 -1.93 -0.19 0.15 0.00 0.00 0.00 175.76 173.80 3ek1 s LYS 354 N -4.98 2.52 -0.65 0.00 1.02 -0.03 -4.33 119.74 113.29 3ek1 s LYS 354 Ca 0.62 -0.68 -0.24 0.00 0.02 0.00 0.00 55.97 55.68 3ek1 s LYS 354 Cb -0.17 -2.02 0.05 0.00 -0.52 0.00 0.00 37.83 35.18 3ek1 s LYS 354 CO 0.56 0.04 1.04 -1.17 -0.92 0.00 0.00 175.35 174.90 3ek1 s LEU 355 N 0.69 4.01 0.09 3.17 2.96 -1.26 -0.87 118.68 127.47 3ek1 s LEU 355 Ca -0.12 -0.68 0.24 0.00 -0.22 0.00 0.00 54.13 53.35 3ek1 s LEU 355 Cb -0.16 -2.57 0.37 0.00 0.50 0.00 0.00 46.19 44.33 3ek1 s LEU 355 CO 0.03 -1.48 1.33 2.30 -1.32 0.00 0.00 176.35 177.20 3ek1 n ILE 356 N 6.11 0.27 -3.61 6.68 -5.35 -0.57 -4.90 119.36 117.99 3ek1 n ILE 356 Ca -0.01 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.14 3ek1 n ILE 356 Cb 0.47 -0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.25 3ek1 n ILE 356 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3ek1 s THR 357 N -3.14 0.00 0.00 7.28 -1.32 -1.23 -4.98 115.64 112.25 3ek1 s THR 357 Ca 0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 3ek1 s THR 357 Cb 0.14 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 3ek1 s THR 357 CO 0.72 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.74 3ek1 n GLY 358 N 2.04 2.06 1.77 6.08 0.00 -1.26 -2.42 105.19 113.46 3ek1 n GLY 358 Ca -0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 0.71 3.01 -0.02 0.00 0.23 -4.82 105.19 104.31 3ek1 n GLY 359 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.94 0.38 0.61 1.61 -2.85 -1.25 -4.93 119.74 108.36 3ek1 s LYS 360 Ca 0.05 -0.69 -0.19 0.00 -1.00 0.00 0.00 55.97 54.14 3ek1 s LYS 360 Cb -0.02 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.86 3ek1 s LYS 360 CO 0.06 -0.07 1.32 -1.21 0.10 0.00 0.00 175.35 175.55 3ek1 s GLU 361 N -1.85 2.78 0.00 1.78 2.02 -1.26 -1.29 118.70 120.88 3ek1 s GLU 361 Ca -0.12 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.00 3ek1 s GLU 361 Cb -0.07 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.15 3ek1 s GLU 361 CO -0.02 -1.44 0.81 1.28 0.02 0.00 0.00 175.26 175.91 3ek1 n LEU 362 N -1.56 1.48 0.00 1.80 4.77 -0.69 -4.83 117.00 117.98 3ek1 n LEU 362 Ca 0.14 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.63 3ek1 n LEU 362 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3ek1 n LEU 362 CO 0.49 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3ek1 n GLY 363 N -0.33 2.83 7.00 -0.72 0.00 -1.26 -4.88 105.19 107.84 3ek1 n GLY 363 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3ek1 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 364 N 1.01 3.18 1.03 -0.02 0.00 -1.26 -0.95 105.19 108.18 3ek1 n GLY 364 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.87 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 2.99 -4.77 0.99 4.77 -1.26 -4.93 117.00 114.78 3ek1 n LEU 365 Ca 0.00 -1.50 -0.39 0.00 -0.03 0.00 0.00 56.01 54.09 3ek1 n LEU 365 Cb 0.00 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 3ek1 n LEU 365 CO 0.00 0.60 0.35 -0.36 -1.33 0.00 0.00 177.39 176.66 3ek1 s PHE 366 N -1.57 3.75 -0.01 -1.77 0.08 -0.13 -1.25 117.98 117.08 3ek1 s PHE 366 Ca 0.33 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.72 3ek1 s PHE 366 Cb 0.20 -2.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3ek1 s PHE 366 CO 0.19 0.41 0.00 0.12 -0.10 0.00 0.00 175.22 175.84 3ek1 s PHE 367 N -0.50 0.06 -0.17 0.36 5.36 -1.26 -1.70 117.98 120.13 3ek1 s PHE 367 Ca 0.33 0.02 -0.21 0.00 -0.96 0.00 0.00 56.93 56.11 3ek1 s PHE 367 Cb -0.20 -0.10 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 3ek1 s PHE 367 CO 0.20 -0.03 0.61 -2.00 -1.46 0.00 0.00 175.22 172.54 3ek1 s GLU 368 N 0.28 4.25 0.18 10.12 2.12 -0.42 -4.96 118.70 130.28 3ek1 s GLU 368 Ca -0.02 0.61 -0.32 0.00 0.36 0.00 0.00 54.97 55.59 3ek1 s GLU 368 Cb -0.04 -3.54 -0.16 0.00 0.26 0.00 0.00 34.13 30.65 3ek1 s GLU 368 CO -0.01 -0.15 1.10 -2.30 -0.54 0.00 0.00 175.26 173.36 3ek1 n PRO 369 N 4.72 1.05 -4.26 4.30 -0.02 -1.26 -0.60 135.00 138.93 3ek1 n PRO 369 Ca -0.02 0.37 -0.15 0.00 -2.02 0.00 0.00 63.50 61.69 3ek1 n PRO 369 Cb 0.50 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 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 -0.13 1.64 -0.05 -1.23 0.00 -0.27 -3.48 107.32 103.80 3ek1 s GLY 370 Ca 0.72 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.63 3ek1 s GLY 370 CO 0.54 -1.50 0.11 -0.42 0.00 0.00 0.00 173.10 171.83 3ek1 s ILE 371 N -3.92 -0.04 -0.09 0.90 1.01 -1.02 -1.24 121.20 116.80 3ek1 s ILE 371 Ca 0.38 0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 3ek1 s ILE 371 Cb 0.07 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 3ek1 s ILE 371 CO 0.14 0.06 -0.01 -0.76 0.00 0.00 0.00 174.94 174.36 3ek1 s LEU 372 N 0.84 3.52 0.39 2.97 1.43 -0.25 -1.51 118.68 126.08 3ek1 s LEU 372 Ca -0.07 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 3ek1 s LEU 372 Cb -0.09 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3ek1 s LEU 372 CO -0.04 0.37 0.19 0.42 0.23 0.00 0.00 176.35 177.53 3ek1 s THR 373 N -0.84 2.54 -1.18 5.49 -4.23 -0.05 -1.04 115.64 116.33 3ek1 s THR 373 Ca 0.13 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3ek1 s THR 373 Cb -0.11 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.74 3ek1 s THR 373 CO 0.02 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3ek1 n GLY 374 N -1.25 1.23 3.75 3.99 0.00 -1.23 -0.85 105.19 110.84 3ek1 n GLY 374 Ca -0.01 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.40 3.61 0.37 1.61 1.01 -1.10 -4.14 120.40 119.36 3ek1 s VAL 375 Ca 0.00 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.55 3ek1 s VAL 375 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3ek1 s VAL 375 CO 0.00 0.32 0.16 0.42 0.00 0.00 0.00 175.10 176.00 3ek1 s THR 376 N -0.78 0.45 -1.18 3.92 -4.23 -1.26 -4.13 115.64 108.42 3ek1 s THR 376 Ca 0.47 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.19 3ek1 s THR 376 Cb -0.31 -2.41 0.27 0.00 1.34 0.00 0.00 72.50 71.38 3ek1 s THR 376 CO 0.39 0.00 1.70 -1.54 -0.54 0.00 0.00 174.62 174.63 3ek1 n SER 377 N -1.27 0.00 -0.59 3.99 3.41 -1.26 -1.90 113.62 116.00 3ek1 n SER 377 Ca -0.02 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3ek1 n SER 377 Cb 0.64 -0.41 0.40 0.00 -0.26 0.00 0.00 64.21 64.59 3ek1 n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ek1 n ASP 378 N -1.41 1.78 -4.90 4.04 5.75 -1.26 -4.82 116.55 115.74 3ek1 n ASP 378 Ca 0.07 -1.68 -0.31 0.00 -0.01 0.00 0.00 54.79 52.87 3ek1 n ASP 378 Cb 0.22 -0.08 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.84 3.65 0.30 0.11 -1.94 -0.80 -4.97 119.30 113.81 3ek1 s MET 379 Ca 0.34 -0.02 0.05 0.00 -1.71 0.00 0.00 55.69 54.35 3ek1 s MET 379 Cb 0.19 -2.77 0.68 0.00 2.01 0.00 0.00 34.83 34.94 3ek1 s MET 379 CO 0.29 0.38 1.81 1.25 -0.01 0.00 0.00 175.02 178.74 3ek1 h LEU 380 N 2.47 0.83 -1.64 -0.03 5.85 -1.90 -0.70 115.31 120.19 3ek1 h LEU 380 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3ek1 h LEU 380 Cb 1.17 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ek1 h LEU 380 CO 0.70 0.37 0.00 1.62 -0.34 0.00 0.00 178.44 180.79 3ek1 h VAL 381 N 0.85 0.00 -0.04 1.05 3.04 -1.88 0.18 116.25 119.45 3ek1 h VAL 381 Ca 0.53 -0.38 -0.03 0.00 -1.01 0.00 0.00 66.70 65.81 3ek1 h VAL 381 Cb 0.72 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 3ek1 h VAL 381 CO -0.31 0.00 -0.12 0.00 -1.01 0.00 0.00 177.57 176.13 3ek1 h ALA 382 N 2.03 1.72 0.00 3.17 0.00 -1.38 -3.33 119.26 121.47 3ek1 h ALA 382 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 382 Cb 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ek1 h ALA 382 CO 0.00 0.21 -0.53 1.63 0.00 0.00 0.00 179.25 180.56 3ek1 n LYS 383 N -4.36 3.48 -4.48 0.00 4.76 -0.71 -5.02 118.16 111.83 3ek1 n LYS 383 Ca -0.02 -0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.12 3ek1 n LYS 383 Cb 0.21 -0.78 -0.12 0.00 -1.84 0.00 0.00 35.03 32.50 3ek1 n LYS 383 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ek1 s GLU 384 N -1.57 1.85 -0.05 1.97 2.02 -0.03 -5.05 118.70 117.84 3ek1 s GLU 384 Ca 0.00 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.57 3ek1 s GLU 384 Cb 0.01 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 3ek1 s GLU 384 CO 0.05 0.50 1.11 -1.21 0.02 0.00 0.00 175.26 175.72 3ek1 s GLU 385 N -1.82 4.42 0.18 1.61 2.02 -1.26 -4.54 118.70 119.31 3ek1 s GLU 385 Ca 0.16 1.56 -0.05 0.00 0.02 0.00 0.00 54.97 56.66 3ek1 s GLU 385 Cb -0.10 -3.51 0.08 0.00 0.10 0.00 0.00 34.13 30.70 3ek1 s GLU 385 CO 0.07 -0.32 1.51 1.15 0.02 0.00 0.00 175.26 177.69 3ek1 h THR 386 N 4.94 1.30 -6.65 3.63 2.02 -1.91 -3.48 112.91 112.76 3ek1 h THR 386 Ca -0.35 -1.69 -0.53 0.00 0.77 0.00 0.00 66.41 64.60 3ek1 h THR 386 Cb 1.17 1.63 -0.16 0.00 -1.74 