#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 4.38 -1.31 -0.89 1.43 -1.26 -4.90 118.68 116.13 3ek1 s LEU 2 Ca 0.00 2.70 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 3ek1 s LEU 2 Cb 0.00 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.52 3ek1 s LEU 2 CO 0.00 -0.71 2.58 0.00 0.23 0.00 0.00 176.35 178.45 3ek1 n ALA 3 N 2.13 6.27 -2.65 4.21 0.00 -1.26 -4.93 120.51 124.28 3ek1 n ALA 3 Ca 0.06 -2.85 -0.39 0.00 0.00 0.00 0.00 53.44 50.26 3ek1 n ALA 3 Cb 0.40 -3.21 -0.05 0.00 0.00 0.00 0.00 19.45 16.59 3ek1 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ek1 s LEU 4 N 0.17 4.34 0.56 0.00 1.43 -1.26 -4.95 118.68 118.96 3ek1 s LEU 4 Ca 0.56 1.13 0.26 0.00 -1.03 0.00 0.00 54.13 55.05 3ek1 s LEU 4 Cb 0.14 -2.98 1.51 0.00 0.03 0.00 0.00 46.19 44.89 3ek1 s LEU 4 CO -0.05 -0.04 2.06 0.11 0.23 0.00 0.00 176.35 178.66 3ek1 h LYS 5 N 6.44 0.00 -3.01 1.70 1.57 -1.97 -3.35 116.57 117.95 3ek1 h LYS 5 Ca -0.42 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.81 3ek1 h LYS 5 Cb 1.19 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.11 3ek1 h LYS 5 CO 0.74 0.00 -0.78 0.34 -0.57 0.00 0.00 179.45 179.18 3ek1 s ASP 6 N -6.06 3.63 0.00 0.86 -1.08 -1.26 -5.00 116.67 107.76 3ek1 s ASP 6 Ca -0.05 -1.53 0.23 0.00 -0.52 0.00 0.00 52.55 50.67 3ek1 s ASP 6 Cb 0.17 -0.53 1.02 0.00 -1.46 0.00 0.00 42.92 42.11 3ek1 s ASP 6 CO 0.63 -0.41 1.73 -0.81 0.52 0.00 0.00 175.17 176.82 3ek1 n PRO 7 N 4.95 0.08 0.00 4.34 -0.04 -1.26 -2.46 135.00 140.61 3ek1 n PRO 7 Ca -0.02 0.10 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 3ek1 n PRO 7 Cb 0.41 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.45 0.00 0.10 3.54 3.41 -1.26 -2.81 113.62 115.15 3ek1 n SER 8 Ca 0.07 -0.37 0.12 0.00 -0.26 0.00 0.00 58.87 58.43 3ek1 n SER 8 Cb 0.24 -0.04 0.12 0.00 -0.26 0.00 0.00 64.21 64.27 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 -8.77 1.04 3.38 -1.88 -3.43 115.31 105.64 3ek1 h LEU 9 Ca 0.00 -0.10 -0.63 0.00 0.09 0.00 0.00 57.88 57.24 3ek1 h LEU 9 Cb 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.64 3ek1 h LEU 9 CO 0.00 0.05 0.19 -0.22 0.09 0.00 0.00 178.44 178.55 3ek1 s LEU 10 N -4.90 4.24 0.26 1.67 2.96 -1.12 -3.85 118.68 117.93 3ek1 s LEU 10 Ca 0.04 0.16 0.10 0.00 -0.22 0.00 0.00 54.13 54.22 3ek1 s LEU 10 Cb 0.11 -2.83 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 3ek1 s LEU 10 CO 0.73 -0.63 -0.09 -0.54 -1.32 0.00 0.00 176.35 174.51 3ek1 s LYS 11 N 2.79 2.04 0.00 1.98 -0.14 -1.26 -5.02 119.74 120.13 3ek1 s LYS 11 Ca 0.26 -1.52 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 3ek1 s LYS 11 Cb -0.14 -2.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.99 3ek1 s LYS 11 CO 0.15 0.36 0.79 -1.13 -0.76 0.00 0.00 175.35 174.77 3ek1 n SER 12 N -0.65 1.29 -4.44 2.83 3.41 -1.26 -4.81 113.62 109.99 3ek1 n SER 12 Ca -0.07 -1.61 -0.21 0.00 -0.26 0.00 0.00 58.87 56.72 3ek1 n SER 12 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.61 1.61 0.01 4.33 -0.21 -1.26 -3.96 119.66 119.57 3ek1 s GLN 13 Ca 0.00 -1.86 -0.07 0.00 0.02 0.00 0.00 55.36 53.45 3ek1 s GLN 13 Cb 0.00 -1.00 -0.05 0.00 1.00 0.00 0.00 33.01 32.96 3ek1 s GLN 13 CO 0.00 -0.09 0.28 0.00 -2.12 0.00 0.00 175.29 173.36 3ek1 s LEU 15 N -1.74 4.29 -0.09 0.00 2.96 -0.79 -0.81 118.68 122.50 3ek1 s LEU 15 Ca 0.28 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3ek1 s LEU 15 Cb -0.13 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.75 3ek1 s LEU 15 CO 0.16 -1.05 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.43 3ek1 s VAL 16 N 3.49 0.57 -1.44 1.68 1.01 -0.02 -1.29 120.40 124.40 3ek1 s VAL 16 Ca 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3ek1 s VAL 16 Cb -0.13 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.57 3ek1 s VAL 16 CO 0.20 0.29 0.46 -3.20 0.00 0.00 0.00 175.10 172.85 3ek1 n ASN 17 N 5.09 -0.69 0.00 3.32 5.15 -1.26 -1.35 115.26 125.52 3ek1 n ASN 17 Ca -0.09 -1.00 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 3ek1 n ASN 17 Cb 0.50 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.70 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 -1.92 0.96 3.38 8.20 0.00 -1.26 -4.51 105.19 110.03 3ek1 n GLY 18 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.00 1.38 -0.28 1.61 0.52 -0.46 -5.00 118.95 116.72 3ek1 s ARG 19 Ca 0.00 -1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 53.70 3ek1 s ARG 19 Cb 0.00 -1.75 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 3ek1 s ARG 19 CO 0.00 0.40 0.29 -1.58 0.02 0.00 0.00 175.30 174.43 3ek1 s TRP 20 N -1.34 3.23 0.22 -0.53 0.52 -1.26 -0.84 118.94 118.94 3ek1 s TRP 20 Ca 0.15 0.26 0.07 0.00 0.02 0.00 0.00 56.10 56.61 3ek1 s TRP 20 Cb -0.09 -2.49 -0.05 0.00 -1.15 0.00 0.00 33.47 29.69 3ek1 s TRP 20 CO 0.07 -0.20 -0.12 0.96 0.02 0.00 0.00 176.95 177.67 3ek1 s ILE 21 N 1.93 1.68 0.42 2.03 -4.36 0.01 -4.88 121.20 118.02 3ek1 s ILE 21 Ca 0.11 -2.19 0.08 0.00 -0.26 0.00 0.00 60.65 58.39 3ek1 s ILE 21 Cb -0.16 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 3ek1 s ILE 21 CO 0.10 -0.53 0.42 -1.81 0.24 0.00 0.00 174.94 173.36 3ek1 s ASP 22 N -3.34 5.18 0.52 4.36 1.01 -1.26 -1.34 116.67 121.80 3ek1 s ASP 22 Ca 0.24 -0.67 -0.22 0.00 0.71 0.00 0.00 52.55 52.60 3ek1 s ASP 22 Cb 0.00 -0.60 -0.06 0.00 1.01 0.00 0.00 42.92 43.28 3ek1 s ASP 22 CO 0.08 -0.67 1.30 0.00 0.21 0.00 0.00 175.17 176.09 3ek1 s ALA 23 N -2.44 2.88 0.40 5.23 0.00 -1.26 -4.90 121.76 121.66 3ek1 s ALA 23 Ca 0.50 1.22 0.15 0.00 0.00 0.00 0.00 51.96 53.83 3ek1 s ALA 23 Cb -0.05 -3.51 0.89 0.00 0.00 0.00 0.00 23.12 20.45 3ek1 s ALA 23 CO 0.29 -1.16 1.91 0.00 0.00 0.00 0.00 175.76 176.80 3ek1 h ALA 24 N 1.67 1.47 -0.43 0.00 0.00 -1.94 -0.09 119.26 119.95 3ek1 h ALA 24 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 3ek1 h ALA 24 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ek1 h ALA 24 CO 0.58 0.35 0.00 -0.40 0.00 0.00 0.00 179.25 179.78 3ek1 n ASP 25 N -4.11 2.94 0.00 0.00 5.68 -1.26 -4.97 116.55 114.83 3ek1 n ASP 25 Ca -0.02 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 3ek1 n ASP 25 Cb 0.34 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 3ek1 n ASP 25 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 26 N 1.40 0.96 3.72 6.12 0.00 -0.05 -5.00 105.19 112.33 3ek1 n GLY 26 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3ek1 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 27 N -2.55 2.29 0.17 2.61 -4.23 -1.26 -4.86 115.64 107.81 3ek1 s THR 27 Ca 0.00 0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.55 3ek1 s THR 27 Cb 0.00 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 71.12 3ek1 s THR 27 CO 0.00 -0.08 0.33 0.42 -0.54 0.00 0.00 174.62 174.75 3ek1 s THR 28 N -1.98 0.06 -0.06 3.99 -4.23 -1.26 -1.75 115.64 110.40 3ek1 s THR 28 Ca 0.74 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 3ek1 s THR 28 Cb -0.29 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 71.71 3ek1 s THR 28 CO 0.46 -0.25 -0.24 -0.63 -0.54 0.00 0.00 174.62 173.41 3ek1 s ILE 29 N -3.96 2.15 0.17 2.99 1.01 0.18 -4.71 121.20 119.02 3ek1 s ILE 29 Ca 0.16 -1.03 -0.18 0.00 0.00 0.00 0.00 60.65 59.61 3ek1 s ILE 29 Cb 0.02 -1.79 -0.07 0.00 0.01 0.00 0.00 42.46 40.63 3ek1 s ILE 29 CO 0.00 0.57 0.63 -0.54 0.00 0.00 0.00 174.94 175.60 3ek1 s LYS 30 N -0.14 4.14 -0.24 2.79 1.02 -1.26 -1.46 119.74 124.58 3ek1 s LYS 30 Ca -0.04 0.70 -0.01 0.00 0.02 0.00 0.00 55.97 56.64 3ek1 s LYS 30 Cb -0.14 -2.96 0.02 0.00 -0.52 0.00 0.00 37.83 34.23 3ek1 s LYS 30 CO 0.04 0.47 -0.07 0.08 -0.92 0.00 0.00 175.35 174.95 3ek1 s VAL 31 N -1.43 2.83 0.07 3.17 1.01 -0.44 -4.98 120.40 120.63 3ek1 s VAL 31 Ca 0.39 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.39 3ek1 s VAL 31 Cb -0.17 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3ek1 s VAL 31 CO 0.20 0.23 0.08 -0.89 0.00 0.00 0.00 175.10 174.72 3ek1 s THR 32 N 1.33 4.53 -0.39 3.92 2.01 -1.26 0.28 115.64 126.05 3ek1 s THR 32 Ca 0.01 -0.74 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 3ek1 s THR 32 Cb -0.16 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.19 3ek1 s THR 32 CO -0.05 0.15 0.86 0.21 -0.69 0.00 0.00 174.62 175.09 3ek1 s ASN 33 N -2.33 6.57 0.03 3.53 3.84 0.45 -4.72 114.94 122.31 3ek1 s ASN 33 Ca 0.29 0.34 0.09 0.00 0.21 0.00 0.00 52.86 53.79 3ek1 s ASN 33 Cb -0.12 -2.43 0.41 0.00 -0.55 0.00 0.00 41.25 38.56 3ek1 s ASN 33 CO 0.21 -0.85 1.29 -0.81 -2.79 0.00 0.00 177.10 174.16 3ek1 n PRO 34 N 6.70 0.02 0.10 0.43 -0.04 -1.26 0.38 135.00 141.33 3ek1 n PRO 34 Ca 0.05 0.38 -0.01 0.00 -0.04 0.00 0.00 63.50 63.88 3ek1 n PRO 34 Cb 0.48 -1.54 -0.04 0.00 -0.04 0.00 0.00 33.50 32.36 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 2.25 0.58 0.00 0.55 0.00 -1.92 -3.41 119.26 117.31 3ek1 h ALA 35 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3ek1 h ALA 35 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ek1 h ALA 35 CO 0.00 0.88 0.00 -0.40 0.00 0.00 0.00 179.25 179.73 3ek1 n ASP 36 N -3.22 0.00 0.00 0.00 5.68 -0.96 -4.92 116.55 113.14 3ek1 n ASP 36 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 3ek1 n ASP 36 Cb 0.82 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 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 0.08 0.47 3.76 6.12 0.00 0.16 -5.04 105.19 110.74 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 -2.79 5.22 -0.19 1.61 1.04 -1.26 -4.60 113.70 112.72 3ek1 s SER 38 Ca 0.00 2.25 -0.27 0.00 0.48 0.00 0.00 55.95 58.41 3ek1 s SER 38 Cb 0.00 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 3ek1 s SER 38 CO 0.00 -1.57 0.93 -0.69 0.98 0.00 0.00 173.24 172.89 3ek1 s VAL 39 N -1.83 4.79 0.12 5.02 1.01 -1.26 -0.41 120.40 127.84 3ek1 s VAL 39 Ca 0.74 1.82 0.00 0.00 0.00 0.00 0.00 61.98 64.54 3ek1 s VAL 39 Cb -0.26 -4.22 -0.21 0.00 0.00 0.00 0.00 36.38 31.68 3ek1 s VAL 39 CO 0.34 -0.06 1.27 0.40 0.00 0.00 0.00 175.10 177.04 3ek1 h ILE 40 N 5.30 1.53 0.00 2.22 2.04 -0.51 -3.48 117.51 124.61 3ek1 h ILE 40 Ca -0.25 -2.92 0.00 0.00 1.00 0.00 0.00 64.86 62.69 3ek1 h ILE 40 Cb 1.10 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 3ek1 h ILE 40 CO 0.89 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.50 3ek1 n GLY 41 N 1.21 -1.87 3.46 5.37 0.00 -1.21 -5.03 105.19 107.12 3ek1 n GLY 41 Ca -0.05 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.57 1.60 0.08 2.61 -4.23 -1.26 -1.33 115.64 110.53 3ek1 s THR 42 Ca 0.00 -2.08 0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3ek1 s THR 42 Cb 0.00 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 3ek1 s THR 42 CO 0.00 -0.19 -0.06 0.68 -0.54 0.00 0.00 174.62 174.51 3ek1 s VAL 43 N -3.03 0.57 0.68 2.29 -7.23 -0.54 -4.11 120.40 109.03 3ek1 s VAL 43 Ca 0.32 -1.78 -0.15 0.00 -1.81 0.00 0.00 61.98 58.56 3ek1 s VAL 43 Cb 0.06 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.52 3ek1 s VAL 43 CO 0.14 -0.83 1.15 -2.84 -0.31 0.00 0.00 175.10 172.41 3ek1 s PRO 44 N -3.51 2.58 -0.71 4.82 0.02 -1.25 0.51 135.00 137.45 3ek1 s PRO 44 Ca 0.07 1.55 -0.05 0.00 0.02 0.00 0.00 61.00 62.59 3ek1 s PRO 44 Cb 0.04 -1.91 0.18 0.00 0.02 0.00 0.00 34.50 32.83 3ek1 s PRO 44 CO -0.05 -1.45 0.57 0.45 -0.33 0.00 0.00 177.00 176.19 3ek1 s SER 45 N -2.31 5.70 0.51 2.53 0.15 -0.72 -3.80 113.70 115.77 3ek1 s SER 45 Ca 0.70 -2.95 -0.20 0.00 0.70 0.00 0.00 55.95 54.21 3ek1 s SER 45 Cb -0.24 -1.95 -0.07 0.00 -1.71 0.00 0.00 66.02 62.05 3ek1 s SER 45 CO 0.42 -0.39 1.06 -0.76 1.20 0.00 0.00 173.24 174.77 3ek1 s LEU 46 N -0.20 3.79 0.61 3.45 1.43 -0.58 -4.72 118.68 122.46 3ek1 s LEU 46 Ca 0.19 1.98 -0.07 0.00 -1.03 0.00 0.00 54.13 55.20 3ek1 s LEU 46 Cb -0.16 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.50 3ek1 s LEU 46 CO -0.06 -0.93 0.94 -0.94 0.23 0.00 0.00 176.35 175.59 3ek1 s SER 47 N -1.99 5.59 0.21 2.29 1.04 -1.26 -4.67 113.70 114.91 3ek1 s SER 47 Ca 0.68 0.80 -0.10 0.00 0.48 0.00 0.00 55.95 57.82 3ek1 s SER 47 Cb -0.18 -1.77 0.16 0.00 0.10 0.00 0.00 66.02 64.33 3ek1 s SER 47 CO 0.23 -1.10 1.88 0.58 0.98 0.00 0.00 173.24 175.81 3ek1 h VAL 48 N -0.26 1.19 -0.84 5.02 2.07 -1.95 -1.78 116.25 119.69 3ek1 h VAL 48 Ca -0.45 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 66.78 3ek1 h VAL 48 Cb 1.25 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3ek1 h VAL 48 CO 0.61 0.19 0.55 0.00 0.02 0.00 0.00 177.57 178.94 3ek1 h ALA 49 N 1.28 1.59 -0.26 1.67 0.00 -1.99 0.93 119.26 122.47 3ek1 h ALA 49 Ca 0.28 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 49 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 3ek1 h ALA 49 CO -0.06 0.28 -0.41 1.15 0.00 0.00 0.00 179.25 180.21 3ek1 h THR 50 N 0.93 1.30 -0.46 0.00 2.02 -1.80 -2.78 112.91 112.11 3ek1 h THR 50 Ca 0.37 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 3ek1 h THR 50 Cb 0.23 1.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3ek1 h THR 50 CO -0.13 0.50 0.22 0.40 0.37 0.00 0.00 175.52 176.88 3ek1 h ILE 51 N 0.52 1.19 -0.82 3.11 1.08 -0.23 -1.63 117.51 120.72 3ek1 h ILE 51 Ca 0.04 -0.53 0.14 0.00 -0.39 0.00 0.00 64.86 64.12 3ek1 h ILE 51 Cb 0.93 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.31 3ek1 h ILE 51 CO 0.08 0.21 0.54 0.11 -0.69 0.00 0.00 178.15 178.40 3ek1 h LYS 52 N 0.60 0.58 -0.10 2.37 1.57 -0.78 -0.26 116.57 120.55 3ek1 h LYS 52 Ca 0.16 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.70 3ek1 h LYS 52 Cb 0.12 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3ek1 h LYS 52 CO -0.02 0.39 -0.74 0.93 -0.57 0.00 0.00 179.45 179.44 3ek1 h GLU 53 N 0.60 0.68 -0.83 3.15 5.08 -1.14 -1.47 114.58 120.64 3ek1 h GLU 53 Ca 0.40 -0.60 0.12 0.00 -1.00 0.00 0.00 59.36 58.29 3ek1 h GLU 53 Cb 0.71 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 30.01 3ek1 h GLU 53 CO -0.16 1.21 0.46 0.00 -1.00 0.00 0.00 179.01 179.51 3ek1 h ALA 54 N 0.48 1.22 -0.34 3.43 0.00 -0.42 0.22 119.26 123.86 3ek1 h ALA 54 Ca -0.06 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 54 Cb 1.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3ek1 h ALA 54 CO 0.15 0.01 0.09 0.82 0.00 0.00 0.00 179.25 180.33 3ek1 h ILE 55 N 0.71 1.21 -0.71 0.00 2.04 -0.78 0.26 117.51 120.25 3ek1 h ILE 55 Ca 0.43 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 3ek1 h ILE 55 Cb 0.49 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3ek1 h ILE 55 CO -0.30 0.24 0.36 0.44 0.00 0.00 0.00 178.15 178.89 3ek1 h ASP 56 N 0.39 0.91 -0.77 1.72 3.32 -0.95 -1.53 116.42 119.51 3ek1 h ASP 56 Ca 0.11 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.12 3ek1 h ASP 56 Cb 0.27 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 3ek1 h ASP 56 CO -0.00 0.77 0.50 0.00 -1.72 0.00 0.00 179.24 178.79 3ek1 h ALA 57 N 1.18 1.74 -0.23 3.45 0.00 0.44 -1.17 119.26 124.67 3ek1 h ALA 57 Ca 0.25 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3ek1 h ALA 57 Cb 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ek1 h ALA 57 CO -0.03 0.11 -0.26 1.03 0.00 0.00 0.00 179.25 180.10 3ek1 h SER 58 N 0.74 0.63 -0.66 0.00 0.87 0.26 -2.55 113.55 112.84 3ek1 h SER 58 Ca 0.35 -0.49 -0.04 0.00 -1.23 0.00 0.00 61.79 60.37 3ek1 h SER 58 Cb 0.38 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3ek1 h SER 58 CO -0.13 0.99 0.25 0.00 -0.53 0.00 0.00 176.83 177.41 3ek1 h ALA 59 N 0.66 1.16 -0.35 6.23 0.00 -0.96 -1.43 119.26 124.55 3ek1 h ALA 59 Ca 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3ek1 h ALA 59 Cb 0.82 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3ek1 h ALA 59 CO 0.06 0.60 -0.22 -0.22 0.00 0.00 0.00 179.25 179.48 3ek1 h LYS 60 N 0.99 0.69 0.00 0.00 3.64 -1.09 -2.74 116.57 118.06 3ek1 h LYS 60 Ca 0.23 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3ek1 h LYS 60 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3ek1 h LYS 60 CO -0.02 0.85 -0.19 0.00 -2.27 0.00 0.00 179.45 177.82 3ek1 h ALA 61 N 1.16 0.94 -0.25 5.00 0.00 -1.07 -3.36 119.26 121.69 3ek1 h ALA 61 Ca 0.09 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 61 Cb 0.69 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3ek1 h ALA 61 CO 0.05 0.24 -0.09 1.25 0.00 0.00 0.00 179.25 180.70 3ek1 h LEU 62 N 0.00 -0.30 -0.42 0.00 5.85 -0.95 -2.74 115.31 116.75 3ek1 h LEU 62 Ca -0.00 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3ek1 h LEU 62 Cb 0.88 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3ek1 h LEU 62 CO 0.02 -0.11 0.19 -1.28 -0.34 0.00 0.00 178.44 176.92 3ek1 h SER 63 N -0.04 0.26 -0.59 1.25 0.87 -1.72 0.53 113.55 114.12 3ek1 h SER 63 Ca 0.12 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.62 3ek1 h SER 63 Cb 0.23 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3ek1 h SER 63 CO -0.28 0.19 0.00 1.23 -0.53 0.00 0.00 176.83 177.45 3ek1 h GLY 64 N 0.39 1.12 0.88 5.77 0.00 -1.79 -1.29 103.07 108.16 3ek1 h GLY 64 Ca 0.19 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 3ek1 h GLY 64 CO -0.15 0.76 -0.06 -0.25 0.00 0.00 0.00 176.54 176.84 3ek1 h TRP 65 N 0.94 0.62 -0.42 5.60 2.91 -1.13 -2.76 115.95 121.70 3ek1 h TRP 65 Ca 0.17 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 60.01 3ek1 h TRP 65 Cb 0.55 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.03 3ek1 h TRP 65 CO 0.04 0.74 0.06 0.00 -1.03 0.00 0.00 178.44 178.25 3ek1 h ALA 66 N 0.79 1.32 0.00 2.65 0.00 -0.88 -2.93 119.26 120.21 3ek1 h ALA 66 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ek1 h ALA 66 Cb 0.