#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ek1 s LEU 2 N 0.00 4.47 -0.94 -0.89 1.43 -1.26 -4.94 118.68 116.55 3ek1 s LEU 2 Ca 0.00 2.03 -0.22 0.00 -1.03 0.00 0.00 54.13 54.91 3ek1 s LEU 2 Cb 0.00 -3.80 -0.12 0.00 0.03 0.00 0.00 46.19 42.30 3ek1 s LEU 2 CO 0.00 -0.08 1.94 0.00 0.23 0.00 0.00 176.35 178.43 3ek1 n ALA 3 N 0.94 3.07 -2.53 4.21 0.00 -1.26 -4.94 120.51 120.00 3ek1 n ALA 3 Ca 0.00 -3.30 -0.38 0.00 0.00 0.00 0.00 53.44 49.77 3ek1 n ALA 3 Cb 0.47 -3.59 -0.06 0.00 0.00 0.00 0.00 19.45 16.27 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 3.90 4.45 0.26 0.00 1.43 -1.26 -5.00 118.68 122.46 3ek1 s LEU 4 Ca 0.59 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.63 3ek1 s LEU 4 Cb 0.10 -2.58 0.34 0.00 0.03 0.00 0.00 46.19 44.09 3ek1 s LEU 4 CO 0.11 0.29 1.70 0.11 0.23 0.00 0.00 176.35 178.79 3ek1 h LYS 5 N 4.96 0.58 -3.21 1.70 1.57 -1.97 -3.35 116.57 116.85 3ek1 h LYS 5 Ca -0.50 -0.22 -0.63 0.00 -1.87 0.00 0.00 60.65 57.43 3ek1 h LYS 5 Cb 1.21 -0.03 -0.41 0.00 0.08 0.00 0.00 32.23 33.08 3ek1 h LYS 5 CO 0.63 0.77 -0.67 0.34 -0.57 0.00 0.00 179.45 179.95 3ek1 s ASP 6 N -6.79 4.09 0.19 0.86 -1.08 -1.26 -4.96 116.67 107.72 3ek1 s ASP 6 Ca -0.08 -2.96 0.13 0.00 -0.52 0.00 0.00 52.55 49.13 3ek1 s ASP 6 Cb 0.14 -1.42 0.71 0.00 -1.46 0.00 0.00 42.92 40.89 3ek1 s ASP 6 CO 0.80 -0.23 1.40 -0.81 0.52 0.00 0.00 175.17 176.86 3ek1 n PRO 7 N 3.15 0.08 0.25 4.34 -0.04 -1.26 -1.55 135.00 139.98 3ek1 n PRO 7 Ca 0.08 0.58 0.17 0.00 -0.04 0.00 0.00 63.50 64.29 3ek1 n PRO 7 Cb 0.33 -1.78 0.83 0.00 -0.04 0.00 0.00 33.50 32.84 3ek1 n PRO 7 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3ek1 h SER 8 N 0.00 0.00 1.19 3.54 4.64 -1.95 -2.71 113.55 118.26 3ek1 h SER 8 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ek1 h SER 8 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3ek1 h SER 8 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 3ek1 h LEU 9 N 0.00 0.00 -8.85 5.97 3.38 -1.67 -3.41 115.31 110.72 3ek1 h LEU 9 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 3ek1 h LEU 9 Cb 0.18 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 3ek1 h LEU 9 CO 0.00 0.00 0.19 -0.22 0.09 0.00 0.00 178.44 178.50 3ek1 s LEU 10 N -5.98 4.17 0.15 1.67 2.96 -1.02 -3.98 118.68 116.65 3ek1 s LEU 10 Ca 0.03 0.37 0.09 0.00 -0.22 0.00 0.00 54.13 54.40 3ek1 s LEU 10 Cb 0.08 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 3ek1 s LEU 10 CO 0.55 -0.55 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.37 3ek1 s LYS 11 N 2.71 1.96 -0.03 1.98 -0.14 -1.26 -5.02 119.74 119.93 3ek1 s LYS 11 Ca 0.26 -1.22 0.07 0.00 -1.36 0.00 0.00 55.97 53.72 3ek1 s LYS 11 Cb -0.15 -2.15 0.16 0.00 -1.68 0.00 0.00 37.83 34.02 3ek1 s LYS 11 CO 0.13 0.46 1.12 -1.13 -0.76 0.00 0.00 175.35 175.16 3ek1 n SER 12 N 0.36 2.43 -4.16 2.83 3.41 -1.26 -4.83 113.62 112.40 3ek1 n SER 12 Ca -0.13 -2.25 -0.11 0.00 -0.26 0.00 0.00 58.87 56.12 3ek1 n SER 12 Cb 0.54 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 3ek1 n SER 12 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3ek1 s GLN 13 N -1.44 0.81 0.39 4.33 -0.21 -1.26 -3.67 119.66 118.61 3ek1 s GLN 13 Ca 0.14 -1.26 -0.06 0.00 0.02 0.00 0.00 55.36 54.20 3ek1 s GLN 13 Cb 0.10 -0.25 -0.05 0.00 1.00 0.00 0.00 33.01 33.81 3ek1 s GLN 13 CO 0.05 0.00 0.69 0.00 -2.12 0.00 0.00 175.29 173.91 3ek1 s LEU 15 N -4.12 4.96 -0.02 0.00 2.96 -0.91 -0.69 118.68 120.86 3ek1 s LEU 15 Ca 0.47 -1.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.21 3ek1 s LEU 15 Cb -0.10 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 3ek1 s LEU 15 CO 0.36 -0.47 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.10 3ek1 s VAL 16 N 1.52 1.12 -0.30 1.68 1.01 0.81 -1.57 120.40 124.68 3ek1 s VAL 16 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3ek1 s VAL 16 Cb -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3ek1 s VAL 16 CO 0.05 0.32 0.02 -3.20 0.00 0.00 0.00 175.10 172.30 3ek1 n ASN 17 N 2.93 0.02 0.00 3.32 5.15 -1.26 0.44 115.26 125.87 3ek1 n ASN 17 Ca -0.16 -0.25 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 3ek1 n ASN 17 Cb 0.54 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 -1.29 0.74 3.18 8.20 0.00 -1.26 -4.54 105.19 110.22 3ek1 n GLY 18 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.37 0.86 -0.26 1.61 0.52 0.17 -4.97 118.95 116.52 3ek1 s ARG 19 Ca 0.00 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 3ek1 s ARG 19 Cb 0.00 -0.68 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 3ek1 s ARG 19 CO 0.00 0.13 0.46 -1.58 0.02 0.00 0.00 175.30 174.32 3ek1 s TRP 20 N -2.03 3.27 0.25 -0.53 0.52 -1.26 -0.13 118.94 119.03 3ek1 s TRP 20 Ca 0.04 0.56 0.06 0.00 0.02 0.00 0.00 56.10 56.77 3ek1 s TRP 20 Cb -0.05 -2.65 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 3ek1 s TRP 20 CO 0.01 -0.24 -0.06 0.96 0.02 0.00 0.00 176.95 177.64 3ek1 s ILE 21 N 2.15 1.50 0.43 2.03 -4.36 0.13 -4.89 121.20 118.19 3ek1 s ILE 21 Ca 0.19 -2.12 0.08 0.00 -0.26 0.00 0.00 60.65 58.54 3ek1 s ILE 21 Cb -0.16 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 3ek1 s ILE 21 CO 0.09 -0.39 0.39 -1.81 0.24 0.00 0.00 174.94 173.47 3ek1 s ASP 22 N -3.37 5.02 0.64 4.36 1.01 -1.26 -1.42 116.67 121.64 3ek1 s ASP 22 Ca 0.27 -0.79 -0.16 0.00 0.71 0.00 0.00 52.55 52.58 3ek1 s ASP 22 Cb 0.03 -0.46 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 3ek1 s ASP 22 CO 0.10 -0.71 1.14 0.00 0.21 0.00 0.00 175.17 175.90 3ek1 s ALA 23 N -2.50 2.48 0.08 5.23 0.00 -1.26 -4.92 121.76 120.87 3ek1 s ALA 23 Ca 0.47 0.69 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 3ek1 s ALA 23 Cb -0.03 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.57 3ek1 s ALA 23 CO 0.28 -1.23 1.66 0.00 0.00 0.00 0.00 175.76 176.47 3ek1 h ALA 24 N 0.32 -0.54 0.00 0.00 0.00 -1.93 -1.45 119.26 115.66 3ek1 h ALA 24 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3ek1 h ALA 24 Cb 1.26 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3ek1 h ALA 24 CO 0.54 -0.81 0.00 -0.40 0.00 0.00 0.00 179.25 178.58 3ek1 n ASP 25 N -5.34 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 110.77 3ek1 n ASP 25 Ca -0.10 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 3ek1 n ASP 25 Cb 0.25 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 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 0.55 0.15 3.79 6.12 0.00 -0.55 -4.99 105.19 110.27 3ek1 n GLY 26 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.31 3.53 0.24 2.61 -4.23 -1.26 -4.84 115.64 110.37 3ek1 s THR 27 Ca 0.00 0.75 -0.04 0.00 -1.18 0.00 0.00 61.69 61.22 3ek1 s THR 27 Cb 0.00 -3.27 -0.02 0.00 1.34 0.00 0.00 72.50 70.55 3ek1 s THR 27 CO 0.00 -0.40 0.28 0.42 -0.54 0.00 0.00 174.62 174.38 3ek1 s THR 28 N -2.32 0.00 -0.03 3.99 -4.23 -1.26 -1.39 115.64 110.40 3ek1 s THR 28 Ca 0.66 -1.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.45 3ek1 s THR 28 Cb -0.19 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 3ek1 s THR 28 CO 0.37 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.60 3ek1 s ILE 29 N -3.97 1.77 0.06 2.99 1.01 0.31 -4.70 121.20 118.66 3ek1 s ILE 29 Ca 0.33 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 3ek1 s ILE 29 Cb 0.04 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.97 3ek1 s ILE 29 CO 0.13 0.50 0.39 -0.54 0.00 0.00 0.00 174.94 175.42 3ek1 s LYS 30 N -0.40 3.78 -0.19 2.79 1.02 -1.26 -0.74 119.74 124.74 3ek1 s LYS 30 Ca 0.05 0.21 -0.01 0.00 0.02 0.00 0.00 55.97 56.24 3ek1 s LYS 30 Cb -0.10 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3ek1 s LYS 30 CO 0.00 0.59 -0.12 0.08 -0.92 0.00 0.00 175.35 174.98 3ek1 s VAL 31 N -1.33 2.78 -0.09 3.17 1.01 0.42 -4.96 120.40 121.40 3ek1 s VAL 31 Ca 0.31 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3ek1 s VAL 31 Cb -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.02 3ek1 s VAL 31 CO 0.17 0.48 -0.23 -0.89 0.00 0.00 0.00 175.10 174.63 3ek1 s THR 32 N 1.24 1.99 -0.21 3.92 2.01 -1.26 0.52 115.64 123.86 3ek1 s THR 32 Ca 0.03 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.75 3ek1 s THR 32 Cb -0.14 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3ek1 s THR 32 CO -0.06 0.55 1.51 0.21 -0.69 0.00 0.00 174.62 176.14 3ek1 s ASN 33 N 0.33 6.54 0.00 3.53 3.84 0.14 -4.79 114.94 124.53 3ek1 s ASN 33 Ca -0.18 1.60 0.21 0.00 0.21 0.00 0.00 52.86 54.71 3ek1 s ASN 33 Cb -0.18 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 38.99 3ek1 s ASN 33 CO 0.08 -1.13 1.68 -0.81 -2.79 0.00 0.00 177.10 174.14 3ek1 n PRO 34 N 7.41 0.16 0.14 0.43 -0.04 -1.26 0.29 135.00 142.14 3ek1 n PRO 34 Ca 0.17 0.11 -0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3ek1 n PRO 34 Cb 0.45 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.65 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 2.88 1.13 0.00 0.55 0.00 -1.91 -3.40 119.26 118.51 3ek1 h ALA 35 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ek1 h ALA 35 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ek1 h ALA 35 CO 0.00 0.63 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 3ek1 n ASP 36 N -3.95 0.00 0.00 0.00 5.68 -0.95 -4.87 116.55 112.47 3ek1 n ASP 36 Ca -0.02 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 3ek1 n ASP 36 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3ek1 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ek1 n GLY 37 N 0.00 0.25 3.76 6.12 0.00 0.15 -4.97 105.19 110.48 3ek1 n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3ek1 n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 38 N -2.10 7.49 -0.17 1.61 1.04 -1.24 -4.73 113.70 115.60 3ek1 s SER 38 Ca 0.00 2.02 -0.29 0.00 0.48 0.00 0.00 55.95 58.15 3ek1 s SER 38 Cb 0.00 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.50 3ek1 s SER 38 CO 0.00 0.03 1.18 -0.69 0.98 0.00 0.00 173.24 174.75 3ek1 s VAL 39 N -1.25 4.42 0.05 5.02 1.01 -1.26 -0.68 120.40 127.71 3ek1 s VAL 39 Ca 0.44 1.72 -0.04 0.00 0.00 0.00 0.00 61.98 64.09 3ek1 s VAL 39 Cb -0.26 -4.11 -0.28 0.00 0.00 0.00 0.00 36.38 31.73 3ek1 s VAL 39 CO 0.33 -0.13 1.05 0.40 0.00 0.00 0.00 175.10 176.74 3ek1 h ILE 40 N 5.43 1.38 0.00 2.22 2.04 -0.28 -3.48 117.51 124.82 3ek1 h ILE 40 Ca -0.25 -2.97 0.00 0.00 1.00 0.00 0.00 64.86 62.64 3ek1 h ILE 40 Cb 1.10 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 40.06 3ek1 h ILE 40 CO 0.96 0.86 0.00 0.61 0.00 0.00 0.00 178.15 180.59 3ek1 n GLY 41 N 1.58 -1.85 3.29 5.37 0.00 -1.20 -4.83 105.19 107.54 3ek1 n GLY 41 Ca -0.11 -1.15 -0.17 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.41 1.46 0.16 2.61 -4.23 -1.26 -0.44 115.64 111.52 3ek1 s THR 42 Ca 0.00 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 58.58 3ek1 s THR 42 Cb 0.00 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3ek1 s THR 42 CO 0.00 -0.57 -0.17 0.68 -0.54 0.00 0.00 174.62 174.02 3ek1 s VAL 43 N -2.78 1.71 1.02 2.29 -7.23 0.08 -4.22 120.40 111.28 3ek1 s VAL 43 Ca 0.16 -1.90 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3ek1 s VAL 43 Cb -0.01 -1.80 0.20 0.00 0.56 0.00 0.00 36.38 35.33 3ek1 s VAL 43 CO 0.04 -0.36 1.10 -2.16 -0.31 0.00 0.00 175.10 173.41 3ek1 s PRO 44 N -2.84 0.24 -0.49 4.82 0.04 -1.24 0.11 135.00 135.65 3ek1 s PRO 44 Ca 0.15 0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.61 3ek1 s PRO 44 Cb -0.05 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.90 3ek1 s PRO 44 CO 0.06 -2.83 0.28 0.45 0.04 0.00 0.00 177.00 175.00 3ek1 s SER 45 N -3.58 3.83 0.79 6.66 0.15 -0.49 -4.11 113.70 116.95 3ek1 s SER 45 Ca 0.66 -2.89 -0.11 0.00 0.70 0.00 0.00 55.95 54.31 3ek1 s SER 45 Cb -0.17 -1.23 0.06 0.00 -1.71 0.00 0.00 66.02 62.98 3ek1 s SER 45 CO 0.57 -0.23 1.09 -0.76 1.20 0.00 0.00 173.24 175.11 3ek1 s LEU 46 N -0.04 2.97 0.34 3.45 1.43 -0.63 -4.73 118.68 121.47 3ek1 s LEU 46 Ca 0.19 1.80 -0.00 0.00 -1.03 0.00 0.00 54.13 55.09 3ek1 s LEU 46 Cb -0.21 -4.47 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 3ek1 s LEU 46 CO -0.03 -2.11 0.55 -0.94 0.23 0.00 0.00 176.35 174.06 3ek1 s SER 47 N -3.38 6.31 0.22 2.29 1.04 -1.26 -4.65 113.70 114.27 3ek1 s SER 47 Ca 0.61 0.48 -0.08 0.00 0.48 0.00 0.00 55.95 57.45 3ek1 s SER 47 Cb -0.17 -2.05 0.36 0.00 0.10 0.00 0.00 66.02 64.26 3ek1 s SER 47 CO 0.56 -0.29 1.69 0.58 0.98 0.00 0.00 173.24 176.76 3ek1 h VAL 48 N 0.81 0.56 -0.79 5.02 2.07 -1.96 0.35 116.25 122.30 3ek1 h VAL 48 Ca -0.49 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.04 3ek1 h VAL 48 Cb 1.21 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 3ek1 h VAL 48 CO 0.62 0.04 0.43 0.00 0.02 0.00 0.00 177.57 178.68 3ek1 h ALA 49 N 1.55 1.12 -0.36 1.67 0.00 -1.99 0.32 119.26 121.58 3ek1 h ALA 49 Ca 0.36 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 3ek1 h ALA 49 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3ek1 h ALA 49 CO -0.47 0.03 -0.12 1.15 0.00 0.00 0.00 179.25 179.83 3ek1 h THR 50 N 0.71 1.28 -0.86 0.00 2.02 -1.63 -2.58 112.91 111.84 3ek1 h THR 50 Ca 0.39 -1.21 0.04 0.00 0.77 0.00 0.00 66.41 66.40 3ek1 h THR 50 Cb 0.40 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 3ek1 h THR 50 CO -0.27 0.40 0.55 0.40 0.37 0.00 0.00 175.52 176.97 3ek1 h ILE 51 N 0.51 1.11 -0.63 3.11 1.08 0.44 0.33 117.51 123.46 3ek1 h ILE 51 Ca 0.09 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 64.23 3ek1 h ILE 51 Cb 0.65 -0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 3ek1 h ILE 51 CO 0.04 0.19 0.42 0.11 -0.69 0.00 0.00 178.15 178.22 3ek1 h LYS 52 N 1.05 0.71 -0.33 2.37 1.57 -0.24 0.32 116.57 122.02 3ek1 h LYS 52 Ca 0.35 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 3ek1 h LYS 52 Cb 0.06 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3ek1 h LYS 52 CO -0.14 0.47 -0.39 0.93 -0.57 0.00 0.00 179.45 179.75 3ek1 h GLU 53 N 0.73 0.85 -0.31 3.15 5.08 -0.60 -2.22 114.58 121.28 3ek1 h GLU 53 Ca 0.25 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3ek1 h GLU 53 Cb 0.10 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 3ek1 h GLU 53 CO -0.07 1.12 -0.06 0.00 -1.00 0.00 0.00 179.01 178.99 3ek1 h ALA 54 N 0.73 0.21 0.09 3.43 0.00 -0.08 0.98 119.26 124.63 3ek1 h ALA 54 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ek1 h ALA 54 Cb 0.99 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3ek1 h ALA 54 CO 0.09 -0.46 -0.20 0.82 0.00 0.00 0.00 179.25 179.51 3ek1 h ILE 55 N 0.01 0.55 -0.75 0.00 2.04 -0.91 0.24 117.51 118.70 3ek1 h ILE 55 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.13 3ek1 h ILE 55 Cb 0.22 0.55 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3ek1 h ILE 55 CO -0.30 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.61 3ek1 h ASP 56 N -0.37 0.35 0.20 1.72 3.32 -1.14 -1.27 116.42 119.23 3ek1 h ASP 56 Ca 0.03 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3ek1 h ASP 56 Cb 0.40 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3ek1 h ASP 56 CO -0.12 0.16 -0.31 0.00 -1.72 0.00 0.00 179.24 177.25 3ek1 h ALA 57 N 1.51 1.30 0.10 3.45 0.00 -0.01 -1.88 119.26 123.72 3ek1 h ALA 57 Ca 0.40 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 57 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ek1 h ALA 57 CO -0.36 0.48 -0.05 1.03 0.00 0.00 0.00 179.25 180.36 3ek1 h SER 58 N 0.16 -0.11 -0.99 0.00 0.87 0.03 -1.32 113.55 112.19 3ek1 h SER 58 Ca 0.02 -0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3ek1 h SER 58 Cb 0.64 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.56 3ek1 h SER 58 CO 0.05 0.11 0.64 0.00 -0.53 0.00 0.00 176.83 177.10 3ek1 h ALA 59 N 0.56 1.41 -0.47 6.23 0.00 -1.12 -1.27 119.26 124.59 3ek1 h ALA 59 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3ek1 h ALA 59 Cb 0.27 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ek1 h ALA 59 CO 0.02 0.44 -0.14 -0.22 0.00 0.00 0.00 179.25 179.35 3ek1 h LYS 60 N 1.17 0.89 0.00 0.00 3.11 -1.24 -3.13 116.57 117.37 3ek1 h LYS 60 Ca 0.43 -0.33 -0.07 0.00 -2.81 0.00 0.00 60.65 57.86 3ek1 h LYS 60 Cb 0.16 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 31.32 3ek1 h LYS 60 CO -0.17 0.98 -0.34 0.00 -2.81 0.00 0.00 179.45 177.11 3ek1 h ALA 61 N 1.04 0.94 0.06 5.00 0.00 -0.44 -3.38 119.26 122.47 3ek1 h ALA 61 Ca 0.12 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3ek1 h ALA 61 Cb 0.67 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3ek1 h ALA 61 CO 0.05 0.42 -0.49 1.25 0.00 0.00 0.00 179.25 180.48 3ek1 h LEU 62 N 0.00 -1.48 -0.62 0.00 5.85 -1.20 -2.45 115.31 115.41 3ek1 h LEU 62 Ca -0.00 0.17 0.11 0.00 0.84 0.00 0.00 