#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 4.43 -1.12 3.17 1.43 -1.26 -4.91 118.68 120.43 3ek1 s LEU 2 Ca 0.00 1.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 3ek1 s LEU 2 Cb 0.00 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.57 3ek1 s LEU 2 CO 0.00 -0.24 2.37 0.00 0.23 0.00 0.00 176.35 178.72 3ek1 n ALA 3 N 3.25 5.57 -2.67 4.21 0.00 -1.26 -4.93 120.51 124.68 3ek1 n ALA 3 Ca 0.05 -2.44 -0.40 0.00 0.00 0.00 0.00 53.44 50.65 3ek1 n ALA 3 Cb 0.48 -3.10 -0.05 0.00 0.00 0.00 0.00 19.45 16.79 3ek1 n ALA 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ek1 s LEU 4 N 0.12 4.34 0.40 0.00 1.43 -1.26 -4.96 118.68 118.75 3ek1 s LEU 4 Ca 0.49 1.28 0.07 0.00 -1.03 0.00 0.00 54.13 54.93 3ek1 s LEU 4 Cb 0.13 -3.16 0.82 0.00 0.03 0.00 0.00 46.19 44.01 3ek1 s LEU 4 CO -0.04 -0.11 2.03 0.11 0.23 0.00 0.00 176.35 178.57 3ek1 h LYS 5 N 6.58 0.60 -3.11 1.70 1.57 -1.96 -3.33 116.57 118.62 3ek1 h LYS 5 Ca -0.42 -0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 57.72 3ek1 h LYS 5 Cb 1.20 -0.14 -0.40 0.00 0.08 0.00 0.00 32.23 32.97 3ek1 h LYS 5 CO 0.75 0.40 -0.74 0.34 -0.57 0.00 0.00 179.45 179.63 3ek1 s ASP 6 N -6.54 3.74 0.00 0.86 -1.08 -1.26 -4.99 116.67 107.40 3ek1 s ASP 6 Ca -0.09 -2.52 0.10 0.00 -0.52 0.00 0.00 52.55 49.53 3ek1 s ASP 6 Cb 0.18 -1.05 0.46 0.00 -1.46 0.00 0.00 42.92 41.05 3ek1 s ASP 6 CO 0.74 -0.29 1.28 -0.81 0.52 0.00 0.00 175.17 176.62 3ek1 n PRO 7 N 3.69 0.05 0.02 4.34 -0.04 -1.25 -1.70 135.00 140.11 3ek1 n PRO 7 Ca 0.07 0.28 0.08 0.00 -0.04 0.00 0.00 63.50 63.89 3ek1 n PRO 7 Cb 0.35 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.68 3ek1 n PRO 7 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3ek1 n SER 8 N -1.42 0.09 0.25 3.54 3.41 -1.26 -2.38 113.62 115.84 3ek1 n SER 8 Ca 0.03 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.32 3ek1 n SER 8 Cb 0.10 -0.54 0.63 0.00 -0.26 0.00 0.00 64.21 64.14 3ek1 n SER 8 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ek1 h LEU 9 N 0.00 0.00 -8.89 1.04 3.38 -1.72 -3.42 115.31 105.69 3ek1 h LEU 9 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 3ek1 h LEU 9 Cb 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.90 3ek1 h LEU 9 CO 0.00 0.00 -0.18 -0.22 0.09 0.00 0.00 178.44 178.13 3ek1 s LEU 10 N -5.90 4.13 0.18 1.67 2.96 -1.00 -3.87 118.68 116.85 3ek1 s LEU 10 Ca 0.02 0.22 0.11 0.00 -0.22 0.00 0.00 54.13 54.26 3ek1 s LEU 10 Cb 0.09 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 3ek1 s LEU 10 CO 0.53 -0.26 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.53 3ek1 s LYS 11 N 2.15 1.45 -0.07 1.98 -0.14 -1.26 -5.02 119.74 118.83 3ek1 s LYS 11 Ca 0.16 -1.48 0.10 0.00 -1.36 0.00 0.00 55.97 53.39 3ek1 s LYS 11 Cb -0.16 -1.72 0.15 0.00 -1.68 0.00 0.00 37.83 34.43 3ek1 s LYS 11 CO 0.10 0.37 1.04 -1.13 -0.76 0.00 0.00 