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ek1 h ALA 66 CO 0.03 0.47 -0.00 0.00 0.00 0.00 0.00 179.25 179.75 3ek1 h ALA 67 N 1.45 1.00 -2.76 0.00 0.00 -1.04 -3.44 119.26 114.47 3ek1 h ALA 67 Ca 0.14 -0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.49 3ek1 h ALA 67 Cb 0.31 -0.00 0.17 0.00 0.00 0.00 0.00 17.79 18.27 3ek1 h ALA 67 CO 0.00 0.00 0.20 1.63 0.00 0.00 0.00 179.25 181.08 3ek1 n LYS 68 N -3.10 0.59 -1.35 0.00 5.02 -1.06 -4.98 118.16 113.28 3ek1 n LYS 68 Ca 0.02 0.26 -0.32 0.00 -2.02 0.00 0.00 58.31 56.24 3ek1 n LYS 68 Cb 0.37 -2.29 0.09 0.00 -0.02 0.00 0.00 35.03 33.18 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 -1.77 2.88 0.20 -0.18 -4.23 -1.26 -4.90 115.64 106.39 3ek1 s THR 69 Ca 0.75 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 61.50 3ek1 s THR 69 Cb -0.35 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 70.83 3ek1 s THR 69 CO 0.48 -0.31 1.83 0.00 -0.54 0.00 0.00 174.62 176.08 3ek1 h ALA 70 N -0.74 0.83 -0.82 3.99 0.00 -1.94 -1.84 119.26 118.74 3ek1 h ALA 70 Ca -0.45 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.62 3ek1 h ALA 70 Cb 1.25 -0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3ek1 h ALA 70 CO 0.50 0.11 0.34 -0.22 0.00 0.00 0.00 179.25 179.98 3ek1 h LYS 71 N 0.73 0.43 -0.15 0.00 3.64 -1.92 0.23 116.57 119.54 3ek1 h LYS 71 Ca 0.27 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3ek1 h LYS 71 Cb 0.07 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3ek1 h LYS 71 CO -0.13 0.28 -0.32 1.49 -2.27 0.00 0.00 179.45 178.51 3ek1 h GLU 72 N 0.44 0.48 -0.72 1.90 4.81 -1.84 -1.95 114.58 117.70 3ek1 h GLU 72 Ca 0.48 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3ek1 h GLU 72 Cb 0.79 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.18 3ek1 h GLU 72 CO -0.45 0.93 0.43 0.00 -0.73 0.00 0.00 179.01 179.18 3ek1 h ARG 73 N 0.10 0.98 -0.51 1.92 3.08 -0.74 -2.55 114.38 116.65 3ek1 h ARG 73 Ca 0.00 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 59.90 3ek1 h ARG 73 Cb 0.92 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 3ek1 h ARG 73 CO 0.07 0.69 0.07 0.00 -1.07 0.00 0.00 179.97 179.73 3ek1 h ALA 74 N 1.48 1.15 -0.24 0.04 0.00 -0.26 -1.19 119.26 120.24 3ek1 h ALA 74 Ca 0.26 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 74 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ek1 h ALA 74 CO -0.05 0.56 -0.10 0.78 0.00 0.00 0.00 179.25 180.44 3ek1 h GLY 75 N 0.97 0.54 0.95 0.00 0.00 -1.17 -0.32 103.07 104.04 3ek1 h GLY 75 Ca 0.16 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ek1 h GLY 75 CO 0.01 0.43 0.35 -2.22 0.00 0.00 0.00 176.54 175.11 3ek1 h ILE 76 N 0.22 1.11 -0.50 2.60 2.04 -1.19 -1.52 117.51 120.27 3ek1 h ILE 76 Ca 0.05 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 3ek1 h ILE 76 Cb 0.60 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3ek1 h ILE 76 CO 0.03 0.13 0.12 -0.07 0.00 0.00 0.00 178.15 178.36 3ek1 h LEU 77 N 0.70 0.75 -1.70 1.44 3.38 -1.10 -1.59 115.31 117.19 3ek1 h LEU 77 Ca 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ek1 h LEU 77 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ek1 h LEU 77 CO -0.07 0.79 0.08 -0.09 0.09 0.00 0.00 178.44 179.25 3ek1 h ARG 78 N 0.68 0.27 -0.37 1.13 2.43 -0.76 0.52 114.38 118.28 3ek1 h ARG 78 Ca 0.16 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 3ek1 h ARG 78 Cb 0.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3ek1 h ARG 78 CO 0.00 0.23 -0.24 0.87 -1.51 0.00 0.00 179.97 179.32 3ek1 h LYS 79 N 0.27 0.75 -0.25 0.20 1.57 -0.76 0.10 116.57 118.46 3ek1 h LYS 79 Ca 0.07 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3ek1 h LYS 79 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3ek1 h LYS 79 CO -0.01 0.92 0.08 2.35 -0.57 0.00 0.00 179.45 182.22 3ek1 h TRP 80 N 0.65 0.39 -0.34 -1.35 7.01 -0.22 -0.75 115.95 121.34 3ek1 h TRP 80 Ca 0.09 -0.04 0.06 0.00 2.11 0.00 0.00 58.89 61.10 3ek1 h TRP 80 Cb 0.75 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 3ek1 h TRP 80 CO 0.04 0.44 0.03 0.35 -2.79 0.00 0.00 178.44 176.51 3ek1 h PHE 81 N 0.23 0.05 -0.90 2.65 3.57 -0.86 -1.35 116.94 120.33 3ek1 h PHE 81 Ca 0.08 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 3ek1 h PHE 81 Cb 0.23 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3ek1 h PHE 81 CO 0.00 -0.02 0.49 -0.44 -2.23 0.00 0.00 178.31 176.11 3ek1 h ASP 82 N 0.14 1.12 0.08 0.41 3.32 -0.54 -1.81 116.42 119.13 3ek1 h ASP 82 Ca 0.16 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 3ek1 h ASP 82 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3ek1 h ASP 82 CO -0.24 0.89 -0.48 -0.07 -1.72 0.00 0.00 179.24 177.62 3ek1 h LEU 83 N 1.25 0.51 -0.20 1.55 3.38 -0.74 -0.43 115.31 120.63 3ek1 h LEU 83 Ca 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3ek1 h LEU 83 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ek1 h LEU 83 CO -0.05 0.91 0.02 0.40 0.09 0.00 0.00 178.44 179.80 3ek1 h ILE 84 N 0.37 1.24 -0.59 1.22 2.04 -0.78 -1.86 117.51 119.16 3ek1 h ILE 84 Ca 0.02 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3ek1 h ILE 84 Cb 0.98 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 3ek1 h ILE 84 CO 0.09 0.25 0.37 0.40 0.00 0.00 0.00 178.15 179.25 3ek1 h ILE 85 N 0.12 1.10 -0.41 -0.67 1.08 -1.15 -0.49 117.51 117.09 3ek1 h ILE 85 Ca 0.06 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 3ek1 h ILE 85 Cb 0.36 0.30 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 3ek1 h ILE 85 CO 0.01 0.13 0.18 0.00 -0.69 0.00 0.00 178.15 177.78 3ek1 h ALA 86 N 1.24 1.55 -0.66 1.87 0.00 -0.91 -2.76 119.26 119.59 3ek1 h ALA 86 Ca 0.23 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 86 Cb -0.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 3ek1 h ALA 86 CO -0.08 0.36 0.13 0.09 0.00 0.00 0.00 179.25 179.75 3ek1 n ASN 87 N -4.39 5.36 -0.20 0.00 3.02 -0.71 -4.70 115.26 113.64 3ek1 n ASN 87 Ca 0.03 -3.06 -0.01 0.00 -0.03 0.00 0.00 54.58 51.51 3ek1 n ASN 87 Cb 0.13 -0.72 0.10 0.00 -0.61 0.00 0.00 39.78 38.68 3ek1 n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ek1 h ALA 88 N 3.42 0.77 -0.13 5.41 0.00 -0.81 -2.16 119.26 125.76 3ek1 h ALA 88 Ca 0.13 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3ek1 h ALA 88 Cb 2.16 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 3ek1 h ALA 88 CO 0.62 -0.16 0.05 -0.44 0.00 0.00 0.00 179.25 179.31 3ek1 h ASP 89 N 0.44 0.05 -0.40 0.00 3.32 -1.86 0.27 116.42 118.24 3ek1 h ASP 89 Ca 0.29 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 3ek1 h ASP 89 Cb 0.32 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3ek1 h ASP 89 CO -0.27 0.05 0.00 0.44 -1.72 0.00 0.00 179.24 177.74 3ek1 h ASP 90 N 0.11 0.75 -0.23 6.45 5.19 -1.88 0.77 116.42 127.58 3ek1 h ASP 90 Ca 0.06 -0.18 -0.14 0.00 -0.62 0.00 0.00 57.03 56.15 3ek1 h ASP 90 Cb 0.03 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 3ek1 h ASP 90 CO -0.06 0.82 -0.34 0.40 -3.12 0.00 0.00 179.24 176.94 3ek1 h ILE 91 N 0.73 1.28 -0.51 0.35 2.04 -1.01 -1.47 117.51 118.92 3ek1 h ILE 91 Ca 0.14 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 3ek1 h ILE 91 Cb 0.44 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3ek1 h ILE 91 CO 0.02 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.93 3ek1 h ALA 92 N 0.98 0.65 -0.34 1.87 0.00 -0.06 -0.87 119.26 121.50 3ek1 h ALA 92 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 92 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3ek1 h ALA 92 CO 0.08 0.18 0.17 1.25 0.00 0.00 0.00 179.25 180.92 3ek1 h LEU 93 N 0.68 0.43 -0.73 0.00 5.85 -0.59 -0.32 115.31 120.63 3ek1 h LEU 93 Ca 0.18 -0.11 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3ek1 h LEU 93 Cb 0.05 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 3ek1 h LEU 93 CO -0.03 0.43 0.36 0.40 -0.34 0.00 0.00 178.44 179.26 3ek1 h ILE 94 N 0.41 0.82 -0.01 4.05 2.04 -1.10 -1.67 117.51 122.05 3ek1 h ILE 94 Ca 0.12 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3ek1 h ILE 94 Cb 0.10 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3ek1 h ILE 94 CO -0.02 0.11 -0.00 -0.03 0.00 0.00 0.00 178.15 178.21 3ek1 h MET 95 N 0.60 0.02 -0.94 2.37 4.05 -0.36 -2.34 114.93 118.32 3ek1 h MET 95 Ca 0.37 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.88 3ek1 h MET 95 Cb 0.41 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.13 3ek1 h MET 95 CO -0.29 0.42 0.58 1.15 0.23 0.00 0.00 176.91 179.01 3ek1 h THR 96 N -0.38 0.95 -0.00 -0.77 2.02 -0.92 -0.82 112.91 112.99 3ek1 h THR 96 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3ek1 h THR 96 Cb 0.42 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3ek1 h THR 96 CO 0.00 0.18 0.00 0.28 0.37 0.00 0.00 175.52 176.35 3ek1 h SER 97 N 0.97 0.00 0.59 4.18 0.02 -1.14 -0.46 113.55 117.71 3ek1 h SER 97 Ca 0.45 -0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 61.10 3ek1 h SER 97 Cb 0.38 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3ek1 h SER 97 CO -0.24 0.03 -1.31 1.05 -1.14 0.00 0.00 176.83 175.22 3ek1 h GLU 98 N -0.02 0.27 0.00 3.45 4.11 -1.06 -3.35 114.58 117.99 3ek1 h GLU 98 Ca 0.00 -0.47 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3ek1 h GLU 98 Cb 0.02 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ek1 h GLU 98 CO -0.00 1.20 -0.95 0.00 0.07 0.00 0.00 179.01 179.33 3ek1 n GLN 99 N -3.52 2.05 0.00 1.06 -0.00 -0.34 -4.53 117.38 112.10 3ek1 n GLN 99 Ca -0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.85 3ek1 n GLN 99 Cb 1.03 -1.13 0.00 0.00 -0.00 0.00 0.00 30.24 30.14 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 1.52 0.83 3.77 2.61 0.00 -0.18 -4.69 105.19 109.05 3ek1 n GLY 100 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.75 3.01 0.71 1.61 -2.85 -1.26 -4.16 119.74 116.06 3ek1 s LYS 101 Ca 0.00 1.45 -0.16 0.00 -1.00 0.00 0.00 55.97 56.26 3ek1 s LYS 101 Cb 0.00 -1.97 0.03 0.00 -2.06 0.00 0.00 37.83 33.82 3ek1 s LYS 101 CO 0.00 -1.09 1.25 -2.14 0.10 0.00 0.00 175.35 173.47 3ek1 s PRO 102 N -3.83 2.17 0.31 1.78 0.02 -1.26 -4.35 135.00 129.83 3ek1 s PRO 102 Ca 0.69 1.91 0.07 0.00 0.02 0.00 0.00 61.00 63.68 3ek1 s PRO 102 Cb -0.21 -1.82 0.77 0.00 0.02 0.00 0.00 34.50 33.26 3ek1 s PRO 102 CO 0.36 -1.85 1.76 -0.07 -0.33 0.00 0.00 177.00 176.87 3ek1 h LEU 103 N -0.08 0.71 -0.61 -5.54 3.38 -1.79 0.56 115.31 111.94 3ek1 h LEU 103 Ca -0.49 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3ek1 h LEU 103 Cb 1.32 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 3ek1 h LEU 103 CO 0.50 0.20 0.23 0.00 0.09 0.00 0.00 178.44 179.47 3ek1 h ALA 104 N 1.67 0.80 -0.36 1.53 0.00 -1.90 0.15 119.26 121.16 3ek1 h ALA 104 Ca 0.59 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 3ek1 h ALA 104 Cb 1.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3ek1 h ALA 104 CO -0.42 0.43 -0.04 0.93 0.00 0.00 0.00 179.25 180.14 3ek1 h GLU 105 N 0.86 0.67 -0.63 0.00 5.08 -1.60 -2.06 114.58 116.89 3ek1 h GLU 105 Ca 0.20 -0.24 0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3ek1 h GLU 105 Cb 0.23 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 3ek1 h GLU 105 CO -0.01 0.80 0.25 0.00 -1.00 0.00 0.00 179.01 179.05 3ek1 h ALA 106 N 0.84 0.83 -0.22 3.43 0.00 -0.74 0.16 119.26 123.56 3ek1 h ALA 106 Ca 0.10 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 106 Cb 0.53 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ek1 h ALA 106 CO 0.03 -0.17 -0.50 -0.09 0.00 0.00 0.00 179.25 178.52 3ek1 h ARG 107 N 0.43 0.59 -0.39 0.00 2.43 -0.90 -1.15 114.38 115.41 3ek1 h ARG 107 Ca 0.32 -0.35 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3ek1 h ARG 107 Cb 0.39 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3ek1 h ARG 107 CO -0.31 0.95 0.19 0.78 -1.51 0.00 0.00 179.97 180.08 3ek1 h GLY 108 N 1.03 0.52 1.04 2.80 0.00 -0.64 -2.21 103.07 105.61 3ek1 h GLY 108 Ca 0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3ek1 h GLY 108 CO 0.10 0.10 0.22 -2.09 0.00 0.00 0.00 176.54 174.87 3ek1 h GLU 109 N 0.40 1.08 -0.62 4.80 4.81 -0.31 -0.45 114.58 124.29 3ek1 h GLU 109 Ca 0.16 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ek1 h GLU 109 Cb 0.07 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 3ek1 h GLU 109 CO -0.11 0.93 0.38 0.28 -0.73 0.00 0.00 179.01 179.76 3ek1 h VAL 110 N 1.02 1.17 -0.40 0.32 2.07 -1.03 0.56 116.25 119.97 3ek1 h VAL 110 Ca 0.23 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3ek1 h VAL 110 Cb 0.30 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3ek1 h VAL 110 CO -0.01 0.17 0.18 -0.07 0.02 0.00 0.00 177.57 177.86 3ek1 h LEU 111 N 0.83 0.53 0.09 2.57 4.07 -1.14 0.52 115.31 122.78 3ek1 h LEU 111 Ca 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.04 3ek1 h LEU 111 Cb -0.05 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 3ek1 h LEU 111 CO -0.04 0.53 -0.08 0.22 -1.08 0.00 0.00 178.44 177.98 3ek1 h TYR 112 N 0.50 -0.21 -0.71 1.13 3.20 -0.66 -0.90 116.97 119.31 3ek1 h TYR 112 Ca 0.13 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.13 3ek1 h TYR 112 Cb 0.15 0.08 -0.09 0.00 1.54 0.00 0.00 36.73 38.41 3ek1 h TYR 112 CO -0.01 -0.13 0.27 0.00 -1.64 0.00 0.00 178.16 176.66 3ek1 h ALA 113 N 0.71 0.97 -0.19 1.82 0.00 0.26 -0.39 119.26 122.45 3ek1 h ALA 113 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 113 Cb 0.18 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3ek1 h ALA 113 CO -0.02 -0.21 -0.27 0.00 0.00 0.00 0.00 179.25 178.75 3ek1 h ALA 114 N 1.51 1.19 0.00 0.00 0.00 -0.53 -2.72 119.26 118.71 3ek1 h ALA 114 Ca 0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 114 Cb 0.55 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ek1 h ALA 114 CO -0.38 0.53 -0.03 0.66 0.00 0.00 0.00 179.25 180.02 3ek1 h SER 115 N 0.32 0.00 0.22 0.00 4.64 0.37 -0.63 113.55 118.46 3ek1 h SER 115 Ca 0.05 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 3ek1 h SER 115 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3ek1 h SER 115 CO 0.05 0.03 -0.51 -0.26 -0.87 0.00 0.00 176.83 175.27 3ek1 h PHE 116 N 0.00 0.41 -0.04 4.77 0.04 -1.45 -1.41 116.94 119.27 3ek1 h PHE 116 Ca -0.00 -0.14 -0.23 0.00 2.80 0.00 0.00 57.97 60.40 3ek1 h PHE 116 Cb 0.08 -0.08 0.02 0.00 2.20 0.00 0.00 35.95 38.17 3ek1 h PHE 116 CO 0.00 0.78 -0.89 0.82 -0.60 0.00 0.00 178.31 178.42 3ek1 h ILE 117 N 0.26 1.31 -0.04 -0.55 2.04 -1.24 -1.39 117.51 117.91 3ek1 h ILE 117 Ca 0.01 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.73 3ek1 h ILE 117 Cb 1.00 2.33 -0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3ek1 h ILE 117 CO 0.08 0.66 0.03 -0.08 0.00 0.00 0.00 178.15 178.84 3ek1 h GLU 118 N 0.32 0.06 -0.12 2.37 4.81 -1.41 -1.51 114.58 119.10 3ek1 h GLU 118 Ca -0.10 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3ek1 h GLU 118 Cb 1.54 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.89 3ek1 h GLU 118 CO 0.18 0.06 -0.05 2.35 -0.73 0.00 0.00 179.01 180.82 3ek1 h TRP 119 N 0.04 -0.11 0.00 0.92 2.91 -1.11 -2.48 115.95 116.11 3ek1 h TRP 119 Ca 0.02 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 3ek1 h TRP 119 Cb 0.02 0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 3ek1 h TRP 119 CO -0.07 -0.08 -0.20 0.74 -1.03 0.00 0.00 178.44 177.80 3ek1 h PHE 120 N -0.03 0.00 -0.61 2.65 0.04 -1.27 0.20 116.94 117.92 3ek1 h PHE 120 Ca 0.06 0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.89 3ek1 h PHE 120 Cb 0.13 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 3ek1 h PHE 120 CO -0.18 0.20 0.32 0.00 -0.60 0.00 