57.88 58.99 3ek1 h LEU 62 Cb 0.94 0.56 -0.12 0.00 0.37 0.00 0.00 40.66 42.41 3ek1 h LEU 62 CO 0.04 -0.52 -0.34 -1.28 -0.34 0.00 0.00 178.44 176.01 3ek1 h SER 63 N -0.67 -1.17 0.14 1.25 0.87 -1.74 0.18 113.55 112.41 3ek1 h SER 63 Ca 0.02 0.23 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 3ek1 h SER 63 Cb 0.72 0.59 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 3ek1 h SER 63 CO -0.31 -0.30 -0.43 1.23 -0.53 0.00 0.00 176.83 176.49 3ek1 h GLY 64 N -0.15 0.39 0.42 5.77 0.00 -1.78 -1.89 103.07 105.82 3ek1 h GLY 64 Ca 0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 3ek1 h GLY 64 CO -0.70 0.35 -0.03 -0.25 0.00 0.00 0.00 176.54 175.91 3ek1 h TRP 65 N 0.30 -0.08 -0.21 5.60 2.91 -0.72 -2.99 115.95 120.77 3ek1 h TRP 65 Ca 0.02 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.10 3ek1 h TRP 65 Cb 0.88 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.55 3ek1 h TRP 65 CO 0.02 0.45 0.16 0.00 -1.03 0.00 0.00 178.44 178.04 3ek1 h ALA 66 N 0.18 2.14 0.00 2.65 0.00 -0.70 -2.66 119.26 120.86 3ek1 h ALA 66 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 66 Cb 0.56 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ek1 h ALA 66 CO 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 179.25 178.90 3ek1 h ALA 67 N 1.88 0.97 -2.75 0.00 0.00 -1.23 -3.45 119.26 114.68 3ek1 h ALA 67 Ca 0.10 -0.09 -0.55 0.00 0.00 0.00 0.00 54.91 54.37 3ek1 h ALA 67 Cb 0.41 -0.02 0.18 0.00 0.00 0.00 0.00 17.79 18.36 3ek1 h ALA 67 CO -0.00 0.13 0.29 1.63 0.00 0.00 0.00 179.25 181.30 3ek1 n LYS 68 N -3.17 0.50 -1.21 0.00 5.02 -1.01 -5.00 118.16 113.30 3ek1 n LYS 68 Ca 0.02 0.24 -0.33 0.00 -2.02 0.00 0.00 58.31 56.22 3ek1 n LYS 68 Cb 0.46 -2.39 0.11 0.00 -0.02 0.00 0.00 35.03 33.20 3ek1 n LYS 68 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ek1 s THR 69 N -1.85 2.36 0.16 -0.18 -4.23 -1.26 -4.89 115.64 105.75 3ek1 s THR 69 Ca 0.75 0.15 -0.15 0.00 -1.18 0.00 0.00 61.69 61.26 3ek1 s THR 69 Cb -0.33 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.00 3ek1 s THR 69 CO 0.48 -0.12 1.75 0.00 -0.54 0.00 0.00 174.62 176.19 3ek1 h ALA 70 N -0.83 0.46 -0.63 3.99 0.00 -1.94 -2.29 119.26 118.01 3ek1 h ALA 70 Ca -0.46 0.05 0.13 0.00 0.00 0.00 0.00 54.91 54.63 3ek1 h ALA 70 Cb 1.28 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.99 3ek1 h ALA 70 CO 0.48 -0.26 -0.05 -0.22 0.00 0.00 0.00 179.25 179.19 3ek1 h LYS 71 N 0.29 0.07 -0.32 0.00 3.64 -1.92 0.27 116.57 118.60 3ek1 h LYS 71 Ca 0.18 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3ek1 h LYS 71 Cb 0.16 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ek1 h LYS 71 CO -0.19 0.05 -0.41 0.93 -2.27 0.00 0.00 179.45 177.56 3ek1 h GLU 72 N 0.07 0.77 -0.67 1.90 5.08 -1.84 -0.80 114.58 119.10 3ek1 h GLU 72 Ca 0.32 -0.41 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 3ek1 h GLU 72 Cb 0.52 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3ek1 h GLU 72 CO -0.58 1.04 0.09 0.00 -1.00 0.00 0.00 179.01 178.56 3ek1 h ARG 73 N 0.63 1.12 -0.64 2.33 3.08 -0.89 -1.73 114.38 118.28 3ek1 h ARG 73 Ca 0.05 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 3ek1 h ARG 73 Cb 0.97 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3ek1 h ARG 73 CO 0.09 1.03 0.37 0.00 -1.07 0.00 0.00 179.97 180.39 3ek1 h ALA 74 N 1.04 0.82 -0.11 0.04 0.00 -0.17 -0.69 119.26 120.19 3ek1 h ALA 74 Ca 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ek1 h ALA 74 Cb 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ek1 h ALA 74 CO 0.02 0.31 0.07 0.78 0.00 0.00 0.00 179.25 180.42 3ek1 h GLY 75 N 0.87 0.17 0.58 0.00 0.00 -0.94 0.33 103.07 104.08 3ek1 h GLY 75 Ca 0.23 -0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3ek1 h GLY 75 CO -0.04 0.07 0.03 -2.22 0.00 0.00 0.00 176.54 174.39 3ek1 h ILE 76 N 0.11 0.82 -0.27 2.60 2.04 -1.19 -2.18 117.51 119.43 3ek1 h ILE 76 Ca 0.04 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3ek1 h ILE 76 Cb 0.05 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3ek1 h ILE 76 CO -0.01 0.02 -0.11 -0.07 0.00 0.00 0.00 178.15 177.99 3ek1 h LEU 77 N 0.14 0.42 -0.76 1.44 3.38 -0.80 -2.34 115.31 116.79 3ek1 h LEU 77 Ca 0.15 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3ek1 h LEU 77 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3ek1 h LEU 77 CO -0.22 0.57 0.18 -0.09 0.09 0.00 0.00 178.44 178.98 3ek1 h ARG 78 N 0.41 1.12 -0.44 1.13 2.43 -0.07 -1.02 114.38 117.94 3ek1 h ARG 78 Ca 0.08 -0.26 0.05 0.00 -0.81 0.00 0.00 59.98 59.04 3ek1 h ARG 78 Cb 0.44 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3ek1 h ARG 78 CO 0.02 0.98 0.18 0.87 -1.51 0.00 0.00 179.97 180.51 3ek1 h LYS 79 N 1.07 0.36 -0.13 0.20 1.57 -0.89 0.55 116.57 119.30 3ek1 h LYS 79 Ca 0.22 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3ek1 h LYS 79 Cb 0.35 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 3ek1 h LYS 79 CO -0.00 0.24 -0.18 2.35 -0.57 0.00 0.00 179.45 181.29 3ek1 h TRP 80 N 0.37 -0.46 -0.38 -1.35 7.01 -1.26 0.90 115.95 120.79 3ek1 h TRP 80 Ca 0.20 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.30 3ek1 h TRP 80 Cb 0.17 0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 27.36 3ek1 h TRP 80 CO -0.13 -0.25 -0.38 0.35 -2.79 0.00 0.00 178.44 175.24 3ek1 h PHE 81 N -0.22 -1.07 -0.57 2.65 3.57 -0.64 -0.65 116.94 120.00 3ek1 h PHE 81 Ca 0.10 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3ek1 h PHE 81 Cb 0.36 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 3ek1 h PHE 81 CO -0.29 -0.42 0.24 -0.44 -2.23 0.00 0.00 178.31 175.17 3ek1 h ASP 82 N -0.31 0.74 -0.67 0.41 3.32 -0.35 -1.39 116.42 118.17 3ek1 h ASP 82 Ca 0.15 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 3ek1 h ASP 82 Cb 0.57 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3ek1 h ASP 82 CO -0.54 0.66 0.15 -0.07 -1.72 0.00 0.00 179.24 177.72 3ek1 h LEU 83 N 0.81 1.04 -0.37 1.55 3.38 -0.40 0.12 115.31 121.43 3ek1 h LEU 83 Ca 0.20 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ek1 h LEU 83 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ek1 h LEU 83 CO -0.02 1.00 -0.29 0.40 0.09 0.00 0.00 178.44 179.62 3ek1 h ILE 84 N 1.03 1.28 -0.70 1.22 2.04 -0.23 -2.41 117.51 119.75 3ek1 h ILE 84 Ca 0.21 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 3ek1 h ILE 84 Cb 0.38 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3ek1 h ILE 84 CO 0.00 0.48 0.24 0.40 0.00 0.00 0.00 178.15 179.27 3ek1 h ILE 85 N 0.66 1.25 0.00 -0.67 1.08 -1.12 -1.66 117.51 117.05 3ek1 h ILE 85 Ca 0.07 -0.85 -0.03 0.00 -0.39 0.00 0.00 64.86 63.66 3ek1 h ILE 85 Cb 0.87 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 3ek1 h ILE 85 CO 0.08 0.33 -0.15 0.00 -0.69 0.00 0.00 178.15 177.72 3ek1 h ALA 86 N 1.22 1.50 -0.12 1.87 0.00 -0.45 -3.01 119.26 120.26 3ek1 h ALA 86 Ca 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 86 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ek1 h ALA 86 CO -0.01 0.19 -0.00 0.09 0.00 0.00 0.00 179.25 179.52 3ek1 n ASN 87 N -4.00 3.07 -0.34 0.00 3.02 -0.93 -4.78 115.26 111.30 3ek1 n ASN 87 Ca -0.02 -3.06 0.03 0.00 -0.03 0.00 0.00 54.58 51.49 3ek1 n ASN 87 Cb 0.24 -0.49 0.20 0.00 -0.61 0.00 0.00 39.78 39.12 3ek1 n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ek1 h ALA 88 N 0.85 1.44 -0.32 5.41 0.00 -1.18 -1.60 119.26 123.87 3ek1 h ALA 88 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ek1 h ALA 88 Cb 1.21 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ek1 h ALA 88 CO 0.11 0.43 0.03 -0.44 0.00 0.00 0.00 179.25 179.38 3ek1 h ASP 89 N 1.13 0.52 -0.47 0.00 3.32 -1.86 0.15 116.42 119.22 3ek1 h ASP 89 Ca 0.41 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3ek1 h ASP 89 Cb 0.14 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3ek1 h ASP 89 CO -0.15 0.67 0.16 0.44 -1.72 0.00 0.00 179.24 178.64 3ek1 h ASP 90 N 0.35 0.67 -0.64 6.45 3.32 -1.87 -0.60 116.42 124.10 3ek1 h ASP 90 Ca 0.09 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.97 3ek1 h ASP 90 Cb 0.38 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3ek1 h ASP 90 CO 0.01 0.68 0.41 0.40 -1.72 0.00 0.00 179.24 179.02 3ek1 h ILE 91 N 0.61 1.12 -0.46 0.35 2.04 -1.12 -1.64 117.51 118.42 3ek1 h ILE 91 Ca 0.15 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3ek1 h ILE 91 Cb 0.24 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3ek1 h ILE 91 CO -0.01 0.15 0.04 0.00 0.00 0.00 0.00 178.15 178.33 3ek1 h ALA 92 N 1.25 1.20 -0.24 1.87 0.00 -0.27 -1.54 119.26 121.54 3ek1 h ALA 92 Ca 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 92 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ek1 h ALA 92 CO -0.08 0.53 0.08 1.25 0.00 0.00 0.00 179.25 181.04 3ek1 h LEU 93 N 0.70 0.33 -0.54 0.00 5.85 -0.64 0.59 115.31 121.61 3ek1 h LEU 93 Ca 0.15 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.74 3ek1 h LEU 93 Cb 0.38 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3ek1 h LEU 93 CO 0.01 0.43 0.24 0.40 -0.34 0.00 0.00 178.44 179.18 3ek1 h ILE 94 N 0.22 0.89 0.44 4.05 2.04 -1.11 -0.23 117.51 123.82 3ek1 h ILE 94 Ca 0.08 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3ek1 h ILE 94 Cb 0.20 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3ek1 h ILE 94 CO -0.00 0.08 -0.21 -0.03 0.00 0.00 0.00 178.15 177.99 3ek1 h MET 95 N 0.46 -0.57 -0.86 2.37 4.05 -1.06 -1.62 114.93 117.70 3ek1 h MET 95 Ca 0.25 0.04 0.17 0.00 -0.28 0.00 0.00 59.70 59.88 3ek1 h MET 95 Cb 0.21 0.13 -0.10 0.00 -0.80 0.00 0.00 31.60 31.04 3ek1 h MET 95 CO -0.21 -0.30 0.42 1.15 0.23 0.00 0.00 176.91 178.21 3ek1 h THR 96 N -0.75 0.65 0.08 -0.77 2.02 -0.71 0.18 112.91 113.60 3ek1 h THR 96 Ca -0.06 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3ek1 h THR 96 Cb 0.53 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 3ek1 h THR 96 CO 0.10 0.10 -0.04 0.28 0.37 0.00 0.00 175.52 176.33 3ek1 h SER 97 N 0.55 -0.09 1.02 4.18 0.02 -0.84 -0.91 113.55 117.48 3ek1 h SER 97 Ca 0.49 -0.09 -0.19 0.00 -0.84 0.00 0.00 61.79 61.16 3ek1 h SER 97 Cb 0.78 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3ek1 h SER 97 CO -0.41 0.04 -1.03 1.05 -1.14 0.00 0.00 176.83 175.33 3ek1 h GLU 98 N -0.21 0.00 0.00 3.45 4.11 -0.85 -3.35 114.58 117.73 3ek1 h GLU 98 Ca -0.01 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.26 3ek1 h GLU 98 Cb 0.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3ek1 h GLU 98 CO 0.02 0.71 -1.59 0.00 0.07 0.00 0.00 179.01 178.21 3ek1 n GLN 99 N -3.22 2.46 0.00 1.06 -0.00 0.59 -4.52 117.38 113.76 3ek1 n GLN 99 Ca -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 3ek1 n GLN 99 Cb 0.89 -1.22 0.00 0.00 -0.00 0.00 0.00 30.24 29.91 3ek1 n GLN 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ek1 n GLY 100 N 2.50 1.19 3.75 2.61 0.00 -0.35 -4.61 105.19 110.28 3ek1 n GLY 100 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.03 2.96 0.69 1.61 -2.85 -1.26 -4.18 119.74 116.68 3ek1 s LYS 101 Ca 0.00 1.95 -0.17 0.00 -1.00 0.00 0.00 55.97 56.75 3ek1 s LYS 101 Cb 0.00 -2.00 0.01 0.00 -2.06 0.00 0.00 37.83 33.79 3ek1 s LYS 101 CO 0.00 -1.25 1.26 -2.14 0.10 0.00 0.00 175.35 173.33 3ek1 s PRO 102 N -3.23 2.31 0.32 1.78 0.02 -1.26 -4.45 135.00 130.50 3ek1 s PRO 102 Ca 0.77 1.96 0.10 0.00 0.02 0.00 0.00 61.00 63.85 3ek1 s PRO 102 Cb -0.34 -1.83 0.90 0.00 0.02 0.00 0.00 34.50 33.25 3ek1 s PRO 102 CO 0.37 -1.75 1.73 -0.07 -0.33 0.00 0.00 177.00 176.95 3ek1 h LEU 103 N 0.14 0.66 -0.80 -5.54 3.38 -1.55 -0.11 115.31 111.49 3ek1 h LEU 103 Ca -0.50 0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.48 3ek1 h LEU 103 Cb 1.32 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3ek1 h LEU 103 CO 0.51 0.10 -0.45 0.00 0.09 0.00 0.00 178.44 178.70 3ek1 h ALA 104 N 1.72 0.97 -0.24 1.53 0.00 -1.90 0.52 119.26 121.87 3ek1 h ALA 104 Ca 0.64 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3ek1 h ALA 104 Cb 1.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3ek1 h ALA 104 CO -0.46 0.63 -0.01 0.93 0.00 0.00 0.00 179.25 180.34 3ek1 h GLU 105 N 0.28 0.43 -0.84 0.00 5.08 -1.43 -2.16 114.58 115.93 3ek1 h GLU 105 Ca 0.02 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3ek1 h GLU 105 Cb 0.91 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3ek1 h GLU 105 CO 0.07 0.62 0.50 0.00 -1.00 0.00 0.00 179.01 179.21 3ek1 h ALA 106 N 0.79 1.07 0.03 3.43 0.00 -0.81 0.19 119.26 123.96 3ek1 h ALA 106 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 106 Cb 0.44 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ek1 h ALA 106 CO 0.02 0.54 -0.01 -0.09 0.00 0.00 0.00 179.25 179.70 3ek1 h ARG 107 N 1.16 -0.04 -0.51 0.00 2.43 -0.89 -0.15 114.38 116.38 3ek1 h ARG 107 Ca 0.30 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.57 3ek1 h ARG 107 Cb -0.04 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.44 3ek1 h ARG 107 CO -0.06 0.04 0.06 0.78 -1.51 0.00 0.00 179.97 179.28 3ek1 h GLY 108 N -0.11 0.58 1.02 2.80 0.00 -1.09 -0.60 103.07 105.68 3ek1 h GLY 108 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3ek1 h GLY 108 CO 0.01 -0.11 0.54 -2.09 0.00 0.00 0.00 176.54 174.89 3ek1 h GLU 109 N 0.18 1.23 -0.42 4.80 4.81 -0.36 -0.16 114.58 124.66 3ek1 h GLU 109 Ca 0.26 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3ek1 h GLU 109 Cb 0.37 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3ek1 h GLU 109 CO -0.38 0.87 0.19 0.28 -0.73 0.00 0.00 179.01 179.24 3ek1 h VAL 110 N 1.24 1.18 -0.59 0.32 2.07 0.29 0.27 116.25 121.04 3ek1 h VAL 110 Ca 0.32 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3ek1 h VAL 110 Cb -0.04 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3ek1 h VAL 110 CO -0.06 0.20 0.17 -0.07 0.02 0.00 0.00 177.57 177.83 3ek1 h LEU 111 N 0.53 0.83 -0.54 2.57 3.38 -0.73 0.54 115.31 121.90 3ek1 h LEU 111 Ca 0.14 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3ek1 h LEU 111 Cb 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3ek1 h LEU 111 CO -0.02 0.79 0.03 0.22 0.09 0.00 0.00 178.44 179.56 3ek1 h TYR 112 N 0.87 1.00 -0.34 1.13 3.20 -0.57 -1.54 116.97 120.72 3ek1 h TYR 112 Ca 0.19 -0.16 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 3ek1 h TYR 112 Cb 0.27 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 3ek1 h TYR 112 CO 0.02 0.91 -0.22 0.00 -1.64 0.00 0.00 178.16 177.22 3ek1 h ALA 113 N 0.96 0.49 -1.00 1.82 0.00 -0.16 -2.51 119.26 118.86 3ek1 h ALA 113 Ca 0.16 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 113 Cb 0.49 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3ek1 h ALA 113 CO 0.02 0.46 0.64 0.00 0.00 0.00 0.00 179.25 180.37 3ek1 h ALA 114 N 0.76 1.41 -0.78 0.00 0.00 -0.71 -2.95 119.26 117.00 3ek1 h ALA 114 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 114 Cb 0.78 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3ek1 h ALA 114 CO 0.06 0.40 0.51 0.66 0.00 0.00 0.00 179.25 180.88 3ek1 h SER 115 N 1.14 0.59 -0.91 0.00 4.64 -0.82 -1.37 113.55 116.82 3ek1 h SER 115 Ca 0.44 0.02 0.06 0.00 -0.47 0.00 0.00 61.79 61.84 3ek1 h SER 115 Cb 0.23 -0.10 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3ek1 h SER 115 CO -0.19 0.34 0.57 -0.26 -0.87 0.00 0.00 176.83 176.42 3ek1 h PHE 116 N 0.65 1.07 -0.42 4.77 0.04 -1.54 0.83 116.94 122.33 3ek1 h PHE 116 Ca 0.37 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 61.05 3ek1 h PHE 116 Cb 0.56 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3ek1 h PHE 116 CO -0.00 0.56 -0.21 0.82 -0.60 0.00 0.00 178.31 178.88 3ek1 h ILE 117 N 1.06 1.28 -0.31 -0.55 2.04 -1.38 -0.10 117.51 119.55 3ek1 h ILE 117 Ca 0.39 -1.36 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 3ek1 h ILE 117 Cb 0.13 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3ek1 h ILE 117 CO -0.16 0.46 0.07 -0.08 0.00 0.00 0.00 178.15 178.43 3ek1 h GLU 118 N 0.70 0.51 -0.01 2.37 4.81 -1.16 -0.35 114.58 121.45 3ek1 h GLU 118 Ca 0.09 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3ek1 h GLU 118 Cb 0.77 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 3ek1 h GLU 118 CO 0.06 0.59 -0.10 2.35 -0.73 0.00 0.00 179.01 181.18 3ek1 h TRP 119 N 0.34 -0.25 0.00 0.92 2.91 -0.68 -1.93 115.95 117.27 3ek1 h TRP 119 Ca 0.10 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.04 3ek1 h TRP 119 Cb 0.32 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.07 3ek1 h TRP 119 CO 0.02 -0.15 -0.41 0.74 -1.03 0.00 0.00 178.44 177.61 3ek1 h PHE 120 N -0.17 0.00 -0.74 2.65 0.04 -0.98 0.11 116.94 117.86 3ek1 h PHE 120 Ca 0.04 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.90 