0.00 0.00 68.15 69.06 3ek1 h THR 386 CO 0.84 0.54 -0.83 0.49 0.37 0.00 0.00 175.52 176.93 3ek1 n PHE 387 N -4.00 -1.80 -3.84 3.16 3.01 -1.26 -4.56 117.46 108.17 3ek1 n PHE 387 Ca -0.03 0.80 -0.06 0.00 1.01 0.00 0.00 57.45 59.18 3ek1 n PHE 387 Cb 0.58 -3.23 0.02 0.00 -0.01 0.00 0.00 39.48 36.83 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3ek1 s GLY 388 N -3.50 0.21 -1.31 1.37 0.00 -1.02 -4.25 107.32 98.82 3ek1 s GLY 388 Ca 0.59 -0.51 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 3ek1 s GLY 388 CO 0.91 1.04 1.97 -1.55 0.00 0.00 0.00 173.10 175.48 3ek1 n PRO 389 N -0.61 3.58 -4.05 2.90 -0.04 -1.00 -4.47 135.00 131.31 3ek1 n PRO 389 Ca -0.06 -3.38 -0.23 0.00 -0.04 0.00 0.00 63.50 59.79 3ek1 n PRO 389 Cb 0.60 -2.95 -0.17 0.00 -0.04 0.00 0.00 33.50 30.94 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N 0.04 1.14 -0.48 1.53 2.96 -1.26 -1.12 118.68 121.50 3ek1 s LEU 390 Ca 0.42 -0.19 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 3ek1 s LEU 390 Cb 0.11 -0.62 0.07 0.00 0.50 0.00 0.00 46.19 46.25 3ek1 s LEU 390 CO -0.02 -0.10 0.41 0.00 -1.32 0.00 0.00 176.35 175.33 3ek1 s ALA 391 N 1.38 3.56 -0.32 5.97 0.00 -0.38 -4.98 121.76 127.00 3ek1 s ALA 391 Ca -0.03 -2.11 -0.19 0.00 0.00 0.00 0.00 51.96 49.64 3ek1 s ALA 391 Cb -0.13 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3ek1 s ALA 391 CO -0.03 -1.75 0.57 -1.25 0.00 0.00 0.00 175.76 173.30 3ek1 s PRO 392 N 1.68 3.81 -0.38 0.00 0.05 -1.26 -1.09 135.00 137.81 3ek1 s PRO 392 Ca 0.05 0.12 -0.13 0.00 0.05 0.00 0.00 61.00 61.08 3ek1 s PRO 392 Cb -0.24 -3.75 0.01 0.00 0.05 0.00 0.00 34.50 30.57 3ek1 s PRO 392 CO 0.07 -0.58 0.26 -0.51 0.05 0.00 0.00 177.00 176.29 3ek1 s LEU 393 N 2.50 4.86 -0.16 -3.56 1.43 -0.21 -1.33 118.68 122.21 3ek1 s LEU 393 Ca 0.22 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 3ek1 s LEU 393 Cb -0.15 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3ek1 s LEU 393 CO 0.12 -0.38 0.27 -0.36 0.23 0.00 0.00 176.35 176.23 3ek1 s PHE 394 N 1.65 3.47 0.27 0.29 0.08 0.14 -2.73 117.98 121.15 3ek1 s PHE 394 Ca 0.04 0.57 -0.20 0.00 0.12 0.00 0.00 56.93 57.46 3ek1 s PHE 394 Cb -0.19 -2.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.88 3ek1 s PHE 394 CO 0.09 0.28 0.78 0.00 -0.10 0.00 0.00 175.22 176.27 3ek1 s ALA 395 N 0.34 3.33 0.09 5.36 0.00 -1.26 -0.46 121.76 129.15 3ek1 s ALA 395 Ca 0.15 0.23 -0.07 0.00 0.00 0.00 0.00 51.96 52.27 3ek1 s ALA 395 Cb -0.13 -2.90 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3ek1 s ALA 395 CO 0.03 0.29 0.16 -0.59 0.00 0.00 0.00 175.76 175.65 3ek1 s PHE 396 N -1.67 0.24 -0.26 0.00 -0.12 -1.07 -4.85 117.98 110.24 3ek1 s PHE 396 Ca 0.48 -0.69 -0.11 0.00 -0.05 0.00 0.00 56.93 56.56 3ek1 s PHE 396 Cb -0.15 -0.12 -0.12 0.00 -0.63 0.00 0.00 43.02 41.99 3ek1 s PHE 396 CO 0.20 -0.53 -0.33 -0.25 -0.05 0.00 0.00 175.22 174.27 3ek1 n ASP 397 N -0.04 1.90 -4.37 1.98 8.00 -1.26 -0.98 116.55 121.77 3ek1 n ASP 397 Ca -0.14 0.26 -0.24 0.00 0.71 0.00 0.00 54.79 55.38 3ek1 n ASP 397 Cb 0.62 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.49 2.03 0.22 -3.53 -4.23 -1.26 -4.80 115.64 101.58 3ek1 s THR 398 Ca -0.37 -1.95 -0.08 0.00 -1.18 0.00 0.00 61.69 58.11 3ek1 s THR 398 Cb 0.13 -1.95 0.16 0.00 1.34 0.00 0.00 72.50 72.19 3ek1 s THR 398 CO 0.48 -0.23 1.77 -0.08 -0.54 0.00 0.00 174.62 176.02 3ek1 h GLU 399 N 3.25 0.51 -0.37 3.99 4.81 -1.99 -1.55 114.58 123.23 3ek1 h GLU 399 Ca -0.44 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3ek1 h GLU 399 Cb 1.21 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 3ek1 h GLU 399 CO 0.49 0.34 0.23 0.93 -0.73 0.00 0.00 179.01 180.27 3ek1 h GLU 400 N 0.52 0.49 -0.44 1.92 3.07 -1.99 -0.72 114.58 117.44 3ek1 h GLU 400 Ca 0.33 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3ek1 h GLU 400 Cb 0.36 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3ek1 h GLU 400 CO -0.27 0.36 0.22 1.49 -1.40 0.00 0.00 179.01 179.41 3ek1 h GLU 401 N 0.48 0.62 -0.01 2.33 4.81 -1.88 -1.40 114.58 119.54 3ek1 h GLU 401 Ca 0.13 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3ek1 h GLU 401 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3ek1 h GLU 401 CO -0.03 0.52 -0.48 -0.24 -0.73 0.00 0.00 179.01 178.05 3ek1 h VAL 402 N 0.57 1.35 -0.13 0.32 3.04 -0.82 -0.55 116.25 120.03 3ek1 h VAL 402 Ca 0.15 -1.66 -0.05 0.00 -1.01 0.00 0.00 66.70 64.13 3ek1 h VAL 402 Cb 0.09 1.89 -0.00 0.00 -2.01 0.00 0.00 31.29 31.26 3ek1 h VAL 402 CO -0.02 0.48 -0.10 0.40 -1.01 0.00 0.00 177.57 177.31 3ek1 h ILE 403 N 0.01 1.34 -0.57 3.17 2.04 -0.84 0.19 117.51 122.87 3ek1 h ILE 403 Ca -0.00 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.68 3ek1 h ILE 403 Cb 0.86 1.