0.00 178.31 178.04 3ek1 h ALA 121 N 1.80 0.80 -0.14 2.45 0.00 -1.01 0.15 119.26 123.32 3ek1 h ALA 121 Ca -0.00 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3ek1 h ALA 121 Cb 0.93 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ek1 h ALA 121 CO 0.03 -0.03 -0.69 0.93 0.00 0.00 0.00 179.25 179.49 3ek1 h GLU 122 N 0.59 0.57 -0.20 0.00 5.08 -0.99 -3.17 114.58 116.47 3ek1 h GLU 122 Ca 0.28 -0.44 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 3ek1 h GLU 122 Cb 0.19 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3ek1 h GLU 122 CO -0.19 1.06 -0.15 0.93 -1.00 0.00 0.00 179.01 179.66 3ek1 h GLU 123 N 0.41 0.33 -1.05 2.33 4.39 -0.52 -2.99 114.58 117.48 3ek1 h GLU 123 Ca -0.03 -0.09 0.28 0.00 0.34 0.00 0.00 59.36 59.86 3ek1 h GLU 123 Cb 1.28 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 29.77 3ek1 h GLU 123 CO 0.13 0.48 0.64 0.00 -1.16 0.00 0.00 179.01 179.11 3ek1 h ALA 124 N 1.54 2.08 -0.00 3.43 0.00 -0.68 0.19 119.26 125.81 3ek1 h ALA 124 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 124 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ek1 h ALA 124 CO 0.03 -0.55 -0.02 1.63 0.00 0.00 0.00 179.25 180.33 3ek1 n LYS 125 N -4.78 0.59 -0.60 0.00 5.02 -1.13 -3.61 118.16 113.65 3ek1 n LYS 125 Ca 0.28 -0.06 0.06 0.00 -2.02 0.00 0.00 58.31 56.57 3ek1 n LYS 125 Cb 0.89 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 34.55 3ek1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ek1 n ARG 126 N -1.15 1.16 -2.38 1.97 1.74 0.63 -4.90 116.66 113.73 3ek1 n ARG 126 Ca 0.16 -2.77 -0.36 0.00 -0.77 0.00 0.00 57.85 54.11 3ek1 n ARG 126 Cb 0.23 -1.27 -0.04 0.00 -1.02 0.00 0.00 32.46 30.36 3ek1 n ARG 126 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ek1 s VAL 127 N -2.43 3.76 0.07 1.55 1.01 -1.11 -4.97 120.40 118.29 3ek1 s VAL 127 Ca 0.33 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3ek1 s VAL 127 Cb 0.32 -4.70 -0.07 0.00 0.00 0.00 0.00 36.38 31.94 3ek1 s VAL 127 CO -0.06 -1.59 0.55 -0.31 0.00 0.00 0.00 175.10 173.70 3ek1 s TYR 128 N 6.81 3.78 0.16 5.22 2.02 -1.26 -4.91 117.35 129.17 3ek1 s TYR 128 Ca 0.55 1.22 0.02 0.00 -0.37 0.00 0.00 57.07 58.50 3ek1 s TYR 128 Cb -0.02 -2.46 0.02 0.00 -0.40 0.00 0.00 41.96 39.10 3ek1 s TYR 128 CO -0.05 0.58 0.20 0.41 -1.57 0.00 0.00 175.55 175.11 3ek1 n GLY 129 N 1.62 2.13 3.31 0.71 0.00 -1.26 -4.82 105.19 106.88 3ek1 n GLY 129 Ca -0.10 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.98 2.36 0.03 1.61 1.01 -0.34 -4.97 116.67 114.39 3ek1 s ASP 130 Ca 0.15 -0.95 0.05 0.00 0.71 0.00 0.00 52.55 52.52 3ek1 s ASP 130 Cb -0.01 -0.11 -0.03 0.00 1.01 0.00 0.00 42.92 43.78 3ek1 s ASP 130 CO 0.10 -0.17 -0.11 0.42 0.21 0.00 0.00 175.17 175.62 3ek1 s THR 131 N -2.70 3.30 -0.02 -1.27 -4.23 -1.26 -0.85 115.64 108.61 3ek1 s THR 131 Ca 0.18 -0.99 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 3ek1 s THR 131 Cb -0.02 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3ek1 s THR 131 CO 0.05 0.33 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.76 3ek1 s ILE 132 N -1.00 0.68 0.28 2.99 1.01 -0.65 -5.02 121.20 119.48 3ek1 s ILE 132 Ca 0.17 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 3ek1 s ILE 132 Cb -0.11 -0.61 -0.11 0.00 0.01 0.00 0.00 42.46 41.64 3ek1 s ILE 132 CO 0.08 0.22 1.59 -2.84 0.00 0.00 0.00 174.94 173.98 3ek1 s PRO 133 N 0.25 4.14 -0.02 2.79 0.02 -1.26 -3.79 135.00 137.13 3ek1 s PRO 133 Ca -0.04 2.55 -0.22 0.00 0.02 0.00 0.00 61.00 63.31 3ek1 s PRO 133 Cb -0.08 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.35 3ek1 s PRO 133 CO 0.00 -0.62 0.66 0.00 -0.33 0.00 0.00 177.00 176.71 3ek1 s ALA 134 N 0.09 3.42 0.59 -1.55 0.00 -1.26 -4.96 121.76 118.09 3ek1 s ALA 134 Ca 0.64 0.10 0.35 0.00 0.00 0.00 0.00 51.96 53.05 3ek1 s ALA 134 Cb -0.47 -2.85 1.99 0.00 0.00 0.00 0.00 23.12 21.79 3ek1 s ALA 134 CO 0.46 0.06 2.28 -1.35 0.00 0.00 0.00 175.76 177.21 3ek1 h PRO 135 N 5.99 0.00 -6.15 0.00 0.11 -1.93 -3.42 132.00 126.60 3ek1 h PRO 135 Ca -0.44 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 3ek1 h PRO 135 Cb 1.20 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 3ek1 h PRO 135 CO 0.72 0.01 -0.68 -0.65 -0.21 0.00 0.00 178.00 177.19 3ek1 s GLN 136 N -4.42 2.74 0.66 1.05 -1.52 -1.26 -5.12 119.66 111.80 3ek1 s GLN 136 Ca -0.05 -0.57 -0.15 0.00 -1.95 0.00 0.00 55.36 52.64 3ek1 s GLN 136 Cb 0.14 -2.61 0.00 0.00 -0.22 0.00 0.00 33.01 30.33 3ek1 s GLN 136 CO 0.51 0.65 1.13 -0.80 -0.25 0.00 0.00 175.29 176.53 3ek1 s ASN 137 N -1.02 4.96 -0.01 5.90 0.02 -1.26 -3.47 114.94 120.05 3ek1 s ASN 137 Ca 0.14 2.10 0.00 0.00 -1.02 0.00 0.00 52.86 54.08 3ek1 s ASN 137 Cb -0.11 -2.56 0.00 0.00 0.02 0.00 0.00 41.25 38.60 3ek1 s ASN 137 CO 0.04 -1.74 0.00 0.61 0.02 0.00 0.00 177.10 176.03 3ek1 n GLY 138 N -0.24 0.48 3.09 0.66 0.00 -1.26 -5.03 105.19 102.88 3ek1 n GLY 138 Ca 0.11 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3ek1 n GLY 138 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ek1 s GLN 139 N -0.29 0.70 -0.01 1.61 -0.21 -1.23 -0.89 119.66 119.35 3ek1 s GLN 139 Ca 0.00 -0.67 0.05 0.00 0.02 0.00 0.00 55.36 54.76 3ek1 s GLN 139 Cb 0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 33.01 33.37 3ek1 s GLN 139 CO 0.00 0.15 -0.16 1.03 -2.12 0.00 0.00 175.29 174.19 3ek1 s ARG 140 N -1.13 1.25 -0.16 2.91 1.81 0.77 -4.60 118.95 119.80 3ek1 s ARG 140 Ca -0.02 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 53.40 3ek1 s ARG 140 Cb -0.08 -1.22 -0.01 0.00 -0.45 0.00 0.00 34.95 33.20 3ek1 s ARG 140 CO 0.01 0.33 -0.13 -0.51 -0.68 0.00 0.00 175.30 174.32 3ek1 s LEU 141 N -0.43 2.62 0.13 2.53 1.02 -1.25 -1.13 118.68 122.17 3ek1 s LEU 141 Ca 0.06 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.87 3ek1 s LEU 141 Cb -0.06 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.50 3ek1 s LEU 141 CO -0.00 0.09 -0.19 -0.89 0.02 0.00 0.00 176.35 175.38 3ek1 s THR 142 N 0.80 1.71 -0.07 5.49 2.01 0.77 -1.64 115.64 124.71 3ek1 s THR 142 Ca -0.05 -1.72 0.01 0.00 0.31 0.00 0.00 61.69 60.24 3ek1 s THR 142 Cb -0.15 -1.67 0.02 0.00 0.01 0.00 0.00 72.50 70.71 3ek1 s THR 142 CO 0.01 -0.21 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.98 3ek1 s VAL 143 N -1.64 0.73 0.25 3.82 1.01 -0.03 0.50 120.40 125.04 3ek1 s VAL 143 Ca 0.11 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3ek1 s VAL 143 Cb -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 3ek1 s VAL 143 CO 0.05 0.29 -0.09 0.27 0.00 0.00 0.00 175.10 175.62 3ek1 s ILE 144 N 1.24 1.67 -0.10 2.22 -4.36 -0.42 -1.20 121.20 120.25 3ek1 s ILE 144 Ca -0.05 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.19 3ek1 s ILE 144 Cb -0.14 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.31 3ek1 s ILE 144 CO -0.02 -0.42 -0.15 -0.13 0.24 0.00 0.00 174.94 174.46 3ek1 s ARG 145 N -3.70 2.14 0.17 0.37 0.52 -1.26 -0.88 118.95 116.31 3ek1 s ARG 145 Ca 0.27 -0.54 0.06 0.00 -0.52 0.00 0.00 55.73 55.00 3ek1 s ARG 145 Cb 0.02 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 3ek1 s ARG 145 CO 0.10 -0.04 -0.13 -0.65 0.02 0.00 0.00 175.30 174.59 3ek1 s GLN 146 N 0.93 1.17 0.32 3.54 -0.21 -0.79 -4.92 119.66 119.70 3ek1 s GLN 146 Ca -0.08 -1.46 -0.29 0.00 0.02 0.00 0.00 55.36 53.55 3ek1 s GLN 146 Cb -0.15 -0.93 -0.11 0.00 1.00 0.00 0.00 33.01 32.82 3ek1 s GLN 146 CO -0.00 0.15 1.51 -1.25 -2.12 0.00 0.00 175.29 173.58 3ek1 s PRO 147 N -3.40 4.16 0.42 2.91 0.04 -1.26 0.59 135.00 138.45 3ek1 s PRO 147 Ca 0.17 2.51 0.11 0.00 0.04 0.00 0.00 61.00 63.83 3ek1 s PRO 147 Cb -0.01 -3.02 0.89 0.00 0.04 0.00 0.00 34.50 32.40 3ek1 s PRO 147 CO 0.04 -0.53 1.98 0.28 0.04 0.00 0.00 177.00 178.81 3ek1 h VAL 148 N 3.23 1.14 0.00 -0.36 2.07 -1.51 -3.42 116.25 117.40 3ek1 h VAL 148 Ca -0.48 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3ek1 h VAL 148 Cb 1.23 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3ek1 h VAL 148 CO 0.72 0.18 0.00 0.61 0.02 0.00 0.00 177.57 179.11 3ek1 n GLY 149 N -1.07 0.16 3.70 2.17 0.00 -1.26 -4.86 105.19 104.03 3ek1 n GLY 149 Ca -0.01 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 3ek1 n GLY 149 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 150 N 0.00 4.92 0.22 1.61 1.01 -1.26 -2.70 120.40 124.20 3ek1 s VAL 150 Ca 0.00 1.76 0.08 0.00 0.00 0.00 0.00 61.98 63.82 3ek1 s VAL 150 Cb 0.00 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3ek1 s VAL 150 CO 0.00 0.15 -0.15 0.42 0.00 0.00 0.00 175.10 175.52 3ek1 s THR 151 N 1.27 1.85 -0.01 3.92 -4.23 -0.48 -0.69 115.64 117.27 3ek1 s THR 151 Ca 0.44 -2.24 0.06 0.00 -1.18 0.00 0.00 61.69 58.77 3ek1 s THR 151 Cb -0.19 -2.08 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 3ek1 s THR 151 CO 0.20 -0.57 -0.19 0.00 -0.54 0.00 0.00 174.62 173.53 3ek1 s ALA 152 N -2.90 1.59 -0.05 3.99 0.00 0.06 -1.24 121.76 123.22 3ek1 s ALA 152 Ca 0.24 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.39 3ek1 s ALA 152 Cb -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3ek1 s ALA 152 CO 0.08 0.39 -0.15 0.00 0.00 0.00 0.00 175.76 176.08 3ek1 s ALA 153 N -0.47 1.40 -0.17 0.00 0.00 0.42 -0.47 121.76 122.47 3ek1 s ALA 153 Ca 0.07 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3ek1 s ALA 153 Cb -0.07 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3ek1 s ALA 153 CO -0.01 0.22 -0.20 0.42 0.00 0.00 0.00 175.76 176.20 3ek1 s ILE 154 N 0.23 2.01 0.13 0.00 1.01 -0.50 -0.88 121.20 123.19 3ek1 s ILE 154 Ca -0.07 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.75 3ek1 s ILE 154 Cb -0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3ek1 s ILE 154 CO 0.03 0.53 -0.22 0.42 0.00 0.00 0.00 174.94 175.70 3ek1 s THR 155 N 1.23 1.92 0.71 2.92 -4.23 -0.90 -2.29 115.64 115.00 3ek1 s THR 155 Ca 0.03 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.84 3ek1 s THR 155 Cb -0.13 -1.75 0.12 0.00 1.34 0.00 0.00 72.50 72.07 3ek1 s THR 155 CO -0.11 -0.06 0.98 -2.16 -0.54 0.00 0.00 174.62 172.73 3ek1 s PRO 156 N -2.13 1.74 0.25 3.99 0.04 -1.23 -1.92 135.00 135.74 3ek1 s PRO 156 Ca 0.11 -1.06 0.22 0.00 0.04 0.00 0.00 61.00 60.30 3ek1 s PRO 156 Cb -0.09 -2.33 0.08 0.00 0.04 0.00 0.00 34.50 32.19 3ek1 s PRO 156 CO 0.05 -1.40 1.19 0.11 0.04 0.00 0.00 177.00 176.99 3ek1 h TRP 157 N -0.50 0.00 0.00 0.56 5.08 -1.93 -3.39 115.95 115.77 3ek1 h TRP 157 Ca -0.37 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.51 3ek1 h TRP 157 Cb 1.27 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.42 3ek1 h TRP 157 CO -0.15 0.09 -0.43 -2.95 -1.28 0.00 0.00 178.44 173.72 3ek1 h ASN 158 N 0.00 0.00 -3.03 0.11 -1.07 -1.96 -3.33 115.58 106.30 3ek1 h ASN 158 Ca -0.02 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.75 3ek1 h ASN 158 Cb 1.09 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 36.94 3ek1 h ASN 158 CO 0.01 0.43 -0.79 -0.36 0.07 0.00 0.00 177.43 176.79 3ek1 s PHE 159 N -3.36 1.79 -0.66 4.14 0.08 -1.26 -4.98 117.98 113.72 3ek1 s PHE 159 Ca 0.01 -2.40 0.25 0.00 0.12 0.00 0.00 56.93 54.91 3ek1 s PHE 159 Cb 0.10 -1.62 0.90 0.00 -0.57 0.00 0.00 43.02 41.83 3ek1 s PHE 159 CO 0.71 -0.77 1.74 -2.30 -0.10 0.00 0.00 175.22 174.50 3ek1 n PRO 160 N 3.25 0.20 -0.12 0.24 -0.02 -1.25 -2.63 135.00 134.66 3ek1 n PRO 160 Ca 0.16 0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 61.68 3ek1 n PRO 160 Cb 0.38 -1.79 -0.09 0.00 -0.02 0.00 0.00 33.50 31.98 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 n ALA 161 N -1.74 1.47 0.12 3.55 0.00 -1.26 -4.24 120.51 118.41 3ek1 n ALA 161 Ca 0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 53.44 52.51 3ek1 n ALA 161 Cb 0.32 0.16 0.12 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.72 0.86 0.00 0.00 0.00 -1.82 -2.62 119.26 114.96 3ek1 h ALA 162 Ca -0.59 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 53.66 3ek1 h ALA 162 Cb 1.57 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3ek1 h ALA 162 CO -0.32 0.85 -0.22 0.52 0.00 0.00 0.00 179.25 180.08 3ek1 h MET 163 N 0.00 0.00 0.02 0.00 2.86 -1.78 -0.25 114.93 115.78 3ek1 h MET 163 Ca -0.01 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3ek1 h MET 163 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 3ek1 h MET 163 CO 0.09 0.22 -0.15 0.82 1.06 0.00 0.00 176.91 178.94 3ek1 h ILE 164 N 0.00 1.72 -0.42 -1.22 2.04 -1.73 -3.31 117.51 114.59 3ek1 h ILE 164 Ca -0.00 -2.30 -0.07 0.00 1.00 0.00 0.00 64.86 63.48 3ek1 h ILE 164 Cb 0.65 3.27 -0.02 0.00 -0.74 0.00 0.00 36.82 39.98 3ek1 h ILE 164 CO 0.03 0.61 -0.04 0.71 0.00 0.00 0.00 178.15 179.45 3ek1 h THR 165 N -0.84 1.24 -0.10 -0.27 1.35 -1.23 0.13 112.91 113.19 3ek1 h THR 165 Ca -0.03 -1.02 0.03 0.00 -0.55 0.00 0.00 66.41 64.85 3ek1 h THR 165 Cb 1.09 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3ek1 h THR 165 CO 0.03 0.35 0.18 0.03 -0.25 0.00 0.00 175.52 175.86 3ek1 h ARG 166 N 0.66 0.00 0.00 4.72 3.08 -1.18 -1.20 114.38 120.46 3ek1 h ARG 166 Ca 0.13 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.85 3ek1 h ARG 166 Cb 0.47 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 3ek1 h ARG 166 CO 0.02 0.00 -2.24 1.63 -1.07 0.00 0.00 179.97 178.31 3ek1 n LYS 167 N -3.48 0.54 0.08 0.04 5.02 -0.64 -4.55 118.16 115.18 3ek1 n LYS 167 Ca -0.00 0.13 -0.10 0.00 -2.02 0.00 0.00 58.31 56.32 3ek1 n LYS 167 Cb 0.27 -1.43 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.06 0.27 -0.16 7.82 0.00 -0.75 -2.91 119.26 123.47 3ek1 h ALA 168 Ca -0.49 -0.88 -0.01 0.00 0.00 0.00 0.00 54.91 53.52 3ek1 h ALA 168 Cb 1.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 3ek1 h ALA 168 CO -0.10 1.12 0.05 0.00 0.00 0.00 0.00 179.25 180.32 3ek1 h ALA 169 N 0.84 0.21 -0.22 0.00 0.00 -1.43 0.36 119.26 119.01 3ek1 h ALA 169 Ca -0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 3ek1 h ALA 169 Cb 1.82 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3ek1 h ALA 169 CO 0.16 -0.17 -0.57 -1.00 0.00 0.00 0.00 179.25 177.67 3ek1 h PRO 170 N 0.08 0.71 0.03 0.00 0.13 -1.76 -1.03 132.00 130.15 3ek1 h PRO 170 Ca 0.05 -0.46 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 3ek1 h PRO 170 Cb 0.23 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.37 3ek1 h PRO 170 CO -0.00 1.08 -0.27 0.00 -0.23 0.00 0.00 178.00 178.58 3ek1 h ALA 171 N 0.82 -0.39 -0.46 -0.56 0.00 -1.44 -0.11 119.26 117.12 3ek1 h ALA 171 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3ek1 h ALA 171 Cb 1.15 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3ek1 h ALA 171 CO 0.12 -0.78 -0.26 -0.07 0.00 0.00 0.00 179.25 178.25 3ek1 h LEU 172 N -0.43 1.02 -0.98 0.00 4.07 -0.94 -0.18 115.31 117.87 3ek1 h LEU 172 Ca 0.06 -0.41 0.07 0.00 0.08 0.00 0.00 57.88 57.68 3ek1 h LEU 172 Cb 0.50 -0.28 -0.07 0.00 1.08 0.00 0.00 40.66 41.89 3ek1 h LEU 172 CO -0.22 1.21 0.63 0.00 -1.08 0.00 0.00 178.44 178.98 3ek1 h ALA 173 N 0.85 1.38 0.00 1.53 0.00 -0.95 -2.03 119.26 120.04 3ek1 h ALA 173 Ca 0.10 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3ek1 h ALA 173 Cb 0.85 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ek1 h ALA 173 CO 0.08 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.49 3ek1 h ALA 174 N 1.46 1.11 0.00 0.00 0.00 -0.68 -3.43 119.26 117.71 3ek1 h ALA 174 Ca 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ek1 h ALA 174 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ek1 h ALA 174 CO -0.19 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3ek1 n GLY 175 N -0.11 1.24 3.89 0.00 0.00 -0.76 -4.13 105.19 105.32 3ek1 n GLY 175 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ek1 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s THR 177 N -3.24 3.69 -0.14 0.00 -4.23 -1.10 -3.97 115.64 106.65 3ek1 s THR 177 Ca 0.56 -1.38 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 3ek1 s THR 177 Cb -0.11 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3ek1 s THR 177 CO 0.51 -0.21 0.35 -0.32 -0.54 0.00 0.00 174.62 174.41 3ek1 s MET 178 N -3.97 0.38 -0.24 3.99 0.00 -0.26 -1.39 119.30 117.81 3ek1 s MET 178 Ca 0.39 0.57 -0.06 0.00 0.00 0.00 0.00 55.69 56.60 3ek1 s MET 178 Cb -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 34.83 34.85 3ek1 s MET 178 CO 0.26 -0.09 0.02 0.42 0.00 0.00 0.00 175.02 175.63 3ek1 s ILE 179 N 0.65 3.82 -0.19 10.11 1.01 -0.37 -1.82 121.20 134.41 3ek1 s ILE 179 Ca -0.04 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 3ek1 s ILE 179 Cb -0.05 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3ek1 s ILE 179 CO -0.04 0.33 0.05 -0.69 0.00 0.00 0.00 174.94 174.59 3ek1 s VAL 180 N 1.53 4.54 -0.34 2.92 1.01 0.93 -0.44 120.40 130.55 3ek1 s VAL 180 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3ek1 s VAL 180 Cb -0.15 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3ek1 s VAL 180 CO 0.00 0.44 0.12 -0.60 0.00 0.00 0.00 175.10 175.07 3ek1 s ARG 181 N 0.64 2.74 0.59 2.72 3.52 -0.06 -1.33 118.95 127.76 3ek1 s ARG 181 Ca 0.02 -1.11 -0.05 0.00 -0.13 0.00 0.00 55.73 54.46 3ek1 s ARG 181 Cb -0.13 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.76 3ek1 s ARG 181 CO 0.02 -0.64 0.89 -1.25 -0.81 0.00 0.00 175.30 173.50 3ek1 s PRO 182 N 1.45 2.84 0.41 5.12 0.04 -1.25 -2.11 135.00 141.50 3ek1 s PRO 182 Ca -0.00 -0.