3ek1 h PHE 120 Cb 0.22 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.30 3ek1 h PHE 120 CO -0.17 0.41 0.40 0.00 -0.60 0.00 0.00 178.31 178.35 3ek1 h ALA 121 N 1.59 1.03 -0.25 2.45 0.00 -0.75 -0.23 119.26 123.11 3ek1 h ALA 121 Ca -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 121 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3ek1 h ALA 121 CO 0.05 0.01 -0.06 0.93 0.00 0.00 0.00 179.25 180.19 3ek1 h GLU 122 N 0.68 0.49 -0.27 0.00 5.08 -0.52 -3.09 114.58 116.94 3ek1 h GLU 122 Ca 0.36 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3ek1 h GLU 122 Cb 0.34 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3ek1 h GLU 122 CO -0.25 0.70 0.10 0.93 -1.00 0.00 0.00 179.01 179.49 3ek1 h GLU 123 N 0.23 0.38 -0.69 2.33 4.39 -0.52 -3.01 114.58 117.69 3ek1 h GLU 123 Ca 0.06 -0.04 0.14 0.00 0.34 0.00 0.00 59.36 59.86 3ek1 h GLU 123 Cb 0.52 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 3ek1 h GLU 123 CO 0.02 0.33 0.46 0.00 -1.16 0.00 0.00 179.01 178.67 3ek1 h ALA 124 N 1.73 2.16 -0.03 3.43 0.00 -0.95 0.78 119.26 126.38 3ek1 h ALA 124 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 124 Cb 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ek1 h ALA 124 CO -0.01 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.53 3ek1 n LYS 125 N -4.46 1.20 -0.56 0.00 5.02 -1.14 -3.66 118.16 114.56 3ek1 n LYS 125 Ca 0.13 -0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.19 3ek1 n LYS 125 Cb 0.51 -1.40 0.12 0.00 -0.02 0.00 0.00 35.03 34.24 3ek1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ek1 n ARG 126 N -0.57 0.94 -2.38 1.97 1.74 0.27 -4.90 116.66 113.73 3ek1 n ARG 126 Ca 0.18 -2.44 -0.36 0.00 -0.77 0.00 0.00 57.85 54.46 3ek1 n ARG 126 Cb 0.16 -1.11 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.00 3.74 -0.15 1.55 1.01 -1.11 -4.96 120.40 118.48 3ek1 s VAL 127 Ca 0.29 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 3ek1 s VAL 127 Cb 0.28 -4.69 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3ek1 s VAL 127 CO -0.04 -1.59 0.40 -0.31 0.00 0.00 0.00 175.10 173.56 3ek1 s TYR 128 N 6.75 3.46 0.21 5.22 2.02 -1.26 -4.92 117.35 128.83 3ek1 s TYR 128 Ca 0.54 0.73 0.02 0.00 -0.37 0.00 0.00 57.07 57.98 3ek1 s TYR 128 Cb -0.03 -2.48 0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3ek1 s TYR 128 CO -0.05 0.14 0.29 0.41 -1.57 0.00 0.00 175.55 174.78 3ek1 n GLY 129 N 3.46 1.42 3.22 0.71 0.00 -1.26 -4.87 105.19 107.87 3ek1 n GLY 129 Ca -0.09 -2.08 -0.19 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.24 1.97 -0.04 1.61 1.01 0.04 -4.95 116.67 114.07 3ek1 s ASP 130 Ca 0.21 -0.73 0.03 0.00 0.71 0.00 0.00 52.55 52.77 3ek1 s ASP 130 Cb -0.01 -0.07 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 3ek1 s ASP 130 CO 0.13 -0.09 -0.10 0.42 0.21 0.00 0.00 175.17 175.75 3ek1 s THR 131 N -1.69 3.43 -0.06 -1.27 -4.23 -1.26 -0.54 115.64 110.01 3ek1 s THR 131 Ca 0.05 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3ek1 s THR 131 Cb -0.07 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.38 3ek1 s THR 131 CO 0.03 0.54 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.97 3ek1 s ILE 132 N -0.83 0.70 0.21 2.99 1.01 -0.97 -5.01 121.20 119.30 3ek1 s ILE 132 Ca 0.13 -0.17 -0.32 0.00 0.00 0.00 0.00 60.65 60.29 3ek1 s ILE 132 Cb -0.11 -0.73 -0.14 0.00 0.01 0.00 0.00 42.46 41.50 3ek1 s ILE 132 CO 0.02 0.28 1.40 -2.65 0.00 0.00 0.00 174.94 174.00 3ek1 n PRO 133 N 4.34 1.91 -3.10 2.79 -0.02 -1.26 -3.84 135.00 135.82 3ek1 n PRO 133 Ca -0.19 0.68 -0.39 0.00 -2.02 0.00 0.00 63.50 61.57 3ek1 n PRO 133 Cb 0.51 -2.34 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 3ek1 n PRO 133 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 s ALA 134 N 0.11 3.37 0.59 3.55 0.00 -1.26 -4.94 121.76 123.18 3ek1 s ALA 134 Ca 0.71 0.08 0.43 0.00 0.00 0.00 0.00 51.96 53.18 3ek1 s ALA 134 Cb -0.69 -2.89 2.31 0.00 0.00 0.00 0.00 23.12 21.84 3ek1 s ALA 134 CO 0.48 -0.06 2.32 -1.35 0.00 0.00 0.00 175.76 177.15 3ek1 h PRO 135 N 6.66 0.00 -6.37 0.00 0.11 -1.94 -3.42 132.00 127.04 3ek1 h PRO 135 Ca -0.41 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.00 3ek1 h PRO 135 Cb 1.19 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 3ek1 h PRO 135 CO 0.75 0.00 -0.88 -0.65 -0.21 0.00 0.00 178.00 177.01 3ek1 s GLN 136 N -4.09 2.30 0.63 1.05 -0.21 -1.26 -5.11 119.66 112.97 3ek1 s GLN 136 Ca -0.04 -0.91 -0.19 0.00 0.02 0.00 0.00 55.36 54.25 3ek1 s GLN 136 Cb 0.12 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 32.00 3ek1 s GLN 136 CO 0.42 0.50 1.24 0.09 -2.12 0.00 0.00 175.29 175.42 3ek1 n ASN 137 N 2.62 1.92 0.00 5.90 5.03 -1.26 -3.10 115.26 126.37 3ek1 n ASN 137 Ca -0.17 0.85 0.00 0.00 0.87 0.00 0.00 54.58 56.13 3ek1 n ASN 137 Cb 0.51 -1.53 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 3ek1 n ASN 137 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ek1 n GLY 138 N 0.97 0.49 3.25 7.41 0.00 -1.26 -5.04 105.19 111.01 3ek1 n GLY 138 Ca 0.15 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.62 1.05 -0.03 1.61 -0.21 -1.18 -1.65 119.66 118.63 3ek1 s GLN 139 Ca 0.00 -1.40 0.01 0.00 0.02 0.00 0.00 55.36 53.99 3ek1 s GLN 139 Cb 0.00 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 33.34 3ek1 s GLN 139 CO 0.00 0.10 -0.02 1.03 -2.12 0.00 0.00 175.29 174.28 3ek1 s ARG 140 N -3.47 0.45 -0.14 2.91 1.81 -0.29 -4.69 118.95 115.54 3ek1 s ARG 140 Ca 0.15 -0.03 -0.04 0.00 -1.72 0.00 0.00 55.73 54.08 3ek1 s ARG 140 Cb 0.01 -0.54 -0.03 0.00 -0.45 0.00 0.00 34.95 33.93 3ek1 s ARG 140 CO 0.01 -0.07 0.02 -0.51 -0.68 0.00 0.00 175.30 174.08 3ek1 s LEU 141 N 0.72 3.62 0.03 2.53 1.43 -1.25 -1.06 118.68 124.70 3ek1 s LEU 141 Ca -0.08 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3ek1 s LEU 141 Cb -0.11 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 3ek1 s LEU 141 CO -0.01 0.26 -0.09 -0.89 0.23 0.00 0.00 176.35 175.85 3ek1 s THR 142 N -0.16 0.65 -0.10 5.49 2.01 -0.26 -2.29 115.64 120.98 3ek1 s THR 142 Ca 0.05 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.18 3ek1 s THR 142 Cb -0.12 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.75 3ek1 s THR 142 CO 0.02 -0.19 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.93 3ek1 s VAL 143 N -1.00 1.35 0.29 3.82 1.01 0.30 -0.24 120.40 125.92 3ek1 s VAL 143 Ca -0.05 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.47 3ek1 s VAL 143 Cb -0.08 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3ek1 s VAL 143 CO 0.01 0.41 -0.15 0.27 0.00 0.00 0.00 175.10 175.64 3ek1 s ILE 144 N 0.94 2.22 -0.07 2.22 -4.36 0.01 -0.78 121.20 121.38 3ek1 s ILE 144 Ca -0.08 -2.30 0.02 0.00 -0.26 0.00 0.00 60.65 58.03 3ek1 s ILE 144 Cb -0.15 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.20 3ek1 s ILE 144 CO -0.00 -0.37 -0.14 -0.13 0.24 0.00 0.00 174.94 174.54 3ek1 s ARG 145 N -3.58 1.97 0.09 0.37 0.52 -1.26 -0.60 118.95 116.46 3ek1 s ARG 145 Ca 0.29 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.02 3ek1 s ARG 145 Cb -0.02 -1.60 -0.04 0.00 0.52 0.00 0.00 34.95 33.82 3ek1 s ARG 145 CO 0.14 0.05 -0.06 -0.65 0.02 0.00 0.00 175.30 174.79 3ek1 s GLN 146 N 0.64 0.77 0.37 3.54 -0.21 -0.90 -4.92 119.66 118.94 3ek1 s GLN 146 Ca -0.15 -1.27 -0.28 0.00 0.02 0.00 0.00 55.36 53.69 3ek1 s GLN 146 Cb -0.16 -0.14 -0.11 0.00 1.00 0.00 0.00 33.01 33.60 3ek1 s GLN 146 CO 0.04 -0.03 1.46 -1.25 -2.12 0.00 0.00 175.29 173.39 3ek1 s PRO 147 N -3.65 4.15 0.25 2.91 0.04 -1.26 0.05 135.00 137.49 3ek1 s PRO 147 Ca 0.09 2.51 -0.03 0.00 0.04 0.00 0.00 61.00 63.61 3ek1 s PRO 147 Cb 0.04 -2.99 0.30 0.00 0.04 0.00 0.00 34.50 31.90 3ek1 s PRO 147 CO -0.05 -0.48 1.78 0.28 0.04 0.00 0.00 177.00 178.58 3ek1 h VAL 148 N 2.99 1.24 0.00 -0.36 2.07 -1.51 -3.42 116.25 117.26 3ek1 h VAL 148 Ca -0.50 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3ek1 h VAL 148 Cb 1.24 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3ek1 h VAL 148 CO 0.64 0.33 0.00 0.61 0.02 0.00 0.00 177.57 179.18 3ek1 n GLY 149 N -0.77 0.48 3.72 2.17 0.00 -1.26 -4.88 105.19 104.65 3ek1 n GLY 149 Ca 0.04 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 5.05 0.07 1.61 1.01 -1.26 -2.66 120.40 124.22 3ek1 s VAL 150 Ca 0.00 1.44 0.06 0.00 0.00 0.00 0.00 61.98 63.48 3ek1 s VAL 150 Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3ek1 s VAL 150 CO 0.00 0.25 -0.16 0.42 0.00 0.00 0.00 175.10 175.61 3ek1 s THR 151 N 0.83 1.24 -0.07 3.92 -4.23 -0.71 -0.62 115.64 116.00 3ek1 s THR 151 Ca 0.37 -1.33 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 3ek1 s THR 151 Cb -0.18 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.49 3ek1 s THR 151 CO 0.18 -0.17 -0.20 0.00 -0.54 0.00 0.00 174.62 173.90 3ek1 s ALA 152 N -1.21 1.79 -0.06 3.99 0.00 -0.21 -0.51 121.76 125.56 3ek1 s ALA 152 Ca 0.00 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.24 3ek1 s ALA 152 Cb -0.10 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3ek1 s ALA 152 CO 0.03 0.27 -0.22 0.00 0.00 0.00 0.00 175.76 175.83 3ek1 s ALA 153 N 0.26 2.28 -0.19 0.00 0.00 0.62 -0.78 121.76 123.95 3ek1 s ALA 153 Ca -0.12 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 3ek1 s ALA 153 Cb -0.15 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.23 3ek1 s ALA 153 CO 0.05 0.44 -0.16 0.42 0.00 0.00 0.00 175.76 176.51 3ek1 s ILE 154 N -0.26 2.39 0.21 0.00 1.01 -0.73 -0.46 121.20 123.36 3ek1 s ILE 154 Ca -0.00 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.93 3ek1 s ILE 154 Cb -0.13 -2.03 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 3ek1 s ILE 154 CO 0.03 0.51 -0.23 0.42 0.00 0.00 0.00 174.94 175.67 3ek1 s THR 155 N 1.33 2.33 0.75 2.92 -4.23 -0.77 -2.66 115.64 115.31 3ek1 s THR 155 Ca 0.05 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.42 3ek1 s THR 155 Cb -0.13 -2.14 0.13 0.00 1.34 0.00 0.00 72.50 71.70 3ek1 s THR 155 CO -0.10 -0.20 1.03 -2.16 -0.54 0.00 0.00 174.62 172.65 3ek1 s PRO 156 N -2.88 1.60 0.27 3.99 0.04 -1.21 -2.46 135.00 134.35 3ek1 s PRO 156 Ca 0.22 -0.95 0.22 0.00 0.04 0.00 0.00 61.00 60.54 3ek1 s PRO 156 Cb -0.07 -2.26 0.10 0.00 0.04 0.00 0.00 34.50 32.31 3ek1 s PRO 156 CO 0.11 -1.54 1.22 0.11 0.04 0.00 0.00 177.00 176.94 3ek1 h TRP 157 N -0.66 0.00 -0.33 0.56 5.08 -1.93 -3.40 115.95 115.27 3ek1 h TRP 157 Ca -0.38 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.45 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 -0.28 0.04 -0.36 -2.95 -1.28 0.00 0.00 178.44 173.61 3ek1 h ASN 158 N 0.00 0.80 -3.69 0.11 -1.07 -1.97 -3.34 115.58 106.43 3ek1 h ASN 158 Ca -0.01 -0.35 -0.62 0.00 0.07 0.00 0.00 56.30 55.39 3ek1 h ASN 158 Cb 1.04 -0.22 -0.41 0.00 -2.07 0.00 0.00 38.32 36.66 3ek1 h ASN 158 CO 0.00 1.08 -0.69 -0.36 0.07 0.00 0.00 177.43 177.54 3ek1 s PHE 159 N -4.38 2.60 -0.61 4.14 0.08 -1.26 -4.99 117.98 113.56 3ek1 s PHE 159 Ca -0.09 -2.83 0.24 0.00 0.12 0.00 0.00 56.93 54.37 3ek1 s PHE 159 Cb 0.12 -2.29 0.92 0.00 -0.57 0.00 0.00 43.02 41.19 3ek1 s PHE 159 CO 0.85 -0.73 1.73 -0.35 -0.10 0.00 0.00 175.22 176.61 3ek1 n PRO 160 N 3.11 0.20 -0.11 0.24 -0.04 -1.25 -2.17 135.00 134.98 3ek1 n PRO 160 Ca 0.10 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.68 3ek1 n PRO 160 Cb 0.34 -1.82 -0.07 0.00 -0.04 0.00 0.00 33.50 31.91 3ek1 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ek1 n ALA 161 N -1.75 1.35 -0.18 0.55 0.00 -1.26 -4.18 120.51 115.04 3ek1 n ALA 161 Ca 0.03 -0.91 -0.07 0.00 0.00 0.00 0.00 53.44 52.50 3ek1 n ALA 161 Cb 0.30 0.15 0.08 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.88 0.94 0.00 0.00 0.00 -1.82 -1.87 119.26 115.63 3ek1 h ALA 162 Ca -0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 3ek1 h ALA 162 Cb 1.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ek1 h ALA 162 CO -0.28 0.64 -0.10 0.52 0.00 0.00 0.00 179.25 180.03 3ek1 h MET 163 N 0.91 0.00 0.07 0.00 2.86 -1.73 -0.99 114.93 116.05 3ek1 h MET 163 Ca 0.17 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 3ek1 h MET 163 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.19 3ek1 h MET 163 CO 0.02 0.10 -0.58 0.82 1.06 0.00 0.00 176.91 178.33 3ek1 h ILE 164 N 0.00 1.53 -0.26 -1.22 2.04 -1.58 -3.31 117.51 114.71 3ek1 h ILE 164 Ca -0.00 -2.32 -0.14 0.00 1.00 0.00 0.00 64.86 63.40 3ek1 h ILE 164 Cb 0.51 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 3ek1 h ILE 164 CO 0.01 0.65 -0.43 0.71 0.00 0.00 0.00 178.15 179.10 3ek1 h THR 165 N -0.40 1.30 -0.32 -0.27 1.35 -1.16 0.12 112.91 113.53 3ek1 h THR 165 Ca -0.09 -1.61 0.09 0.00 -0.55 0.00 0.00 66.41 64.25 3ek1 h THR 165 Cb 1.40 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3ek1 h THR 165 CO 0.11 0.51 0.34 0.03 -0.25 0.00 0.00 175.52 176.27 3ek1 h ARG 166 N 0.51 0.00 0.00 4.72 3.08 -1.33 0.11 114.38 121.47 3ek1 h ARG 166 Ca 0.04 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.66 3ek1 h ARG 166 Cb 0.95 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 3ek1 h ARG 166 CO 0.09 0.00 -2.47 1.63 -1.07 0.00 0.00 179.97 178.14 3ek1 n LYS 167 N -3.77 0.58 0.04 0.04 5.02 -0.91 -4.47 118.16 114.69 3ek1 n LYS 167 Ca 0.05 0.22 -0.06 0.00 -2.02 0.00 0.00 58.31 56.50 3ek1 n LYS 167 Cb 0.50 -1.46 0.13 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.70 0.88 0.09 7.82 0.00 -0.64 -2.79 119.26 123.91 3ek1 h ALA 168 Ca -0.65 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 53.78 3ek1 h ALA 168 Cb 1.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3ek1 h ALA 168 CO -0.32 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.54 3ek1 h ALA 169 N 1.16 -0.12 -0.28 0.00 0.00 -0.99 0.30 119.26 119.33 3ek1 h ALA 169 Ca 0.02 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3ek1 h ALA 169 Cb 0.98 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ek1 h ALA 169 CO 0.08 -0.50 -0.37 -1.00 0.00 0.00 0.00 179.25 177.47 3ek1 h PRO 170 N -0.26 0.64 0.15 0.00 0.13 -1.76 -1.14 132.00 129.76 3ek1 h PRO 170 Ca -0.01 -0.31 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3ek1 h PRO 170 Cb 0.22 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.32 3ek1 h PRO 170 CO 0.02 0.91 -0.24 0.00 -0.23 0.00 0.00 178.00 178.46 3ek1 h ALA 171 N 1.06 -0.43 -0.21 -0.56 0.00 -1.36 0.84 119.26 118.60 3ek1 h ALA 171 Ca 0.05 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3ek1 h ALA 171 Cb 0.88 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ek1 h ALA 171 CO 0.08 -0.78 -0.42 -0.07 0.00 0.00 0.00 179.25 178.06 3ek1 h LEU 172 N -0.46 0.54 -0.56 0.00 4.07 -0.90 -1.20 115.31 116.79 3ek1 h LEU 172 Ca 0.02 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.74 3ek1 h LEU 172 Cb 0.47 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.03 3ek1 h LEU 172 CO -0.12 0.89 0.36 0.00 -1.08 0.00 0.00 178.44 178.50 3ek1 h ALA 173 N 1.13 0.72 0.00 1.53 0.00 -0.89 -1.86 119.26 119.89 3ek1 h ALA 173 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 173 Cb 0.91 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ek1 h ALA 173 CO 0.08 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3ek1 n ALA 174 N -2.26 1.59 -0.08 0.00 0.00 0.26 -4.71 120.51 115.31 3ek1 n ALA 174 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3ek1 n ALA 174 Cb 0.03 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3ek1 n ALA 174 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 175 N -0.15 0.96 3.91 0.00 0.00 -0.70 -3.99 105.19 105.21 3ek1 n GLY 175 Ca 0.02 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 3ek1 n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s THR 177 N -2.84 4.24 -0.03 0.00 -4.23 -1.09 -4.04 115.64 107.66 3ek1 s THR 177 Ca 0.50 -1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 59.70 3ek1 s THR 177 Cb -0.10 -3.42 0.01 0.00 1.34 0.00 0.00 72.50 70.32 3ek1 s THR 177 CO 0.45 -0.25 0.16 -0.32 -0.54 0.00 0.00 174.62 174.11 3ek1 s MET 178 N -3.98 0.33 -0.19 3.99 0.00 0.98 -1.74 119.30 118.70 3ek1 s MET 178 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 55.69 55.97 3ek1 s MET 178 Cb -0.08 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.88 3ek1 s MET 178 CO 0.27 -0.07 -0.05 0.42 0.00 0.00 0.00 175.02 175.60 3ek1 s ILE 179 N -0.61 3.55 -0.17 10.11 1.01 0.33 -1.16 121.20 134.27 3ek1 s ILE 179 Ca -0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.08 3ek1 s ILE 179 Cb -0.04 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3ek1 s ILE 179 CO 0.01 0.45 -0.00 -0.69 0.00 0.00 0.00 174.94 174.71 3ek1 s VAL 180 N 0.96 4.17 -0.36 2.92 1.01 0.20 -0.28 120.40 129.02 