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 3ek1 h ILE 403 CO 0.06 0.36 0.29 0.00 0.00 0.00 0.00 178.15 178.86 3ek1 h ALA 404 N 0.61 0.74 -0.36 1.87 0.00 -1.01 -1.76 119.26 119.35 3ek1 h ALA 404 Ca 0.02 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 404 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3ek1 h ALA 404 CO 0.03 -0.05 -0.26 1.96 0.00 0.00 0.00 179.25 180.92 3ek1 h GLN 405 N 0.55 0.80 -0.98 0.00 4.20 -0.98 -2.71 115.11 116.00 3ek1 h GLN 405 Ca 0.25 -0.39 0.06 0.00 0.06 0.00 0.00 58.65 58.64 3ek1 h GLN 405 Cb 0.17 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.88 3ek1 h GLN 405 CO -0.18 1.02 0.63 0.00 -0.67 0.00 0.00 178.83 179.64 3ek1 h ALA 406 N 0.77 1.43 -0.00 3.87 0.00 -0.19 -2.46 119.26 122.66 3ek1 h ALA 406 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 406 Cb 0.83 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ek1 h ALA 406 CO 0.07 0.43 -0.04 0.09 0.00 0.00 0.00 179.25 179.80 3ek1 n ASN 407 N -4.49 0.54 -3.94 0.00 3.02 -0.70 -4.60 115.26 105.09 3ek1 n ASN 407 Ca 0.15 -0.95 -0.43 0.00 -0.03 0.00 0.00 54.58 53.33 3ek1 n ASN 407 Cb 0.18 -0.04 0.01 0.00 -0.61 0.00 0.00 39.78 39.32 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 -0.70 5.47 -3.50 6.41 2.03 -0.93 -4.82 116.55 120.51 3ek1 n ASP 408 Ca 0.19 -3.19 -0.15 0.00 0.52 0.00 0.00 54.79 52.16 3ek1 n ASP 408 Cb 0.23 -1.42 -0.05 0.00 -0.72 0.00 0.00 41.12 39.16 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 -0.46 0.01 -1.29 5.18 -1.32 -1.26 -5.00 115.64 111.49 3ek1 s THR 409 Ca 0.37 -0.05 0.20 0.00 -1.21 0.00 0.00 61.69 61.00 3ek1 s THR 409 Cb 0.07 -0.99 0.30 0.00 -1.51 0.00 0.00 72.50 70.37 3ek1 s THR 409 CO 0.03 -0.03 1.64 2.30 -2.21 0.00 0.00 174.62 176.35 3ek1 n ILE 410 N 0.40 0.45 -3.56 5.08 -5.35 -1.26 -4.89 119.36 110.24 3ek1 n ILE 410 Ca -0.18 0.11 -0.22 0.00 -0.27 0.00 0.00 62.75 62.19 3ek1 n ILE 410 Cb 0.60 -0.77 -0.01 0.00 -1.74 0.00 0.00 39.64 37.72 3ek1 n ILE 410 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ek1 s PHE 411 N -2.71 2.13 -0.31 4.28 0.08 -1.26 -1.55 117.98 118.64 3ek1 s PHE 411 Ca 0.16 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.59 3ek1 s PHE 411 Cb 0.13 -2.10 0.15 0.00 -0.57 0.00 0.00 43.02 40.63 3ek1 s PHE 411 CO 0.33 -0.43 1.19 0.41 -0.10 0.00 0.00 175.22 176.61 3ek1 n GLY 412 N -1.75 -1.15 0.00 4.36 0.00 -1.24 -4.82 105.19 100.58 3ek1 n GLY 412 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.12 0.06 -4.63 0.99 7.94 -1.26 -1.34 117.00 118.63 3ek1 n LEU 413 Ca -0.20 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.40 3ek1 n LEU 413 Cb 0.68 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.55 3ek1 n LEU 413 CO -0.11 0.00 -0.38 0.00 -1.11 0.00 0.00 177.39 175.79 3ek1 s ALA 414 N -4.04 3.13 0.11 1.96 0.00 -1.26 -1.38 121.76 120.29 3ek1 s ALA 414 Ca 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 51.96 50.74 3ek1 s ALA 414 Cb 0.00 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3ek1 s ALA 414 CO 0.00 0.67 0.12 0.00 0.00 0.00 0.00 175.76 176.55 3ek1 s ALA 415 N -1.26 0.35 -0.01 0.00 0.00 -0.10 -4.21 121.76 116.53 3ek1 s ALA 415 Ca 0.23 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 3ek1 s ALA 415 Cb -0.11 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.67 3ek1 s ALA 415 CO 0.16 -0.51 0.15 0.71 0.00 0.00 0.00 175.76 176.28 3ek1 s TYR 416 N -3.96 0.00 0.05 0.00 2.02 -0.58 -0.37 117.35 114.51 3ek1 s TYR 416 Ca 0.15 -0.04 -0.25 0.00 -0.37 0.00 0.00 57.07 56.55 3ek1 s TYR 416 Cb 0.06 -0.03 0.06 0.00 -0.40 0.00 0.00 41.96 41.66 3ek1 s TYR 416 CO -0.04 -0.27 0.59 -0.59 -1.57 0.00 0.00 175.55 173.66 3ek1 s PHE 417 N -1.23 -0.52 -0.12 2.71 -0.12 0.00 -0.58 117.98 118.13 3ek1 s PHE 417 Ca -0.13 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.37 3ek1 s PHE 417 Cb -0.07 0.42 0.02 0.00 -0.63 0.00 0.00 43.02 42.76 3ek1 s PHE 417 CO 0.02 -0.69 -0.10 0.71 -0.05 0.00 0.00 175.22 175.11 3ek1 s TYR 418 N -2.45 1.66 -0.01 3.49 2.02 0.31 -0.96 117.35 