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.67 3ek1 s PRO 182 Cb -0.19 -2.30 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 3ek1 s PRO 182 CO 0.04 -0.72 1.37 0.00 0.04 0.00 0.00 177.00 177.73 3ek1 s ALA 183 N -2.97 3.30 0.26 8.56 0.00 -0.81 -4.83 121.76 125.27 3ek1 s ALA 183 Ca 0.54 1.36 -0.03 0.00 0.00 0.00 0.00 51.96 53.84 3ek1 s ALA 183 Cb -0.10 -3.54 0.53 0.00 0.00 0.00 0.00 23.12 20.00 3ek1 s ALA 183 CO 0.44 -0.98 1.70 -0.44 0.00 0.00 0.00 175.76 176.48 3ek1 h ASP 184 N 2.63 0.15 0.50 0.00 3.32 -1.90 -1.50 116.42 119.61 3ek1 h ASP 184 Ca -0.50 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3ek1 h ASP 184 Cb 1.25 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.96 3ek1 h ASP 184 CO 0.62 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 178.08 3ek1 h LEU 185 N 0.34 0.00 -5.23 1.55 3.38 -1.94 -3.36 115.31 110.05 3ek1 h LEU 185 Ca 0.45 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.07 3ek1 h LEU 185 Cb 0.78 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.20 3ek1 h LEU 185 CO -0.49 0.00 -0.96 0.35 0.09 0.00 0.00 178.44 177.42 3ek1 n THR 186 N -3.05 0.43 0.74 0.22 -2.24 -0.58 -4.68 114.28 105.13 3ek1 n THR 186 Ca -0.01 -2.96 0.13 0.00 -2.27 0.00 0.00 64.05 58.93 3ek1 n THR 186 Cb 0.18 0.60 0.32 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.05 0.18 -0.01 -0.78 -0.04 -1.15 -4.15 135.00 129.00 3ek1 n PRO 187 Ca 0.10 0.09 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 3ek1 n PRO 187 Cb 0.78 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.79 -0.87 1.53 3.38 -1.92 -2.29 115.31 115.92 3ek1 h LEU 188 Ca 0.00 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.54 3ek1 h LEU 188 Cb 0.65 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 3ek1 h LEU 188 CO 0.00 1.25 0.55 0.74 0.09 0.00 0.00 178.44 181.07 3ek1 h THR 189 N 0.49 1.08 -0.20 0.22 2.02 -1.89 -1.19 112.91 113.44 3ek1 h THR 189 Ca -0.02 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.81 3ek1 h THR 189 Cb 1.28 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3ek1 h THR 189 CO 0.14 0.19 0.11 0.00 0.37 0.00 0.00 175.52 176.33 3ek1 h ALA 190 N 1.39 0.25 -0.07 6.16 0.00 -1.60 -2.27 119.26 123.13 3ek1 h ALA 190 Ca 0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3ek1 h ALA 190 Cb 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ek1 h ALA 190 CO -0.15 -0.30 -0.26 -0.07 0.00 0.00 0.00 179.25 178.47 3ek1 h LEU 191 N 0.24 0.11 -0.26 0.00 3.38 -1.18 0.76 115.31 118.36 3ek1 h LEU 191 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3ek1 h LEU 191 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ek1 h LEU 191 CO -0.04 0.38 0.12 0.00 0.09 0.00 0.00 178.44 178.98 3ek1 h ALA 192 N 1.64 0.34 -0.53 1.53 0.00 -0.88 -0.20 119.26 121.16 3ek1 h ALA 192 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 192 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ek1 h ALA 192 CO 0.04 -0.08 0.35 -0.07 0.00 0.00 0.00 179.25 179.48 3ek1 h LEU 193 N 0.28 0.55 -0.51 0.00 3.38 -0.64 -1.06 115.31 117.32 3ek1 h LEU 193 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ek1 h LEU 193 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3ek1 h LEU 193 CO -0.01 0.39 0.32 1.23 0.09 0.00 0.00 178.44 180.45 3ek1 h GLY 194 N 0.64 0.73 0.76 0.83 0.00 -0.34 -0.16 103.07 105.52 3ek1 h GLY 194 Ca 0.20 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.28 3ek1 h GLY 194 CO -0.05 0.28 0.22 -2.08 0.00 0.00 0.00 176.54 174.91 3ek1 h VAL 195 N 0.68 0.96 -0.07 4.60 2.07 0.23 -2.19 116.25 122.53 3ek1 h VAL 195 Ca 0.18 -0.15 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 3ek1 h VAL 195 Cb -0.04 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3ek1 h VAL 195 CO -0.04 0.08 -0.45 -0.07 0.02 0.00 0.00 177.57 177.11 3ek1 h LEU 196 N 0.44 0.18 -0.02 2.57 3.38 -1.19 -1.76 115.31 118.91 3ek1 h LEU 196 Ca 0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ek1 h LEU 196 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3ek1 h LEU 196 CO -0.14 0.61 0.01 0.00 0.09 0.00 0.00 178.44 179.01 3ek1 h ALA 197 N 1.40 0.02 0.07 1.53 0.00 -0.55 0.28 119.26 122.02 3ek1 h ALA 197 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ek1 h ALA 197 Cb 0.86 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3ek1 h ALA 197 CO 0.07 -0.46 -0.37 0.93 0.00 0.00 0.00 179.25 179.42 3ek1 h GLU 198 N -0.01 -0.54 -1.00 0.00 5.08 -1.33 -2.26 114.58 114.51 3ek1 h GLU 198 Ca 0.01 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.63 3ek1 h GLU 198 Cb 0.03 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.30 3ek1 h GLU 198 CO -0.00 -0.36 0.62 -0.22 -1.00 0.00 0.00 179.01 178.05 3ek1 h LYS 199 N -0.57 0.57 0.00 2.33 1.63 -0.64 -0.46 116.57 119.44 3ek1 h LYS 199 Ca 0.04 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3ek1 h LYS 199 Cb 0.62 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3ek1 h LYS 199 CO -0.25 0.38 0.00 0.00 -3.45 0.00 0.00 179.45 176.13 3ek1 h ALA 200 N 1.66 1.00 0.00 5.00 0.00 0.06 -3.46 119.26 123.51 3ek1 h ALA 200 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3ek1 h ALA 200 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ek1 h ALA 200 CO -0.36 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.30 3ek1 n GLY 201 N -0.57 0.76 3.63 0.00 0.00 -0.18 -4.74 105.19 104.09 3ek1 n GLY 201 Ca 0.00 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 3.88 0.65 -0.61 1.01 -0.90 -4.96 121.20 118.27 3ek1 s ILE 202 Ca 0.00 1.01 -0.18 0.00 0.00 0.00 0.00 60.65 61.48 3ek1 s ILE 202 Cb 0.00 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 3ek1 s ILE 202 CO 0.00 -0.34 1.16 -2.65 0.00 0.00 0.00 174.94 173.11 3ek1 n PRO 203 N 7.45 0.97 -1.62 2.79 -0.02 -1.26 -4.55 135.00 138.76 3ek1 n PRO 203 Ca 0.17 0.38 -0.55 0.00 -2.02 0.00 0.00 63.50 61.48 3ek1 n PRO 203 Cb 0.46 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 3ek1 n PRO 203 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 n ALA 204 N -1.95 -1.06 0.00 3.55 0.00 -1.26 -1.39 120.51 118.39 3ek1 n ALA 204 Ca 0.15 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3ek1 n ALA 204 Cb 0.48 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 2.94 3.15 0.06 0.00 0.00 -1.26 -4.73 105.19 105.36 3ek1 n GLY 205 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 1.26 -3.88 1.61 2.07 -1.54 -3.37 116.25 112.39 3ek1 h VAL 206 Ca 0.00 -0.78 -0.68 0.00 0.82 0.00 0.00 66.70 66.06 3ek1 h VAL 206 Cb 0.00 1.73 -0.27 0.00 -1.52 0.00 0.00 31.29 31.23 3ek1 h VAL 206 CO 0.00 0.21 -0.80 -0.22 0.02 0.00 0.00 177.57 176.77 3ek1 s LEU 207 N -9.54 2.53 0.00 2.57 2.96 -1.26 -1.11 118.68 114.83 3ek1 s LEU 207 Ca -0.15 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3ek1 s LEU 207 Cb 0.04 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 3ek1 s LEU 207 CO 0.68 0.27 0.01 -1.10 -1.32 0.00 0.00 176.35 174.90 3ek1 s GLN 208 N -0.31 0.16 -0.16 1.98 -0.21 -0.75 -4.80 119.66 115.57 3ek1 s GLN 208 Ca 0.02 -0.23 0.01 0.00 0.02 0.00 0.00 55.36 55.18 3ek1 s GLN 208 Cb -0.13 0.06 0.03 0.00 1.00 0.00 0.00 33.01 33.97 3ek1 s GLN 208 CO 0.02 -0.03 -0.14 0.42 -2.12 0.00 0.00 175.29 173.45 3ek1 s ILE 209 N -0.61 1.64 -0.05 1.08 1.01 -0.41 -0.05 121.20 123.81 3ek1 s ILE 209 Ca -0.07 -0.75 0.05 0.00 0.00 0.00 0.00 60.65 59.88 3ek1 s ILE 209 Cb -0.04 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.85 3ek1 s ILE 209 CO -0.00 0.41 -0.20 0.68 0.00 0.00 0.00 174.94 175.82 3ek1 s VAL 210 N 1.44 1.69 0.12 2.92 -7.23 -0.44 -1.88 120.40 117.03 3ek1 s VAL 210 Ca 0.04 -0.86 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 3ek1 s VAL 210 Cb -0.14 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 3ek1 s VAL 210 CO -0.10 0.48 -0.16 0.42 -0.31 0.00 0.00 175.10 175.43 3ek1 s THR 211 N -0.03 2.99 -5.00 5.32 -4.23 -1.26 -3.92 115.64 109.51 3ek1 s THR 211 Ca -0.04 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 3ek1 s THR 211 Cb -0.13 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3ek1 s THR 211 CO 0.03 0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 3ek1 n GLY 212 N 0.73 -1.48 3.71 3.99 0.00 -1.25 -1.52 105.19 109.37 3ek1 n GLY 212 Ca -0.15 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ek1 n LYS 213 N -0.51 2.75 0.10 1.61 5.02 -1.26 -4.86 118.16 121.01 3ek1 n LYS 213 Ca 0.00 0.99 -0.13 0.00 -2.02 0.00 0.00 58.31 57.15 3ek1 n LYS 213 Cb 0.00 -2.84 -0.08 0.00 -0.02 0.00 0.00 35.03 32.10 3ek1 n LYS 213 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ek1 h ALA 214 N 6.79 -0.18 -0.17 7.82 0.00 -1.99 -1.55 119.26 129.99 3ek1 h ALA 214 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ek1 h ALA 214 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ek1 h ALA 214 CO 0.95 -0.59 0.11 -0.09 0.00 0.00 0.00 179.25 179.63 3ek1 h ARG 215 N -0.21 0.22 -0.09 0.00 2.43 -1.98 0.46 114.38 115.23 3ek1 h ARG 215 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3ek1 h ARG 215 Cb 0.16 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3ek1 h ARG 215 CO 0.03 0.17 0.01 0.93 -1.51 0.00 0.00 179.97 179.60 3ek1 h GLU 216 N 0.21 0.15 -0.40 0.20 3.07 -1.96 0.49 114.58 116.34 3ek1 h GLU 216 Ca 0.06 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 3ek1 h GLU 216 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 3ek1 h GLU 216 CO -0.01 0.40 0.03 0.82 -1.40 0.00 0.00 179.01 178.84 3ek1 h ILE 217 N -0.11 1.25 -0.23 3.13 2.04 -1.21 -2.49 117.51 119.89 3ek1 h ILE 217 Ca 0.03 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 3ek1 h ILE 217 Cb 0.33 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3ek1 h ILE 217 CO 0.00 0.32 -0.30 1.23 0.00 0.00 0.00 178.15 179.41 3ek1 h GLY 218 N 0.52 0.50 0.99 5.37 0.00 -0.94 -0.11 103.07 109.39 3ek1 h GLY 218 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3ek1 h GLY 218 CO 0.02 0.39 0.44 0.00 0.00 0.00 0.00 176.54 177.39 3ek1 h ALA 219 N 1.28 0.86 -0.23 3.60 0.00 -0.81 -1.37 119.26 122.58 3ek1 h ALA 219 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 219 Cb 0.73 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ek1 h ALA 219 CO 0.06 0.27 -0.14 1.49 0.00 0.00 0.00 179.25 180.93 3ek1 h GLU 220 N 0.90 0.51 -0.26 0.00 4.57 -0.99 -1.70 114.58 117.62 3ek1 h GLU 220 Ca 0.25 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3ek1 h GLU 220 Cb -0.09 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3ek1 h GLU 220 CO -0.06 0.79 0.02 -0.07 -1.18 0.00 0.00 179.01 178.51 3ek1 h LEU 221 N 0.22 0.36 0.00 1.64 3.38 -0.97 -0.41 115.31 119.53 3ek1 h LEU 221 Ca 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ek1 h LEU 221 Cb 0.65 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3ek1 h LEU 221 CO 0.04 0.41 -0.61 0.35 0.09 0.00 0.00 178.44 178.71 3ek1 n THR 222 N -4.34 0.12 0.32 0.22 -2.24 -0.52 -4.09 114.28 103.74 3ek1 n THR 222 Ca 0.01 -0.11 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3ek1 n THR 222 Cb 0.20 0.15 -0.07 0.00 -2.10 0.00 0.00 70.33 68.51 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 -1.73 1.19 -4.67 3.42 3.41 -0.65 -4.36 113.62 110.23 3ek1 n SER 223 Ca 0.04 -0.49 -0.43 0.00 -0.26 0.00 0.00 58.87 57.74 3ek1 n SER 223 Cb 0.38 1.16 -0.02 0.00 -0.26 0.00 0.00 64.21 65.47 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 -2.38 6.97 0.53 4.04 3.84 -0.19 -4.90 114.94 122.85 3ek1 s ASN 224 Ca 0.01 1.74 0.21 0.00 0.21 0.00 0.00 52.86 55.03 3ek1 s ASN 224 Cb 0.07 -2.54 1.35 0.00 -0.55 0.00 0.00 41.25 39.58 3ek1 s ASN 224 CO 0.42 -0.71 2.08 0.44 -2.79 0.00 0.00 177.10 176.55 3ek1 h ASP 225 N 7.97 0.00 -0.04 -4.21 5.19 -1.92 -1.69 116.42 121.71 3ek1 h ASP 225 Ca -0.29 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.04 3ek1 h ASP 225 Cb 1.12 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.62 3ek1 h ASP 225 CO 0.94 0.00 -0.21 0.74 -3.12 0.00 0.00 179.24 177.59 3ek1 h THR 226 N 0.00 1.25 -3.03 0.35 2.02 -1.96 -3.41 112.91 108.12 3ek1 h THR 226 Ca 0.12 -1.16 -0.58 0.00 0.77 0.00 0.00 66.41 65.56 3ek1 h THR 226 Cb 0.48 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 3ek1 h THR 226 CO -0.00 0.37 0.83 -0.69 0.37 0.00 0.00 175.52 176.40 3ek1 s VAL 227 N -4.56 4.56 -0.71 3.16 1.01 -0.64 -4.35 120.40 118.86 3ek1 s VAL 227 Ca -0.06 1.88 0.17 0.00 0.00 0.00 0.00 61.98 63.96 3ek1 s VAL 227 Cb 0.14 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 32.11 3ek1 s VAL 227 CO 0.78 -0.17 0.68 0.54 0.00 0.00 0.00 175.10 176.93 3ek1 n ARG 228 N 6.42 1.28 -3.79 2.72 1.74 0.14 -4.92 116.66 120.26 3ek1 n ARG 228 Ca 0.13 -0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 57.06 3ek1 n ARG 228 Cb 0.46 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.47 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -2.68 0.33 -0.07 5.56 2.20 -1.23 -2.25 119.74 121.61 3ek1 s LYS 229 Ca 0.05 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 56.00 3ek1 s LYS 229 Cb 0.13 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.59 3ek1 s LYS 229 CO 0.70 -0.05 -0.20 -1.17 -0.36 0.00 0.00 175.35 174.28 3ek1 s LEU 230 N -0.00 2.37 -0.13 5.43 2.96 -0.47 -0.76 118.68 128.08 3ek1 s LEU 230 Ca -0.01 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3ek1 s LEU 230 Cb -0.02 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.21 3ek1 s LEU 230 CO 0.01 0.26 -0.20 -0.55 -1.32 0.00 0.00 176.35 174.55 3ek1 s SER 231 N -0.22 2.87 -0.03 3.68 0.15 0.38 -1.48 113.70 119.05 3ek1 s SER 231 Ca -0.01 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.12 3ek1 s SER 231 Cb -0.13 -1.