3ek1 s VAL 180 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3ek1 s VAL 180 Cb -0.15 -2.85 0.06 0.00 0.00 0.00 0.00 36.38 33.45 3ek1 s VAL 180 CO 0.01 0.48 0.14 -0.60 0.00 0.00 0.00 175.10 175.13 3ek1 s ARG 181 N 0.40 2.49 0.78 2.72 3.52 0.40 -0.99 118.95 128.26 3ek1 s ARG 181 Ca -0.02 -1.35 -0.12 0.00 -0.13 0.00 0.00 55.73 54.11 3ek1 s ARG 181 Cb -0.14 -3.51 0.06 0.00 -1.56 0.00 0.00 34.95 29.80 3ek1 s ARG 181 CO 0.02 -0.79 1.14 -1.25 -0.81 0.00 0.00 175.30 173.62 3ek1 s PRO 182 N 1.35 2.26 0.30 5.12 0.04 -1.26 -1.84 135.00 140.97 3ek1 s PRO 182 Ca 0.00 0.27 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 3ek1 s PRO 182 Cb -0.21 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3ek1 s PRO 182 CO 0.01 -1.42 1.30 0.00 0.04 0.00 0.00 177.00 176.93 3ek1 s ALA 183 N -3.47 3.51 0.35 8.56 0.00 -1.03 -4.85 121.76 124.82 3ek1 s ALA 183 Ca 0.61 1.22 0.09 0.00 0.00 0.00 0.00 51.96 53.87 3ek1 s ALA 183 Cb -0.11 -3.47 0.82 0.00 0.00 0.00 0.00 23.12 20.35 3ek1 s ALA 183 CO 0.50 -0.59 1.85 -0.44 0.00 0.00 0.00 175.76 177.08 3ek1 h ASP 184 N 3.84 0.67 1.06 0.00 5.19 -1.91 -0.94 116.42 124.33 3ek1 h ASP 184 Ca -0.48 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 55.96 3ek1 h ASP 184 Cb 1.22 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 40.65 3ek1 h ASP 184 CO 0.68 0.31 -0.12 -0.07 -3.12 0.00 0.00 179.24 176.93 3ek1 h LEU 185 N 0.69 0.00 -5.70 1.55 3.38 -1.93 -3.38 115.31 109.93 3ek1 h LEU 185 Ca 0.48 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 58.04 3ek1 h LEU 185 Cb 0.80 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.22 3ek1 h LEU 185 CO -0.24 0.12 -0.97 0.35 0.09 0.00 0.00 178.44 177.79 3ek1 n THR 186 N -3.24 -0.12 0.91 0.22 -2.24 -0.40 -4.71 114.28 104.70 3ek1 n THR 186 Ca 0.01 -3.65 0.12 0.00 -2.27 0.00 0.00 64.05 58.26 3ek1 n THR 186 Cb 0.39 0.26 0.27 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.31 0.06 -0.12 -0.78 -0.04 -0.98 -4.29 135.00 129.17 3ek1 n PRO 187 Ca 0.19 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.54 3ek1 n PRO 187 Cb 0.67 -1.54 -0.02 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.99 -0.95 1.53 3.38 -1.92 -2.43 115.31 115.92 3ek1 h LEU 188 Ca 0.00 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.52 3ek1 h LEU 188 Cb 0.55 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3ek1 h LEU 188 CO 0.00 1.25 0.62 0.74 0.09 0.00 0.00 178.44 181.14 3ek1 h THR 189 N 0.76 1.25 -0.24 0.22 2.02 -1.88 -1.55 112.91 113.49 3ek1 h THR 189 Ca 0.06 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.81 3ek1 h THR 189 Cb 0.98 -0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3ek1 h THR 189 CO 0.10 0.24 0.01 0.00 0.37 0.00 0.00 175.52 176.24 3ek1 h ALA 190 N 1.34 0.22 -0.17 6.16 0.00 -1.65 -1.77 119.26 123.40 3ek1 h ALA 190 Ca 0.35 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 3ek1 h ALA 190 Cb -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3ek1 h ALA 190 CO -0.07 -0.41 -0.33 -0.07 0.00 0.00 0.00 179.25 178.36 3ek1 h LEU 191 N 0.09 0.34 -0.32 0.00 3.38 -1.22 0.34 115.31 117.92 3ek1 h LEU 191 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ek1 h LEU 191 Cb 0.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3ek1 h LEU 191 CO -0.19 0.66 0.21 0.00 0.09 0.00 0.00 178.44 179.22 3ek1 h ALA 192 N 1.36 0.41 -0.64 1.53 0.00 -0.57 0.80 119.26 122.15 3ek1 h ALA 192 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 192 Cb 0.73 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 3ek1 h ALA 192 CO 0.06 -0.13 0.25 -0.07 0.00 0.00 0.00 179.25 179.35 3ek1 h LEU 193 N 0.43 0.86 -0.19 0.00 3.38 -1.02 -1.49 115.31 117.28 3ek1 h LEU 193 Ca 0.12 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3ek1 h LEU 193 Cb -0.05 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3ek1 h LEU 193 CO -0.03 0.77 -0.11 1.23 0.09 0.00 0.00 178.44 180.39 3ek1 h GLY 194 N 1.02 0.05 0.13 0.83 0.00 -0.25 0.59 103.07 105.43 3ek1 h GLY 194 Ca 0.21 0.13 0.14 0.00 0.00 0.00 0.00 47.33 47.82 3ek1 h GLY 194 CO -0.02 -0.12 0.27 -2.08 0.00 0.00 0.00 176.54 174.59 3ek1 h VAL 195 N -0.10 0.64 0.00 4.60 2.07 0.17 -2.21 116.25 121.42 3ek1 h VAL 195 Ca 0.11 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 3ek1 h VAL 195 Cb 0.26 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3ek1 h VAL 195 CO -0.25 0.08 -0.58 -0.07 0.02 0.00 0.00 177.57 176.77 3ek1 h LEU 196 N 0.41 0.00 -0.09 2.57 3.38 -1.09 -2.60 115.31 117.89 3ek1 h LEU 196 Ca 0.41 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.41 3ek1 h LEU 196 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3ek1 h LEU 196 CO -0.41 0.58 -0.12 0.00 0.09 0.00 0.00 178.44 178.58 3ek1 h ALA 197 N 1.42 -0.06 -0.64 1.53 0.00 -0.31 0.35 119.26 121.55 3ek1 h ALA 197 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 197 Cb 1.35 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3ek1 h ALA 197 CO 0.08 -0.58 0.42 0.93 0.00 0.00 0.00 179.25 180.09 3ek1 h GLU 198 N -0.16 0.85 -0.54 0.00 5.08 -1.36 -1.59 114.58 116.86 3ek1 h GLU 198 Ca 0.07 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3ek1 h GLU 198 Cb 0.26 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3ek1 h GLU 198 CO -0.18 0.57 0.17 -0.22 -1.00 0.00 0.00 179.01 178.35 3ek1 h LYS 199 N 0.87 0.81 0.00 2.33 3.64 -1.11 -2.18 116.57 120.93 3ek1 h LYS 199 Ca 0.23 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3ek1 h LYS 199 Cb -0.09 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3ek1 h LYS 199 CO -0.05 0.70 -0.15 0.00 -2.27 0.00 0.00 179.45 177.68 3ek1 h ALA 200 N 1.40 1.17 0.00 5.00 0.00 0.64 -3.47 119.26 124.00 3ek1 h ALA 200 Ca 0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 200 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3ek1 h ALA 200 CO -0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3ek1 n GLY 201 N -0.37 1.40 3.64 0.00 0.00 -0.82 -4.72 105.19 104.32 3ek1 n GLY 201 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 3.97 0.90 -0.61 1.01 -0.86 -4.95 121.20 118.67 3ek1 s ILE 202 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 60.65 61.67 3ek1 s ILE 202 Cb 0.00 -3.88 0.10 0.00 0.01 0.00 0.00 42.46 38.68 3ek1 s ILE 202 CO 0.00 -0.27 0.92 -2.65 0.00 0.00 0.00 174.94 172.94 3ek1 n PRO 203 N 7.20 -0.29 -1.61 2.79 -0.02 -1.26 -4.61 135.00 137.21 3ek1 n PRO 203 Ca 0.16 -0.02 -0.49 0.00 -2.02 0.00 0.00 63.50 61.13 3ek1 n PRO 203 Cb 0.45 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 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 -3.85 -0.31 0.00 3.55 0.00 -1.26 -2.31 120.51 116.32 3ek1 n ALA 204 Ca 0.11 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3ek1 n ALA 204 Cb 0.52 -2.12 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 2.40 2.78 0.08 0.00 0.00 -1.26 -4.74 105.19 104.45 3ek1 n GLY 205 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 3ek1 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek1 h VAL 206 N 0.00 1.27 -3.22 1.61 2.07 -1.77 -3.37 116.25 112.85 3ek1 h VAL 206 Ca 0.00 -0.86 -0.67 0.00 0.82 0.00 0.00 66.70 65.99 3ek1 h VAL 206 Cb 0.00 1.71 -0.34 0.00 -1.52 0.00 0.00 31.29 31.15 3ek1 h VAL 206 CO 0.00 0.24 -0.86 -0.22 0.02 0.00 0.00 177.57 176.74 3ek1 s LEU 207 N -9.48 2.15 0.02 2.57 2.96 -1.26 -0.01 118.68 115.62 3ek1 s LEU 207 Ca -0.15 -0.59 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 3ek1 s LEU 207 Cb 0.04 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.26 3ek1 s LEU 207 CO 0.69 0.08 -0.12 -1.10 -1.32 0.00 0.00 176.35 174.59 3ek1 s GLN 208 N 0.79 0.89 -0.19 1.98 -0.21 -0.31 -4.85 119.66 117.77 3ek1 s GLN 208 Ca -0.07 -0.58 0.01 0.00 0.02 0.00 0.00 55.36 54.73 3ek1 s GLN 208 Cb -0.16 -0.86 0.04 0.00 1.00 0.00 0.00 33.01 33.03 3ek1 s GLN 208 CO -0.01 0.22 -0.11 0.42 -2.12 0.00 0.00 175.29 173.69 3ek1 s ILE 209 N -0.60 1.63 -0.09 1.08 1.01 -0.61 0.62 121.20 124.24 3ek1 s ILE 209 Ca 0.02 -0.91 0.04 0.00 0.00 0.00 0.00 60.65 59.80 3ek1 s ILE 209 Cb -0.06 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.75 3ek1 s ILE 209 CO 0.00 0.24 -0.22 0.68 0.00 0.00 0.00 174.94 175.64 3ek1 s VAL 210 N 1.42 1.92 0.05 2.92 -7.23 -0.16 -2.14 120.40 117.18 3ek1 s VAL 210 Ca 0.00 -0.95 0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3ek1 s VAL 210 Cb -0.15 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 3ek1 s VAL 210 CO -0.09 0.53 -0.07 0.42 -0.31 0.00 0.00 175.10 175.58 3ek1 s THR 211 N 0.31 3.58 -4.04 5.32 -4.23 -1.26 -4.15 115.64 111.17 3ek1 s THR 211 Ca -0.16 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3ek1 s THR 211 Cb -0.17 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3ek1 s THR 211 CO 0.07 0.27 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 3ek1 n GLY 212 N 1.16 -1.82 3.73 3.99 0.00 -1.26 -1.60 105.19 109.40 3ek1 n GLY 212 Ca -0.14 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 213 N -1.76 4.44 0.18 1.61 1.02 -1.26 -4.88 119.74 119.09 3ek1 s LYS 213 Ca 0.00 1.95 -0.15 0.00 0.02 0.00 0.00 55.97 57.78 3ek1 s LYS 213 Cb 0.00 -3.23 0.14 0.00 -0.52 0.00 0.00 37.83 34.22 3ek1 s LYS 213 CO 0.00 -0.18 1.68 0.00 -0.92 0.00 0.00 175.35 175.93 3ek1 h ALA 214 N 5.46 0.38 -0.19 5.17 0.00 -1.99 -2.54 119.26 125.55 3ek1 h ALA 214 Ca -0.44 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3ek1 h ALA 214 Cb 1.21 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3ek1 h ALA 214 CO 0.76 -0.41 -0.49 -0.09 0.00 0.00 0.00 179.25 179.03 3ek1 h ARG 215 N 0.08 0.50 -0.08 0.00 2.43 -1.98 -1.09 114.38 114.23 3ek1 h ARG 215 Ca 0.22 -0.28 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3ek1 h ARG 215 Cb 0.33 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3ek1 h ARG 215 CO -0.40 0.87 -0.41 0.93 -1.51 0.00 0.00 179.97 179.46 3ek1 h GLU 216 N 0.39 0.41 -0.08 0.20 3.07 -1.93 0.00 114.58 116.64 3ek1 h GLU 216 Ca 0.02 -0.34 -0.05 0.00 -0.50 0.00 0.00 59.36 58.49 3ek1 h GLU 216 Cb 1.00 0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3ek1 h GLU 216 CO 0.09 0.98 -0.13 0.82 -1.40 0.00 0.00 179.01 179.37 3ek1 h ILE 217 N -0.05 1.39 -0.75 3.13 2.04 -1.50 -1.89 117.51 119.87 3ek1 h ILE 217 Ca -0.03 -1.38 0.03 0.00 1.00 0.00 0.00 64.86 64.48 3ek1 h ILE 217 Cb 1.06 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 39.20 3ek1 h ILE 217 CO 0.08 0.39 0.48 1.23 0.00 0.00 0.00 178.15 180.33 3ek1 h GLY 218 N -0.21 1.08 1.21 5.37 0.00 -1.29 0.16 103.07 109.39 3ek1 h GLY 218 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3ek1 h GLY 218 CO 0.03 0.31 0.31 0.00 0.00 0.00 0.00 176.54 177.19 3ek1 h ALA 219 N 1.31 1.22 -0.28 3.60 0.00 -0.93 -1.84 119.26 122.35 3ek1 h ALA 219 Ca 0.30 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3ek1 h ALA 219 Cb 0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3ek1 h ALA 219 CO -0.11 0.58 -0.45 1.49 0.00 0.00 0.00 179.25 180.76 3ek1 h GLU 220 N 1.01 0.80 0.00 0.00 4.57 -0.72 -2.65 114.58 117.59 3ek1 h GLU 220 Ca 0.24 -0.49 -0.08 0.00 -1.18 0.00 0.00 59.36 57.86 3ek1 h GLU 220 Cb 0.15 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3ek1 h GLU 220 CO -0.03 1.12 -0.36 -0.07 -1.18 0.00 0.00 179.01 178.49 3ek1 h LEU 221 N 0.56 0.00 0.00 1.64 3.38 -0.69 -0.35 115.31 119.86 3ek1 h LEU 221 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3ek1 h LEU 221 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ek1 h LEU 221 CO 0.10 0.36 -0.87 0.35 0.09 0.00 0.00 178.44 178.47 3ek1 n THR 222 N -4.08 0.38 -0.05 0.22 -2.24 -0.72 -4.10 114.28 103.70 3ek1 n THR 222 Ca -0.02 -0.35 -0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3ek1 n THR 222 Cb 0.40 -0.10 -0.15 0.00 -2.10 0.00 0.00 70.33 68.38 3ek1 n THR 222 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3ek1 n SER 223 N -2.24 0.11 -4.69 3.42 3.41 -1.00 -4.45 113.62 108.18 3ek1 n SER 223 Ca 0.02 0.05 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3ek1 n SER 223 Cb 0.47 1.28 -0.03 0.00 -0.26 0.00 0.00 64.21 65.67 3ek1 n SER 223 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ek1 s ASN 224 N -5.15 6.71 0.45 4.04 3.84 -0.16 -4.87 114.94 119.79 3ek1 s ASN 224 Ca -0.08 2.32 0.31 0.00 0.21 0.00 0.00 52.86 55.62 3ek1 s ASN 224 Cb 0.09 -2.56 1.48 0.00 -0.55 0.00 0.00 41.25 39.71 3ek1 s ASN 224 CO 0.86 -0.82 1.94 0.44 -2.79 0.00 0.00 177.10 176.72 3ek1 h ASP 225 N 8.21 0.00 0.45 -4.21 5.19 -1.92 -2.70 116.42 121.45 3ek1 h ASP 225 Ca -0.40 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 55.80 3ek1 h ASP 225 Cb 1.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 3ek1 h ASP 225 CO 0.92 0.00 -0.87 0.74 -3.12 0.00 0.00 179.24 176.91 3ek1 h THR 226 N 0.00 1.44 -3.04 0.35 2.02 -1.95 -3.42 112.91 108.31 3ek1 h THR 226 Ca 0.00 -2.47 -0.57 0.00 0.77 0.00 0.00 66.41 64.13 3ek1 h THR 226 Cb 0.25 2.39 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 3ek1 h THR 226 CO 0.00 0.73 0.88 -0.69 0.37 0.00 0.00 175.52 176.80 3ek1 s VAL 227 N -3.30 4.41 -1.95 3.16 1.01 -1.02 -4.23 120.40 118.47 3ek1 s VAL 227 Ca -0.04 1.68 0.17 0.00 0.00 0.00 0.00 61.98 63.79 3ek1 s VAL 227 Cb 0.10 -4.17 0.22 0.00 0.00 0.00 0.00 36.38 32.53 3ek1 s VAL 227 CO 0.84 -0.24 1.13 0.54 0.00 0.00 0.00 175.10 177.37 3ek1 n ARG 228 N 6.66 1.75 -3.64 2.72 1.74 0.21 -4.93 116.66 121.17 3ek1 n ARG 228 Ca 0.13 -1.74 -0.05 0.00 -0.77 0.00 0.00 57.85 55.42 3ek1 n ARG 228 Cb 0.46 -1.35 -0.07 0.00 -1.02 0.00 0.00 32.46 30.48 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -1.32 0.60 -0.02 5.56 2.47 -1.23 -2.31 119.74 123.50 3ek1 s LYS 229 Ca 0.24 1.07 0.06 0.00 -1.56 0.00 0.00 55.97 55.78 3ek1 s LYS 229 Cb 0.15 0.16 -0.03 0.00 -1.46 0.00 0.00 37.83 36.66 3ek1 s LYS 229 CO 0.22 -0.13 -0.19 -1.17 0.16 0.00 0.00 175.35 174.24 3ek1 s LEU 230 N 1.63 2.46 -0.08 5.43 2.96 -0.03 -1.04 118.68 130.01 3ek1 s LEU 230 Ca -0.09 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3ek1 s LEU 230 Cb -0.05 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.20 3ek1 s LEU 230 CO -0.18 0.32 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.53 3ek1 s SER 231 N -0.86 1.76 -0.05 3.68 0.15 0.04 -1.34 113.70 117.08 3ek1 s SER 231 Ca 0.12 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.53 3ek1 s SER 231 Cb -0.10 -0.74 0.01 0.00 -1.71 0.00 0.00 66.02 63.48 3ek1 s SER 231 CO 0.01 -0.05 -0.09 0.12 1.20 0.00 0.00 173.24 174.42 3ek1 s PHE 232 N 1.17 1.14 -0.14 3.44 5.36 -0.02 -1.78 117.98 127.15 3ek1 s PHE 232 Ca -0.06 -0.36 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 3ek1 s PHE 232 Cb -0.14 -0.86 0.01 0.00 -0.34 0.00 0.00 43.02 41.69 3ek1 s PHE 232 CO -0.02 -0.20 -0.21 0.99 -1.46 0.00 0.00 175.22 174.32 3ek1 s THR 233 N 0.57 2.01 -3.96 0.12 2.01 -1.09 -1.30 115.64 114.01 3ek1 s THR 233 Ca -0.10 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 60.95 3ek1 s THR 233 Cb -0.13 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3ek1 s THR 233 CO 0.02 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3ek1 n GLY 234 N 4.10 -0.54 3.75 4.40 0.00 -0.47 -3.34 105.19 113.08 3ek1 n GLY 234 Ca -0.20 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3ek1 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 235 N -4.00 5.18 0.21 1.61 1.04 -1.26 -3.93 113.70 112.55 3ek1 s SER 235 Ca 0.00 2.73 -0.10 0.00 0.48 0.00 0.00 55.95 59.06 3ek1 s SER 235 Cb 0.00 -2.63 0.17 0.00 0.10 0.00 0.00 66.02 63.65 3ek1 s SER 235 CO 0.00 -1.62 1.87 0.74 0.98 0.00 0.00 173.24 175.21 3ek1 h THR 236 N 1.31 1.21 -0.45 2.02 2.02 -1.91 -1.69 112.91 115.41 3ek1 h THR 236 Ca -0.51 -0.42 0.09 0.00 0.77 0.00 0.00 66.41 66.34 3ek1 h THR 236 Cb 1.30 0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 67.71 3ek1 h THR 236 CO 0.57 0.21 -0.13 -0.33 0.37 0.00 0.00 175.52 176.21 3ek1 h GLU 237 N 1.07 -0.02 -0.37 6.66 3.07 -1.98 0.42 114.58 123.43 3ek1 h GLU 237 Ca 0.28 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.08 3ek1 h GLU 237 Cb -0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3ek1 h GLU 237 CO -0.06 -0.01 -0.04 0.28 -1.40 0.00 0.00 179.01 177.78 3ek1 h VAL 238 N -0.02 1.27 -0.80 3.13 2.07 -1.88 -2.93 116.25 117.10 3ek1 h VAL 238 Ca 0.22 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3ek1 h VAL 238 Cb 0.35 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3ek1 h VAL 238 CO -0.48 0.36 0.40 1.23 0.02 0.00 0.00 177.57 179.10 3ek1 h GLY 239 N 0.48 1.21 0.80 2.17 0.00 -0.57 0.12 103.07 107.30 3ek1 h GLY 239 Ca 0.10 -0.58 0.05 0.00 0.00 0.00 0.00 47.33 46.90 3ek1 h GLY 239 CO 0.03 0.55 0.62 3.21 0.00 0.00 0.00 176.54 