121.41 3ek1 s TYR 418 Ca -0.05 -0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 55.53 3ek1 s TYR 418 Cb -0.01 -1.31 0.08 0.00 -0.40 0.00 0.00 41.96 40.33 3ek1 s TYR 418 CO -0.01 -0.52 0.72 -0.08 -1.57 0.00 0.00 175.55 174.09 3ek1 s THR 419 N 1.50 0.00 -1.88 -0.71 -1.32 -1.26 -2.32 115.64 109.66 3ek1 s THR 419 Ca 0.02 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.70 3ek1 s THR 419 Cb -0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 3ek1 s THR 419 CO -0.07 0.00 1.01 -0.62 -2.21 0.00 0.00 174.62 172.73 3ek1 n GLU 420 N 0.50 1.42 -3.02 7.08 -0.58 -1.08 -4.86 120.64 120.10 3ek1 n GLU 420 Ca -0.17 -0.98 -0.40 0.00 -0.42 0.00 0.00 57.16 55.19 3ek1 n GLU 420 Cb 0.59 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 30.01 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 -2.24 6.91 0.06 1.62 3.84 -1.26 -4.98 114.94 118.89 3ek1 s ASN 421 Ca 0.17 1.10 -0.25 0.00 0.21 0.00 0.00 52.86 54.09 3ek1 s ASN 421 Cb 0.16 -2.41 -0.16 0.00 -0.55 0.00 0.00 41.25 38.29 3ek1 s ASN 421 CO 0.50 -0.24 1.61 0.15 -2.79 0.00 0.00 177.10 176.33 3ek1 h PHE 422 N 7.10 -0.17 -0.42 0.43 3.57 -2.00 -2.27 116.94 123.19 3ek1 h PHE 422 Ca -0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.14 3ek1 h PHE 422 Cb 1.16 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 3ek1 h PHE 422 CO 0.68 -0.02 0.23 0.77 -2.23 0.00 0.00 178.31 177.75 3ek1 h SER 423 N -0.28 0.52 -0.72 0.41 0.02 -2.00 -1.40 113.55 110.09 3ek1 h SER 423 Ca -0.02 -0.08 0.10 0.00 -0.84 0.00 0.00 61.79 60.95 3ek1 h SER 423 Cb 0.22 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 3ek1 h SER 423 CO 0.03 0.45 0.48 -0.09 -1.14 0.00 0.00 176.83 176.56 3ek1 h ARG 424 N 0.54 0.56 -0.48 3.45 2.43 -1.98 0.26 114.38 119.16 3ek1 h ARG 424 Ca 0.15 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3ek1 h ARG 424 Cb 0.04 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3ek1 h ARG 424 CO -0.02 0.37 0.28 0.00 -1.51 0.00 0.00 179.97 179.09 3ek1 h ALA 425 N 1.64 0.62 -0.27 2.80 0.00 -0.65 -0.47 119.26 122.94 3ek1 h ALA 425 Ca 0.34 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3ek1 h ALA 425 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 425 CO -0.12 0.12 -0.06 0.82 0.00 0.00 0.00 179.25 180.01 3ek1 h ILE 426 N 0.64 1.28 -0.46 0.00 1.08 -0.95 -2.21 117.51 116.90 3ek1 h ILE 426 Ca 0.17 -1.08 -0.03 0.00 -0.39 0.00 0.00 64.86 63.54 3ek1 h ILE 426 Cb 0.01 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 3ek1 h ILE 426 CO -0.03 0.34 0.17 0.03 -0.69 0.00 0.00 178.15 177.97 3ek1 h ARG 427 N 0.26 0.69 0.17 2.37 3.08 -0.47 -2.58 114.38 117.90 3ek1 h ARG 427 Ca 0.07 -0.13 -0.24 0.00 0.07 0.00 0.00 59.98 59.74 3ek1 h ARG 427 Cb 0.53 -0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.50 3ek1 h ARG 427 CO 0.03 0.63 -1.10 0.28 -1.07 0.00 0.00 179.97 178.74 3ek1 h VAL 428 N 0.60 1.37 -0.51 2.04 2.07 -1.18 -1.34 116.25 119.29 3ek1 h VAL 428 Ca 0.15 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 65.15 3ek1 h VAL 428 Cb 0.21 3.09 -0.03 0.00 -1.52 0.00 0.00 31.29 33.04 3ek1 h VAL 428 CO -0.01 0.75 0.34 0.77 0.02 0.00 0.00 177.57 179.43 3ek1 h SER 429 N -0.21 0.47 0.68 0.57 4.64 -1.44 -1.48 113.55 116.77 3ek1 h SER 429 Ca -0.20 -0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.85 3ek1 h SER 429 Cb 1.82 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3ek1 h SER 429 CO 0.18 0.32 -1.24 -0.33 -0.87 0.00 0.00 176.83 174.88 3ek1 h GLU 430 N 0.54 0.21 0.00 4.77 5.08 -1.43 -3.32 114.58 120.44 3ek1 h GLU 430 Ca 0.21 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3ek1 h GLU 430 Cb 0.16 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3ek1 h GLU 430 CO -0.05 1.15 -0.02 0.00 -1.00 0.00 0.00 179.01 179.09 3ek1 h ALA 431 N 0.65 0.99 -2.12 3.43 0.00 -0.66 -3.44 119.26 118.11 3ek1 h ALA 431 Ca -0.13 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.22 3ek1 h ALA 431 Cb 1.94 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 3ek1 h ALA 431 CO 0.18 0.00 0.94 -0.51 0.00 0.00 0.00 179.25 179.86 3ek1 s LEU 432 N -5.28 4.13 -1.37 0.00 1.43 -0.61 -4.90 118.68 112.09 3ek1 s LEU 432 Ca 0.09 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 3ek1 s LEU 432 Cb 0.09 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3ek1 s LEU 432 CO 0.63 -0.85 1.98 -0.62 0.23 0.00 0.00 176.35 177.73 3ek1 n GLU 433 N 6.81 