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.87 3ek1 s SER 231 CO 0.03 0.06 -0.07 0.12 1.20 0.00 0.00 173.24 174.58 3ek1 s PHE 232 N 0.87 0.76 -0.10 3.44 5.36 -0.26 -1.41 117.98 126.64 3ek1 s PHE 232 Ca -0.07 -0.18 0.02 0.00 -0.96 0.00 0.00 56.93 55.74 3ek1 s PHE 232 Cb -0.15 -0.58 0.01 0.00 -0.34 0.00 0.00 43.02 41.96 3ek1 s PHE 232 CO -0.02 -0.10 -0.16 0.99 -1.46 0.00 0.00 175.22 174.47 3ek1 s THR 233 N 0.34 1.54 -4.17 0.12 2.01 -0.97 -1.25 115.64 113.25 3ek1 s THR 233 Ca -0.05 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.27 3ek1 s THR 233 Cb -0.09 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.03 3ek1 s THR 233 CO 0.00 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 3ek1 n GLY 234 N 4.03 -0.54 3.79 4.40 0.00 -0.64 -3.57 105.19 112.64 3ek1 n GLY 234 Ca -0.20 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 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 6.36 0.20 1.61 1.04 -1.26 -3.97 113.70 113.68 3ek1 s SER 235 Ca 0.00 2.02 -0.10 0.00 0.48 0.00 0.00 55.95 58.35 3ek1 s SER 235 Cb 0.00 -2.57 0.20 0.00 0.10 0.00 0.00 66.02 63.75 3ek1 s SER 235 CO 0.00 -0.77 1.82 0.74 0.98 0.00 0.00 173.24 176.01 3ek1 h THR 236 N 1.71 1.01 -0.70 2.02 2.02 -1.91 -0.24 112.91 116.82 3ek1 h THR 236 Ca -0.49 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 66.53 3ek1 h THR 236 Cb 1.23 0.25 -0.07 0.00 -1.74 0.00 0.00 68.15 67.82 3ek1 h THR 236 CO 0.60 0.13 0.36 -0.33 0.37 0.00 0.00 175.52 176.65 3ek1 h GLU 237 N 0.70 0.62 -0.09 6.66 3.07 -1.98 0.02 114.58 123.58 3ek1 h GLU 237 Ca 0.28 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.36 58.86 3ek1 h GLU 237 Cb 0.12 -0.14 0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3ek1 h GLU 237 CO -0.15 0.41 -0.87 0.28 -1.40 0.00 0.00 179.01 177.28 3ek1 h VAL 238 N 0.63 1.29 -0.60 3.13 2.07 -1.82 -3.01 116.25 117.94 3ek1 h VAL 238 Ca 0.34 -2.10 0.10 0.00 0.82 0.00 0.00 66.70 65.86 3ek1 h VAL 238 Cb 0.31 2.14 -0.08 0.00 -1.52 0.00 0.00 31.29 32.14 3ek1 h VAL 238 CO -0.24 0.66 0.18 1.23 0.02 0.00 0.00 177.57 179.41 3ek1 h GLY 239 N 0.60 0.81 0.79 2.17 0.00 -0.54 0.29 103.07 107.18 3ek1 h GLY 239 Ca -0.08 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.22 3ek1 h GLY 239 CO 0.17 -0.07 0.40 3.21 0.00 0.00 0.00 176.54 180.26 3ek1 h ARG 240 N 0.33 0.75 -0.21 4.80 3.08 -0.99 -1.04 114.38 121.09 3ek1 h ARG 240 Ca 0.31 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 3ek1 h ARG 240 Cb 0.43 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3ek1 h ARG 240 CO -0.35 0.50 0.01 -0.07 -1.07 0.00 0.00 179.97 178.98 3ek1 h LEU 241 N 0.77 0.36 -0.65 3.04 3.38 -1.24 -2.65 115.31 118.33 3ek1 h LEU 241 Ca 0.29 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ek1 h LEU 241 Cb 0.10 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3ek1 h LEU 241 CO -0.14 0.56 0.41 -0.07 0.09 0.00 0.00 178.44 179.30 3ek1 h LEU 242 N 0.14 0.76 -0.82 1.67 3.38 -0.74 0.02 115.31 119.73 3ek1 h LEU 242 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ek1 h LEU 242 Cb 0.37 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3ek1 h LEU 242 CO 0.01 0.57 0.51 -0.03 0.09 0.00 0.00 178.44 179.59 3ek1 h MET 243 N 0.88 1.09 -0.52 1.13 4.05 -1.19 -0.11 114.93 120.26 3ek1 h MET 243 Ca 0.23 -0.08 -0.11 0.00 -0.28 0.00 0.00 59.70 59.46 3ek1 h MET 243 Cb -0.07 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.48 3ek1 h MET 243 CO -0.05 0.75 -0.10 0.00 0.23 0.00 0.00 176.91 177.74 3ek1 h ALA 244 N 1.28 0.71 -0.49 0.39 0.00 -1.08 -2.88 119.26 117.19 3ek1 h ALA 244 Ca 0.30 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 244 Cb -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3ek1 h ALA 244 CO -0.06 0.62 0.32 1.96 0.00 0.00 0.00 179.25 182.09 3ek1 h GLN 245 N 0.86 0.51 0.00 0.00 4.20 -0.47 -1.95 115.11 118.25 3ek1 h GLN 245 Ca 0.14 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3ek1 h GLN 245 Cb 0.66 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3ek1 h GLN 245 CO 0.05 0.34 -0.01 0.00 -0.67 0.00 0.00 178.83 178.54 3ek1 h ALA 247 N 1.99 1.07 0.00 0.00 0.00 -1.21 -1.63 119.26 119.48 3ek1 h ALA 247 Ca -0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 247 Cb 0.56 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ek1 h ALA 247 CO 0.00 0.59 -0.05 -1.35 0.00 0.00 0.00 179.25 178.43 3ek1 h PRO 248 N 1.16 0.00 -0.17 0.00 0.11 -1.75 -1.73 132.00 129.63 3ek1 h PRO 248 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 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 -0.05 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.05 3ek1 n THR 249 N -3.35 1.67 -3.67 -1.15 -2.24 -1.04 -4.99 114.28 99.51 3ek1 n THR 249 Ca -0.02 -1.63 -0.27 0.00 -2.27 0.00 0.00 64.05 59.87 3ek1 n THR 249 Cb 0.21 0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.52 -2.10 -1.98 2.28 2.08 -0.65 -4.86 119.36 113.61 3ek1 n ILE 250 Ca 0.14 0.00 -0.40 0.00 0.56 0.00 0.00 62.75 63.05 3ek1 n ILE 250 Cb 0.61 -3.05 -0.00 0.00 -0.75 0.00 0.00 39.64 36.44 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 -6.38 3.97 0.55 0.38 1.02 -0.90 -4.99 119.74 113.40 3ek1 s LYS 251 Ca 0.58 2.26 -0.20 0.00 0.02 0.00 0.00 55.97 58.63 3ek1 s LYS 251 Cb -0.28 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 3ek1 s LYS 251 CO 0.71 -0.53 1.24 1.03 -0.92 0.00 0.00 175.35 176.88 3ek1 s ARG 252 N -2.21 3.19 -0.23 1.68 1.81 -0.96 -4.93 118.95 117.29 3ek1 s ARG 252 Ca 0.56 1.92 -0.12 0.00 -1.72 0.00 0.00 55.73 56.37 3ek1 s ARG 252 Cb -0.40 -2.12 0.08 0.00 -0.45 0.00 0.00 34.95 32.05 3ek1 s ARG 252 CO 0.52 -1.06 0.56 -1.50 -0.68 0.00 0.00 175.30 173.15 3ek1 s ILE 253 N -1.50 -0.11 -0.09 1.52 2.07 -1.26 -1.37 121.20 120.46 3ek1 s ILE 253 Ca 0.73 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 60.03 3ek1 s ILE 253 Cb -0.33 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.41 3ek1 s ILE 253 CO 0.37 0.02 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.85 3ek1 s SER 254 N 1.68 4.10 -0.03 4.50 0.01 -0.55 -4.76 113.70 118.65 3ek1 s SER 254 Ca -0.09 -0.23 0.01 0.00 1.31 0.00 0.00 55.95 56.95 3ek1 s SER 254 Cb -0.07 -1.21 0.01 0.00 0.21 0.00 0.00 66.02 64.96 3ek1 s SER 254 CO -0.17 0.27 -0.05 -0.76 0.41 0.00 0.00 173.24 172.94 3ek1 s LEU 255 N -0.27 1.60 -0.19 2.44 1.43 -0.39 -1.10 118.68 122.20 3ek1 s LEU 255 Ca 0.02 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 3ek1 s LEU 255 Cb -0.13 -0.40 0.04 0.00 0.03 0.00 0.00 46.19 45.73 3ek1 s LEU 255 CO 0.03 0.00 -0.10 -0.70 0.23 0.00 0.00 176.35 175.81 3ek1 s GLU 256 N 0.48 1.97 0.00 1.70 2.12 -0.38 -0.23 118.70 124.35 3ek1 s GLU 256 Ca -0.06 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.52 3ek1 s GLU 256 Cb -0.10 -2.31 0.00 0.00 0.26 0.00 0.00 34.13 31.99 3ek1 s GLU 256 CO -0.00 -0.40 0.00 1.28 -0.54 0.00 0.00 175.26 175.60 3ek1 n LEU 257 N 4.73 0.00 -4.77 2.70 4.77 0.54 -1.62 117.00 123.34 3ek1 n LEU 257 Ca -0.15 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 3ek1 n LEU 257 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3ek1 n LEU 257 CO 0.20 0.00 0.78 -0.83 -1.33 0.00 0.00 177.39 176.20 3ek1 s GLY 258 N 0.00 2.49 0.45 -0.72 0.00 -1.25 -4.81 107.32 103.47 3ek1 s GLY 258 Ca 0.00 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.51 3ek1 s GLY 258 CO 0.00 1.12 0.04 -0.32 0.00 0.00 0.00 173.10 173.93 3ek1 s GLY 259 N -2.01 2.74 -0.45 0.20 0.00 -1.26 -4.24 107.32 102.30 3ek1 s GLY 259 Ca 0.71 -1.12 0.07 0.00 0.00 0.00 0.00 44.72 44.38 3ek1 s GLY 259 CO 0.32 -2.06 0.79 -2.01 0.00 0.00 0.00 173.10 170.14 3ek1 n ASN 260 N -1.16 -1.67 -4.66 1.64 5.15 -1.26 -4.69 115.26 108.61 3ek1 n ASN 260 Ca -0.12 -3.15 -0.42 0.00 -0.60 0.00 0.00 54.58 50.29 3ek1 n ASN 260 Cb 0.67 0.94 -0.03 0.00 -0.53 0.00 0.00 39.78 40.82 3ek1 n ASN 260 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ek1 s ALA 261 N -0.12 3.61 0.10 5.20 0.00 -1.26 -4.75 121.76 124.54 3ek1 s ALA 261 Ca 0.32 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 3ek1 s ALA 261 Cb 0.23 -3.78 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 3ek1 s ALA 261 CO -0.17 -1.43 0.67 -1.25 0.00 0.00 0.00 175.76 173.58 3ek1 s PRO 262 N 4.04 4.39 -0.21 0.00 0.04 -1.26 -0.19 135.00 141.82 3ek1 s PRO 262 Ca 0.79 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3ek1 s PRO 262 Cb -0.37 -3.27 0.04 0.00 0.04 0.00 0.00 34.50 30.94 3ek1 s PRO 262 CO 0.34 0.54 -0.12 0.12 0.04 0.00 0.00 177.00 177.93 3ek1 s PHE 263 N -0.91 2.60 -0.15 0.56 5.36 0.63 -1.21 117.98 124.86 3ek1 s PHE 263 Ca 0.33 -1.72 -0.01 0.00 -0.96 0.00 0.00 56.93 54.58 3ek1 s PHE 263 Cb -0.21 -1.72 -0.01 0.00 -0.34 0.00 0.00 43.02 40.74 3ek1 s PHE 263 CO 0.22 -0.77 -0.13 0.42 -1.46 0.00 0.00 175.22 173.50 3ek1 s ILE 264 N 1.34 2.95 -0.25 3.12 1.01 0.17 0.37 121.20 129.91 3ek1 s ILE 264 Ca -0.02 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3ek1 s ILE 264 Cb -0.16 -2.26 0.05 0.00 0.01 0.00 0.00 42.46 40.10 3ek1 s ILE 264 CO -0.08 0.51 -0.11 -0.69 0.00 0.00 0.00 174.94 174.57 3ek1 s VAL 265 N 0.70 2.32 0.40 2.92 1.01 0.99 -0.25 120.40 128.48 3ek1 s VAL 265 Ca -0.06 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.45 3ek1 s VAL 265 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3ek1 s VAL 265 CO 0.02 0.08 0.67 -0.36 0.00 0.00 0.00 175.10 175.51 3ek1 s PHE 266 N 1.17 3.52 0.64 5.22 0.08 -1.09 -1.13 117.98 126.40 3ek1 s PHE 266 Ca -0.05 0.67 0.37 0.00 0.12 0.00 0.00 56.93 58.04 3ek1 s PHE 266 Cb -0.18 -2.16 2.08 0.00 -0.57 0.00 0.00 43.02 42.19 3ek1 s PHE 266 CO -0.06 -0.06 2.24 -0.44 -0.10 0.00 0.00 175.22 176.80 3ek1 h ASP 267 N 0.75 0.00 -0.61 1.36 3.32 -1.89 -0.88 116.42 118.46 3ek1 h ASP 267 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3ek1 h ASP 267 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3ek1 h ASP 267 CO 0.63 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 3ek1 n ASP 268 N -3.29 4.71 -4.65 6.45 5.75 -1.26 -4.94 116.55 119.32 3ek1 n ASP 268 Ca -0.02 -2.49 -0.31 0.00 -0.01 0.00 0.00 54.79 51.97 3ek1 n ASP 268 Cb 0.17 -0.57 0.18 0.00 -1.03 0.00 0.00 41.12 39.86 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek1 s ALA 269 N -1.91 1.17 -0.41 2.12 0.00 -0.34 -3.07 121.76 119.32 3ek1 s ALA 269 Ca 0.50 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.62 3ek1 s ALA 269 Cb 0.33 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 20.06 3ek1 s ALA 269 CO 0.23 -2.91 1.20 0.34 0.00 0.00 0.00 175.76 174.62 3ek1 s ASP 270 N -2.68 6.65 0.09 0.00 -1.08 -1.26 -4.86 116.67 113.52 3ek1 s ASP 270 Ca 0.67 0.75 -0.10 0.00 -0.52 0.00 0.00 52.55 53.34 3ek1 s ASP 270 Cb -0.23 -2.55 -0.18 0.00 -1.46 0.00 0.00 42.92 38.50 3ek1 s ASP 270 CO 0.59 -1.19 1.23 0.25 0.52 0.00 0.00 175.17 176.57 3ek1 h LEU 271 N 11.12 0.77 -0.22 -1.34 5.85 -1.96 -0.07 115.31 129.47 3ek1 h LEU 271 Ca -0.24 -0.62 -0.19 0.00 0.84 0.00 0.00 57.88 57.67 3ek1 h LEU 271 Cb 1.07 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3ek1 h LEU 271 CO 1.09 1.42 -0.60 0.44 -0.34 0.00 0.00 178.44 180.45 3ek1 h ASP 272 N 0.33 0.90 -0.41 1.25 3.32 -1.99 -0.67 116.42 119.15 3ek1 h ASP 272 Ca -0.11 -0.58 0.08 0.00 0.02 0.00 0.00 57.03 56.44 3ek1 h ASP 272 Cb 1.67 -0.26 -0.08 0.00 0.22 0.00 0.00 39.33 40.88 3ek1 h ASP 272 CO 0.19 1.32 -0.11 0.00 -1.72 0.00 0.00 179.24 178.92 3ek1 h ALA 273 N 0.61 0.25 -0.55 3.45 0.00 -1.96 0.11 119.26 121.18 3ek1 h ALA 273 Ca -0.01 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3ek1 h ALA 273 Cb 1.22 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.31 3ek1 h ALA 273 CO 0.13 -0.46 0.36 0.00 0.00 0.00 0.00 179.25 179.28 3ek1 h ALA 274 N 1.38 1.63 -0.26 0.00 0.00 -0.58 0.60 119.26 122.03 3ek1 h ALA 274 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 274 Cb 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ek1 h ALA 274 CO -0.43 0.33 -0.17 0.28 0.00 0.00 0.00 179.25 179.26 3ek1 h VAL 275 N 0.72 1.30 0.00 0.00 2.07 -0.29 -0.30 116.25 119.74 3ek1 h VAL 275 Ca 0.20 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 3ek1 h VAL 275 Cb -0.05 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3ek1 h VAL 275 CO -0.05 0.41 -0.14 0.44 0.02 0.00 0.00 177.57 178.25 3ek1 h ASP 276 N 0.31 0.00 -0.16 0.57 5.19 0.02 -0.95 116.42 121.39 3ek1 h ASP 276 Ca 0.05 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.29 3ek1 h ASP 276 Cb 0.70 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.22 3ek1 h ASP 276 CO 0.05 0.14 -0.59 1.23 -3.12 0.00 0.00 179.24 176.94 3ek1 h GLY 277 N 0.44 0.75 1.10 2.75 0.00 -0.66 -2.78 103.07 104.67 3ek1 h GLY 277 Ca -0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.28 3ek1 h GLY 277 CO 0.02 0.90 0.34 0.00 0.00 0.00 0.00 176.54 177.80 3ek1 h ALA 278 N 0.54 1.12 -0.63 3.60 0.00 -0.67 -1.31 119.26 121.92 3ek1 h ALA 278 Ca -0.03 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3ek1 h ALA 278 Cb 1.22 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3ek1 h ALA 278 CO 0.13 0.64 0.17 0.52 0.00 0.00 0.00 179.25 180.71 3ek1 h MET 279 N 1.13 0.99 0.02 0.00 2.07 -1.10 0.10 114.93 118.15 3ek1 h MET 279 Ca 0.27 -0.23 -0.24 0.00 -2.07 0.00 0.00 59.70 57.43 3ek1 h MET 279 Cb 0.17 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 29.77 3ek1 h MET 279 CO -0.03 0.89 -1.00 -0.24 1.07 0.00 0.00 176.91 177.61 3ek1 h VAL 280 N 0.91 1.41 0.00 -2.22 3.04 -1.31 0.56 116.25 118.63 3ek1 h VAL 280 Ca 0.20 -2.52 -0.20 0.00 -1.01 0.00 0.00 66.70 63.16 3ek1 h VAL 280 Cb 0.34 2.50 -0.03 0.00 -2.01 0.00 0.00 31.29 32.08 3ek1 h VAL 280 CO -0.00 0.75 -1.17 0.77 -1.01 0.00 0.00 177.57 176.91 3ek1 h SER 281 N 0.21 0.00 0.18 3.17 4.64 -1.06 -3.19 113.55 117.50 3ek1 h SER 281 Ca -0.09 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.91 3ek1 h SER 281 Cb 1.64 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.75 3ek1 h SER 281 CO 0.17 0.81 -1.54 0.50 -0.87 0.00 0.00 176.83 175.90 3ek1 h LYS 282 N 0.00 0.38 -0.01 4.77 1.63 -0.83 -2.56 116.57 119.94 3ek1 h LYS 282 Ca -0.11 -0.65 0.00 0.00 -0.85 0.00 0.00 60.65 59.04 3ek1 h LYS 282 Cb 1.72 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 33.59 3ek1 h LYS 282 CO 0.09 1.31 -0.30 0.66 -3.45 0.00 0.00 179.45 177.76 3ek1 n TYR 283 N -3.74 0.00 -1.86 1.91 4.01 0.18 -3.03 117.16 114.63 3ek1 n TYR 283 Ca -0.22 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.11 3ek1 n TYR 283 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.05 3ek1 n TYR 283 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3ek1 s ARG 284 N -1.83 3.97 -1.55 -0.72 3.00 -1.20 -2.29 118.95 118.32 3ek1 s ARG 284 Ca 0.14 2.44 -0.01 0.00 0.00 0.00 0.00 55.73 58.30 3ek1 s ARG 284 Cb 0.13 -2.84 0.00 0.00 0.00 0.00 0.00 34.95 32.24 3ek1 s ARG 284 CO 0.38 -0.60 0.10 -1.71 0.00 0.00 0.00 175.30 173.47 3ek1 n ASN 285 N 0.22 -5.35 -2.73 0.23 5.15 -1.26 -0.83 115.26 110.69 3ek1 n ASN 285 Ca 0.03 -0.01 -0.20 0.00 -0.60 0.00 0.00 54.58 53.79 3ek1 n ASN 285 Cb 0.41 -4.45 0.01 0.00 -0.53 0.00 0.00 39.78 35.21 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 -2.34 -0.82 -1.27 5.20 0.00 -0.97 -1.03 120.51 119.27 3ek1 n ALA 286 Ca -0.20 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.33 3ek1 n ALA 286 Cb 0.65 -2.68 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 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 -1.16 1.08 1.59 0.00 0.00 -0.01 -2.42 105.19 104.27 3ek1 n GLY 287 Ca -0.15 -0.45 0.09 0.00 0.00 0.00 0.00 46.02 45.51 3ek1 n GLY 287 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3ek1 n GLN 288 N -2.41 3.76 -2.71 1.61 6.02 -0.20 -2.76 117.38 120.68 3ek1 n GLN 288 Ca -0.09 -2.81 -0.26 0.00 -0.01 0.00 0.00 57.00 53.83 3ek1 n GLN 288 Cb 0.35 -1.91 0.01 0.00 1.02 0.00 0.00 30.24 29.70 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 -1.91 4.51 -1.52 5.09 -4.23 -1.26 -4.82 115.64 111.49 3ek1 s THR 289 Ca 0.50 -0.02 0.25 0.00 -1.18 0.00 0.00 61.69 61.24 3ek1 s THR 289 Cb 0.33 -3.71 0.08 0.00 1.34 0.00 0.00 72.50 70.54 3ek1 s THR 289 CO 0.23 -0.66 1.35 0.00 -0.54 0.00 0.00 174.62 175.01 3ek1 n VAL 291 N -0.86 1.79 -2.51 0.00 0.24 -1.26 -4.19 118.33 111.54 3ek1 n VAL 291 Ca 0.09 -1.03 -0.35 0.00 -2.04 0.00 0.00 64.34 61.01 3ek1 n VAL 291 Cb 0.37 -0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3ek1 n VAL 291 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 s ALA 293 N -1.85 3.77 -0.06 0.00 0.00 -0.96 -4.10 121.76 118.55 3ek1 s ALA 293 Ca 0.65 1.38 0.08 0.00 0.00 0.00 0.00 51.96 54.06 3ek1 s ALA 293 Cb -0.19 -3.70 -0.11 0.00 0.00 0.00 0.00 23.12 19.12 3ek1 s ALA 293 CO 0.23 -1.04 0.07 -1.71 0.00 0.00 0.00 175.76 173.32 3ek1 n ASN 294 N 4.99 2.94 -3.82 0.00 5.15 0.74 -4.70 115.26 120.55 3ek1 n ASN 294 Ca 0.16 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.87 3ek1 n ASN 294 Cb 0.38 0.90 -0.17 0.00 -0.53 0.00 0.00 39.78 40.36 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 -2.32 1.04 -0.43 1.20 0.52 -0.85 -4.61 118.95 113.49 3ek1 s ARG 295 Ca -0.04 -0.36 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 3ek1 s ARG 295 Cb 0.03 -1.83 0.07 0.00 0.52 0.00 0.00 34.95 33.75 3ek1 s ARG 295 CO 0.35 -0.47 0.31 0.42 0.02 0.00 0.00 175.30 175.93 3ek1 s ILE 296 N 1.77 4.71 -0.18 1.52 1.01 -0.87 -0.27 121.20 128.89 3ek1 s ILE 296 Ca 0.01 -1.17 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 3ek1 s ILE 296 Cb -0.15 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 3ek1 s ILE 296 CO -0.07 -0.50 0.42 -0.31 0.00 0.00 0.00 174.94 174.48 3ek1 s TYR 297 N 1.54 3.42 -0.07 3.97 2.02 0.16 -0.65 117.35 127.73 3ek1 s TYR 297 Ca 0.03 0.69 0.01 0.00 -0.37 0.00 0.00 57.07 57.43 3ek1 s TYR 297 Cb -0.23 -2.52 0.02 0.00 -0.40 0.00 0.00 41.96 38.83 3ek1 s TYR 297 CO 0.05 0.05 -0.06 0.08 -1.57 0.00 0.00 175.55 174.10 3ek1 s VAL 298 N 1.08 0.77 0.37 0.71 1.01 0.93 -0.01 120.40 125.26 3ek1 s VAL 298 Ca 0.21 -0.