180.94 3ek1 h ARG 240 N 1.13 1.12 -0.07 4.80 3.08 -0.13 -1.05 114.38 123.26 3ek1 h ARG 240 Ca 0.28 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 3ek1 h ARG 240 Cb 0.08 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.88 3ek1 h ARG 240 CO -0.04 0.74 -0.16 -0.07 -1.07 0.00 0.00 179.97 179.37 3ek1 h LEU 241 N 1.16 0.27 -0.59 3.04 3.38 -0.96 -2.66 115.31 118.95 3ek1 h LEU 241 Ca 0.40 -0.57 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3ek1 h LEU 241 Cb 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3ek1 h LEU 241 CO -0.15 0.80 0.23 -0.07 0.09 0.00 0.00 178.44 179.34 3ek1 h LEU 242 N -0.24 0.24 -0.80 1.67 3.38 -0.74 0.31 115.31 119.12 3ek1 h LEU 242 Ca 0.00 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3ek1 h LEU 242 Cb 0.76 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 3ek1 h LEU 242 CO 0.04 0.15 0.52 -0.03 0.09 0.00 0.00 178.44 179.21 3ek1 h MET 243 N 0.41 1.03 -0.39 1.13 4.05 -1.22 0.22 114.93 120.16 3ek1 h MET 243 Ca 0.29 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.64 3ek1 h MET 243 Cb 0.34 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.89 3ek1 h MET 243 CO -0.28 0.68 0.21 0.00 0.23 0.00 0.00 176.91 177.75 3ek1 h ALA 244 N 1.30 0.49 -0.33 0.39 0.00 -0.92 -2.32 119.26 117.88 3ek1 h ALA 244 Ca 0.30 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3ek1 h ALA 244 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3ek1 h ALA 244 CO -0.08 0.02 0.22 1.96 0.00 0.00 0.00 179.25 181.37 3ek1 h GLN 245 N 0.50 0.27 0.00 0.00 4.20 0.28 -2.33 115.11 118.04 3ek1 h GLN 245 Ca 0.14 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3ek1 h GLN 245 Cb 0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 3ek1 h GLN 245 CO -0.02 0.18 -0.08 0.00 -0.67 0.00 0.00 178.83 178.24 3ek1 h ALA 247 N 1.92 0.84 -0.12 0.00 0.00 -1.19 -1.53 119.26 119.18 3ek1 h ALA 247 Ca -0.00 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3ek1 h ALA 247 Cb 0.71 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ek1 h ALA 247 CO 0.01 0.50 0.10 -1.35 0.00 0.00 0.00 179.25 178.51 3ek1 h PRO 248 N 0.92 0.00 -0.35 0.00 0.11 -1.77 0.60 132.00 131.51 3ek1 h PRO 248 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3ek1 h PRO 248 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3ek1 h PRO 248 CO -0.01 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.03 3ek1 n THR 249 N -4.18 1.20 -3.85 -1.15 -2.24 -1.11 -5.00 114.28 97.95 3ek1 n THR 249 Ca -0.00 -1.13 -0.28 0.00 -2.27 0.00 0.00 64.05 60.37 3ek1 n THR 249 Cb 0.22 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.41 -2.66 -2.31 2.28 2.08 0.20 -4.90 119.36 114.45 3ek1 n ILE 250 Ca 0.14 -0.13 -0.35 0.00 0.56 0.00 0.00 62.75 62.97 3ek1 n ILE 250 Cb 0.51 -3.12 -0.01 0.00 -0.75 0.00 0.00 39.64 36.27 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 -6.45 3.44 0.36 0.38 1.02 -0.87 -4.99 119.74 112.63 3ek1 s LYS 251 Ca 0.50 1.55 -0.27 0.00 0.02 0.00 0.00 55.97 57.77 3ek1 s LYS 251 Cb -0.25 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.95 3ek1 s LYS 251 CO 0.82 -0.76 1.23 1.03 -0.92 0.00 0.00 175.35 176.74 3ek1 s ARG 252 N -3.29 4.22 -0.05 1.68 1.81 -0.98 -4.91 118.95 117.44 3ek1 s ARG 252 Ca 0.71 2.01 -0.03 0.00 -1.72 0.00 0.00 55.73 56.71 3ek1 s ARG 252 Cb -0.22 -2.89 0.02 0.00 -0.45 0.00 0.00 34.95 31.41 3ek1 s ARG 252 CO 0.26 -0.23 0.11 -1.50 -0.68 0.00 0.00 175.30 173.26 3ek1 s ILE 253 N -1.26 -0.02 -0.06 1.52 2.07 -1.26 -0.85 121.20 121.34 3ek1 s ILE 253 Ca 0.52 0.09 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 3ek1 s ILE 253 Cb -0.35 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 3ek1 s ILE 253 CO 0.45 0.03 -0.19 -0.44 -1.91 0.00 0.00 174.94 172.89 3ek1 s SER 254 N 0.55 3.60 -0.04 4.50 0.01 -0.45 -4.75 113.70 117.12 3ek1 s SER 254 Ca -0.04 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.88 3ek1 s SER 254 Cb -0.06 -0.91 0.01 0.00 0.21 0.00 0.00 66.02 65.27 3ek1 s SER 254 CO -0.02 0.28 -0.07 -0.76 0.41 0.00 0.00 173.24 173.07 3ek1 s LEU 255 N -0.35 1.55 -0.28 2.44 1.43 -0.31 -0.84 118.68 122.33 3ek1 s LEU 255 Ca 0.03 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 3ek1 s LEU 255 Cb -0.12 -0.54 0.07 0.00 0.03 0.00 0.00 46.19 45.62 3ek1 s LEU 255 CO 0.02 0.00 -0.08 -1.61 0.23 0.00 0.00 176.35 174.92 3ek1 s GLU 256 N 0.62 2.12 0.00 1.70 0.41 -0.42 -1.31 118.70 121.83 3ek1 s GLU 256 Ca -0.10 -1.44 0.00 0.00 -0.41 0.00 0.00 54.97 53.02 3ek1 s GLU 256 Cb -0.13 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 3ek1 s GLU 256 CO 0.01 -0.64 0.00 1.28 -0.49 0.00 0.00 175.26 175.42 3ek1 n LEU 257 N 4.41 0.00 -4.79 1.80 4.77 0.39 -1.37 117.00 122.21 3ek1 n LEU 257 Ca -0.11 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.53 3ek1 n LEU 257 Cb 0.42 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3ek1 n LEU 257 CO 0.21 0.00 0.75 -0.83 -1.33 0.00 0.00 177.39 176.19 3ek1 s GLY 258 N 0.00 2.50 0.00 -0.72 0.00 -1.25 -4.78 107.32 103.06 3ek1 s GLY 258 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.40 3ek1 s GLY 258 CO 0.00 1.01 0.00 0.61 0.00 0.00 0.00 173.10 174.72 3ek1 n GLY 259 N -0.16 6.04 2.67 0.20 0.00 -1.26 -4.30 105.19 108.38 3ek1 n GLY 259 Ca 0.10 -2.10 -0.04 0.00 0.00 0.00 0.00 46.02 43.98 3ek1 n GLY 259 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ek1 n ASN 260 N -0.47 -1.39 -4.67 1.61 5.15 -1.26 -4.73 115.26 109.50 3ek1 n ASN 260 Ca 0.00 -1.93 -0.42 0.00 -0.60 0.00 0.00 54.58 51.62 3ek1 n ASN 260 Cb 0.00 0.92 -0.03 0.00 -0.53 0.00 0.00 39.78 40.15 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 0.13 3.62 0.27 5.20 0.00 -1.26 -4.80 121.76 124.92 3ek1 s ALA 261 Ca 0.25 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 3ek1 s ALA 261 Cb 0.23 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 3ek1 s ALA 261 CO -0.12 -1.19 0.83 -1.25 0.00 0.00 0.00 175.76 174.03 3ek1 s PRO 262 N 3.31 4.42 -0.27 0.00 0.04 -1.26 -0.52 135.00 140.73 3ek1 s PRO 262 Ca 0.68 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 3ek1 s PRO 262 Cb -0.32 -2.86 0.08 0.00 0.04 0.00 0.00 34.50 31.44 3ek1 s PRO 262 CO 0.27 0.35 0.04 0.12 0.04 0.00 0.00 177.00 177.82 3ek1 s PHE 263 N -1.55 1.90 -0.17 0.56 5.36 0.10 -1.14 117.98 123.05 3ek1 s PHE 263 Ca 0.46 -1.65 -0.04 0.00 -0.96 0.00 0.00 56.93 54.74 3ek1 s PHE 263 Cb -0.18 -1.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 3ek1 s PHE 263 CO 0.22 -0.80 -0.02 0.42 -1.46 0.00 0.00 175.22 173.59 3ek1 s ILE 264 N 1.56 4.04 -0.26 3.12 1.01 0.03 0.00 121.20 130.69 3ek1 s ILE 264 Ca 0.04 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3ek1 s ILE 264 Cb -0.18 -2.79 0.06 0.00 0.01 0.00 0.00 42.46 39.56 3ek1 s ILE 264 CO -0.15 0.48 -0.10 -0.69 0.00 0.00 0.00 174.94 174.47 3ek1 s VAL 265 N 0.47 2.27 0.62 2.92 1.01 0.21 -0.88 120.40 127.02 3ek1 s VAL 265 Ca -0.02 -1.55 -0.09 0.00 0.00 0.00 0.00 61.98 60.31 3ek1 s VAL 265 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3ek1 s VAL 265 CO 0.02 0.01 1.00 -0.36 0.00 0.00 0.00 175.10 175.76 3ek1 s PHE 266 N 1.13 3.45 0.48 5.22 0.08 -1.09 -0.45 117.98 126.80 3ek1 s PHE 266 Ca -0.07 1.03 0.18 0.00 0.12 0.00 0.00 56.93 58.19 3ek1 s PHE 266 Cb -0.19 -2.78 1.19 0.00 -0.57 0.00 0.00 43.02 40.66 3ek1 s PHE 266 CO -0.05 -0.82 2.00 -0.44 -0.10 0.00 0.00 175.22 175.81 3ek1 h ASP 267 N -0.33 0.20 -0.52 1.36 3.32 -1.89 -1.21 116.42 117.36 3ek1 h ASP 267 Ca -0.45 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.53 3ek1 h ASP 267 Cb 1.22 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 3ek1 h ASP 267 CO 0.62 0.12 0.09 -0.90 -1.72 0.00 0.00 179.24 177.45 3ek1 n ASP 268 N -4.45 4.58 -4.77 6.45 5.75 -1.26 -4.90 116.55 117.96 3ek1 n ASP 268 Ca 0.09 -2.84 -0.34 0.00 -0.01 0.00 0.00 54.79 51.68 3ek1 n ASP 268 Cb 0.44 -0.67 0.03 0.00 -1.03 0.00 0.00 41.12 39.88 3ek1 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ek1 s ALA 269 N -2.45 2.56 -0.51 2.12 0.00 -0.46 -1.66 121.76 121.36 3ek1 s ALA 269 Ca 0.44 0.72 -0.27 0.00 0.00 0.00 0.00 51.96 52.85 3ek1 s ALA 269 Cb 0.34 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 3ek1 s ALA 269 CO 0.12 -1.06 1.79 0.34 0.00 0.00 0.00 175.76 176.95 3ek1 s ASP 270 N -2.11 5.57 0.11 0.00 -1.08 -1.26 -4.88 116.67 113.01 3ek1 s ASP 270 Ca 0.71 0.65 -0.17 0.00 -0.52 0.00 0.00 52.55 53.22 3ek1 s ASP 270 Cb -0.23 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.65 3ek1 s ASP 270 CO 0.34 -2.08 1.56 0.25 0.52 0.00 0.00 175.17 175.76 3ek1 h LEU 271 N 15.16 0.54 -0.70 -1.34 5.85 -1.94 -1.51 115.31 131.38 3ek1 h LEU 271 Ca -0.28 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 3ek1 h LEU 271 Cb 1.16 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3ek1 h LEU 271 CO 1.15 0.70 0.40 0.44 -0.34 0.00 0.00 178.44 180.79 3ek1 h ASP 272 N 0.37 0.86 -0.41 1.25 5.19 -1.99 -0.07 116.42 121.62 3ek1 h ASP 272 Ca 0.10 -0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.49 3ek1 h ASP 272 Cb 0.40 -0.22 -0.06 0.00 0.18 0.00 0.00 39.33 39.64 3ek1 h ASP 272 CO 0.01 0.69 0.05 0.00 -3.12 0.00 0.00 179.24 176.87 3ek1 h ALA 273 N 1.20 0.42 -0.58 3.45 0.00 -1.83 -1.18 119.26 120.75 3ek1 h ALA 273 Ca 0.25 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.19 3ek1 h ALA 273 Cb 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3ek1 h ALA 273 CO -0.04 -0.35 0.09 0.00 0.00 0.00 0.00 179.25 178.95 3ek1 h ALA 274 N 1.33 1.08 -0.19 0.00 0.00 -0.58 -0.43 119.26 120.48 3ek1 h ALA 274 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 274 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3ek1 h ALA 274 CO -0.29 0.60 0.12 0.28 0.00 0.00 0.00 179.25 179.95 3ek1 h VAL 275 N 0.88 1.04 -0.53 0.00 2.07 -0.77 0.95 116.25 119.89 3ek1 h VAL 275 Ca 0.18 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.62 3ek1 h VAL 275 Cb 0.38 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3ek1 h VAL 275 CO 0.01 0.04 0.34 0.44 0.02 0.00 0.00 177.57 178.43 3ek1 h ASP 276 N 0.24 0.62 -0.23 0.57 3.32 -0.76 -0.89 116.42 119.30 3ek1 h ASP 276 Ca 0.07 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3ek1 h ASP 276 Cb -0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3ek1 h ASP 276 CO -0.02 0.47 0.05 1.23 -1.72 0.00 0.00 179.24 179.25 3ek1 h GLY 277 N 0.72 0.25 -0.11 2.75 0.00 -1.04 -1.82 103.07 103.83 3ek1 h GLY 277 Ca 0.19 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.59 3ek1 h GLY 277 CO -0.04 -0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.25 3ek1 h ALA 278 N 1.16 0.01 -0.59 3.60 0.00 -0.60 -0.04 119.26 122.81 3ek1 h ALA 278 Ca 0.10 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3ek1 h ALA 278 Cb 0.10 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3ek1 h ALA 278 CO -0.13 -0.62 0.34 0.52 0.00 0.00 0.00 179.25 179.36 3ek1 h MET 279 N -0.17 0.63 -0.01 0.00 2.07 -1.01 0.20 114.93 116.65 3ek1 h MET 279 Ca 0.20 -0.04 -0.22 0.00 -2.07 0.00 0.00 59.70 57.58 3ek1 h MET 279 Cb 0.49 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.07 3ek1 h MET 279 CO -0.53 0.42 -0.91 0.28 1.07 0.00 0.00 176.91 177.24 3ek1 h VAL 280 N 0.65 1.42 0.00 -2.22 2.07 -1.16 -2.32 116.25 114.69 3ek1 h VAL 280 Ca 0.25 -2.45 -0.06 0.00 0.82 0.00 0.00 66.70 65.27 3ek1 h VAL 280 Cb 0.09 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3ek1 h VAL 280 CO -0.14 0.73 -0.50 0.77 0.02 0.00 0.00 177.57 178.45 3ek1 h SER 281 N 0.21 0.00 0.07 0.57 4.64 -0.56 -3.23 113.55 115.26 3ek1 h SER 281 Ca -0.07 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.95 3ek1 h SER 281 Cb 1.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.60 3ek1 h SER 281 CO 0.15 0.24 -1.63 0.50 -0.87 0.00 0.00 176.83 175.22 3ek1 h LYS 282 N 0.00 0.14 -0.01 4.77 1.63 -0.67 -2.81 116.57 119.62 3ek1 h LYS 282 Ca -0.02 -0.24 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 3ek1 h LYS 282 Cb 1.20 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 3ek1 h LYS 282 CO 0.03 1.12 -0.41 0.66 -3.45 0.00 0.00 179.45 177.39 3ek1 n TYR 283 N -3.95 0.00 -2.07 1.91 4.01 -0.87 -2.66 117.16 113.52 3ek1 n TYR 283 Ca -0.32 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.02 3ek1 n TYR 283 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.89 3ek1 n TYR 283 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3ek1 s ARG 284 N -2.11 4.09 -1.09 -0.72 3.52 -1.22 -1.25 118.95 120.18 3ek1 s ARG 284 Ca 0.14 2.18 -0.03 0.00 -0.13 0.00 0.00 55.73 57.89 3ek1 s ARG 284 Cb 0.14 -2.86 0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3ek1 s ARG 284 CO 0.47 -0.40 0.19 -1.71 -0.81 0.00 0.00 175.30 173.04 3ek1 n ASN 285 N 0.34 -3.74 -2.16 -2.12 5.15 -1.26 -0.80 115.26 110.67 3ek1 n ASN 285 Ca 0.02 -0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.82 3ek1 n ASN 285 Cb 0.43 -3.15 -0.03 0.00 -0.53 0.00 0.00 39.78 36.50 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 -2.73 -0.56 -0.94 5.20 0.00 -0.38 -0.90 120.51 120.20 3ek1 n ALA 286 Ca -0.09 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3ek1 n ALA 286 Cb 0.58 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3ek1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 287 N -0.77 0.52 2.75 0.00 0.00 0.02 -1.93 105.19 105.77 3ek1 n GLY 287 Ca -0.20 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.94 4.32 -4.32 1.61 6.02 -0.08 -2.80 117.38 119.19 3ek1 n GLN 288 Ca 0.00 -4.25 -0.26 0.00 -0.01 0.00 0.00 57.00 52.49 3ek1 n GLN 288 Cb 0.00 -2.38 -0.13 0.00 1.02 0.00 0.00 30.24 28.75 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 -4.65 1.90 -0.66 5.09 -4.23 -1.26 -4.81 115.64 107.01 3ek1 s THR 289 Ca 0.44 -1.62 0.25 0.00 -1.18 0.00 0.00 61.69 59.59 3ek1 s THR 289 Cb 0.29 -1.71 0.27 0.00 1.34 0.00 0.00 72.50 72.69 3ek1 s THR 289 CO -0.24 -0.01 1.76 0.00 -0.54 0.00 0.00 174.62 175.58 3ek1 n VAL 291 N -2.21 0.00 -1.62 0.00 0.24 -1.26 -4.24 118.33 109.24 3ek1 n VAL 291 Ca 0.04 -0.07 -0.46 0.00 -2.04 0.00 0.00 64.34 61.81 3ek1 n VAL 291 Cb 0.36 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 3ek1 n VAL 291 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 n ALA 293 N 1.54 -1.13 -0.06 0.00 0.00 -1.06 -4.12 120.51 115.68 3ek1 n ALA 293 Ca 0.13 0.47 -0.05 0.00 0.00 0.00 0.00 53.44 53.98 3ek1 n ALA 293 Cb 0.29 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 3ek1 n ALA 293 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ek1 n ASN 294 N 4.18 1.73 -3.83 0.00 5.15 0.32 -4.74 115.26 118.08 3ek1 n ASN 294 Ca 0.28 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 54.01 3ek1 n ASN 294 Cb 0.03 0.90 -0.17 0.00 -0.53 0.00 0.00 39.78 40.01 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 -2.38 0.98 -0.42 1.20 0.52 -0.61 -4.63 118.95 113.61 3ek1 s ARG 295 Ca -0.06 -0.05 -0.12 0.00 -0.52 0.00 0.00 55.73 54.98 3ek1 s ARG 295 Cb 0.04 -1.20 0.06 0.00 0.52 0.00 0.00 34.95 34.37 3ek1 s ARG 295 CO 0.55 -0.27 0.29 0.42 0.02 0.00 0.00 175.30 176.30 3ek1 s ILE 296 N 1.80 4.73 -0.26 1.52 1.01 -0.67 0.02 121.20 129.35 3ek1 s ILE 296 Ca 0.04 -1.08 -0.14 0.00 0.00 0.00 0.00 60.65 59.47 3ek1 s ILE 296 Cb -0.13 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 3ek1 s ILE 296 CO -0.06 -0.44 0.32 -0.31 0.00 0.00 0.00 174.94 174.45 3ek1 s TYR 297 N 1.55 3.27 -0.07 3.97 2.02 0.10 -0.63 117.35 127.56 3ek1 s TYR 297 Ca 0.03 0.37 0.04 0.00 -0.37 0.00 0.00 57.07 57.14 3ek1 s TYR 297 Cb -0.22 -2.