175.35 174.98 3ek1 n SER 12 N 0.32 1.57 -4.33 2.83 3.41 -1.26 -4.84 113.62 111.31 3ek1 n SER 12 Ca -0.13 -2.51 -0.18 0.00 -0.26 0.00 0.00 58.87 55.79 3ek1 n SER 12 Cb 0.56 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.69 1.30 0.19 4.33 -0.21 -1.26 -3.95 119.66 118.37 3ek1 s GLN 13 Ca 0.17 -1.60 -0.12 0.00 0.02 0.00 0.00 55.36 53.83 3ek1 s GLN 13 Cb 0.15 -0.94 -0.07 0.00 1.00 0.00 0.00 33.01 33.15 3ek1 s GLN 13 CO 0.02 0.10 0.56 0.00 -2.12 0.00 0.00 175.29 173.84 3ek1 s LEU 15 N -2.39 4.63 -0.12 0.00 2.96 -0.73 -0.58 118.68 122.44 3ek1 s LEU 15 Ca 0.43 -0.99 -0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3ek1 s LEU 15 Cb -0.13 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3ek1 s LEU 15 CO 0.20 -1.29 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.16 3ek1 s VAL 16 N 3.60 1.15 -1.38 1.68 1.01 0.17 -1.35 120.40 125.28 3ek1 s VAL 16 Ca 0.20 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 3ek1 s VAL 16 Cb -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.05 3ek1 s VAL 16 CO 0.11 0.38 0.41 -3.20 0.00 0.00 0.00 175.10 172.80 3ek1 n ASN 17 N 4.90 -1.00 0.00 3.32 5.15 -1.26 -0.93 115.26 125.44 3ek1 n ASN 17 Ca -0.13 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.77 3ek1 n ASN 17 Cb 0.50 -2.74 0.00 0.00 -0.53 0.00 0.00 39.78 37.01 3ek1 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ek1 n GLY 18 N -2.06 0.43 3.36 8.20 0.00 -1.26 -4.53 105.19 109.33 3ek1 n GLY 18 Ca -0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 3ek1 n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ek1 s ARG 19 N -0.59 1.31 -0.32 1.61 0.52 -0.11 -5.01 118.95 116.37 3ek1 s ARG 19 Ca 0.00 -1.29 -0.16 0.00 -0.52 0.00 0.00 55.73 53.76 3ek1 s ARG 19 Cb 0.00 -1.73 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 3ek1 s ARG 19 CO 0.00 0.41 0.41 -1.58 0.02 0.00 0.00 175.30 174.55 3ek1 s TRP 20 N -1.12 3.22 0.13 -0.53 0.52 -1.26 -0.66 118.94 119.25 3ek1 s TRP 20 Ca 0.12 0.20 0.06 0.00 0.02 0.00 0.00 56.10 56.50 3ek1 s TRP 20 Cb -0.10 -2.70 -0.04 0.00 -1.15 0.00 0.00 33.47 29.49 3ek1 s TRP 20 CO 0.06 -0.38 -0.15 0.96 0.02 0.00 0.00 176.95 177.46 3ek1 s ILE 21 N 2.13 1.43 0.48 2.03 -4.36 0.26 -4.88 121.20 118.29 3ek1 s ILE 21 Ca 0.15 -1.77 0.08 0.00 -0.26 0.00 0.00 60.65 58.85 3ek1 s ILE 21 Cb -0.16 -1.61 0.04 0.00 1.25 0.00 0.00 42.46 41.98 3ek1 s ILE 21 CO 0.11 -0.41 0.65 -1.81 0.24 0.00 0.00 174.94 173.73 3ek1 s ASP 22 N -2.52 5.45 0.52 4.36 1.01 -1.26 -0.81 116.67 123.42 3ek1 s ASP 22 Ca 0.11 -0.56 -0.21 0.00 0.71 0.00 0.00 52.55 52.60 3ek1 s ASP 22 Cb -0.05 -0.33 -0.06 0.00 1.01 0.00 0.00 42.92 43.49 3ek1 s ASP 22 CO 0.04 -0.98 1.18 0.00 0.21 0.00 0.00 175.17 175.62 3ek1 s ALA 23 N -2.48 2.77 0.24 5.23 0.00 -1.26 -4.91 121.76 121.35 3ek1 s ALA 23 Ca 0.58 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 