3.15 -3.96 1.70 1.02 -1.26 -4.89 120.64 123.21 3ek1 n GLU 433 Ca 0.15 -3.06 -0.10 0.00 -0.02 0.00 0.00 57.16 54.13 3ek1 n GLU 433 Cb 0.45 -3.22 -0.12 0.00 -0.02 0.00 0.00 31.44 28.53 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 2.58 0.21 -0.06 -0.32 2.02 -1.26 -4.47 117.35 116.05 3ek1 s TYR 434 Ca 0.46 -0.41 0.25 0.00 -0.37 0.00 0.00 57.07 57.00 3ek1 s TYR 434 Cb 0.10 -0.15 0.78 0.00 -0.40 0.00 0.00 41.96 42.28 3ek1 s TYR 434 CO -0.03 -0.15 1.76 0.78 -1.57 0.00 0.00 175.55 176.35 3ek1 h GLY 435 N 4.98 0.00 -6.19 0.71 0.00 -0.76 -3.45 103.07 98.36 3ek1 h GLY 435 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.72 3ek1 h GLY 435 CO 0.43 0.00 -0.74 1.06 0.00 0.00 0.00 176.54 177.29 3ek1 s MET 436 N -3.45 0.18 -0.08 4.80 -1.94 -0.48 -4.76 119.30 113.57 3ek1 s MET 436 Ca 0.03 0.07 -0.00 0.00 -1.71 0.00 0.00 55.69 54.07 3ek1 s MET 436 Cb 0.08 -0.34 0.02 0.00 2.01 0.00 0.00 34.83 36.61 3ek1 s MET 436 CO 0.63 -0.10 -0.04 0.08 -0.01 0.00 0.00 175.02 175.58 3ek1 s VAL 437 N 0.75 0.71 -0.25 -6.03 1.01 -1.26 -0.93 120.40 114.41 3ek1 s VAL 437 Ca -0.07 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 3ek1 s VAL 437 Cb -0.10 -0.77 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 3ek1 s VAL 437 CO -0.02 0.30 0.21 -0.83 0.00 0.00 0.00 175.10 174.77 3ek1 s GLY 438 N 1.62 1.98 -0.27 4.51 0.00 0.50 -4.97 107.32 110.69 3ek1 s GLY 438 Ca 0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 3ek1 s GLY 438 CO -0.05 0.55 -0.02 -1.58 0.00 0.00 0.00 173.10 172.00 3ek1 s HIS 439 N 1.33 3.10 -1.76 1.90 2.46 -1.26 -0.82 115.29 120.25 3ek1 s HIS 439 Ca 0.09 -1.40 0.00 0.00 0.47 0.00 0.00 55.06 54.22 3ek1 s HIS 439 Cb -0.14 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 3ek1 s HIS 439 CO 0.07 -0.69 0.00 0.09 -2.47 0.00 0.00 174.74 171.74 3ek1 n ASN 440 N 4.72 -5.19 -3.73 9.88 3.02 -0.13 -4.97 115.26 118.86 3ek1 n ASN 440 Ca -0.16 0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.52 3ek1 n ASN 440 Cb 0.47 -4.27 -0.08 0.00 -0.61 0.00 0.00 39.78 35.29 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 -2.76 0.05 -1.34 3.41 -1.32 -1.26 -4.98 115.64 107.44 3ek1 s THR 441 Ca 0.00 -0.42 0.14 0.00 -1.21 0.00 0.00 61.69 60.20 3ek1 s THR 441 Cb 0.00 -0.69 0.01 0.00 -1.51 0.00 0.00 72.50 70.31 3ek1 s THR 441 CO 0.00 -0.23 0.80 0.61 -2.21 0.00 0.00 174.62 173.58 3ek1 n GLY 442 N 1.17 -0.07 3.15 6.08 0.00 -1.26 -4.64 105.19 109.61 3ek1 n GLY 442 Ca -0.21 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.78 2.99 0.00 0.99 1.43 -1.26 -4.18 118.68 116.87 3ek1 s LEU 443 Ca 0.12 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3ek1 s LEU 443 Cb 0.11 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.74 3ek1 s LEU 443 CO 0.32 -0.11 0.28 2.30 0.23 0.00 0.00 176.35 179.37 3ek1 n ILE 444 N 4.60 0.00 -2.79 -0.59 -5.35 -1.26 -5.07 119.36 108.89 3ek1 n ILE 444 Ca -0.17 -0.33 -0.40 0.00 -0.27 0.00 0.00 62.75 61.57 3ek1 n ILE 444 Cb 0.46 1.28 -0.05 0.00 -1.74 0.00 0.00 39.64 39.59 3ek1 n ILE 444 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ek1 s SER 445 N -0.11 7.51 0.11 7.28 0.01 -1.26 -5.01 113.70 122.23 3ek1 s SER 445 Ca 0.00 1.79 -0.24 0.00 1.31 0.00 0.00 55.95 58.81 3ek1 s SER 445 Cb 0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.74 3ek1 s SER 445 CO 0.00 0.06 1.13 0.54 0.41 0.00 0.00 173.24 175.37 3ek1 s ASN 446 N -0.56 0.01 0.00 2.44 2.20 -1.26 -5.05 114.94 112.71 3ek1 s ASN 446 Ca 0.43 -0.51 0.22 0.00 -0.94 0.00 0.00 52.86 52.05 3ek1 s ASN 446 Cb -0.24 0.37 -0.15 0.00 -2.00 0.00 0.00 41.25 39.24 3ek1 s ASN 446 CO 0.29 -0.75 0.91 -1.84 -2.94 0.00 0.00 177.10 172.78 3ek1 n GLU 447 N -0.77 0.10 0.01 3.55 0.00 -1.26 -4.51 120.64 117.75 3ek1 n GLU 447 Ca -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 57.16 57.24 3ek1 n GLU 447 Cb 0.59 -1.51 0.07 0.00 0.00 0.00 0.00 31.44 30.59 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 -1.63 0.04 -4.33 3.84 0.24 -1.26 -0.54 118.33 114.68 3ek1 n VAL 448 Ca 0.03 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.34 62.02 3ek1 n VAL 448 Cb 0.37 0.50 -0.09 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.05 2.90 -0.22 2.33 0.00 -1.26 -3.96 121.76 118.50 3ek1 s ALA 449 Ca 0.08 -1.59 -0.25 0.00 0.00 0.00 0.00 51.96 50.20 3ek1 s ALA 449 Cb 0.16 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3ek1 