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 3ek1 s TYR 297 CO 0.05 -0.15 -0.19 0.08 -1.57 0.00 0.00 175.55 173.77 3ek1 s VAL 298 N 1.79 1.66 0.33 0.71 1.01 -0.03 0.65 120.40 126.52 3ek1 s VAL 298 Ca 0.13 -0.81 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 3ek1 s VAL 298 Cb -0.15 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 3ek1 s VAL 298 CO 0.09 0.47 1.18 -1.58 0.00 0.00 0.00 175.10 175.26 3ek1 s GLN 299 N 0.27 4.37 0.16 2.72 0.74 0.41 -1.56 119.66 126.77 3ek1 s GLN 299 Ca -0.12 1.93 -0.28 0.00 0.05 0.00 0.00 55.36 56.95 3ek1 s GLN 299 Cb -0.15 -2.99 -0.00 0.00 1.10 0.00 0.00 33.01 30.97 3ek1 s GLN 299 CO 0.05 -0.07 1.56 -0.09 -0.55 0.00 0.00 175.29 176.19 3ek1 h ARG 300 N 3.30 -0.22 -0.60 1.67 9.65 -0.33 0.25 114.38 128.11 3ek1 h ARG 300 Ca -0.48 0.01 0.17 0.00 -1.10 0.00 0.00 59.98 58.59 3ek1 h ARG 300 Cb 1.22 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 3ek1 h ARG 300 CO 0.65 -0.15 0.64 0.78 2.80 0.00 0.00 179.97 184.70 3ek1 h GLY 301 N -0.23 0.00 -0.64 2.80 0.00 -1.90 -0.66 103.07 102.45 3ek1 h GLY 301 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3ek1 h GLY 301 CO -0.72 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.15 3ek1 n VAL 302 N -3.63 0.50 0.27 4.60 0.24 0.72 -4.83 118.33 116.20 3ek1 n VAL 302 Ca 0.12 -0.75 -0.16 0.00 -2.04 0.00 0.00 64.34 61.51 3ek1 n VAL 302 Cb 0.86 0.82 -0.08 0.00 -1.47 0.00 0.00 33.84 33.97 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 1.23 -0.74 -0.57 6.34 3.20 0.48 -1.00 116.97 125.92 3ek1 h TYR 303 Ca 0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3ek1 h TYR 303 Cb 0.45 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 3ek1 h TYR 303 CO 0.07 -0.44 0.22 -0.44 -1.64 0.00 0.00 178.16 175.94 3ek1 h ASP 304 N -0.71 0.79 -0.77 -2.11 3.32 -1.88 -0.88 116.42 114.18 3ek1 h ASP 304 Ca -0.05 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.78 3ek1 h ASP 304 Cb 0.58 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3ek1 h ASP 304 CO 0.06 0.75 0.30 0.50 -1.72 0.00 0.00 179.24 179.12 3ek1 h LYS 305 N 0.78 1.16 0.33 3.56 1.63 -1.88 -1.15 116.57 120.99 3ek1 h LYS 305 Ca 0.19 -0.21 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3ek1 h LYS 305 Cb 0.21 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 3ek1 h LYS 305 CO -0.01 0.94 -0.23 0.35 -3.45 0.00 0.00 179.45 177.05 3ek1 h PHE 306 N 1.13 -0.60 -0.09 1.91 3.57 -0.90 -2.00 116.94 119.96 3ek1 h PHE 306 Ca 0.26 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.79 3ek1 h PHE 306 Cb 0.23 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 3ek1 h PHE 306 CO 0.02 -0.35 -0.23 0.00 -2.23 0.00 0.00 178.31 175.52 3ek1 h ALA 307 N 0.07 -0.23 -0.86 2.41 0.00 -0.76 0.19 119.26 120.08 3ek1 h ALA 307 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 307 Cb 0.47 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3ek1 h ALA 307 CO 0.01 -0.70 0.43 1.05 0.00 0.00 0.00 179.25 180.05 3ek1 h GLU 308 N -0.31 1.22 -0.79 0.00 4.11 -1.26 0.21 114.58 117.76 3ek1 h GLU 308 Ca 0.09 -0.17 -0.04 0.00 0.07 0.00 0.00 59.36 59.31 3ek1 h GLU 308 Cb 0.44 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3ek1 h GLU 308 CO -0.26 0.92 0.35 0.87 0.07 0.00 0.00 179.01 180.96 3ek1 h LYS 309 N 1.21 1.15 -0.27 1.06 1.57 -0.66 -2.35 116.57 118.28 3ek1 h LYS 309 Ca 0.30 -0.18 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3ek1 h LYS 309 Cb 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3ek1 h LYS 309 CO -0.04 0.91 -0.15 1.25 -0.57 0.00 0.00 179.45 180.84 3ek1 h LEU 310 N 1.13 0.60 -0.60 2.94 5.85 0.06 -3.06 115.31 122.23 3ek1 h LEU 310 Ca 0.27 -0.42 0.12 0.00 0.84 0.00 0.00 57.88 58.69 3ek1 h LEU 310 Cb 0.16 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 40.91 3ek1 h LEU 310 CO -0.03 0.89 -0.14 0.00 -0.34 0.00 0.00 178.44 178.82 3ek1 h ALA 311 N 0.73 0.41 -0.65 1.25 0.00 -0.29 -1.97 119.26 118.74 3ek1 h ALA 311 Ca 0.06 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3ek1 h ALA 311 Cb 0.67 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3ek1 h ALA 311 CO 0.04 -0.43 0.43 0.00 0.00 0.00 0.00 179.25 179.30 3ek1 h ALA 312 N 1.60 0.83 -0.38 0.00 0.00 -1.37 -1.46 119.26 118.48 3ek1 h ALA 312 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3ek1 h ALA 312 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ek1 h ALA 312 CO -0.61 0.26 0.11 0.87 0.00 0.00 0.00 179.25 179.88 3ek1 h LYS 313 N 0.89 0.59 -0.56 0.00 1.79 -1.30 -3.11 116.57 114.86 3ek1 h LYS 313 Ca 0.24 -0.13 0.04 0.00 -2.18 0.00 0.00 60.65 58.62 3ek1 h LYS 313 Cb -0.09 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.43 3ek1 h LYS 313 CO -0.05 0.61 0.32 0.28 -1.08 0.00 0.00 179.45 179.53 3ek1 h VAL 314 N 0.46 1.01 -0.99 0.50 2.07 -0.91 -2.07 116.25 116.32 3ek1 h VAL 314 Ca 0.12 -0.21 0.16 0.00 0.82 0.00 0.00 66.70 67.59 3ek1 h VAL 314 Cb 0.27 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 3ek1 h VAL 314 CO -0.00 0.11 0.62 0.50 0.02 0.00 0.00 177.57 178.82 3ek1 h LYS 315 N 0.62 0.81 0.00 1.57 3.64 -1.22 -1.09 116.57 120.90 3ek1 h LYS 315 Ca 0.24 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3ek1 h LYS 315 Cb 0.09 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3ek1 h LYS 315 CO -0.13 0.53 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 3ek1 n GLU 316 N -4.68 0.14 -2.12 1.90 -0.58 -0.78 -4.84 120.64 109.68 3ek1 n GLU 316 Ca 0.21 0.35 -0.42 0.00 -0.42 0.00 0.00 57.16 56.88 3ek1 n GLU 316 Cb 0.49 -1.75 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 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 -4.00 4.34 -0.27 -4.62 1.43 -0.41 -5.00 118.68 110.15 3ek1 s LEU 317 Ca 0.06 2.28 -0.20 0.00 -1.03 0.00 0.00 54.13 55.23 3ek1 s LEU 317 Cb 0.10 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 3ek1 s LEU 317 CO 0.37 -0.75 0.62 -0.75 0.23 0.00 0.00 176.35 176.06 3ek1 s LYS 318 N 2.13 4.04 -0.15 1.70 2.47 -1.26 -4.96 119.74 123.70 3ek1 s LYS 318 Ca 0.67 0.45 -0.13 0.00 -1.56 0.00 0.00 55.97 55.40 3ek1 s LYS 318 Cb -0.35 -3.67 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 3ek1 s LYS 318 CO 0.29 -0.46 0.29 0.08 0.16 0.00 0.00 175.35 175.71 3ek1 s VAL 319 N 2.53 5.30 -0.71 4.02 1.01 -1.26 -0.98 120.40 130.30 3ek1 s VAL 319 Ca 0.25 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3ek1 s VAL 319 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.60 3ek1 s VAL 319 CO 0.10 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3ek1 n GLY 320 N 3.20 -1.27 3.69 4.51 0.00 -0.06 -4.97 105.19 110.30 3ek1 n GLY 320 Ca -0.12 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3ek1 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ek1 s ASN 321 N -3.70 6.78 0.66 1.61 3.84 -1.26 -4.18 114.94 118.69 3ek1 s ASN 321 Ca 0.00 2.22 0.36 0.00 0.21 0.00 0.00 52.86 55.65 3ek1 s ASN 321 Cb 0.00 -2.56 1.97 0.00 -0.55 0.00 0.00 41.25 40.11 3ek1 s ASN 321 CO 0.00 -0.77 2.13 1.23 -2.79 0.00 0.00 177.10 176.90 3ek1 h GLY 322 N 8.48 0.00 0.50 1.21 0.00 -1.84 0.62 103.07 112.03 3ek1 h GLY 322 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3ek1 h GLY 322 CO 0.91 0.00 -0.02 -1.30 0.00 0.00 0.00 176.54 176.13 3ek1 n THR 323 N -3.10 0.00 -3.43 4.70 -2.24 -1.26 -1.34 114.28 107.60 3ek1 n THR 323 Ca -0.02 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.28 3ek1 n THR 323 Cb 0.25 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.11 4.03 0.33 -0.78 0.41 0.22 -4.99 118.70 115.81 3ek1 s GLU 324 Ca 0.40 0.48 -0.29 0.00 -0.41 0.00 0.00 54.97 55.16 3ek1 s GLU 324 Cb 0.21 -3.25 -0.12 0.00 -1.78 0.00 0.00 34.13 29.19 3ek1 s GLU 324 CO 0.38 0.62 1.48 -2.30 -0.49 0.00 0.00 175.26 174.95 3ek1 n PRO 325 N 2.02 2.52 0.00 0.39 -0.02 -1.26 -2.33 135.00 136.31 3ek1 n PRO 325 Ca -0.12 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3ek1 n PRO 325 Cb 0.52 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3ek1 n PRO 325 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ek1 n GLY 326 N 1.24 2.48 3.71 -1.23 0.00 -1.26 -5.01 105.19 105.12 3ek1 n GLY 326 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.72 3.47 -0.12 1.61 1.01 -0.99 -4.49 120.40 118.18 3ek1 s VAL 327 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.03 3ek1 s VAL 327 Cb 0.00 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3ek1 s VAL 327 CO 0.00 0.06 0.12 1.33 0.00 0.00 0.00 175.10 176.61 3ek1 n VAL 328 N 4.12 0.00 -4.14 2.92 0.24 -0.15 -4.81 118.33 116.51 3ek1 n VAL 328 Ca 0.12 -0.38 -0.27 0.00 -2.04 0.00 0.00 64.34 61.77 3ek1 n VAL 328 Cb 0.43 0.92 -0.17 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.42 1.16 0.00 1.34 -1.09 -0.63 -4.83 121.20 115.74 3ek1 s ILE 329 Ca 0.01 -0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 3ek1 s ILE 329 Cb 0.02 -1.12 0.00 0.00 -1.58 0.00 0.00 42.46 39.78 3ek1 s ILE 329 CO 0.12 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 3ek1 n GLY 330 N 4.57 0.31 3.81 6.18 0.00 -1.26 -0.88 105.19 117.92 3ek1 n GLY 330 Ca -0.16 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.67 3ek1 n GLY 330 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ek1 s PRO 331 N -2.10 2.72 0.70 1.61 0.04 -1.26 -4.75 135.00 131.96 3ek1 s PRO 331 Ca 0.00 0.96 -0.13 0.00 0.04 0.00 0.00 61.00 61.86 3ek1 s PRO 331 Cb 0.00 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.59 3ek1 s PRO 331 CO 0.00 -1.25 1.10 -1.64 0.04 0.00 0.00 177.00 175.25 3ek1 s MET 332 N -5.03 2.64 0.33 4.56 -1.94 0.32 -4.78 119.30 115.40 3ek1 s MET 332 Ca 0.59 1.29 0.06 0.00 -1.71 0.00 0.00 55.69 55.91 3ek1 s MET 332 Cb -0.15 -1.94 0.57 0.00 2.01 0.00 0.00 34.83 35.33 3ek1 s MET 332 CO 0.55 -1.36 1.81 0.97 -0.01 0.00 0.00 175.02 176.98 3ek1 h ILE 333 N -0.38 1.23 -2.30 2.53 6.09 -1.87 -3.46 117.51 119.35 3ek1 h ILE 333 Ca -0.45 -1.07 0.03 0.00 -1.37 0.00 0.00 64.86 61.99 3ek1 h ILE 333 Cb 1.24 1.30 -0.16 0.00 0.47 0.00 0.00 36.82 39.66 3ek1 h ILE 333 CO 0.53 0.34 0.36 -1.83 -3.07 0.00 0.00 178.15 174.48 3ek1 s GLU 334 N -4.58 0.96 0.30 2.19 -1.05 -1.26 -4.90 118.70 110.35 3ek1 s GLU 334 Ca -0.06 -0.16 0.06 0.00 -0.15 0.00 0.00 54.97 54.66 3ek1 s GLU 334 Cb 0.15 0.44 0.81 0.00 -0.44 0.00 0.00 34.13 35.09 3ek1 s GLU 334 CO 0.76 -0.38 1.66 0.93 0.95 0.00 0.00 175.26 179.18 3ek1 h GLU 335 N 2.30 0.26 0.00 -4.83 5.08 -1.95 0.68 114.58 116.12 3ek1 h GLU 335 Ca -0.26 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3ek1 h GLU 335 Cb 1.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3ek1 h GLU 335 CO 0.35 0.17 -0.08 1.57 -1.00 0.00 0.00 179.01 180.02 3ek1 h LYS 336 N 0.27 0.00 -0.67 2.33 2.10 -2.00 -1.01 116.57 117.60 3ek1 h LYS 336 Ca 0.60 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.18 3ek1 h LYS 336 Cb 1.25 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 3ek1 h LYS 336 CO -0.62 0.08 0.14 0.00 -2.00 0.00 0.00 179.45 177.05 3ek1 h ALA 337 N 1.92 0.99 -0.42 0.07 0.00 -1.27 -2.65 119.26 117.88 3ek1 h ALA 337 Ca -0.00 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 3ek1 h ALA 337 Cb 0.53 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3ek1 h ALA 337 CO 0.01 0.65 -0.23 0.82 0.00 0.00 0.00 179.25 180.50 3ek1 h ILE 338 N 1.01 1.28 -0.58 0.00 2.04 -1.18 -2.67 117.51 117.42 3ek1 h ILE 338 Ca 0.21 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.73 3ek1 h ILE 338 Cb 0.39 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.67 3ek1 h ILE 338 CO 0.01 0.47 0.31 0.74 0.00 0.00 0.00 178.15 179.67 3ek1 h THR 339 N 0.73 0.97 -0.27 -0.27 2.02 -1.35 -0.46 112.91 114.28 3ek1 h THR 339 Ca 0.09 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.08 3ek1 h THR 339 Cb 0.80 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3ek1 h THR 339 CO 0.07 0.11 0.15 0.50 0.37 0.00 0.00 175.52 176.71 3ek1 h LYS 340 N 0.59 0.30 -0.71 6.66 3.64 -1.38 0.25 116.57 125.91 3ek1 h LYS 340 Ca 0.25 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3ek1 h LYS 340 Cb 0.14 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 3ek1 h LYS 340 CO -0.16 0.20 0.33 0.28 -2.27 0.00 0.00 179.45 177.82 3ek1 h VAL 341 N 0.31 1.23 -0.65 2.00 2.07 -1.12 0.12 116.25 120.20 3ek1 h VAL 341 Ca 0.11 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 3ek1 h VAL 341 Cb 0.01 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3ek1 h VAL 341 CO -0.06 0.28 0.07 0.11 0.02 0.00 0.00 177.57 177.98 3ek1 h LYS 342 N 1.01 1.11 -0.51 1.57 1.57 -0.30 -1.21 116.57 119.81 3ek1 h LYS 342 Ca 0.25 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3ek1 h LYS 342 Cb 0.12 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3ek1 h LYS 342 CO -0.03 1.04 0.08 0.00 -0.57 0.00 0.00 179.45 179.97 3ek1 h ALA 343 N 1.03 0.68 -0.02 3.86 0.00 0.27 -0.52 119.26 124.56 3ek1 h ALA 343 Ca 0.19 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 343 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3ek1 h ALA 343 CO 0.02 0.41 -0.09 0.45 0.00 0.00 0.00 179.25 180.04 3ek1 h HIS 344 N 0.73 -0.23 -0.66 0.00 3.86 -0.66 -0.60 115.15 117.58 3ek1 h HIS 344 Ca 0.16 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3ek1 h HIS 344 Cb 0.40 0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.94 3ek1 h HIS 344 CO 0.03 -0.14 0.43 0.82 0.86 0.00 0.00 177.93 179.93 3ek1 h ILE 345 N -0.15 1.15 -0.30 2.45 2.04 -1.13 -1.95 117.51 119.63 3ek1 h ILE 345 Ca 0.04 -0.30 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3ek1 h ILE 345 Cb 0.20 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3ek1 h ILE 345 CO -0.10 0.16 -0.06 -0.08 0.00 0.00 0.00 178.15 178.07 3ek1 h GLU 346 N 0.88 0.56 -0.69 2.37 4.57 -0.95 -2.16 114.58 119.17 3ek1 h GLU 346 Ca 0.25 -0.21 0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3ek1 h GLU 346 Cb -0.07 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.43 3ek1 h GLU 346 CO -0.07 0.75 0.39 0.22 -1.18 0.00 0.00 179.01 179.13 3ek1 h ASP 347 N 0.33 0.60 0.21 1.04 3.58 -0.99 0.36 116.42 121.55 3ek1 h ASP 347 Ca 0.08 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3ek1 h ASP 347 Cb 0.53 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.49 3ek1 h ASP 347 CO 0.03 0.39 -0.10 0.00 -2.88 0.00 0.00 179.24 176.68 3ek1 h ALA 348 N 1.35 -0.28 -0.71 -0.78 0.00 -1.21 -2.20 119.26 115.42 3ek1 h ALA 348 Ca 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3ek1 h ALA 348 Cb 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3ek1 h ALA 348 CO -0.17 -0.56 0.21 0.28 0.00 0.00 0.00 179.25 179.01 3ek1 h VAL 349 N -0.47 1.26 -0.23 0.00 2.07 -1.26 0.32 116.25 117.95 3ek1 h VAL 349 Ca -0.03 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3ek1 h VAL 349 Cb 0.35 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3ek1 h VAL 349 CO 0.05 0.36 0.16 0.77 0.02 0.00 0.00 177.57 178.92 3ek1 h SER 350 N 1.05 0.08 -0.19 0.57 4.64 -0.90 -1.93 113.55 116.88 3ek1 h SER 350 Ca 0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3ek1 h SER 350 Cb 0.32 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ek1 h SER 350 CO -0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 3ek1 n LYS 351 N -4.49 2.07 0.00 4.77 5.02 -0.07 -4.93 118.16 120.53 3ek1 n LYS 351 Ca 0.02 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.71 3ek1 n LYS 351 Cb 0.24 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 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 1.29 1.23 3.77 0.72 0.00 -0.48 -5.06 105.19 106.66 3ek1 n GLY 352 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 3ek1 n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ek1 s ALA 353 N -2.00 2.74 -0.19 4.61 0.00 -0.21 -4.91 121.76 121.80 3ek1 s ALA 353 Ca 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 51.96 52.76 3ek1 s ALA 353 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3ek1 s ALA 353 CO 0.00 -0.75 -0.02 0.15 0.00 0.00 0.00 175.76 175.13 3ek1 s LYS 354 N -3.20 3.57 -0.58 0.00 -0.14 -0.50 -3.98 119.74 114.91 3ek1 s LYS 354 Ca 0.71 -0.55 -0.28 0.00 -1.36 0.00 0.00 55.97 54.49 3ek1 s LYS 354 Cb -0.25 -3.00 0.02 0.00 -1.68 0.00 0.00 37.83 32.93 3ek1 s LYS 354 CO 0.28 0.04 1.31 -1.17 -0.76 0.00 0.00 175.35 175.05 3ek1 s LEU 355 N 0.91 3.41 0.21 3.17 2.96 -1.26 -1.27 118.68 126.80 3ek1 s LEU 355 Ca 0.00 0.17 0.20 0.00 -0.22 0.00 0.00 54.13 54.28 3ek1 s LEU 355 Cb -0.14 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.49 3ek1 s LEU 355 CO 0.01 -1.62 1.11 0.16 -1.32 0.00 0.00 176.35 174.69 3ek1 h ILE 356 N 6.26 0.22 -2.89 6.68 3.07 -1.51 -3.47 117.51 125.86 3ek1 h ILE 356 Ca -0.26 -1.38 -0.11 0.00 1.55 0.00 0.00 64.86 64.66 3ek1 h ILE 356 Cb 1.07 1.80 -0.20 0.00 -0.27 0.00 0.00 36.82 39.22 3ek1 h ILE 356 CO 1.19 0.12 -0.22 0.28 -1.05 0.00 0.00 178.15 178.47 3ek1 s THR 357 N -3.19 0.05 0.00 0.16 -1.32 -1.23 -4.96 115.64 105.15 3ek1 s THR 357 Ca 0.00 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 3ek1 s THR 357 Cb 0.08 -0.65 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 3ek1 s THR 357 CO 0.77 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.59 3ek1 n GLY 358 N 1.39 1.45 2.22 6.08 0.00 -1.25 -2.37 105.19 112.70 3ek1 n GLY 358 Ca -0.20 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3ek1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 359 N 0.00 0.18 3.17 -0.02 0.00 0.19 -4.78 105.19 103.93 3ek1 n GLY 359 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.69 3ek1 n GLY 359 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ek1 s LYS 360 N -5.01 0.81 0.41 1.61 -2.85 -1.25 -4.95 119.74 108.52 3ek1 s LYS 360 Ca 0.11 -1.20 -0.25 0.00 -1.00 0.00 0.00 55.97 53.62 3ek1 s LYS 360 Cb -0.05 0.27 -0.08 0.00 -2.06 0.00 0.00 37.83 35.91 3ek1 s LYS 360 CO 0.32 -0.23 1.23 -1.21 0.10 