53.44 3ek1 s ALA 23 Cb -0.08 -3.41 0.39 0.00 0.00 0.00 0.00 23.12 20.01 3ek1 s ALA 23 CO 0.35 -0.88 1.77 0.00 0.00 0.00 0.00 175.76 177.00 3ek1 h ALA 24 N 1.46 1.04 -0.34 0.00 0.00 -1.95 -1.32 119.26 118.16 3ek1 h ALA 24 Ca -0.50 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3ek1 h ALA 24 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ek1 h ALA 24 CO 0.58 -0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.35 3ek1 n ASP 25 N -4.89 2.72 0.00 0.00 5.68 -1.26 -4.93 116.55 113.88 3ek1 n ASP 25 Ca 0.13 -2.24 0.00 0.00 -0.50 0.00 0.00 54.79 52.18 3ek1 n ASP 25 Cb 0.32 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 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 0.71 0.00 3.86 6.12 0.00 -0.50 -4.97 105.19 110.40 3ek1 n GLY 26 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.92 4.58 0.10 2.61 -4.23 -1.26 -4.87 115.64 111.64 3ek1 s THR 27 Ca 0.00 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 3ek1 s THR 27 Cb 0.00 -3.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.05 3ek1 s THR 27 CO 0.00 -1.05 0.15 0.42 -0.54 0.00 0.00 174.62 173.60 3ek1 s THR 28 N -3.09 0.14 -0.10 3.99 -4.23 -1.26 -1.41 115.64 109.67 3ek1 s THR 28 Ca 0.56 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 3ek1 s THR 28 Cb -0.11 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 3ek1 s THR 28 CO 0.52 -0.63 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.21 3ek1 s ILE 29 N -3.91 3.14 -0.06 2.99 1.01 0.10 -4.74 121.20 119.72 3ek1 s ILE 29 Ca 0.10 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 3ek1 s ILE 29 Cb 0.05 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3ek1 s ILE 29 CO -0.07 0.55 0.91 -0.54 0.00 0.00 0.00 174.94 175.79 3ek1 s LYS 30 N -0.04 4.46 -0.28 2.79 1.02 -1.26 -0.81 119.74 125.62 3ek1 s LYS 30 Ca -0.03 1.25 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 3ek1 s LYS 30 Cb -0.14 -3.50 -0.05 0.00 -0.52 0.00 0.00 37.83 33.63 3ek1 s LYS 30 CO 0.04 -0.14 0.19 0.08 -0.92 0.00 0.00 175.35 174.60 3ek1 s VAL 31 N 1.40 5.31 0.21 3.17 1.01 0.23 -4.98 120.40 126.75 3ek1 s VAL 31 Ca 0.46 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.70 3ek1 s VAL 31 Cb -0.19 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 3ek1 s VAL 31 CO 0.21 0.25 0.02 0.42 0.00 0.00 0.00 175.10 176.01 3ek1 s THR 32 N 1.72 3.74 -0.27 3.92 -4.23 -1.26 0.85 115.64 120.11 3ek1 s THR 32 Ca 0.07 -1.56 -0.19 0.00 -1.18 0.00 0.00 61.69 58.84 3ek1 s THR 32 Cb -0.16 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 3ek1 s THR 32 CO 0.11 -0.22 0.57 0.21 -0.54 0.00 0.00 174.62 174.75 3ek1 s ASN 33 N -3.26 6.49 0.28 3.99 3.84 0.43 -4.59 114.94 122.11 3ek1 s ASN 33 Ca 0.29 0.56 0.22 0.00 0.21 0.00 0.00 52.86 54.14 3ek1 s ASN 33 Cb -0.08 -2.30 1.04 0.00 -0.55 0.00 0.00 41.25 39.35 3ek1 s ASN 33 CO 