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 3ek1 s VAL 298 Cb -0.15 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 3ek1 s VAL 298 CO 0.08 0.30 1.34 -1.58 0.00 0.00 0.00 175.10 175.24 3ek1 s GLN 299 N 1.22 4.13 0.29 2.72 0.74 -0.28 -1.80 119.66 126.68 3ek1 s GLN 299 Ca -0.05 2.26 0.03 0.00 0.05 0.00 0.00 55.36 57.64 3ek1 s GLN 299 Cb -0.14 -2.91 0.70 0.00 1.10 0.00 0.00 33.01 31.76 3ek1 s GLN 299 CO -0.02 -0.39 1.71 -0.09 -0.55 0.00 0.00 175.29 175.95 3ek1 h ARG 300 N 3.00 0.42 0.00 1.67 2.43 -1.50 -1.07 114.38 119.33 3ek1 h ARG 300 Ca -0.50 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 3ek1 h ARG 300 Cb 1.24 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3ek1 h ARG 300 CO 0.64 0.28 -0.03 0.78 -1.51 0.00 0.00 179.97 180.13 3ek1 h GLY 301 N 0.43 0.00 0.00 2.80 0.00 -1.90 -3.03 103.07 101.38 3ek1 h GLY 301 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3ek1 h GLY 301 CO -0.50 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.37 3ek1 n VAL 302 N -3.87 0.54 0.23 4.60 0.24 -0.46 -4.86 118.33 114.75 3ek1 n VAL 302 Ca -0.03 -0.66 -0.13 0.00 -2.04 0.00 0.00 64.34 61.48 3ek1 n VAL 302 Cb 0.12 0.80 -0.07 0.00 -1.47 0.00 0.00 33.84 33.21 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 0.00 -0.98 -0.84 6.34 3.20 -1.28 0.48 116.97 123.89 3ek1 h TYR 303 Ca 0.00 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3ek1 h TYR 303 Cb 0.45 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 39.04 3ek1 h TYR 303 CO 0.00 -0.49 0.53 -0.44 -1.64 0.00 0.00 178.16 176.13 3ek1 h ASP 304 N -0.75 0.87 -0.11 -2.11 3.32 -1.89 0.42 116.42 116.18 3ek1 h ASP 304 Ca -0.05 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.87 3ek1 h ASP 304 Cb 0.63 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3ek1 h ASP 304 CO -0.02 0.59 -0.35 0.50 -1.72 0.00 0.00 179.24 178.24 3ek1 h LYS 305 N 1.02 0.61 -0.18 3.56 3.64 -1.84 -0.38 116.57 123.00 3ek1 h LYS 305 Ca 0.34 -0.29 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3ek1 h LYS 305 Cb 0.05 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3ek1 h LYS 305 CO -0.13 0.87 -0.02 0.35 -2.27 0.00 0.00 179.45 178.25 3ek1 h PHE 306 N 0.51 0.36 -0.69 1.91 3.57 0.11 -2.58 116.94 120.14 3ek1 h PHE 306 Ca 0.05 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.52 3ek1 h PHE 306 Cb 0.84 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.45 3ek1 h PHE 306 CO 0.04 0.57 0.42 0.00 -2.23 0.00 0.00 178.31 177.10 3ek1 h ALA 307 N 0.75 0.91 -0.09 2.41 0.00 0.06 0.13 119.26 123.42 3ek1 h ALA 307 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 307 Cb 0.44 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3ek1 h ALA 307 CO 0.01 0.16 -0.25 1.49 0.00 0.00 0.00 179.25 180.66 3ek1 h GLU 308 N 0.80 -0.33 -0.40 0.00 4.81 -1.09 -0.42 114.58 117.94 3ek1 h GLU 308 Ca 0.29 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 3ek1 h GLU 308 Cb 0.07 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3ek1 h GLU 308 CO -0.13 -0.22 -0.16 0.87 -0.73 0.00 0.00 179.01 178.64 3ek1 h LYS 309 N -0.34 0.76 -0.25 1.92 1.57 -0.97 -2.35 116.57 116.91 3ek1 h LYS 309 Ca 0.09 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3ek1 h LYS 309 Cb 0.47 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3ek1 h LYS 309 CO -0.29 0.88 0.12 1.25 -0.57 0.00 0.00 179.45 180.84 3ek1 h LEU 310 N 0.68 0.33 -0.81 2.94 5.85 -0.52 -2.99 115.31 120.78 3ek1 h LEU 310 Ca 0.11 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 58.83 3ek1 h LEU 310 Cb 0.65 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.51 3ek1 h LEU 310 CO 0.05 0.36 0.41 0.00 -0.34 0.00 0.00 178.44 178.91 3ek1 h ALA 311 N 0.98 1.17 -0.96 1.25 0.00 -0.66 -0.74 119.26 120.31 3ek1 h ALA 311 Ca 0.09 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3ek1 h ALA 311 Cb 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3ek1 h ALA 311 CO -0.01 -0.07 0.60 0.00 0.00 0.00 0.00 179.25 179.77 3ek1 h ALA 312 N 1.52 1.37 0.15 0.00 0.00 -1.29 -2.41 119.26 118.60 3ek1 h ALA 312 Ca 0.42 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 312 Cb 0.55 -0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 312 CO -0.33 0.30 -1.08 0.87 0.00 0.00 0.00 179.25 179.01 3ek1 h LYS 313 N 1.03 0.47 -0.26 0.00 1.79 -1.14 -3.24 116.57 115.23 3ek1 h LYS 313 Ca 0.44 -0.70 0.05 0.00 -2.18 0.00 0.00 60.65 58.26 3ek1 h LYS 313 Cb 0.30 0.25 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 3ek1 h LYS 313 CO -0.21 1.32 -0.07 0.28 -1.08 0.00 0.00 179.45 179.68 3ek1 h VAL 314 N -0.03 0.72 -0.93 0.50 2.07 -1.09 -2.03 116.25 115.46 3ek1 h VAL 314 Ca -0.18 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.61 3ek1 h VAL 314 Cb 1.81 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 3ek1 h VAL 314 CO 0.20 0.00 0.66 0.50 0.02 0.00 0.00 177.57 178.96 3ek1 h LYS 315 N -0.02 0.05 -0.00 1.57 3.64 -1.46 0.23 116.57 120.58 3ek1 h LYS 315 Ca 0.13 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3ek1 h LYS 315 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3ek1 h LYS 315 CO -0.27 0.03 -0.01 0.39 -2.27 0.00 0.00 179.45 177.32 3ek1 n GLU 316 N -4.29 1.16 -2.26 1.90 -0.58 -0.77 -4.85 120.64 110.96 3ek1 n GLU 316 Ca 0.20 -0.31 -0.43 0.00 -0.42 0.00 0.00 57.16 56.20 3ek1 n GLU 316 Cb 0.97 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.05 3.73 -0.31 -4.62 1.43 0.81 -4.96 118.68 112.71 3ek1 s LEU 317 Ca 0.43 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.45 3ek1 s LEU 317 Cb 0.22 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.90 3ek1 s LEU 317 CO 0.37 -1.33 1.29 -0.75 0.23 0.00 0.00 176.35 176.15 3ek1 s LYS 318 N 4.77 3.91 -0.03 1.70 2.20 -1.26 -4.94 119.74 126.08 3ek1 s LYS 318 Ca 0.65 1.21 -0.15 0.00 -0.36 0.00 0.00 55.97 57.32 3ek1 s LYS 318 Cb -0.19 -3.87 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 3ek1 s LYS 318 CO 0.29 -1.13 0.41 0.08 -0.36 0.00 0.00 175.35 174.64 3ek1 s VAL 319 N 4.36 5.08 -2.18 4.02 1.01 -1.26 -0.84 120.40 130.59 3ek1 s VAL 319 Ca 0.55 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.36 3ek1 s VAL 319 Cb -0.16 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3ek1 s VAL 319 CO 0.23 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.47 3ek1 n GLY 320 N 2.17 -1.55 3.74 4.51 0.00 0.47 -4.95 105.19 109.57 3ek1 n GLY 320 Ca -0.13 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.32 6.38 0.61 1.61 3.84 -1.26 -4.07 114.94 119.73 3ek1 s ASN 321 Ca 0.00 2.91 0.37 0.00 0.21 0.00 0.00 52.86 56.36 3ek1 s ASN 321 Cb 0.00 -2.62 2.00 0.00 -0.55 0.00 0.00 41.25 40.09 3ek1 s ASN 321 CO 0.00 -0.94 2.25 1.23 -2.79 0.00 0.00 177.10 176.85 3ek1 h GLY 322 N 5.71 0.00 0.61 1.21 0.00 -1.85 -1.21 103.07 107.54 3ek1 h GLY 322 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ek1 h GLY 322 CO 0.87 0.00 -0.02 -1.30 0.00 0.00 0.00 176.54 176.08 3ek1 n THR 323 N -3.33 0.00 -3.00 4.70 -2.24 -1.26 -2.24 114.28 106.91 3ek1 n THR 323 Ca -0.02 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 3ek1 n THR 323 Cb 0.13 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 3ek1 n THR 323 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3ek1 s GLU 324 N -2.13 4.28 0.12 -0.78 0.41 -0.46 -5.00 118.70 115.15 3ek1 s GLU 324 Ca 0.40 0.85 -0.35 0.00 -0.41 0.00 0.00 54.97 55.46 3ek1 s GLU 324 Cb 0.21 -3.56 -0.16 0.00 -1.78 0.00 0.00 34.13 28.84 3ek1 s GLU 324 CO 0.39 -0.24 1.25 -2.30 -0.49 0.00 0.00 175.26 173.86 3ek1 n PRO 325 N 4.96 1.10 0.00 0.39 -0.02 -1.26 -1.30 135.00 138.88 3ek1 n PRO 325 Ca 0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3ek1 n PRO 325 Cb 0.49 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.27 2.66 3.69 -1.23 0.00 -1.26 -5.00 105.19 106.31 3ek1 n GLY 326 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.73 3.51 -0.40 1.61 1.01 -0.42 -4.57 120.40 118.40 3ek1 s VAL 327 Ca 0.00 0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.97 3ek1 s VAL 327 Cb 0.00 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3ek1 s VAL 327 CO 0.00 0.00 0.35 1.33 0.00 0.00 0.00 175.10 176.78 3ek1 n VAL 328 N 4.65 0.00 -3.93 2.92 0.24 -0.02 -4.79 118.33 117.40 3ek1 n VAL 328 Ca 0.14 -0.35 -0.28 0.00 -2.04 0.00 0.00 64.34 61.81 3ek1 n VAL 328 Cb 0.43 1.02 -0.17 0.00 -1.47 0.00 0.00 33.84 33.65 3ek1 n VAL 328 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ek1 s ILE 329 N -1.57 1.21 0.25 1.34 -1.09 -0.73 -4.81 121.20 115.80 3ek1 s ILE 329 Ca 0.03 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 3ek1 s ILE 329 Cb 0.06 -1.28 0.05 0.00 -1.58 0.00 0.00 42.46 39.71 3ek1 s ILE 329 CO 0.27 0.27 0.35 0.61 -1.23 0.00 0.00 174.94 175.21 3ek1 n GLY 330 N 4.86 0.14 3.72 6.18 0.00 -1.26 -0.40 105.19 118.44 3ek1 n GLY 330 Ca -0.13 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 3ek1 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek1 s PRO 331 N -3.45 1.59 0.82 1.61 0.04 -1.26 -4.76 135.00 129.59 3ek1 s PRO 331 Ca 0.22 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 3ek1 s PRO 331 Cb -0.01 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.80 3ek1 s PRO 331 CO 0.15 -2.14 1.16 -1.64 0.04 0.00 0.00 177.00 174.58 3ek1 s MET 332 N -4.80 1.90 0.11 4.56 -1.94 0.30 -4.81 119.30 114.62 3ek1 s MET 332 Ca 0.64 0.18 0.13 0.00 -1.71 0.00 0.00 55.69 54.93 3ek1 s MET 332 Cb -0.19 -1.94 -0.12 0.00 2.01 0.00 0.00 34.83 34.59 3ek1 s MET 332 CO 0.57 -1.65 1.06 0.97 -0.01 0.00 0.00 175.02 175.95 3ek1 h ILE 333 N -1.10 0.93 -2.95 2.53 6.09 -1.86 -3.46 117.51 117.69 3ek1 h ILE 333 Ca -0.47 -2.50 0.01 0.00 -1.37 0.00 0.00 64.86 60.53 3ek1 h ILE 333 Cb 1.32 2.39 -0.11 0.00 0.47 0.00 0.00 36.82 40.89 3ek1 h ILE 333 CO 0.65 0.53 0.24 -1.83 -3.07 0.00 0.00 178.15 174.66 3ek1 s GLU 334 N -2.82 1.35 0.16 2.19 -1.05 -1.26 -4.91 118.70 112.36 3ek1 s GLU 334 Ca -0.01 -0.56 -0.10 0.00 -0.15 0.00 0.00 54.97 54.15 3ek1 s GLU 334 Cb 0.09 0.58 0.03 0.00 -0.44 0.00 0.00 34.13 34.38 3ek1 s GLU 334 CO 0.80 -0.60 1.59 1.05 0.95 0.00 0.00 175.26 179.05 3ek1 h GLU 335 N 2.00 1.00 -1.00 -4.83 4.11 -1.97 -2.55 114.58 111.34 3ek1 h GLU 335 Ca -0.30 -0.37 0.28 0.00 0.07 0.00 0.00 59.36 59.04 3ek1 h GLU 335 Cb 1.29 -0.06 -0.19 0.00 0.50 0.00 0.00 28.75 30.29 3ek1 h GLU 335 CO 0.35 1.05 0.05 1.17 0.07 0.00 0.00 179.01 181.69 3ek1 n LYS 336 N -4.18 -0.08 -0.10 1.06 4.81 -1.26 -0.82 118.16 117.60 3ek1 n LYS 336 Ca 0.01 1.49 -0.09 0.00 -0.87 0.00 0.00 58.31 58.85 3ek1 n LYS 336 Cb 0.40 -2.38 -0.02 0.00 0.02 0.00 0.00 35.03 33.05 3ek1 n LYS 336 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ek1 h ALA 337 N 1.99 0.41 -0.99 3.14 0.00 -1.87 -2.28 119.26 119.66 3ek1 h ALA 337 Ca 0.62 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.50 3ek1 h ALA 337 Cb 1.30 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 3ek1 h ALA 337 CO -0.93 -0.08 0.65 0.82 0.00 0.00 0.00 179.25 179.71 3ek1 h ILE 338 N 0.40 1.20 -0.27 0.00 2.04 -1.01 -1.53 117.51 118.34 3ek1 h ILE 338 Ca 0.11 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.55 3ek1 h ILE 338 Cb 0.03 -0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 35.89 3ek1 h ILE 338 CO -0.02 0.23 0.13 0.74 0.00 0.00 0.00 178.15 179.24 3ek1 h THR 339 N 1.29 0.99 -0.24 -0.27 2.02 -0.86 0.17 112.91 116.01 3ek1 h THR 339 Ca 0.38 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.44 3ek1 h THR 339 Cb -0.05 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3ek1 h THR 339 CO -0.11 0.05 0.04 0.50 0.37 0.00 0.00 175.52 176.37 3ek1 h LYS 340 N 0.28 0.40 -0.84 6.66 3.64 -1.07 0.31 116.57 125.95 3ek1 h LYS 340 Ca 0.11 -0.11 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3ek1 h LYS 340 Cb 0.03 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 3ek1 h LYS 340 CO -0.08 0.53 0.47 0.28 -2.27 0.00 0.00 179.45 178.38 3ek1 h VAL 341 N 0.20 0.84 -0.52 2.00 2.07 -0.83 -1.25 116.25 118.76 3ek1 h VAL 341 Ca 0.07 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 3ek1 h VAL 341 Cb 0.33 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3ek1 h VAL 341 CO 0.01 0.13 0.12 0.11 0.02 0.00 0.00 177.57 177.96 3ek1 h LYS 342 N 0.74 0.83 -0.39 1.57 1.57 -0.22 -2.51 116.57 118.16 3ek1 h LYS 342 Ca 0.43 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 3ek1 h LYS 342 Cb 0.48 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3ek1 h LYS 342 CO -0.29 0.80 0.27 0.00 -0.57 0.00 0.00 179.45 179.66 3ek1 h ALA 343 N 1.00 2.01 -0.09 3.86 0.00 -0.13 -1.10 119.26 124.81 3ek1 h ALA 343 Ca 0.16 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 343 Cb 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.08 3ek1 h ALA 343 CO 0.00 -0.09 -0.59 0.45 0.00 0.00 0.00 179.25 179.02 3ek1 h HIS 344 N 0.28 0.78 -0.88 0.00 3.86 -0.86 -1.53 115.15 116.80 3ek1 h HIS 344 Ca 0.17 -0.36 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 3ek1 h HIS 344 Cb 0.34 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.65 3ek1 h HIS 344 CO -0.00 1.15 0.54 0.82 0.86 0.00 0.00 177.93 181.31 3ek1 h ILE 345 N 0.19 1.24 -0.05 2.45 2.04 -1.06 -1.98 117.51 120.33 3ek1 h ILE 345 Ca -0.05 -0.49 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3ek1 h ILE 345 Cb 1.24 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 3ek1 h ILE 345 CO 0.12 0.24 -0.12 -0.33 0.00 0.00 0.00 178.15 178.06 3ek1 h GLU 346 N 1.20 0.18 -0.51 2.37 4.39 -1.02 -1.59 114.58 119.60 3ek1 h GLU 346 Ca 0.32 -0.12 0.03 0.00 0.34 0.00 0.00 59.36 59.93 3ek1 h GLU 346 Cb -0.08 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 3ek1 h GLU 346 CO -0.06 0.72 0.29 0.22 -1.16 0.00 0.00 179.01 179.02 3ek1 h ASP 347 N -0.34 0.46 0.23 1.42 3.58 -1.29 -1.29 116.42 119.19 3ek1 h ASP 347 Ca -0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 3ek1 h ASP 347 Cb 0.72 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.69 3ek1 h ASP 347 CO 0.03 0.32 -0.11 0.00 -2.88 0.00 0.00 179.24 176.60 3ek1 h ALA 348 N 1.24 -0.31 -0.67 -0.78 0.00 -1.22 -1.53 119.26 115.99 3ek1 h ALA 348 Ca 0.21 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ek1 h ALA 348 Cb 0.05 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 348 CO -0.11 -0.66 0.18 0.28 0.00 0.00 0.00 179.25 178.95 3ek1 h VAL 349 N -0.33 1.25 0.00 0.00 2.07 -1.21 -0.41 116.25 117.62 3ek1 h VAL 349 Ca -0.03 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3ek1 h VAL 349 Cb 0.26 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3ek1 h VAL 349 CO 0.05 0.34 -0.13 0.77 0.02 0.00 0.00 177.57 178.62 3ek1 h SER 350 N 0.99 0.00 -0.60 0.57 4.64 -0.92 -0.39 113.55 117.85 3ek1 h SER 350 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3ek1 h SER 350 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ek1 h SER 350 CO -0.00 0.13 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 3ek1 n LYS 351 N -3.73 3.25 0.00 4.77 5.02 -0.60 -4.94 118.16 121.93 3ek1 n LYS 351 Ca -0.02 -2.52 0.00 0.00 -2.02 0.00 0.00 58.31 53.75 3ek1 n LYS 351 Cb 0.24 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 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 1.17 0.87 3.76 0.72 0.00 -0.16 -5.01 105.19 106.54 3ek1 n GLY 352 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3ek1 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s ALA 353 N -2.00 3.03 -0.11 4.61 0.00 -0.25 -4.89 121.76 122.14 3ek1 s ALA 353 Ca 0.00 1.34 -0.04 0.00 0.00 0.00 0.00 51.96 53.25 3ek1 s ALA 353 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3ek1 s ALA 353 CO 0.00 -1.19 0.05 0.15 0.00 0.00 0.00 175.76 174.77 3ek1 s LYS 354 N -2.66 3.30 -1.01 0.00 -0.14 -0.38 -4.00 119.74 114.84 3ek1 s LYS 354 Ca 0.66 -0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.80 3ek1 s LYS 354 Cb -0.40 -2.98 0.19 0.00 -1.68 0.00 0.00 37.83 32.96 3ek1 s LYS 354 CO 0.50 0.64 1.11 -1.17 -0.76 0.00 0.00 175.35 175.67 3ek1 s LEU 355 N -0.68 5.72 0.22 3.17 2.96 -1.26 -0.96 118.68 127.84 3ek1 s LEU 355 Ca 0.12 -2.72 0.24 0.00 -0.22 0.00 0.00 54.13 51.54 3ek1 s LEU 355 Cb -0.12 -2.32 0.92 0.00 0.50 0.00 0.00 46.19 45.18 3ek1 s LEU 355 CO 0.02 -0.72 1.72 2.30 -1.32 0.00 0.00 176.35 178.35 3ek1 n ILE 356 N 4.39 0.75 -3.54 6.68 -5.35 -0.63 -4.82 119.36 116.85 3ek1 n ILE 356 Ca 0.25 0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 62.67 3ek1 n ILE 356 Cb 0.45 -0.98 -0.05 0.00 -1.74 0.00 0.00 39.64 37.32 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 -3.23 0.00 0.00 7.28 -1.32 -1.19 -4.98 115.64 112.20 3ek1 s THR 357 Ca 0.06 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 3ek1 s THR 357 Cb 0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.09 3ek1 s THR 357 CO 0.44 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 3ek1 n GLY 358 N 0.78 1.18 0.80 6.08 0.00 -1.25 -1.92 105.19 110.86 3ek1 n GLY 358 Ca -0.15 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.02 3.22 -0.02 0.00 -0.72 -4.80 105.19 103.88 3ek1 n GLY 359 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.52 0.68 0.28 1.61 -2.85 -1.26 -4.94 119.74 110.74 3ek1 s LYS 360 Ca 0.00 -0.31 -0.29 0.00 -1.00 0.00 0.00 55.97 54.36 3ek1 s LYS 360 Cb 0.00 0.30 -0.13 0.00 -2.06 0.00 0.00 37.83 35.93 3ek1 s LYS 360 CO 0.00 -0.19 1.22 0.39 0.10 0.00 0.00 175.35 176.87 3ek1 n GLU 361 N 1.11 1.76 -0.18 1.78 4.71 -1.26 -1.44 120.64 127.12 3ek1 n GLU 361 Ca -0.21 0.62 0.05 0.00 -0.01 0.00 0.00 57.16 57.61 3ek1 n GLU 361 Cb 0.57 -2.15 0.14 0.00 -1.01 0.00 0.00 31.44 28.99 3ek1 n GLU 361 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3ek1 n LEU 362 N 1.40 2.86 0.00 -4.62 4.77 -0.95 -4.85 117.00 115.61 3ek1 n LEU 362 Ca 0.09 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 3ek1 n LEU 362 Cb 0.32 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ek1 n LEU 362 CO 0.62 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 3ek1 n GLY 363 N 0.07 0.82 7.00 -0.72 0.00 -1.25 -4.88 105.19 106.23 3ek1 n GLY 363 Ca 0.11 -1.66 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 0.99 3.28 1.11 -0.02 0.00 -1.26 -1.84 105.19 107.45 3ek1 n GLY 364 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3ek1 n GLY 364 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ek1 n LEU 365 N 0.00 3.68 -4.77 0.99 4.77 -1.26 -4.96 117.00 115.45 3ek1 n LEU 365 Ca 0.00 -2.08 -0.38 0.00 -0.03 0.00 0.00 56.01 53.52 3ek1 n LEU 365 Cb 0.00 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 3ek1 n LEU 365 CO 0.00 0.87 0.64 -0.36 -1.33 0.00 0.00 177.39 177.21 3ek1 s PHE 366 N -1.15 3.77 -0.16 -1.77 0.08 -0.77 -0.54 117.98 117.44 3ek1 s PHE 366 Ca 0.40 1.80 -0.10 0.00 0.12 0.00 0.00 56.93 59.15 3ek1 s PHE 366 Cb 0.22 -2.92 0.05 0.00 -0.57 0.00 0.00 43.02 39.80 3ek1 s PHE 366 CO 0.25 0.28 0.41 0.12 -0.10 0.00 0.00 175.22 176.18 3ek1 s PHE 367 N -1.50 -0.56 -0.09 0.36 5.36 -1.26 -2.25 117.98 118.05 3ek1 s PHE 367 Ca 0.47 1.23 -0.27 0.00 -0.96 0.00 0.00 56.93 57.40 3ek1 s PHE 367 Cb -0.20 0.23 -0.02 0.00 -0.34 0.00 0.00 43.02 42.69 3ek1 s PHE 367 CO 0.26 -0.31 0.90 -2.00 -1.46 0.00 0.00 175.22 172.61 3ek1 s GLU 368 N 1.09 4.43 -0.12 10.12 2.12 -0.52 -4.94 118.70 130.88 3ek1 s GLU 368 Ca -0.07 1.21 -0.40 0.00 0.36 0.00 0.00 54.97 56.08 3ek1 s GLU 368 Cb -0.07 -3.51 -0.17 0.00 0.26 0.00 0.00 34.13 30.64 3ek1 s GLU 368 CO -0.09 -0.18 1.47 -2.30 -0.54 0.00 0.00 175.26 173.62 3ek1 n PRO 369 N 4.53 0.85 -4.49 4.30 -0.02 -1.26 -1.76 135.00 137.15 3ek1 n PRO 369 Ca 0.05 0.31 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 3ek1 n PRO 369 Cb 0.50 -1.93 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.73 2.18 -0.01 -1.23 0.00 -0.15 -3.87 107.32 105.97 3ek1 s GLY 370 Ca 0.92 -2.