s ALA 449 CO 0.78 0.40 0.86 -1.25 0.00 0.00 0.00 175.76 176.55 3ek1 s PRO 450 N -3.07 4.23 -0.20 0.00 0.04 -1.26 -3.61 135.00 131.12 3ek1 s PRO 450 Ca 0.26 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 3ek1 s PRO 450 Cb -0.08 -3.62 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 3ek1 s PRO 450 CO 0.15 -0.48 0.05 -0.06 0.04 0.00 0.00 177.00 176.71 3ek1 s PHE 451 N 2.68 3.15 -2.67 0.56 0.08 0.14 -4.88 117.98 117.04 3ek1 s PHE 451 Ca 0.37 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 57.26 3ek1 s PHE 451 Cb -0.16 -2.12 0.00 0.00 -0.57 0.00 0.00 43.02 40.17 3ek1 s PHE 451 CO 0.09 -0.06 0.00 0.41 -0.10 0.00 0.00 175.22 175.55 3ek1 n GLY 452 N 4.05 -1.73 3.59 4.36 0.00 -1.26 -1.08 105.19 113.12 3ek1 n GLY 452 Ca -0.16 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.48 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 2.36 0.47 -0.02 0.00 -1.26 -4.12 107.32 104.75 3ek1 s GLY 453 Ca 0.00 -2.20 0.06 0.00 0.00 0.00 0.00 44.72 42.58 3ek1 s GLY 453 CO 0.00 -2.06 0.28 -1.34 0.00 0.00 0.00 173.10 169.98 3ek1 s VAL 454 N -2.66 2.04 0.00 1.40 -7.23 -0.45 -4.34 120.40 109.16 3ek1 s VAL 454 Ca 0.34 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3ek1 s VAL 454 Cb 0.06 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3ek1 s VAL 454 CO 0.18 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.26 3ek1 n LYS 455 N -1.49 0.00 -0.02 4.82 5.02 -1.26 -2.16 118.16 123.06 3ek1 n LYS 455 Ca -0.02 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.29 3ek1 n LYS 455 Cb 0.64 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.75 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 13.43 1.12 0.00 1.97 6.02 -0.59 -3.59 117.38 135.74 3ek1 n GLN 456 Ca 0.00 -0.19 0.14 0.00 -0.01 0.00 0.00 57.00 56.95 3ek1 n GLN 456 Cb 0.00 -1.08 0.67 0.00 1.02 0.00 0.00 30.24 30.85 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 -0.39 0.07 0.00 1.08 7.64 -0.92 -4.54 113.62 116.56 3ek1 n SER 457 Ca 0.04 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3ek1 n SER 457 Cb 0.05 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 1.37 0.78 2.95 0.23 0.00 -1.24 -0.23 105.19 109.06 3ek1 n GLY 458 Ca 0.11 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 44.11 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 1.96 0.00 0.99 1.43 -0.21 -4.54 118.68 118.32 3ek1 s LEU 459 Ca 0.00 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3ek1 s LEU 459 Cb 0.00 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 45.96 3ek1 s LEU 459 CO 0.00 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3ek1 n GLY 460 N 3.03 -0.52 3.17 -3.19 0.00 -1.26 -1.46 105.19 104.96 3ek1 n GLY 460 Ca -0.14 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.06 0.82 0.15 1.61 1.81 -1.26 -4.44 118.95 115.58 3ek1 s ARG 461 Ca 0.00 -1.05 0.09 0.00 -1.72 0.00 0.00 55.73 53.04 3ek1 s ARG 461 Cb 0.00 -0.63 -0.04 0.00 -0.45 0.00 0.00 34.95 33.83 3ek1 s ARG 461 CO 0.00 0.12 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.33 3ek1 s GLU 462 N -2.30 1.26 0.15 3.54 2.02 -0.24 -4.52 118.70 118.62 3ek1 s GLU 462 Ca 0.02 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.65 3ek1 s GLU 462 Cb -0.06 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.77 3ek1 s GLU 462 CO 0.01 0.30 0.00 0.41 0.02 0.00 0.00 175.26 176.00 3ek1 n GLY 463 N 0.50 -1.70 0.65 -1.39 0.00 -1.26 -0.69 105.19 101.30 3ek1 n GLY 463 Ca -0.15 -1.37 0.09 0.00 0.00 0.00 0.00 46.02 44.59 3ek1 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 464 N -2.57 -3.92 0.26 1.61 3.41 0.30 -2.25 113.62 110.45 3ek1 n SER 464 Ca -0.00 0.41 0.16 0.00 -0.26 0.00 0.00 58.87 59.18 3ek1 n SER 464 Cb 0.27 -2.08 0.85 0.00 -0.26 0.00 0.00 64.21 63.00 3ek1 n SER 464 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3ek1 h LYS 465 N -0.62 0.00 -0.00 4.33 2.10 -1.90 -2.60 116.57 117.89 3ek1 h LYS 465 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3ek1 h LYS 465 Cb 0.