0.00 0.00 175.35 175.56 3ek1 s GLU 361 N -3.94 3.97 -0.06 1.78 2.02 -1.26 -0.37 118.70 120.84 3ek1 s GLU 361 Ca 0.12 1.97 0.09 0.00 0.02 0.00 0.00 54.97 57.17 3ek1 s GLU 361 Cb 0.06 -2.68 0.15 0.00 0.10 0.00 0.00 34.13 31.77 3ek1 s GLU 361 CO -0.06 -0.43 1.09 1.28 0.02 0.00 0.00 175.26 177.16 3ek1 n LEU 362 N 0.03 2.25 0.00 1.80 4.77 -0.58 -4.84 117.00 120.43 3ek1 n LEU 362 Ca 0.04 -2.49 0.00 0.00 -0.03 0.00 0.00 56.01 53.54 3ek1 n LEU 362 Cb 0.45 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3ek1 n LEU 362 CO 0.53 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 3ek1 n GLY 363 N -0.84 1.35 7.00 -0.72 0.00 -1.25 -4.87 105.19 105.85 3ek1 n GLY 363 Ca 0.08 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3ek1 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 364 N 1.48 2.97 1.37 -0.02 0.00 -1.26 -2.12 105.19 107.61 3ek1 n GLY 364 Ca 0.00 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.83 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 3.99 -4.73 0.99 4.77 -1.26 -4.94 117.00 115.82 3ek1 n LEU 365 Ca 0.00 -2.00 -0.40 0.00 -0.03 0.00 0.00 56.01 53.58 3ek1 n LEU 365 Cb 0.00 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 40.55 3ek1 n LEU 365 CO 0.00 0.95 0.48 -0.36 -1.33 0.00 0.00 177.39 177.13 3ek1 s PHE 366 N -1.13 3.65 0.07 -1.77 0.08 -0.90 -0.52 117.98 117.46 3ek1 s PHE 366 Ca 0.49 1.42 0.08 0.00 0.12 0.00 0.00 56.93 59.04 3ek1 s PHE 366 Cb 0.26 -2.87 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 3ek1 s PHE 366 CO 0.32 0.14 -0.22 0.12 -0.10 0.00 0.00 175.22 175.48 3ek1 s PHE 367 N 0.52 1.92 -0.12 0.36 5.36 -1.26 -1.53 117.98 123.23 3ek1 s PHE 367 Ca 0.41 -0.39 -0.23 0.00 -0.96 0.00 0.00 56.93 55.76 3ek1 s PHE 367 Cb -0.19 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.34 3ek1 s PHE 367 CO 0.22 0.15 0.69 -2.00 -1.46 0.00 0.00 175.22 172.81 3ek1 s GLU 368 N -1.45 4.35 0.24 10.12 2.12 0.50 -4.89 118.70 129.69 3ek1 s GLU 368 Ca 0.08 0.80 -0.31 0.00 0.36 0.00 0.00 54.97 55.91 3ek1 s GLU 368 Cb -0.09 -3.50 -0.14 0.00 0.26 0.00 0.00 34.13 30.65 3ek1 s GLU 368 CO 0.03 -0.07 1.17 -2.30 -0.54 0.00 0.00 175.26 173.55 3ek1 n PRO 369 N 4.33 1.47 -4.13 4.30 -0.02 -1.26 -0.63 135.00 139.06 3ek1 n PRO 369 Ca -0.01 0.52 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 3ek1 n PRO 369 Cb 0.51 -2.01 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 3ek1 n PRO 369 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ek1 s GLY 370 N -0.15 1.04 -0.04 -1.23 0.00 -0.65 -3.29 107.32 103.00 3ek1 s GLY 370 Ca 0.66 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3ek1 s GLY 370 CO 0.55 -1.25 -0.02 -0.42 0.00 0.00 0.00 173.10 171.95 3ek1 s ILE 371 N -4.07 0.37 -0.12 0.90 1.01 -1.00 -0.65 121.20 117.64 3ek1 s ILE 371 Ca 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 3ek1 s ILE 371 Cb 0.06 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 3ek1 s ILE 371 CO 0.05 0.19 0.11 -0.76 0.00 0.00 0.00 174.94 174.53 3ek1 s LEU 372 N 0.99 4.19 0.33 2.97 1.43 -0.22 -1.17 118.68 127.20 3ek1 s LEU 372 Ca -0.10 0.36 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 3ek1 s LEU 372 Cb -0.14 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 3ek1 s LEU 372 CO -0.01 0.37 0.12 0.42 0.23 0.00 0.00 176.35 177.48 3ek1 s THR 373 N -0.79 3.08 -1.48 5.49 -4.23 -0.40 -1.29 115.64 116.02 3ek1 s THR 373 Ca 0.13 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3ek1 s THR 373 Cb -0.12 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3ek1 s THR 373 CO 0.03 -0.21 0.23 0.61 -0.54 0.00 0.00 174.62 174.73 3ek1 n GLY 374 N -1.10 -0.38 3.77 3.99 0.00 -1.21 -1.41 105.19 108.85 3ek1 n GLY 374 Ca -0.04 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.99 3.83 0.31 1.61 1.01 -0.85 -4.12 120.40 119.20 3ek1 s VAL 375 Ca 0.11 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.78 3ek1 s VAL 375 Cb -0.05 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3ek1 s VAL 375 CO 0.14 0.26 0.14 0.42 0.00 0.00 0.00 175.10 176.06 3ek1 s THR 376 N -1.38 0.48 -2.00 3.92 -4.23 -1.26 -4.14 115.64 107.02 3ek1 s THR 376 Ca 0.48 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.26 3ek1 s THR 376 Cb -0.25 -2.53 0.77 0.00 1.34 0.00 0.00 72.50 71.82 3ek1 s THR 376 CO 0.32 0.00 2.00 -1.54 -0.54 0.00 0.00 174.62 174.86 3ek1 n SER 377 N -0.89 0.00 -0.25 3.99 3.41 -1.26 -2.56 113.62 116.06 3ek1 n SER 377 Ca -0.00 -1.02 0.10 0.00 -0.26 0.00 0.00 58.87 57.69 3ek1 n SER 377 Cb 0.65 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.54 3ek1 n SER 377 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ek1 n ASP 378 N -0.95 1.51 -4.81 4.04 2.03 -1.26 -4.88 116.55 112.23 3ek1 n ASP 378 Ca 0.20 -1.26 -0.38 0.00 0.52 0.00 0.00 54.79 53.88 3ek1 n ASP 378 Cb 0.09 0.73 -0.06 0.00 -0.72 0.00 0.00 41.12 41.16 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3ek1 s MET 379 N -2.69 4.04 0.35 -0.67 -1.94 -1.06 -4.99 119.30 112.34 3ek1 s MET 379 Ca 0.13 0.45 0.15 0.00 -1.71 0.00 0.00 55.69 54.71 3ek1 s MET 379 Cb 0.17 -3.27 1.17 0.00 2.01 0.00 0.00 34.83 34.91 3ek1 s MET 379 CO 0.70 0.58 1.57 -0.11 -0.01 0.00 0.00 175.02 177.75 3ek1 n LEU 380 N 2.19 0.21 0.29 -0.03 7.94 -1.26 0.07 117.00 126.41 3ek1 n LEU 380 Ca -0.12 1.67 0.17 0.00 -1.11 0.00 0.00 56.01 56.61 3ek1 n LEU 380 Cb 0.52 -0.75 0.89 0.00 0.53 0.00 0.00 43.42 44.61 3ek1 n LEU 380 CO 0.39 -1.82 1.06 1.62 -1.11 0.00 0.00 177.39 177.53 3ek1 h VAL 381 N 0.00 0.33 -0.57 1.96 3.04 -1.88 0.36 116.25 119.49 3ek1 h VAL 381 Ca 0.78 -0.30 -0.03 0.00 -1.01 0.00 0.00 66.70 66.14 3ek1 h VAL 381 Cb 1.95 1.22 -0.03 0.00 -2.01 0.00 0.00 31.29 32.42 3ek1 h VAL 381 CO -0.82 0.05 0.22 0.00 -1.01 0.00 0.00 177.57 176.01 3ek1 h ALA 382 N 1.95 1.32 0.00 3.17 0.00 -0.62 -3.24 119.26 121.83 3ek1 h ALA 382 Ca -0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3ek1 h ALA 382 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ek1 h ALA 382 CO 0.01 0.51 -1.88 1.63 0.00 0.00 0.00 179.25 179.51 3ek1 n LYS 383 N -4.32 0.93 -4.89 0.00 4.76 -0.24 -5.01 118.16 109.38 3ek1 n LYS 383 Ca 0.05 -0.09 -0.31 0.00 -2.87 0.00 0.00 58.31 55.08 3ek1 n LYS 383 Cb 0.17 -1.39 -0.14 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.82 2.16 -0.11 1.97 2.12 0.11 -5.02 118.70 117.12 3ek1 s GLU 384 Ca -0.07 -0.91 -0.30 0.00 0.36 0.00 0.00 54.97 54.06 3ek1 s GLU 384 Cb 0.08 -2.18 -0.01 0.00 0.26 0.00 0.00 34.13 32.28 3ek1 s GLU 384 CO 0.66 0.56 1.03 -2.00 -0.54 0.00 0.00 175.26 174.97 3ek1 s GLU 385 N -1.05 4.40 0.12 4.30 2.12 -1.26 -4.44 118.70 122.89 3ek1 s GLU 385 Ca 0.12 1.42 -0.13 0.00 0.36 0.00 0.00 54.97 56.74 3ek1 s GLU 385 Cb -0.10 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.66 3ek1 s GLU 385 CO 0.02 -0.35 1.43 1.15 -0.54 0.00 0.00 175.26 176.97 3ek1 h THR 386 N 5.12 1.28 -6.01 -1.70 2.02 -1.90 -3.47 112.91 108.25 3ek1 h THR 386 Ca -0.30 -1.57 -0.44 0.00 0.77 0.00 0.00 66.41 64.86 3ek1 h THR 386 Cb 1.14 1.53 0.03 0.00 -1.74 0.00 0.00 68.15 69.12 3ek1 h THR 386 CO 0.87 0.52 -0.71 0.33 0.37 0.00 0.00 175.52 176.89 3ek1 n PHE 387 N -4.12 -2.50 -3.92 3.16 7.35 -1.26 -4.56 117.46 111.60 3ek1 n PHE 387 Ca -0.03 0.92 -0.10 0.00 -0.76 0.00 0.00 57.45 57.47 3ek1 n PHE 387 Cb 0.54 -4.39 -0.01 0.00 0.35 0.00 0.00 39.48 35.98 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3ek1 s GLY 388 N -3.26 0.65 -1.42 7.13 0.00 -1.12 -4.34 107.32 104.96 3ek1 s GLY 388 Ca 0.61 -0.93 -0.07 0.00 0.00 0.00 0.00 44.72 44.34 3ek1 s GLY 388 CO 0.76 -0.52 2.57 -1.55 0.00 0.00 0.00 173.10 174.36 3ek1 n PRO 389 N -0.51 4.32 -4.01 2.90 -0.04 -0.81 -4.39 135.00 132.45 3ek1 n PRO 389 Ca -0.04 -3.06 -0.30 0.00 -0.04 0.00 0.00 63.50 60.06 3ek1 n PRO 389 Cb 0.60 -2.68 -0.16 0.00 -0.04 0.00 0.00 33.50 31.22 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N -1.40 1.83 -0.44 1.53 2.96 -1.26 -1.64 118.68 120.26 3ek1 s LEU 390 Ca 0.59 -0.59 -0.15 0.00 -0.22 0.00 0.00 54.13 53.76 3ek1 s LEU 390 Cb 0.18 -1.19 0.05 0.00 0.50 0.00 0.00 46.19 45.73 3ek1 s LEU 390 CO -0.08 -0.08 0.35 0.00 -1.32 0.00 0.00 176.35 175.21 3ek1 s ALA 391 N 1.47 3.52 -0.33 5.97 0.00 0.18 -4.98 121.76 127.58 3ek1 s ALA 391 Ca 0.03 -1.91 -0.17 0.00 0.00 0.00 0.00 51.96 49.91 3ek1 s ALA 391 Cb -0.14 -2.97 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3ek1 s ALA 391 CO -0.10 -1.59 0.45 -1.25 0.00 0.00 0.00 175.76 173.27 3ek1 s PRO 392 N 1.66 3.68 -0.47 0.00 0.05 -1.26 -1.05 135.00 137.61 3ek1 s PRO 392 Ca 0.04 -0.19 -0.15 0.00 0.05 0.00 0.00 61.00 60.76 3ek1 s PRO 392 Cb -0.22 -3.78 0.07 0.00 0.05 0.00 0.00 34.50 30.63 3ek1 s PRO 392 CO 0.08 -0.54 0.39 -0.51 0.05 0.00 0.00 177.00 176.48 3ek1 s LEU 393 N 2.22 5.61 -0.21 -3.56 1.43 -0.41 -1.66 118.68 122.09 3ek1 s LEU 393 Ca 0.16 -1.33 -0.17 0.00 -1.03 0.00 0.00 54.13 51.76 3ek1 s LEU 393 Cb -0.16 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 3ek1 s LEU 393 CO 0.12 -0.64 0.47 -0.36 0.23 0.00 0.00 176.35 176.17 3ek1 s PHE 394 N 1.64 3.36 0.38 0.29 2.99 0.20 -2.01 117.98 124.82 3ek1 s PHE 394 Ca 0.04 0.68 -0.25 0.00 0.00 0.00 0.00 56.93 57.40 3ek1 s PHE 394 Cb -0.24 -2.61 -0.09 0.00 0.00 0.00 0.00 43.02 40.08 3ek1 s PHE 394 CO 0.07 -0.09 1.10 0.00 -0.00 0.00 0.00 175.22 176.30 3ek1 s ALA 395 N 1.59 3.15 0.07 5.36 0.00 -1.26 -0.85 121.76 129.82 3ek1 s ALA 395 Ca 0.21 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.97 3ek1 s ALA 395 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3ek1 s ALA 395 CO 0.09 -0.34 0.06 -0.59 0.00 0.00 0.00 175.76 174.98 3ek1 s PHE 396 N -1.49 0.40 -0.26 0.00 -0.12 -0.60 -4.85 117.98 111.06 3ek1 s PHE 396 Ca 0.56 -0.89 -0.11 0.00 -0.05 0.00 0.00 56.93 56.44 3ek1 s PHE 396 Cb -0.27 -0.27 -0.12 0.00 -0.63 0.00 0.00 43.02 41.74 3ek1 s PHE 396 CO 0.34 -0.45 -0.31 -0.25 -0.05 0.00 0.00 175.22 174.49 3ek1 n ASP 397 N 0.03 1.85 -4.52 1.98 8.00 -1.26 0.42 116.55 123.06 3ek1 n ASP 397 Ca -0.14 0.25 -0.25 0.00 0.71 0.00 0.00 54.79 55.37 3ek1 n ASP 397 Cb 0.62 -0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 3ek1 n ASP 397 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ek1 s THR 398 N -2.47 2.50 0.17 -3.53 -4.23 -1.26 -4.76 115.64 102.06 3ek1 s THR 398 Ca -0.35 -2.28 -0.10 0.00 -1.18 0.00 0.00 61.69 57.77 3ek1 s THR 398 Cb 0.13 -2.47 0.05 0.00 1.34 0.00 0.00 72.50 71.54 3ek1 s THR 398 CO 0.46 -0.33 1.62 -0.08 -0.54 0.00 0.00 174.62 175.76 3ek1 h GLU 399 N 2.14 1.02 -0.15 3.99 4.81 -1.99 -1.73 114.58 122.67 3ek1 h GLU 399 Ca -0.41 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.42 3ek1 h GLU 399 Cb 1.26 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 3ek1 h GLU 399 CO 0.63 1.02 -0.19 0.93 -0.73 0.00 0.00 179.01 180.67 3ek1 h GLU 400 N 0.90 0.25 -0.02 1.92 3.07 -2.00 -1.76 114.58 116.95 3ek1 h GLU 400 Ca 0.16 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3ek1 h GLU 400 Cb 0.57 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3ek1 h GLU 400 CO 0.03 0.45 -0.15 1.49 -1.40 0.00 0.00 179.01 179.43 3ek1 h GLU 401 N 0.24 0.14 0.00 2.33 4.81 -1.92 -2.77 114.58 117.40 3ek1 h GLU 401 Ca 0.04 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 3ek1 h GLU 401 Cb 0.48 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3ek1 h GLU 401 CO 0.03 0.80 -0.51 -0.24 -0.73 0.00 0.00 179.01 178.35 3ek1 h VAL 402 N -0.48 1.19 -0.17 0.32 3.04 -1.09 -1.65 116.25 117.41 3ek1 h VAL 402 Ca -0.01 -1.88 -0.02 0.00 -1.01 0.00 0.00 66.70 63.78 3ek1 h VAL 402 Cb 0.83 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 32.17 3ek1 h VAL 402 CO 0.03 0.50 0.02 0.40 -1.01 0.00 0.00 177.57 177.51 3ek1 h ILE 403 N 0.00 1.23 -0.39 3.17 2.04 -1.38 0.78 117.51 122.96 3ek1 h ILE 403 Ca -0.01 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.11 3ek1 h ILE 403 Cb 1.02 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.48 3ek1 h ILE 403 CO 0.07 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.65 3ek1 h ALA 404 N 0.80 0.49 -0.50 1.87 0.00 -1.23 -1.16 119.26 119.53 3ek1 h ALA 404 Ca 0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 404 Cb 0.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ek1 h ALA 404 CO 0.01 -0.16 0.06 1.96 0.00 0.00 0.00 179.25 181.12 3ek1 h GLN 405 N 0.41 0.85 -0.70 0.00 4.20 -1.31 -2.70 115.11 115.86 3ek1 h GLN 405 Ca 0.17 -0.24 0.10 0.00 0.06 0.00 0.00 58.65 58.74 3ek1 h GLN 405 Cb 0.07 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.68 3ek1 h GLN 405 CO -0.11 0.85 0.33 0.00 -0.67 0.00 0.00 178.83 179.23 3ek1 h ALA 406 N 0.96 0.96 -0.12 3.87 0.00 -0.47 -2.92 119.26 121.55 3ek1 h ALA 406 Ca 0.15 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 406 Cb 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ek1 h ALA 406 CO 0.01 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.26 3ek1 n ASN 407 N -4.91 1.49 -3.95 0.00 3.02 -0.47 -4.54 115.26 105.90 3ek1 n ASN 407 Ca 0.11 -1.63 -0.43 0.00 -0.03 0.00 0.00 54.58 52.61 3ek1 n ASN 407 Cb 0.30 -0.07 0.01 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.19 5.69 -3.51 6.41 2.03 -1.03 -4.83 116.55 121.50 3ek1 n ASP 408 Ca 0.17 -3.24 -0.15 0.00 0.52 0.00 0.00 54.79 52.09 3ek1 n ASP 408 Cb 0.31 -1.39 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 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 -1.02 0.01 -0.54 5.18 -1.32 -1.26 -4.98 115.64 111.71 3ek1 s THR 409 Ca 0.36 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.98 3ek1 s THR 409 Cb 0.07 -0.99 0.25 0.00 -1.51 0.00 0.00 72.50 70.31 3ek1 s THR 409 CO 0.05 -0.05 1.71 2.30 -2.21 0.00 0.00 174.62 176.42 3ek1 n ILE 410 N 0.31 0.80 -2.75 5.08 -5.35 -1.26 -4.88 119.36 111.31 3ek1 n ILE 410 Ca -0.18 0.17 -0.22 0.00 -0.27 0.00 0.00 62.75 62.25 3ek1 n ILE 410 Cb 0.61 -1.08 0.03 0.00 -1.74 0.00 0.00 39.64 37.46 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 -3.27 2.99 -0.28 4.28 0.08 -1.26 -1.36 117.98 119.15 3ek1 s PHE 411 Ca 0.05 0.08 0.06 0.00 0.12 0.00 0.00 56.93 57.24 3ek1 s PHE 411 Cb 0.10 -2.61 0.21 0.00 -0.57 0.00 0.00 43.02 40.14 3ek1 s PHE 411 CO 0.41 -0.71 1.13 0.41 -0.10 0.00 0.00 175.22 176.36 3ek1 n GLY 412 N -2.26 0.33 0.00 4.36 0.00 -1.24 -4.82 105.19 101.56 3ek1 n GLY 412 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.66 0.92 -4.28 0.99 7.94 -1.26 -0.98 117.00 119.67 3ek1 n LEU 413 Ca -0.14 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.50 3ek1 n LEU 413 Cb 0.72 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.53 3ek1 n LEU 413 CO -0.09 0.00 -0.53 0.00 -1.11 0.00 0.00 177.39 175.66 3ek1 s ALA 414 N -4.33 1.86 0.06 1.96 0.00 -1.26 -1.34 121.76 118.72 3ek1 s ALA 414 Ca 0.00 -1.16 -0.04 0.00 0.00 0.00 0.00 51.96 50.76 3ek1 s ALA 414 Cb 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3ek1 s ALA 414 CO 0.00 0.41 0.05 0.00 0.00 0.00 0.00 175.76 176.22 3ek1 s ALA 415 N -0.92 0.24 -0.01 0.00 0.00 -0.26 -4.20 121.76 116.61 3ek1 s ALA 415 Ca 0.08 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 3ek1 s ALA 415 Cb -0.09 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3ek1 s ALA 415 CO 0.03 -0.42 0.09 0.71 0.00 0.00 0.00 175.76 176.17 3ek1 s TYR 416 N -3.86 0.02 -0.01 0.00 2.02 -0.29 -1.42 117.35 113.80 3ek1 s TYR 416 Ca 0.06 -0.03 -0.19 0.00 -0.37 0.00 0.00 57.07 56.54 3ek1 s TYR 416 Cb 0.07 -0.04 0.04 0.00 -0.40 0.00 0.00 41.96 41.63 3ek1 s TYR 416 CO -0.10 -0.16 0.42 -0.59 -1.57 0.00 0.00 175.55 173.55 3ek1 s PHE 417 N -0.75 -0.31 -0.14 2.71 -0.12 -0.37 -0.79 117.98 118.21 3ek1 s PHE 417 Ca -0.08 0.47 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 3ek1 s PHE 417 Cb -0.05 0.20 0.01 0.00 -0.63 0.00 0.00 43.02 42.55 3ek1 s PHE 417 CO 0.00 -0.48 -0.21 0.71 -0.05 0.00 0.00 175.22 175.20 3ek1 s TYR 418 N -1.51 2.56 -0.08 3.49 2.02 -0.06 -0.55 117.35 123.22 3ek1 s TYR 418 Ca -0.11 -1.28 -0.31 0.00 -0.37 0.00 0.00 57.07 55.00 3ek1 s TYR 418 Cb -0.03 -1.75 0.09 0.00 -0.40 0.00 0.00 41.96 39.86 3ek1 s TYR 418 CO 0.04 -0.59 0.78 -0.08 -1.57 0.00 0.00 175.55 174.13 3ek1 s THR 419 N 0.84 0.00 -2.34 -0.71 -1.32 -1.26 -2.69 115.64 108.16 3ek1 s THR 419 Ca -0.07 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 3ek1 s THR 419 Cb -0.15 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.16 3ek1 s THR 419 CO -0.02 0.00 1.30 -0.62 -2.21 0.00 0.00 174.62 173.07 3ek1 n GLU 420 N 0.82 2.27 -2.83 7.08 -0.58 -0.66 -4.84 120.64 121.90 3ek1 n GLU 420 Ca -0.16 -2.07 -0.42 0.00 -0.42 0.00 0.00 57.16 54.08 3ek1 n GLU 420 Cb 0.57 -1.45 -0.04 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.49 6.87 