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.52 3ek1 s GLY 370 CO 0.59 -1.89 0.02 -0.42 0.00 0.00 0.00 173.10 171.40 3ek1 s ILE 371 N -3.15 -0.03 -0.10 0.90 1.01 -0.81 -1.54 121.20 117.49 3ek1 s ILE 371 Ca 0.36 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.12 3ek1 s ILE 371 Cb 0.09 -0.05 -0.02 0.00 0.01 0.00 0.00 42.46 42.49 3ek1 s ILE 371 CO 0.16 0.04 -0.12 -0.76 0.00 0.00 0.00 174.94 174.27 3ek1 s LEU 372 N 0.49 2.84 0.34 2.97 1.43 0.06 -1.60 118.68 125.21 3ek1 s LEU 372 Ca -0.04 -0.23 0.08 0.00 -1.03 0.00 0.00 54.13 52.91 3ek1 s LEU 372 Cb -0.06 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 3ek1 s LEU 372 CO -0.01 0.24 0.27 0.42 0.23 0.00 0.00 176.35 177.49 3ek1 s THR 373 N -0.10 3.44 -0.64 5.49 -4.23 -0.13 -0.25 115.64 119.21 3ek1 s THR 373 Ca -0.01 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.07 3ek1 s THR 373 Cb -0.14 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3ek1 s THR 373 CO 0.03 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3ek1 n GLY 374 N -1.33 0.79 3.77 3.99 0.00 -1.22 -1.25 105.19 109.93 3ek1 n GLY 374 Ca -0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.02 2.48 0.18 1.61 1.01 -0.89 -4.37 120.40 118.39 3ek1 s VAL 375 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3ek1 s VAL 375 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3ek1 s VAL 375 CO 0.00 0.07 0.06 0.42 0.00 0.00 0.00 175.10 175.65 3ek1 s THR 376 N -1.23 0.37 0.05 3.92 -4.23 -1.26 -4.19 115.64 109.07 3ek1 s THR 376 Ca 0.57 -1.96 0.32 0.00 -1.18 0.00 0.00 61.69 59.43 3ek1 s THR 376 Cb -0.40 -2.25 0.33 0.00 1.34 0.00 0.00 72.50 71.53 3ek1 s THR 376 CO 0.52 -0.31 1.95 0.77 -0.54 0.00 0.00 174.62 177.01 3ek1 h SER 377 N 2.68 0.00 -0.30 3.99 4.64 -1.98 -1.76 113.55 120.82 3ek1 h SER 377 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3ek1 h SER 377 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3ek1 h SER 377 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 3ek1 n ASP 378 N -2.70 2.68 -4.92 4.97 5.75 -1.26 -4.79 116.55 116.29 3ek1 n ASP 378 Ca -0.01 -1.88 -0.27 0.00 -0.01 0.00 0.00 54.79 52.62 3ek1 n ASP 378 Cb 0.16 -0.19 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.61 3.17 0.12 0.11 -1.94 -0.66 -5.00 119.30 113.49 3ek1 s MET 379 Ca 0.36 0.04 -0.16 0.00 -1.71 0.00 0.00 55.69 54.22 3ek1 s MET 379 Cb 0.20 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.69 3ek1 s MET 379 CO 0.29 -0.48 1.61 1.25 -0.01 0.00 0.00 175.02 177.68 3ek1 h LEU 380 N 0.02 0.60 -1.80 -0.03 5.85 -1.90 -2.46 115.31 115.58 3ek1 h LEU 380 Ca -0.46 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.01 3ek1 h LEU 380 Cb 1.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3ek1 h LEU 380 CO 0.61 0.70 0.00 1.62 -0.34 0.00 0.00 178.44 181.03 3ek1 h VAL 381 N 0.48 0.00 0.00 1.05 3.04 -1.88 -1.15 116.25 117.79 3ek1 h VAL 381 Ca 0.12 -0.03 -0.07 0.00 -1.01 0.00 0.00 66.70 65.70 3ek1 h VAL 381 Cb 0.35 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.30 3ek1 h VAL 381 CO 0.01 0.00 -0.36 0.00 -1.01 0.00 0.00 177.57 176.21 3ek1 h ALA 382 N 2.02 1.29 0.00 3.17 0.00 -1.72 -3.33 119.26 120.69 3ek1 h ALA 382 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3ek1 h ALA 382 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ek1 h ALA 382 CO 0.00 0.44 -0.83 1.63 0.00 0.00 0.00 179.25 180.49 3ek1 n LYS 383 N -3.94 2.35 -5.02 0.00 4.76 -0.53 -5.01 118.16 110.78 3ek1 n LYS 383 Ca -0.02 -0.03 -0.29 0.00 -2.87 0.00 0.00 58.31 55.10 3ek1 n LYS 383 Cb 0.41 -0.98 -0.15 0.00 -1.84 0.00 0.00 35.03 32.47 3ek1 n LYS 383 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3ek1 s GLU 384 N -2.03 1.80 -0.12 1.97 2.12 -0.66 -5.02 118.70 116.76 3ek1 s GLU 384 Ca -0.00 -0.94 -0.29 0.00 0.36 0.00 0.00 54.97 54.09 3ek1 s GLU 384 Cb 0.04 -1.84 -0.02 0.00 0.26 0.00 0.00 34.13 32.57 3ek1 s GLU 384 CO 0.25 0.49 1.28 -1.21 -0.54 0.00 0.00 175.26 175.53 3ek1 s GLU 385 N -0.86 4.26 0.14 4.30 2.02 -1.26 -4.48 118.70 122.82 3ek1 s GLU 385 Ca 0.10 1.72 -0.17 0.00 0.02 0.00 0.00 54.97 56.63 3ek1 s GLU 385 Cb -0.09 -3.71 -0.01 0.00 0.10 0.00 0.00 34.13 30.42 3ek1 s GLU 385 CO 0.00 -0.64 1.76 1.15 0.02 0.00 0.00 175.26 177.55 3ek1 h THR 386 N 5.33 1.13 -4.05 3.63 2.02 -1.91 -3.47 112.91 115.60 3ek1 h THR 386 Ca -0.30 -0.32 -0.37 0.00 0.77 0.00 0.00 66.41 66.20 3ek1 h THR 386 Cb 1.13 0.68 0.06 0.00 -1.74 0.00 0.00 68.15 68.28 3ek1 h THR 386 CO 0.94 0.13 -0.55 0.33 0.37 0.00 0.00 175.52 176.75 3ek1 n PHE 387 N -4.78 -1.77 -4.05 3.16 -0.00 -1.26 -4.48 117.46 104.28 3ek1 n PHE 387 Ca -0.00 0.47 -0.14 0.00 -0.00 0.00 0.00 57.45 57.78 3ek1 n PHE 387 Cb 0.06 -4.17 -0.03 0.00 -0.00 0.00 0.00 39.48 35.35 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3ek1 s GLY 388 N -2.73 1.32 -1.39 7.13 0.00 -1.11 -4.23 107.32 106.31 3ek1 s GLY 388 Ca 0.27 -1.40 -0.08 0.00 0.00 0.00 0.00 44.72 43.51 3ek1 s GLY 388 CO 0.33 -0.89 2.86 -1.55 0.00 0.00 0.00 173.10 173.85 3ek1 n PRO 389 N -0.56 3.77 -4.22 2.90 -0.04 -1.02 -4.45 135.00 131.39 3ek1 n PRO 389 Ca -0.00 -2.44 -0.28 0.00 -0.04 0.00 0.00 63.50 60.73 3ek1 n PRO 389 Cb 0.61 -2.67 -0.17 0.00 -0.04 0.00 0.00 33.50 31.23 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 -0.52 1.56 -0.47 1.53 2.96 -1.26 -0.98 118.68 121.50 3ek1 s LEU 390 Ca 0.65 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 3ek1 s LEU 390 Cb 0.20 -1.02 0.09 0.00 0.50 0.00 0.00 46.19 45.96 3ek1 s LEU 390 CO -0.07 -0.04 0.38 0.00 -1.32 0.00 0.00 176.35 175.31 3ek1 s ALA 391 N 1.26 3.51 -0.28 5.97 0.00 -0.59 -4.98 121.76 126.65 3ek1 s ALA 391 Ca -0.02 -2.24 -0.20 0.00 0.00 0.00 0.00 51.96 49.51 3ek1 s ALA 391 Cb -0.14 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3ek1 s ALA 391 CO -0.05 -1.78 0.61 -1.25 0.00 0.00 0.00 175.76 173.29 3ek1 s PRO 392 N 1.56 4.02 -0.41 0.00 0.04 -1.26 -0.76 135.00 138.19 3ek1 s PRO 392 Ca 0.04 0.41 -0.17 0.00 0.04 0.00 0.00 61.00 61.31 3ek1 s PRO 392 Cb -0.25 -3.68 0.02 0.00 0.04 0.00 0.00 34.50 30.62 3ek1 s PRO 392 CO 0.04 -0.47 0.45 -0.51 0.04 0.00 0.00 177.00 176.56 3ek1 s LEU 393 N 2.51 4.76 -0.09 -3.56 1.43 0.66 -2.06 118.68 122.33 3ek1 s LEU 393 Ca 0.25 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3ek1 s LEU 393 Cb -0.15 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.60 3ek1 s LEU 393 CO 0.10 -0.57 0.28 -0.36 0.23 0.00 0.00 176.35 176.03 3ek1 s PHE 394 N 2.20 3.60 0.19 0.29 0.08 0.18 -2.10 117.98 122.42 3ek1 s PHE 394 Ca 0.13 0.71 -0.10 0.00 0.12 0.00 0.00 56.93 57.80 3ek1 s PHE 394 Cb -0.17 -2.19 -0.07 0.00 -0.57 0.00 0.00 43.02 40.03 3ek1 s PHE 394 CO 0.14 0.55 0.51 0.00 -0.10 0.00 0.00 175.22 176.32 3ek1 s ALA 395 N -0.57 3.61 0.06 5.36 0.00 -1.26 -0.05 121.76 128.91 3ek1 s ALA 395 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.79 3ek1 s ALA 395 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3ek1 s ALA 395 CO 0.07 0.53 0.09 -0.59 0.00 0.00 0.00 175.76 175.86 3ek1 s PHE 396 N -1.71 0.30 -0.24 0.00 -0.12 -0.75 -4.84 117.98 110.62 3ek1 s PHE 396 Ca 0.44 -0.75 -0.17 0.00 -0.05 0.00 0.00 56.93 56.40 3ek1 s PHE 396 Cb -0.12 -0.20 -0.14 0.00 -0.63 0.00 0.00 43.02 41.93 3ek1 s PHE 396 CO 0.21 -0.45 -0.12 -0.25 -0.05 0.00 0.00 175.22 174.57 3ek1 n ASP 397 N 0.17 1.91 -4.43 1.98 8.00 -1.26 -1.28 116.55 121.63 3ek1 n ASP 397 Ca -0.15 0.39 -0.26 0.00 0.71 0.00 0.00 54.79 55.47 3ek1 n ASP 397 Cb 0.61 -0.88 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.46 2.39 0.21 -3.53 -4.23 -1.26 -4.80 115.64 101.96 3ek1 s THR 398 Ca -0.33 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 57.98 3ek1 s THR 398 Cb 0.10 -2.17 0.19 0.00 1.34 0.00 0.00 72.50 71.96 3ek1 s THR 398 CO 0.51 -0.17 1.68 -0.08 -0.54 0.00 0.00 174.62 176.02 3ek1 h GLU 399 N 3.02 0.17 -0.66 3.99 4.81 -1.99 -0.59 114.58 123.33 3ek1 h GLU 399 Ca -0.45 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3ek1 h GLU 399 Cb 1.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3ek1 h GLU 399 CO 0.50 0.11 0.38 0.93 -0.73 0.00 0.00 179.01 180.20 3ek1 h GLU 400 N 0.18 0.91 -0.52 1.92 3.07 -1.99 -1.10 114.58 117.04 3ek1 h GLU 400 Ca 0.33 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 3ek1 h GLU 400 Cb 0.52 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3ek1 h GLU 400 CO -0.48 0.67 -0.02 1.05 -1.40 0.00 0.00 179.01 178.83 3ek1 h GLU 401 N 0.90 0.93 -0.01 2.33 4.11 -1.79 -2.41 114.58 118.64 3ek1 h GLU 401 Ca 0.23 -0.31 -0.12 0.00 0.07 0.00 0.00 59.36 59.24 3ek1 h GLU 401 Cb 0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3ek1 h GLU 401 CO -0.04 0.96 -0.53 -0.24 0.07 0.00 0.00 179.01 179.23 3ek1 h VAL 402 N 0.80 1.38 -0.23 -1.06 3.04 -0.86 -1.38 116.25 117.95 3ek1 h VAL 402 Ca 0.15 -1.83 -0.03 0.00 -1.01 0.00 0.00 66.70 63.97 3ek1 h VAL 402 Cb 0.55 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 3ek1 h VAL 402 CO 0.03 0.53 0.02 0.40 -1.01 0.00 0.00 177.57 177.54 3ek1 h ILE 403 N 0.03 1.24 -0.60 3.17 2.04 -1.13 0.40 117.51 122.66 3ek1 h ILE 403 Ca -0.00 -0.81 0.06 0.00 1.00 0.00 0.00 64.86 65.11 3ek1 h ILE 403 Cb 0.95 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 3ek1 h ILE 403 CO 0.07 0.25 0.31 0.00 0.00 0.00 0.00 178.15 178.79 3ek1 h ALA 404 N 0.83 0.79 -0.17 1.87 0.00 -1.25 -1.67 119.26 119.66 3ek1 h ALA 404 Ca 0.07 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 404 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ek1 h ALA 404 CO 0.01 -0.03 -0.49 1.96 0.00 0.00 0.00 179.25 180.70 3ek1 h GLN 405 N 0.59 0.64 -0.61 0.00 4.20 -1.15 -2.53 115.11 116.24 3ek1 h GLN 405 Ca 0.27 -0.46 0.13 0.00 0.06 0.00 0.00 58.65 58.65 3ek1 h GLN 405 Cb 0.19 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 3ek1 h GLN 405 CO -0.19 1.07 0.04 0.00 -0.67 0.00 0.00 178.83 179.08 3ek1 h ALA 406 N 0.56 0.64 -0.01 3.87 0.00 -0.60 -2.47 119.26 121.27 3ek1 h ALA 406 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ek1 h ALA 406 Cb 1.11 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3ek1 h ALA 406 CO 0.11 -0.37 -0.03 0.09 0.00 0.00 0.00 179.25 179.04 3ek1 n ASN 407 N -5.24 0.67 -3.87 0.00 3.02 -0.66 -4.55 115.26 104.64 3ek1 n ASN 407 Ca 0.09 -1.08 -0.43 0.00 -0.03 0.00 0.00 54.58 53.14 3ek1 n ASN 407 Cb 0.35 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 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 -0.56 5.11 -3.47 6.41 2.03 -0.93 -4.81 116.55 120.34 3ek1 n ASP 408 Ca 0.20 -3.12 -0.12 0.00 0.52 0.00 0.00 54.79 52.27 3ek1 n ASP 408 Cb 0.24 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 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 0.32 0.00 -0.72 5.18 -1.32 -1.26 -4.99 115.64 112.86 3ek1 s THR 409 Ca 0.39 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.11 3ek1 s THR 409 Cb 0.09 -1.00 0.24 0.00 -1.51 0.00 0.00 72.50 70.32 3ek1 s THR 409 CO 0.01 0.00 1.72 2.30 -2.21 0.00 0.00 174.62 176.44 3ek1 n ILE 410 N 0.00 0.67 -2.91 5.08 -5.35 -1.26 -4.91 119.36 110.68 3ek1 n ILE 410 Ca -0.15 0.04 -0.19 0.00 -0.27 0.00 0.00 62.75 62.18 3ek1 n ILE 410 Cb 0.62 -0.87 0.04 0.00 -1.74 0.00 0.00 39.64 37.70 3ek1 n ILE 410 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3ek1 s PHE 411 N -3.15 2.17 -0.32 4.28 0.08 -1.26 -1.65 117.98 118.13 3ek1 s PHE 411 Ca 0.08 -0.44 0.02 0.00 0.12 0.00 0.00 56.93 56.71 3ek1 s PHE 411 Cb 0.12 -2.45 0.12 0.00 -0.57 0.00 0.00 43.02 40.23 3ek1 s PHE 411 CO 0.45 -0.91 1.13 0.41 -0.10 0.00 0.00 175.22 176.21 3ek1 n GLY 412 N -2.19 -0.93 0.00 4.36 0.00 -1.23 -4.79 105.19 100.41 3ek1 n GLY 412 Ca 0.12 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3ek1 n GLY 412 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ek1 n LEU 413 N -0.29 0.27 -4.50 0.99 7.94 -1.26 -0.95 117.00 119.19 3ek1 n LEU 413 Ca -0.23 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.38 3ek1 n LEU 413 Cb 0.67 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.51 3ek1 n LEU 413 CO -0.11 0.00 -0.48 0.00 -1.11 0.00 0.00 177.39 175.69 3ek1 s ALA 414 N -4.04 2.73 0.13 1.96 0.00 -1.26 -1.87 121.76 119.40 3ek1 s ALA 414 Ca 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 3ek1 s ALA 414 Cb 0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3ek1 s ALA 414 CO 0.00 0.56 0.19 0.00 0.00 0.00 0.00 175.76 176.51 3ek1 s ALA 415 N -1.28 0.14 0.00 0.00 0.00 -0.00 -4.13 121.76 116.50 3ek1 s ALA 415 Ca 0.19 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 3ek1 s ALA 415 Cb -0.10 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.72 3ek1 s ALA 415 CO 0.11 -0.55 0.03 0.71 0.00 0.00 0.00 175.76 176.05 3ek1 s TYR 416 N -3.95 0.09 0.06 0.00 2.02 -0.35 -0.55 117.35 114.68 3ek1 s TYR 416 Ca 0.14 -0.19 -0.14 0.00 -0.37 0.00 0.00 57.07 56.51 3ek1 s TYR 416 Cb 0.05 -0.08 0.02 0.00 -0.40 0.00 0.00 41.96 41.55 3ek1 s TYR 416 CO -0.04 -0.13 0.32 -0.59 -1.57 0.00 0.00 175.55 173.54 3ek1 s PHE 417 N -0.81 -0.11 -0.14 2.71 -0.12 0.04 -0.65 117.98 118.90 3ek1 s PHE 417 Ca -0.09 -0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 56.71 3ek1 s PHE 417 Cb -0.05 0.12 0.04 0.00 -0.63 0.00 0.00 43.02 42.49 3ek1 s PHE 417 CO -0.00 -0.54 -0.05 0.71 -0.05 0.00 0.00 175.22 175.28 3ek1 s TYR 418 N -2.87 1.53 -0.04 3.49 2.02 0.65 -0.11 117.35 122.01 3ek1 s TYR 418 Ca -0.03 -0.90 -0.29 0.00 -0.37 0.00 0.00 57.07 55.48 3ek1 s TYR 418 Cb 0.00 -1.24 0.07 0.00 -0.40 0.00 0.00 41.96 40.39 3ek1 s TYR 418 CO -0.05 -0.56 0.65 -0.08 -1.57 0.00 0.00 175.55 173.93 3ek1 s THR 419 N 1.69 0.00 -0.81 -0.71 -1.32 -1.26 -2.67 115.64 110.56 3ek1 s THR 419 Ca 0.02 -0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.65 3ek1 s THR 419 Cb -0.14 -0.97 -0.21 0.00 -1.51 0.00 0.00 72.50 69.67 3ek1 s THR 419 CO -0.08 -0.02 0.76 -0.62 -2.21 0.00 0.00 174.62 172.45 3ek1 n GLU 420 N 0.88 0.90 -2.77 7.08 -0.58 -1.17 -4.83 120.64 120.15 3ek1 n GLU 420 Ca -0.19 -0.01 -0.42 0.00 -0.42 0.00 0.00 57.16 56.12 3ek1 n GLU 420 Cb 0.57 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 30.04 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 -2.84 7.21 0.12 1.62 3.84 -1.26 -4.97 114.94 118.66 3ek1 s ASN 421 Ca 0.06 1.48 -0.23 