0.20 -0.34 1.67 -0.81 -2.79 0.00 0.00 177.10 175.03 3ek1 n PRO 34 N 5.64 0.16 0.21 0.43 -0.04 -1.26 0.44 135.00 140.59 3ek1 n PRO 34 Ca -0.03 0.52 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 3ek1 n PRO 34 Cb 0.49 -1.90 0.29 0.00 -0.04 0.00 0.00 33.50 32.34 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 2.15 0.92 0.00 0.55 0.00 -1.92 -3.40 119.26 117.56 3ek1 h ALA 35 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ek1 h ALA 35 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ek1 h ALA 35 CO 0.00 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 3ek1 n ASP 36 N -3.21 0.00 -0.03 0.00 5.68 -1.13 -4.92 116.55 112.93 3ek1 n ASP 36 Ca 0.02 -1.00 -0.00 0.00 -0.50 0.00 0.00 54.79 53.31 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 0.39 3.81 6.12 0.00 0.17 -5.01 105.19 110.67 3ek1 n GLY 37 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.06 6.13 -0.12 1.61 1.04 -1.25 -4.69 113.70 114.37 3ek1 s SER 38 Ca 0.00 1.80 -0.22 0.00 0.48 0.00 0.00 55.95 58.01 3ek1 s SER 38 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3ek1 s SER 38 CO 0.00 -0.93 0.66 -0.69 0.98 0.00 0.00 173.24 173.27 3ek1 s VAL 39 N -2.34 5.04 -0.07 5.02 1.01 -1.26 -0.43 120.40 127.36 3ek1 s VAL 39 Ca 0.64 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.98 3ek1 s VAL 39 Cb -0.15 -3.99 -0.25 0.00 0.00 0.00 0.00 36.38 32.00 3ek1 s VAL 39 CO 0.30 0.20 0.54 -0.38 0.00 0.00 0.00 175.10 175.77 3ek1 n ILE 40 N 4.10 1.69 0.00 2.22 5.41 0.25 -4.94 119.36 128.10 3ek1 n ILE 40 Ca -0.02 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.00 3ek1 n ILE 40 Cb 0.51 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.08 3ek1 n ILE 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ek1 n GLY 41 N 1.75 -0.21 3.67 7.39 0.00 -1.16 -5.00 105.19 111.63 3ek1 n GLY 41 Ca -0.23 -1.06 -0.23 0.00 0.00 0.00 0.00 46.02 44.50 3ek1 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ek1 s THR 42 N -2.00 3.20 0.19 2.61 -4.23 -1.26 -0.60 115.64 113.55 3ek1 s THR 42 Ca 0.00 -1.85 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3ek1 s THR 42 Cb 0.00 -2.88 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 3ek1 s THR 42 CO 0.00 -0.29 -0.06 0.68 -0.54 0.00 0.00 174.62 174.41 3ek1 s VAL 43 N -2.38 1.12 0.61 2.29 -7.23 0.01 -4.25 120.40 110.57 3ek1 s VAL 43 Ca 0.34 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 58.28 3ek1 s VAL 43 Cb -0.04 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 3ek1 s VAL 43 CO 0.21 -0.55 1.17 -2.84 -0.31 0.00 0.00 175.10 172.78 3ek1 s PRO 44 N -3.80 2.95 -0.88 4.82 0.02 -1.25 0.03 135.00 136.88 3ek1 s PRO 44 Ca 0.22 1.69 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 3ek1 s PRO 44 Cb 0.04 -1.94 0.23 0.00 0.02 0.00 0.00 34.50 32.85 3ek1 s PRO 44 CO 0.04 -1.19 0.82 0.45 -0.33 0.00 0.00 177.00 