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.94 3ek1 h LYS 465 CO 0.02 0.00 -0.54 0.66 -2.00 0.00 0.00 179.45 177.58 3ek1 n TYR 466 N -2.65 0.00 0.03 0.07 4.01 -1.26 -4.55 117.16 112.82 3ek1 n TYR 466 Ca -0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 3ek1 n TYR 466 Cb 0.13 -0.19 -0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3ek1 n TYR 466 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ek1 h GLY 467 N 4.99 0.64 1.92 2.72 0.00 -1.03 -3.28 103.07 109.02 3ek1 h GLY 467 Ca 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 47.33 46.30 3ek1 h GLY 467 CO 0.00 0.85 -0.27 1.19 0.00 0.00 0.00 176.54 178.31 3ek1 h ILE 468 N 0.37 1.22 0.00 2.60 2.10 -1.80 -2.87 117.51 119.14 3ek1 h ILE 468 Ca -0.06 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.84 3ek1 h ILE 468 Cb 1.44 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.65 3ek1 h ILE 468 CO 0.15 0.31 0.00 1.05 -1.08 0.00 0.00 178.15 178.58 3ek1 h GLU 469 N 0.09 0.00 0.00 2.19 4.11 -1.86 0.42 114.58 119.52 3ek1 h GLU 469 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3ek1 h GLU 469 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3ek1 h GLU 469 CO 0.04 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.05 3ek1 h GLU 470 N 0.00 0.00 -0.17 1.06 4.39 -1.69 -2.66 114.58 115.51 3ek1 h GLU 470 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ek1 h GLU 470 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 3ek1 h GLU 470 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3ek1 n TYR 471 N -2.64 0.48 -4.22 4.33 4.01 0.13 -4.99 117.16 114.27 3ek1 n TYR 471 Ca -0.00 -0.79 -0.19 0.00 -0.16 0.00 0.00 57.90 56.75 3ek1 n TYR 471 Cb 0.18 -0.18 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 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 -2.28 2.32 -0.06 7.72 1.43 -1.00 -1.21 118.68 125.61 3ek1 s LEU 472 Ca 0.31 -0.69 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3ek1 s LEU 472 Cb 0.24 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.84 3ek1 s LEU 472 CO 0.07 -0.07 -0.15 -1.61 0.23 0.00 0.00 176.35 174.82 3ek1 s GLU 473 N -2.08 2.62 -0.03 1.70 0.41 0.11 -4.70 118.70 116.72 3ek1 s GLU 473 Ca 0.03 -0.72 -0.24 0.00 -0.41 0.00 0.00 54.97 53.63 3ek1 s GLU 473 Cb -0.08 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.84 3ek1 s GLU 473 CO 0.03 0.54 0.72 0.99 -0.49 0.00 0.00 175.26 177.05 3ek1 s THR 474 N -0.52 4.96 -0.14 3.63 2.01 -1.26 -1.43 115.64 122.89 3ek1 s THR 474 Ca 0.07 1.51 0.01 0.00 0.31 0.00 0.00 61.69 63.59 3ek1 s THR 474 Cb -0.12 -4.06 0.02 0.00 0.01 0.00 0.00 72.50 68.35 3ek1 s THR 474 CO 0.01 0.28 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.31 3ek1 s LYS 475 N 0.56 2.45 -0.23 4.92 2.20 -0.19 -5.01 119.74 124.44 3ek1 s LYS 475 Ca 0.38 -0.63 -0.15 0.00 -0.36 0.00 0.00 55.97 55.21 3ek1 s LYS 475 Cb -0.19 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 3ek1 s LYS 475 CO 0.20 -0.16 0.37 -0.47 -0.36 0.00 0.00 175.35 174.93 3ek1 s TYR 476 N 1.24 3.33 -0.19 4.03 5.04 -1.26 -1.18 117.35 128.36 3ek1 s TYR 476 Ca 0.00 0.52 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 3ek1 s TYR 476 Cb -0.14 -2.52 0.00 0.00 0.35 0.00 0.00 41.96 39.65 3ek1 s TYR 476 CO -0.07 -0.07 -0.11 0.42 -1.34 0.00 0.00 175.55 174.37 3ek1 s ILE 477 N 1.54 2.85 -0.32 3.14 1.01 0.62 -5.01 121.20 125.03 3ek1 s ILE 477 Ca 0.17 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 3ek1 s ILE 477 Cb -0.15 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.11 3ek1 s ILE 477 CO 0.08 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.56 3ek1 s SER 479 N 1.35 4.59 0.18 0.00 0.01 -0.14 -4.96 113.70 114.73 3ek1 s SER 479 Ca -0.03 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.88 3ek1 s SER 479 Cb -0.19 -1.77 -0.07 0.00 0.21 0.00 0.00 66.02 64.20 3ek1 s SER 479 CO 0.01 0.07 0.51 0.00 0.41 0.00 0.00 173.24 174.23 3ek1 s ALA 480 N 0.98 3.62 0.12 1.44 0.00 -1.26 -0.65 121.76 126.00 3ek1 s ALA 480 Ca 0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 3ek1 s ALA 480 Cb -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 3ek1 s ALA 480 CO 0.01 0.53 0.04 1.52 0.00 0.00 0.00 175.76 177.86 3ek1 s TYR 481 N -1.69 0.81 -0.36 0.00 -0.85 -0.36 -4.97 117.35 109.93 3ek1 s TYR 481 Ca 0.43 -1.19 -0.22 0.00 -0.52 0.00 0.00 57.07 55.57 3ek1 s TYR 481 Cb -0.12 -0.47 0.01 0.00 0.38 0.00 0.00 41.96 41.75 3ek1 s TYR 481 CO 0.21 -0.48 0.74 -1.59 -1.52 0.00 0.00 175.55 172.91 3ek1 s LYS 482 N -4.02 3.75 0.00 -3.49 0.00 -1.26 -4.73 119.74 109.99 3ek1 s LYS 482 Ca 0.21 0.25 0.16 0.00 0.00 0.00 0.00 55.97 56.59 3ek1 s LYS 482 Cb 0.08 -3.80 0.95 0.00 0.00 0.00 0.00 37.83 35.05 3ek1 s LYS 482 CO -0.01 -0.80 1.36 0.54 0.00 0.00 0.00 175.35 176.45