0.00 0.21 0.00 0.00 52.86 54.38 3ek1 s ASN 421 Cb 0.14 -2.53 -0.06 0.00 -0.55 0.00 0.00 41.25 38.24 3ek1 s ASN 421 CO 0.76 -0.34 1.69 0.15 -2.79 0.00 0.00 177.10 176.57 3ek1 h PHE 422 N 6.99 -0.29 -0.58 0.43 3.57 -2.00 -1.99 116.94 123.08 3ek1 h PHE 422 Ca -0.35 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 3ek1 h PHE 422 Cb 1.17 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 40.02 3ek1 h PHE 422 CO 0.69 -0.17 0.16 0.77 -2.23 0.00 0.00 178.31 177.54 3ek1 h SER 423 N -0.17 0.82 -0.34 0.41 0.02 -2.01 -2.52 113.55 109.76 3ek1 h SER 423 Ca 0.06 -0.14 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 3ek1 h SER 423 Cb 0.25 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3ek1 h SER 423 CO -0.15 0.78 -0.12 -0.09 -1.14 0.00 0.00 176.83 176.11 3ek1 h ARG 424 N 0.85 0.78 -0.80 3.45 2.43 -1.95 -1.87 114.38 117.27 3ek1 h ARG 424 Ca 0.19 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3ek1 h ARG 424 Cb 0.27 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 3ek1 h ARG 424 CO -0.01 0.87 0.50 0.00 -1.51 0.00 0.00 179.97 179.82 3ek1 h ALA 425 N 1.16 1.08 0.45 2.80 0.00 -0.94 -0.49 119.26 123.31 3ek1 h ALA 425 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 425 Cb 0.61 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ek1 h ALA 425 CO 0.04 0.27 -0.21 0.82 0.00 0.00 0.00 179.25 180.16 3ek1 h ILE 426 N 0.94 0.54 0.12 0.00 1.08 -1.28 -1.68 117.51 117.23 3ek1 h ILE 426 Ca 0.34 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.53 3ek1 h ILE 426 Cb 0.10 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 3ek1 h ILE 426 CO -0.15 0.05 -0.21 0.03 -0.69 0.00 0.00 178.15 177.19 3ek1 h ARG 427 N -0.78 -0.38 -0.22 2.37 3.08 -1.15 -1.63 114.38 115.67 3ek1 h ARG 427 Ca -0.06 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3ek1 h ARG 427 Cb 0.54 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3ek1 h ARG 427 CO 0.10 -0.25 -0.25 0.28 -1.07 0.00 0.00 179.97 178.77 3ek1 h VAL 428 N -0.39 1.32 -0.73 2.04 2.07 -1.17 0.72 116.25 120.11 3ek1 h VAL 428 Ca 0.02 -1.43 0.01 0.00 0.82 0.00 0.00 66.70 66.12 3ek1 h VAL 428 Cb 0.41 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 3ek1 h VAL 428 CO -0.11 0.44 0.47 0.77 0.02 0.00 0.00 177.57 179.17 3ek1 h SER 429 N 0.26 0.84 0.85 0.57 4.64 -1.28 -1.71 113.55 117.72 3ek1 h SER 429 Ca 0.03 -0.03 -0.24 0.00 -0.47 0.00 0.00 61.79 61.09 3ek1 h SER 429 Cb 0.82 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 3ek1 h SER 429 CO 0.06 0.62 -1.10 -0.33 -0.87 0.00 0.00 176.83 175.21 3ek1 h GLU 430 N 0.99 0.11 0.00 4.77 5.08 -1.13 -3.31 114.58 121.09 3ek1 h GLU 430 Ca 0.27 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3ek1 h GLU 430 Cb -0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3ek1 h GLU 430 CO -0.06 1.09 -0.22 0.00 -1.00 0.00 0.00 179.01 178.83 3ek1 h ALA 431 N 0.83 0.95 -2.22 3.43 0.00 -0.33 -3.44 119.26 118.47 3ek1 h ALA 431 Ca -0.06 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.09 3ek1 h ALA 431 Cb 1.85 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 3ek1 h ALA 431 CO 0.16 0.27 0.71 -0.51 0.00 0.00 0.00 179.25 179.89 3ek1 s LEU 432 N -6.56 4.22 -1.39 0.00 1.43 -0.69 -4.92 118.68 110.77 3ek1 s LEU 432 Ca 0.02 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.61 3ek1 s LEU 432 Cb 0.09 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.85 3ek1 s LEU 432 CO 0.65 -0.59 2.08 -0.62 0.23 0.00 0.00 176.35 178.10 3ek1 n GLU 433 N 5.61 3.14 -4.02 1.70 1.02 -1.26 -4.87 120.64 121.96 3ek1 n GLU 433 Ca 0.11 -2.97 -0.11 0.00 -0.02 0.00 0.00 57.16 54.17 3ek1 n GLU 433 Cb 0.47 -3.16 -0.11 0.00 -0.02 0.00 0.00 31.44 28.61 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 2.21 0.43 0.28 -0.32 2.02 -1.26 -4.41 117.35 116.30 3ek1 s TYR 434 Ca 0.45 -0.48 0.11 0.00 -0.37 0.00 0.00 57.07 56.77 3ek1 s TYR 434 Cb 0.12 -0.27 0.40 0.00 -0.40 0.00 0.00 41.96 41.81 3ek1 s TYR 434 CO -0.05 -0.13 1.64 0.78 -1.57 0.00 0.00 175.55 176.22 3ek1 h GLY 435 N 4.70 0.00 -5.48 0.71 0.00 -0.76 -3.45 103.07 98.80 3ek1 h GLY 435 Ca -0.33 -0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.62 3ek1 h GLY 435 CO 0.42 0.00 -0.77 1.06 0.00 0.00 0.00 176.54 177.25 3ek1 s MET 436 N -3.69 0.68 -0.07 4.80 -1.94 -0.78 -4.81 119.30 113.49 3ek1 s MET 436 Ca -0.02 -0.24 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 3ek1 s MET 436 Cb 0.13 -0.66 0.03 0.00 2.01 0.00 0.00 34.83 36.34 3ek1 s MET 436 CO 0.76 0.11 -0.01 0.08 -0.01 0.00 0.00 175.02 175.95 3ek1 s VAL 437 N 0.05 0.45 -0.12 -6.03 1.01 -1.26 -0.82 120.40 113.68 3ek1 s VAL 437 Ca -0.00 0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3ek1 s VAL 437 Cb -0.06 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 3ek1 s VAL 437 CO -0.00 0.27 0.36 -0.83 0.00 0.00 0.00 175.10 174.90 3ek1 s GLY 438 N 1.84 2.30 -0.19 4.51 0.00 0.29 -4.98 107.32 111.09 3ek1 s GLY 438 Ca 0.03 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.41 3ek1 s GLY 438 CO -0.05 0.47 -0.18 -1.58 0.00 0.00 0.00 173.10 171.77 3ek1 s HIS 439 N 0.26 2.84 -1.67 1.90 2.46 -1.26 -0.78 115.29 119.04 3ek1 s HIS 439 Ca 0.20 -1.65 0.00 0.00 0.47 0.00 0.00 55.06 54.09 3ek1 s HIS 439 Cb -0.14 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.37 3ek1 s HIS 439 CO 0.07 -0.79 0.00 0.09 -2.47 0.00 0.00 174.74 171.64 3ek1 n ASN 440 N 4.62 -5.03 -3.70 9.88 3.02 0.84 -4.96 115.26 119.93 3ek1 n ASN 440 Ca -0.20 0.20 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 3ek1 n ASN 440 Cb 0.49 -4.32 -0.08 0.00 -0.61 0.00 0.00 39.78 35.26 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 -2.75 0.03 -2.94 3.41 -1.32 -1.26 -4.98 115.64 105.83 3ek1 s THR 441 Ca 0.00 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 60.51 3ek1 s THR 441 Cb 0.00 -0.70 0.19 0.00 -1.51 0.00 0.00 72.50 70.47 3ek1 s THR 441 CO 0.00 -0.11 1.26 0.61 -2.21 0.00 0.00 174.62 174.17 3ek1 n GLY 442 N 1.76 0.92 3.03 6.08 0.00 -1.26 -4.64 105.19 111.07 3ek1 n GLY 442 Ca -0.18 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 3ek1 n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 443 N -2.03 3.82 0.00 0.99 1.43 -1.26 -4.42 118.68 117.21 3ek1 s LEU 443 Ca 0.28 -1.67 0.00 0.00 -1.03 0.00 0.00 54.13 51.71 3ek1 s LEU 443 Cb 0.20 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3ek1 s LEU 443 CO 0.32 -0.27 0.57 2.30 0.23 0.00 0.00 176.35 179.49 3ek1 n ILE 444 N 4.40 0.19 -2.95 -0.59 -5.35 -1.26 -5.05 119.36 108.75 3ek1 n ILE 444 Ca -0.07 -0.57 -0.40 0.00 -0.27 0.00 0.00 62.75 61.44 3ek1 n ILE 444 Cb 0.42 0.95 -0.04 0.00 -1.74 0.00 0.00 39.64 39.23 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 -0.19 7.06 0.23 7.28 0.01 -1.26 -5.02 113.70 121.82 3ek1 s SER 445 Ca 0.00 1.29 -0.14 0.00 1.31 0.00 0.00 55.95 58.41 3ek1 s SER 445 Cb 0.00 -2.45 0.05 0.00 0.21 0.00 0.00 66.02 63.83 3ek1 s SER 445 CO 0.00 -0.19 0.70 -0.46 0.41 0.00 0.00 173.24 173.71 3ek1 n ASN 446 N 4.01 -1.59 0.00 2.44 0.23 -1.26 -5.05 115.26 114.03 3ek1 n ASN 446 Ca 0.01 -2.00 0.11 0.00 -0.53 0.00 0.00 54.58 52.17 3ek1 n ASN 446 Cb 0.51 2.63 0.06 0.00 -2.08 0.00 0.00 39.78 40.90 3ek1 n ASN 446 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3ek1 n GLU 447 N -0.48 0.00 0.03 -3.83 0.00 -1.26 -4.54 120.64 110.56 3ek1 n GLU 447 Ca -0.05 -0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.23 3ek1 n GLU 447 Cb 0.46 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.51 0.19 -4.12 3.84 0.24 -1.26 -0.56 118.33 115.16 3ek1 n VAL 448 Ca 0.05 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.67 3ek1 n VAL 448 Cb 0.33 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.65 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 -3.40 3.56 -0.15 2.33 0.00 -1.26 -3.97 121.76 118.86 3ek1 s ALA 449 Ca -0.03 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.36 3ek1 s ALA 449 Cb 0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3ek1 s ALA 449 CO 0.86 0.32 0.52 -1.25 0.00 0.00 0.00 175.76 176.21 3ek1 s PRO 450 N -3.64 4.28 -0.13 0.00 0.04 -1.26 -3.71 135.00 130.57 3ek1 s PRO 450 Ca 0.32 0.48 -0.01 0.00 0.04 0.00 0.00 61.00 61.83 3ek1 s PRO 450 Cb -0.08 -3.50 -0.02 0.00 0.04 0.00 0.00 34.50 30.94 3ek1 s PRO 450 CO 0.24 -0.00 -0.10 -0.06 0.04 0.00 0.00 177.00 177.12 3ek1 s PHE 451 N 1.14 2.89 -4.09 0.56 0.08 -0.18 -4.89 117.98 113.49 3ek1 s PHE 451 Ca 0.26 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.84 3ek1 s PHE 451 Cb -0.15 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3ek1 s PHE 451 CO 0.10 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 3ek1 n GLY 452 N 3.42 -2.01 3.54 4.36 0.00 -1.26 -0.71 105.19 112.52 3ek1 n GLY 452 Ca -0.18 -1.21 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 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 2.33 0.44 -0.02 0.00 -1.26 -4.16 107.32 104.65 3ek1 s GLY 453 Ca 0.00 -2.03 0.06 0.00 0.00 0.00 0.00 44.72 42.75 3ek1 s GLY 453 CO 0.00 -1.95 0.14 -1.34 0.00 0.00 0.00 173.10 169.94 3ek1 s VAL 454 N -3.03 2.00 0.00 1.40 -7.23 -0.13 -4.28 120.40 109.13 3ek1 s VAL 454 Ca 0.34 -1.79 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3ek1 s VAL 454 Cb 0.09 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3ek1 s VAL 454 CO 0.16 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.24 3ek1 n LYS 455 N -1.23 0.00 -0.12 4.82 5.02 -1.26 -1.47 118.16 123.91 3ek1 n LYS 455 Ca -0.05 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.27 3ek1 n LYS 455 Cb 0.65 0.00 0.08 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 14.00 1.54 0.00 1.97 6.02 -0.66 -3.73 117.38 136.52 3ek1 n GLN 456 Ca 0.00 -0.68 0.14 0.00 -0.01 0.00 0.00 57.00 56.45 3ek1 n GLN 456 Cb 0.00 -1.26 0.57 0.00 1.02 0.00 0.00 30.24 30.57 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 0.06 0.26 0.00 1.08 7.64 -0.54 -4.42 113.62 117.69 3ek1 n SER 457 Ca 0.06 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.82 3ek1 n SER 457 Cb 0.22 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 1.39 0.88 2.84 0.23 0.00 -1.24 -0.34 105.19 108.95 3ek1 n GLY 458 Ca 0.11 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 1.59 0.00 0.99 1.43 0.67 -4.53 118.68 118.83 3ek1 s LEU 459 Ca 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 3ek1 s LEU 459 Cb 0.00 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.12 3ek1 s LEU 459 CO 0.00 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.14 3ek1 n GLY 460 N 3.57 -0.48 3.04 -3.19 0.00 -1.26 -1.26 105.19 105.60 3ek1 n GLY 460 Ca -0.19 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 3ek1 n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 461 N -1.51 0.46 0.16 1.61 1.81 -1.26 -4.40 118.95 115.82 3ek1 s ARG 461 Ca 0.00 -0.78 0.10 0.00 -1.72 0.00 0.00 55.73 53.33 3ek1 s ARG 461 Cb 0.00 -0.05 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 3ek1 s ARG 461 CO 0.00 -0.02 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.16 3ek1 s GLU 462 N -1.95 1.37 0.14 3.54 2.02 0.11 -4.46 118.70 119.46 3ek1 s GLU 462 Ca -0.09 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.50 3ek1 s GLU 462 Cb -0.07 -1.66 0.00 0.00 0.10 0.00 0.00 34.13 32.50 3ek1 s GLU 462 CO -0.02 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.04 3ek1 n GLY 463 N 0.57 -1.95 0.59 -1.39 0.00 -1.26 -1.01 105.19 100.74 3ek1 n GLY 463 Ca -0.15 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.75 -3.50 -0.66 1.61 3.41 0.27 -2.25 113.62 109.76 3ek1 n SER 464 Ca -0.01 0.28 0.51 0.00 -0.26 0.00 0.00 58.87 59.39 3ek1 n SER 464 Cb 0.21 -1.81 0.80 0.00 -0.26 0.00 0.00 64.21 63.16 3ek1 n SER 464 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3ek1 h LYS 465 N -0.55 0.00 -0.00 4.33 3.64 -1.90 -2.80 116.57 119.30 3ek1 h LYS 465 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ek1 h LYS 465 Cb 0.54 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3ek1 h LYS 465 CO 0.01 0.00 -0.80 0.66 -2.27 0.00 0.00 179.45 177.05 3ek1 n TYR 466 N -4.05 0.00 -0.03 1.91 4.01 -1.26 -4.56 117.16 113.19 3ek1 n TYR 466 Ca 0.43 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 58.00 3ek1 n TYR 466 Cb 1.91 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 40.85 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 4.96 0.87 2.00 2.72 0.00 -1.16 -3.29 103.07 109.17 3ek1 h GLY 467 Ca 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 47.33 46.03 3ek1 h GLY 467 CO 0.00 1.07 -0.50 1.19 0.00 0.00 0.00 176.54 178.30 3ek1 h ILE 468 N 0.55 1.29 0.00 2.60 2.10 -1.80 -2.87 117.51 119.38 3ek1 h ILE 468 Ca -0.04 -1.77 -0.00 0.00 1.08 0.00 0.00 64.86 64.13 3ek1 h ILE 468 Cb 1.37 1.97 -0.00 0.00 -1.09 0.00 0.00 36.82 39.07 3ek1 h ILE 468 CO 0.15 0.49 -0.00 1.05 -1.08 0.00 0.00 178.15 178.77 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.86 0.20 114.58 119.22 3ek1 h GLU 469 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3ek1 h GLU 469 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3ek1 h GLU 469 CO 0.07 0.00 0.00 0.93 0.07 0.00 0.00 179.01 180.08 3ek1 h GLU 470 N 0.00 0.00 -0.16 1.06 4.39 -1.69 -2.39 114.58 115.79 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 0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 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 -2.41 0.36 -4.32 4.33 4.01 0.68 -4.95 117.16 114.86 3ek1 n TYR 471 Ca 0.01 -0.70 -0.26 0.00 -0.16 0.00 0.00 57.90 56.80 3ek1 n TYR 471 Cb 0.21 -0.13 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 3ek1 n TYR 471 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ek1 s LEU 472 N -1.84 2.31 -0.09 7.72 1.43 -0.90 -1.36 118.68 125.95 3ek1 s LEU 472 Ca 0.24 -0.71 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3ek1 s LEU 472 Cb 0.18 -1.00 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 3ek1 s LEU 472 CO 0.07 0.10 -0.00 -1.61 0.23 0.00 0.00 176.35 175.14 3ek1 s GLU 473 N -1.98 3.07 -0.04 1.70 0.41 0.20 -4.75 118.70 117.30 3ek1 s GLU 473 Ca 0.09 -0.42 -0.28 0.00 -0.41 0.00 0.00 54.97 53.96 3ek1 s GLU 473 Cb -0.10 -2.81 -0.03 0.00 -1.78 0.00 0.00 34.13 29.41 3ek1 s GLU 473 CO 0.05 0.65 0.88 0.99 -0.49 0.00 0.00 175.26 177.34 3ek1 s THR 474 N -0.73 4.92 -0.14 3.63 2.01 -1.26 -1.89 115.64 122.18 3ek1 s THR 474 Ca 0.11 1.84 0.02 0.00 0.31 0.00 0.00 61.69 63.97 3ek1 s THR 474 Cb -0.12 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.19 3ek1 s THR 474 CO 0.02 0.17 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.19 3ek1 s LYS 475 N 1.07 2.70 -0.25 4.92 2.20 -0.06 -5.01 119.74 125.32 3ek1 s LYS 475 Ca 0.46 -0.73 -0.15 0.00 -0.36 0.00 0.00 55.97 55.19 3ek1 s LYS 475 Cb -0.20 -2.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.81 3ek1 s LYS 475 CO 0.23 -0.10 0.37 -0.47 -0.36 0.00 0.00 175.35 175.02 3ek1 s TYR 476 N 1.05 3.29 -0.14 4.03 5.04 -1.26 -1.30 117.35 128.05 3ek1 s TYR 476 Ca -0.03 0.46 -0.01 0.00 -2.44 0.00 0.00 57.07 55.05 3ek1 s TYR 476 Cb -0.14 -2.54 -0.02 0.00 0.35 0.00 0.00 41.96 39.61 3ek1 s TYR 476 CO -0.05 -0.14 -0.11 0.42 -1.34 0.00 0.00 175.55 174.33 3ek1 s ILE 477 N 1.77 3.23 -0.28 3.14 1.01 0.18 -4.99 121.20 125.25 3ek1 s ILE 477 Ca 0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3ek1 s ILE 477 Cb -0.15 -2.38 0.04 0.00 0.01 0.00 0.00 42.46 39.98 3ek1 s ILE 477 CO 0.09 0.51 -0.03 0.00 0.00 0.00 0.00 174.94 175.51 3ek1 s SER 479 N 1.26 4.28 0.17 0.00 0.01 -0.29 -4.97 113.70 114.16 3ek1 s SER 479 Ca -0.04 -0.34 -0.19 0.00 1.31 0.00 0.00 55.95 56.69 3ek1 s SER 479 Cb -0.19 -1.71 -0.08 0.00 0.21 0.00 0.00 66.02 64.26 3ek1 s SER 479 CO -0.02 0.06 0.67 0.00 0.41 0.00 0.00 173.24 174.35 3ek1 s ALA 480 N 1.00 3.49 0.07 1.44 0.00 -1.26 -0.16 121.76 126.33 3ek1 s ALA 480 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3ek1 s ALA 480 Cb -0.15 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 3ek1 s ALA 480 CO -0.00 0.36 -0.04 1.52 0.00 0.00 0.00 175.76 177.60 3ek1 s TYR 481 N -1.36 0.65 -0.35 0.00 -0.85 -0.07 -4.98 117.35 110.39 3ek1 s TYR 481 Ca 0.38 -0.99 -0.28 0.00 -0.52 0.00 0.00 57.07 55.66 3ek1 s TYR 481 Cb -0.18 -0.43 0.02 0.00 0.38 0.00 0.00 41.96 41.75 3ek1 s TYR 481 CO 0.21 -0.29 1.01 -1.59 -1.52 0.00 0.00 175.55 173.38 3ek1 s LYS 482 N -3.79 3.97 0.00 -3.49 0.00 -1.26 -4.76 119.74 110.41 3ek1 s LYS 482 Ca 0.08 0.85 0.26 0.00 0.00 0.00 0.00 55.97 57.16 3ek1 s LYS 482 Cb 0.06 -3.77 1.56 0.00 0.00 0.00 0.00 37.83 35.69 3ek1 s LYS 482 CO -0.08 -0.93 1.92 0.54 0.00 0.00 0.00 175.35 176.79