0.13 1.62 3.84 -1.26 -4.95 114.94 119.69 3ek1 s ASN 421 Ca 0.32 1.05 -0.22 0.00 0.21 0.00 0.00 52.86 54.23 3ek1 s ASN 421 Cb 0.20 -2.46 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 3ek1 s ASN 421 CO 0.28 -0.59 1.69 0.15 -2.79 0.00 0.00 177.10 175.84 3ek1 h PHE 422 N 7.72 -0.26 -0.68 0.43 3.57 -2.00 -1.73 116.94 124.00 3ek1 h PHE 422 Ca -0.22 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.26 3ek1 h PHE 422 Cb 1.08 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3ek1 h PHE 422 CO 0.76 -0.16 0.30 0.77 -2.23 0.00 0.00 178.31 177.76 3ek1 h SER 423 N -0.12 0.92 -0.79 0.41 0.02 -2.00 -2.53 113.55 109.45 3ek1 h SER 423 Ca 0.08 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 3ek1 h SER 423 Cb 0.24 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3ek1 h SER 423 CO -0.20 0.81 0.41 -0.09 -1.14 0.00 0.00 176.83 176.63 3ek1 h ARG 424 N 0.96 1.11 -0.42 3.45 2.43 -1.92 -1.59 114.38 118.40 3ek1 h ARG 424 Ca 0.23 -0.14 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3ek1 h ARG 424 Cb 0.16 -0.21 -0.09 0.00 -0.42 0.00 0.00 29.97 29.41 3ek1 h ARG 424 CO -0.02 0.84 -0.21 0.00 -1.51 0.00 0.00 179.97 179.06 3ek1 h ALA 425 N 1.21 0.08 0.23 2.80 0.00 -0.90 0.93 119.26 123.61 3ek1 h ALA 425 Ca 0.27 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 3ek1 h ALA 425 Cb 0.07 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ek1 h ALA 425 CO -0.04 -0.58 -0.11 0.82 0.00 0.00 0.00 179.25 179.34 3ek1 h ILE 426 N -0.13 0.78 -0.28 0.00 1.08 -1.22 -1.11 117.51 116.64 3ek1 h ILE 426 Ca 0.20 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.63 3ek1 h ILE 426 Cb 0.45 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3ek1 h ILE 426 CO -0.50 0.01 0.13 0.03 -0.69 0.00 0.00 178.15 177.14 3ek1 h ARG 427 N -0.34 0.27 -0.08 2.37 3.08 -0.73 -2.15 114.38 116.80 3ek1 h ARG 427 Ca -0.03 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 3ek1 h ARG 427 Cb 0.26 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.26 3ek1 h ARG 427 CO 0.05 0.18 -0.59 0.28 -1.07 0.00 0.00 179.97 178.82 3ek1 h VAL 428 N 0.28 1.36 -0.61 2.04 2.07 -0.85 -1.12 116.25 119.42 3ek1 h VAL 428 Ca 0.11 -1.92 0.02 0.00 0.82 0.00 0.00 66.70 65.73 3ek1 h VAL 428 Cb 0.04 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3ek1 h VAL 428 CO -0.08 0.58 0.39 0.77 0.02 0.00 0.00 177.57 179.24 3ek1 h SER 429 N 0.15 0.64 0.37 0.57 4.64 -1.16 -1.44 113.55 117.32 3ek1 h SER 429 Ca -0.05 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 3ek1 h SER 429 Cb 1.25 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 3ek1 h SER 429 CO 0.12 0.45 -0.71 -0.33 -0.87 0.00 0.00 176.83 175.50 3ek1 h GLU 430 N 0.77 0.29 0.00 4.77 5.08 -1.37 -3.27 114.58 120.84 3ek1 h GLU 430 Ca 0.24 -0.24 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3ek1 h GLU 430 Cb -0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3ek1 h GLU 430 CO -0.09 0.88 -0.50 0.00 -1.00 0.00 0.00 179.01 178.31 3ek1 h ALA 431 N 1.05 0.76 -2.13 3.43 0.00 -0.74 -3.44 119.26 118.19 3ek1 h ALA 431 Ca -0.02 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 3ek1 h ALA 431 Cb 1.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3ek1 h ALA 431 CO 0.11 0.62 1.17 -0.51 0.00 0.00 0.00 179.25 180.64 3ek1 s LEU 432 N -6.69 4.02 -1.37 0.00 1.43 -0.58 -4.89 118.68 110.59 3ek1 s LEU 432 Ca 0.02 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 3ek1 s LEU 432 Cb 0.09 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.86 3ek1 s LEU 432 CO 0.73 -1.23 2.00 -0.62 0.23 0.00 0.00 176.35 177.46 3ek1 n GLU 433 N 7.63 3.11 -3.93 1.70 1.02 -1.26 -4.87 120.64 124.03 3ek1 n GLU 433 Ca 0.20 -3.02 -0.10 0.00 -0.02 0.00 0.00 57.16 54.22 3ek1 n GLU 433 Cb 0.44 -3.24 -0.11 0.00 -0.02 0.00 0.00 31.44 28.51 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 2.74 0.17 -0.19 -0.32 2.02 -1.26 -4.45 117.35 116.05 3ek1 s TYR 434 Ca 0.47 -0.35 0.24 0.00 -0.37 0.00 0.00 57.07 57.05 3ek1 s TYR 434 Cb 0.10 -0.13 0.58 0.00 -0.40 0.00 0.00 41.96 42.11 3ek1 s TYR 434 CO -0.03 -0.22 1.69 0.78 -1.57 0.00 0.00 175.55 176.20 3ek1 h GLY 435 N 4.59 0.00 -6.10 0.71 0.00 -0.55 -3.45 103.07 98.26 3ek1 h GLY 435 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.77 3ek1 h GLY 435 CO 0.41 0.00 -0.63 1.06 0.00 0.00 0.00 176.54 177.38 3ek1 s MET 436 N -3.32 0.07 -0.11 4.80 -1.94 -0.45 -4.80 119.30 113.55 3ek1 s MET 436 Ca 0.04 0.27 -0.01 0.00 -1.71 0.00 0.00 55.69 54.28 3ek1 s MET 436 Cb 0.07 -0.13 0.03 0.00 2.01 0.00 0.00 34.83 36.81 3ek1 s MET 436 CO 0.65 -0.13 -0.03 0.08 -0.01 0.00 0.00 175.02 175.59 3ek1 s VAL 437 N 0.86 0.69 -0.02 -6.03 1.01 -1.26 -1.10 120.40 114.55 3ek1 s VAL 437 Ca -0.07 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 3ek1 s VAL 437 Cb -0.09 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3ek1 s VAL 437 CO -0.04 0.23 0.73 -0.83 0.00 0.00 0.00 175.10 175.19 3ek1 s GLY 438 N 1.83 2.70 -0.21 4.51 0.00 -0.51 -4.99 107.32 110.65 3ek1 s GLY 438 Ca 0.04 0.20 -0.02 0.00 0.00 0.00 0.00 44.72 44.94 3ek1 s GLY 438 CO -0.07 1.16 -0.10 -1.58 0.00 0.00 0.00 173.10 172.51 3ek1 s HIS 439 N 0.47 2.92 -1.55 1.90 2.46 -1.26 -1.24 115.29 118.99 3ek1 s HIS 439 Ca 0.38 -1.28 -0.01 0.00 0.47 0.00 0.00 55.06 54.63 3ek1 s HIS 439 Cb -0.19 -2.04 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 3ek1 s HIS 439 CO 0.20 -0.67 0.06 0.09 -2.47 0.00 0.00 174.74 171.96 3ek1 n ASN 440 N 4.72 -5.33 -3.61 9.88 3.02 0.28 -4.98 115.26 119.24 3ek1 n ASN 440 Ca -0.19 0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 3ek1 n ASN 440 Cb 0.50 -4.44 -0.07 0.00 -0.61 0.00 0.00 39.78 35.16 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 -2.93 0.00 -2.25 3.41 -1.32 -1.26 -4.98 115.64 106.31 3ek1 s THR 441 Ca 0.04 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.72 3ek1 s THR 441 Cb -0.02 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.34 3ek1 s THR 441 CO 0.04 0.00 1.32 0.61 -2.21 0.00 0.00 174.62 174.38 3ek1 n GLY 442 N 2.25 1.58 3.00 6.08 0.00 -1.26 -4.64 105.19 112.21 3ek1 n GLY 442 Ca -0.15 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 3ek1 n GLY 442 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ek1 s LEU 443 N -1.41 1.97 0.00 0.99 1.43 -1.26 -4.29 118.68 116.11 3ek1 s LEU 443 Ca 0.34 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 3ek1 s LEU 443 Cb 0.20 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.22 3ek1 s LEU 443 CO 0.28 -0.10 0.18 2.30 0.23 0.00 0.00 176.35 179.24 3ek1 n ILE 444 N 4.73 0.00 -2.82 -0.59 -5.35 -1.26 -5.05 119.36 109.02 3ek1 n ILE 444 Ca -0.16 -0.32 -0.41 0.00 -0.27 0.00 0.00 62.75 61.59 3ek1 n ILE 444 Cb 0.48 1.20 -0.04 0.00 -1.74 0.00 0.00 39.64 39.54 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 -0.28 7.25 0.12 7.28 0.01 -1.26 -4.99 113.70 121.83 3ek1 s SER 445 Ca 0.00 1.51 -0.08 0.00 1.31 0.00 0.00 55.95 58.69 3ek1 s SER 445 Cb 0.00 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.74 3ek1 s SER 445 CO 0.00 -0.20 0.42 -0.46 0.41 0.00 0.00 173.24 173.40 3ek1 n ASN 446 N 3.80 -0.88 -0.07 2.44 0.23 -1.26 -5.06 115.26 114.46 3ek1 n ASN 446 Ca 0.03 -1.54 0.11 0.00 -0.53 0.00 0.00 54.58 52.66 3ek1 n ASN 446 Cb 0.51 1.45 -0.01 0.00 -2.08 0.00 0.00 39.78 39.65 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 -0.29 0.17 -0.01 -3.83 0.00 -1.26 -4.49 120.64 110.93 3ek1 n GLU 447 Ca -0.02 -0.14 0.10 0.00 0.00 0.00 0.00 57.16 57.11 3ek1 n GLU 447 Cb 0.26 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.06 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 -1.30 0.00 -4.07 3.84 0.24 -1.26 -0.61 118.33 115.17 3ek1 n VAL 448 Ca 0.05 -0.30 -0.22 0.00 -2.04 0.00 0.00 64.34 61.84 3ek1 n VAL 448 Cb 0.35 0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 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 -3.29 3.67 -0.22 2.33 0.00 -1.26 -3.87 121.76 119.12 3ek1 s ALA 449 Ca -0.02 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3ek1 s ALA 449 Cb 0.15 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.88 3ek1 s ALA 449 CO 0.88 0.24 1.04 -1.25 0.00 0.00 0.00 175.76 176.67 3ek1 s PRO 450 N -3.88 4.27 -0.14 0.00 0.04 -1.26 -3.65 135.00 130.37 3ek1 s PRO 450 Ca 0.33 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.68 3ek1 s PRO 450 Cb -0.08 -3.64 -0.03 0.00 0.04 0.00 0.00 34.50 30.79 3ek1 s PRO 450 CO 0.26 -0.61 0.02 -0.06 0.04 0.00 0.00 177.00 176.64 3ek1 s PHE 451 N 3.14 3.17 0.00 0.56 0.08 0.82 -4.85 117.98 120.89 3ek1 s PHE 451 Ca 0.44 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.50 3ek1 s PHE 451 Cb -0.15 -1.96 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3ek1 s PHE 451 CO 0.07 0.20 0.00 0.41 -0.10 0.00 0.00 175.22 175.80 3ek1 n GLY 452 N 3.09 -0.63 3.55 4.36 0.00 -1.26 -0.02 105.19 114.29 3ek1 n GLY 452 Ca -0.17 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 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 2.07 0.56 -0.02 0.00 -1.26 -4.15 107.32 104.53 3ek1 s GLY 453 Ca 0.00 -1.99 0.07 0.00 0.00 0.00 0.00 44.72 42.79 3ek1 s GLY 453 CO 0.00 -1.97 0.57 3.33 0.00 0.00 0.00 173.10 175.02 3ek1 n VAL 454 N -0.80 0.00 -0.80 1.40 0.24 -0.15 -4.29 118.33 113.93 3ek1 n VAL 454 Ca -0.05 -2.07 0.00 0.00 -2.04 0.00 0.00 64.34 60.18 3ek1 n VAL 454 Cb 0.62 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.77 3ek1 n VAL 454 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3ek1 n LYS 455 N -1.97 0.00 -0.20 7.34 5.02 -1.26 -1.73 118.16 125.36 3ek1 n LYS 455 Ca 0.05 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3ek1 n LYS 455 Cb 0.61 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.77 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 1.88 0.00 1.97 6.02 -0.46 -3.91 117.38 136.88 3ek1 n GLN 456 Ca 0.00 -1.17 0.13 0.00 -0.01 0.00 0.00 57.00 55.95 3ek1 n GLN 456 Cb 0.00 -1.34 0.43 0.00 1.02 0.00 0.00 30.24 30.35 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 0.41 0.55 0.00 1.08 7.64 -0.70 -4.53 113.62 118.06 3ek1 n SER 457 Ca 0.11 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.60 3ek1 n SER 457 Cb 0.33 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 1.40 -0.67 2.91 0.23 0.00 -1.25 -0.46 105.19 107.35 3ek1 n GLY 458 Ca 0.10 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 1.78 0.00 0.99 1.43 -0.42 -4.57 118.68 117.89 3ek1 s LEU 459 Ca 0.00 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 3ek1 s LEU 459 Cb 0.00 -0.24 0.00 0.00 0.03 0.00 0.00 46.19 45.98 3ek1 s LEU 459 CO 0.00 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.20 3ek1 n GLY 460 N 3.30 -1.10 3.23 -3.19 0.00 -1.26 -1.16 105.19 105.02 3ek1 n GLY 460 Ca -0.17 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.03 3ek1 n GLY 460 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 461 N -2.29 0.99 0.21 1.61 1.81 -1.26 -4.47 118.95 115.55 3ek1 s ARG 461 Ca 0.00 -1.11 0.10 0.00 -1.72 0.00 0.00 55.73 53.00 3ek1 s ARG 461 Cb 0.00 -1.07 -0.04 0.00 -0.45 0.00 0.00 34.95 33.39 3ek1 s ARG 461 CO 0.00 0.23 -0.17 -1.21 -0.68 0.00 0.00 175.30 173.48 3ek1 s GLU 462 N -2.05 1.78 0.24 3.54 2.02 0.97 -4.41 118.70 120.79 3ek1 s GLU 462 Ca 0.04 -1.46 0.00 0.00 0.02 0.00 0.00 54.97 53.57 3ek1 s GLU 462 Cb -0.09 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3ek1 s GLU 462 CO 0.03 0.40 0.00 0.41 0.02 0.00 0.00 175.26 176.12 3ek1 n GLY 463 N -0.01 -1.92 0.83 -1.39 0.00 -1.26 -0.13 105.19 101.31 3ek1 n GLY 463 Ca -0.10 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 44.70 3ek1 n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ek1 n SER 464 N -3.20 -3.36 0.00 1.61 3.41 0.22 -1.94 113.62 110.35 3ek1 n SER 464 Ca -0.01 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.23 3ek1 n SER 464 Cb 0.40 -1.66 0.16 0.00 -0.26 0.00 0.00 64.21 62.85 3ek1 n SER 464 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3ek1 n LYS 465 N -2.23 0.02 0.00 4.33 2.85 -1.26 -2.55 118.16 119.32 3ek1 n LYS 465 Ca 0.00 0.34 0.11 0.00 -1.05 0.00 0.00 58.31 57.71 3ek1 n LYS 465 Cb 0.25 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.15 3ek1 n LYS 465 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3ek1 n TYR 466 N -1.45 0.00 -0.11 5.58 4.01 -1.25 -4.58 117.16 119.35 3ek1 n TYR 466 Ca 0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 3ek1 n TYR 466 Cb 0.08 -0.06 -0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 4.97 0.99 2.00 2.72 0.00 -1.10 -3.22 103.07 109.43 3ek1 h GLY 467 Ca 0.00 -0.98 -0.10 0.00 0.00 0.00 0.00 47.33 46.25 3ek1 h GLY 467 CO 0.00 0.89 -0.46 1.19 0.00 0.00 0.00 176.54 178.16 3ek1 h ILE 468 N 0.75 1.07 0.00 2.60 2.10 -1.81 -2.59 117.51 119.64 3ek1 h ILE 468 Ca 0.07 -1.74 -0.01 0.00 1.08 0.00 0.00 64.86 64.27 3ek1 h ILE 468 Cb 0.93 2.01 -0.00 0.00 -1.09 0.00 0.00 36.82 38.67 3ek1 h ILE 468 CO 0.09 0.45 -0.02 1.05 -1.08 0.00 0.00 178.15 178.63 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 4.11 -1.85 -0.74 114.58 118.28 3ek1 h GLU 469 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ek1 h GLU 469 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3ek1 h GLU 469 CO 0.06 0.02 0.00 0.93 0.07 0.00 0.00 179.01 180.09 3ek1 h GLU 470 N 0.00 0.00 -0.16 1.06 4.39 -1.62 -2.52 114.58 115.73 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 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 -3.07 0.51 -4.24 4.33 4.01 -0.29 -4.98 117.16 113.43 3ek1 n TYR 471 Ca -0.02 -0.87 -0.17 0.00 -0.16 0.00 0.00 57.90 56.68 3ek1 n TYR 471 Cb 0.14 -0.22 -0.11 0.00 -0.31 0.00 0.00 39.34 38.85 3ek1 n TYR 471 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ek1 s LEU 472 N -2.59 2.43 0.07 7.72 1.43 -0.95 -1.37 118.68 125.42 3ek1 s LEU 472 Ca 0.34 -0.85 0.08 0.00 -1.03 0.00 0.00 54.13 52.67 3ek1 s LEU 472 Cb 0.28 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 3ek1 s LEU 472 CO 0.07 -0.18 -0.17 -1.61 0.23 0.00 0.00 176.35 174.69 3ek1 s GLU 473 N -2.87 2.00 -0.11 1.70 0.41 0.11 -4.72 118.70 115.22 3ek1 s GLU 473 Ca 0.10 -1.04 -0.16 0.00 -0.41 0.00 0.00 54.97 53.46 3ek1 s GLU 473 Cb -0.04 -2.19 -0.05 0.00 -1.78 0.00 0.00 34.13 30.08 3ek1 s GLU 473 CO 0.03 0.52 0.41 0.99 -0.49 0.00 0.00 175.26 176.71 3ek1 s THR 474 N -1.03 5.19 -0.12 3.63 2.01 -1.26 -2.13 115.64 121.93 3ek1 s THR 474 Ca 0.17 0.80 0.02 0.00 0.31 0.00 0.00 61.69 62.99 3ek1 s THR 474 Cb -0.11 -3.74 0.01 0.00 0.01 0.00 0.00 72.50 68.68 3ek1 s THR 474 CO 0.08 0.40 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.49 3ek1 s LYS 475 N 0.22 2.42 -0.26 4.92 2.20 0.23 -5.01 119.74 124.48 3ek1 s LYS 475 Ca 0.23 -0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 55.02 3ek1 s LYS 475 Cb -0.15 -2.04 -0.03 0.00 -1.51 0.00 0.00 37.83 34.10 3ek1 s LYS 475 CO 0.09 -0.07 0.51 -0.47 -0.36 0.00 0.00 175.35 175.05 3ek1 s TYR 476 N 0.99 3.27 -0.24 4.03 5.04 -1.26 -0.81 117.35 128.37 3ek1 s TYR 476 Ca -0.06 0.63 -0.05 0.00 -2.44 0.00 0.00 57.07 55.15 3ek1 s TYR 476 Cb -0.15 -2.71 -0.01 0.00 0.35 0.00 0.00 41.96 39.44 3ek1 s TYR 476 CO -0.03 -0.27 -0.00 0.42 -1.34 0.00 0.00 175.55 174.33 3ek1 s ILE 477 N 2.28 3.67 -0.31 3.14 1.01 0.67 -5.00 121.20 126.66 3ek1 s ILE 477 Ca 0.21 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 3ek1 s ILE 477 Cb -0.16 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.62 3ek1 s ILE 477 CO 0.09 0.36 0.11 0.00 0.00 0.00 0.00 174.94 175.50 3ek1 s SER 479 N 1.51 3.60 0.32 0.00 0.01 -0.23 -4.98 113.70 113.93 3ek1 s SER 479 Ca 0.02 -0.49 -0.20 0.00 1.31 0.00 0.00 55.95 56.59 3ek1 s SER 479 Cb -0.18 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.41 3ek1 s SER 479 CO 0.03 0.08 0.82 0.00 0.41 0.00 0.00 173.24 174.58 3ek1 s ALA 480 N 0.86 3.26 0.13 1.44 0.00 -1.26 -1.14 121.76 125.05 3ek1 s ALA 480 Ca -0.05 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3ek1 s ALA 480 Cb -0.15 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 3ek1 s ALA 480 CO -0.01 0.25 0.10 1.52 0.00 0.00 0.00 175.76 177.63 3ek1 s TYR 481 N -1.82 0.68 -0.21 0.00 -0.85 -0.66 -4.97 117.35 109.52 3ek1 s TYR 481 Ca 0.52 -1.08 -0.13 0.00 -0.52 0.00 0.00 57.07 55.86 3ek1 s TYR 481 Cb -0.14 -0.35 -0.05 0.00 0.38 0.00 0.00 41.96 41.80 3ek1 s TYR 481 CO 0.19 -0.55 0.25 -1.59 -1.52 0.00 0.00 175.55 172.33 3ek1 s LYS 482 N -4.01 4.14 0.00 -3.49 0.00 -1.26 -4.72 119.74 110.41 3ek1 s LYS 482 Ca 0.19 -0.07 0.28 0.00 0.00 0.00 0.00 55.97 56.38 3ek1 s LYS 482 Cb 0.06 -3.51 1.68 0.00 0.00 0.00 0.00 37.83 36.06 3ek1 s LYS 482 CO -0.01 0.07 2.02 0.54 0.00 0.00 0.00 175.35 177.97