176.79 3ek1 s SER 45 N -1.84 6.66 0.45 2.53 0.15 -0.50 -3.78 113.70 117.37 3ek1 s SER 45 Ca 0.74 -3.04 -0.23 0.00 0.70 0.00 0.00 55.95 54.12 3ek1 s SER 45 Cb -0.27 -2.14 -0.07 0.00 -1.71 0.00 0.00 66.02 61.83 3ek1 s SER 45 CO 0.34 -0.44 1.19 -0.76 1.20 0.00 0.00 173.24 174.77 3ek1 s LEU 46 N -0.37 4.04 0.58 3.45 1.43 -0.02 -4.71 118.68 123.08 3ek1 s LEU 46 Ca 0.22 2.37 -0.05 0.00 -1.03 0.00 0.00 54.13 55.64 3ek1 s LEU 46 Cb -0.11 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 41.94 3ek1 s LEU 46 CO -0.08 -0.92 0.88 -0.94 0.23 0.00 0.00 176.35 175.52 3ek1 s SER 47 N -1.25 5.55 0.32 2.29 1.04 -1.26 -4.60 113.70 115.79 3ek1 s SER 47 Ca 0.63 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.71 3ek1 s SER 47 Cb -0.30 -1.63 0.59 0.00 0.10 0.00 0.00 66.02 64.78 3ek1 s SER 47 CO 0.37 -1.07 1.93 0.58 0.98 0.00 0.00 173.24 176.03 3ek1 h VAL 48 N -0.15 1.06 -0.44 5.02 2.07 -1.96 -1.54 116.25 120.30 3ek1 h VAL 48 Ca -0.45 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 3ek1 h VAL 48 Cb 1.26 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3ek1 h VAL 48 CO 0.60 0.17 0.18 0.00 0.02 0.00 0.00 177.57 178.54 3ek1 h ALA 49 N 1.54 1.49 -0.04 1.67 0.00 -1.99 0.63 119.26 122.55 3ek1 h ALA 49 Ca 0.36 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 3ek1 h ALA 49 Cb 0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ek1 h ALA 49 CO -0.13 0.40 -0.77 1.15 0.00 0.00 0.00 179.25 179.90 3ek1 h THR 50 N 0.63 1.43 -0.67 0.00 2.02 -1.69 -2.41 112.91 112.21 3ek1 h THR 50 Ca 0.15 -2.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 3ek1 h THR 50 Cb 0.12 2.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.74 3ek1 h THR 50 CO -0.02 0.68 0.27 0.40 0.37 0.00 0.00 175.52 177.22 3ek1 h ILE 51 N 0.18 1.24 -0.94 3.11 1.08 -0.44 -1.27 117.51 120.47 3ek1 h ILE 51 Ca -0.03 -0.76 0.05 0.00 -0.39 0.00 0.00 64.86 63.72 3ek1 h ILE 51 Cb 1.35 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 3ek1 h ILE 51 CO 0.12 0.30 0.61 0.11 -0.69 0.00 0.00 178.15 178.61 3ek1 h LYS 52 N 0.96 1.11 -0.25 2.37 1.57 -0.75 -0.10 116.57 121.49 3ek1 h LYS 52 Ca 0.22 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3ek1 h LYS 52 Cb 0.21 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 3ek1 h LYS 52 CO -0.02 0.74 0.08 0.93 -0.57 0.00 0.00 179.45 180.61 3ek1 h GLU 53 N 1.15 0.38 -0.74 3.15 5.08 -0.96 -1.60 114.58 121.04 3ek1 h GLU 53 Ca 0.38 -0.08 0.07 0.00 -1.00 0.00 0.00 59.36 58.73 3ek1 h GLU 53 Cb 0.07 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 3ek1 h GLU 53 CO -0.13 0.46 0.42 0.00 -1.00 0.00 0.00 179.01 178.76 3ek1 h ALA 54 N 0.91 1.02 -0.23 3.43 0.00 -0.75 0.21 119.26 123.84 3ek1 h ALA 54 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ek1 h ALA 54 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3ek1 h ALA 54 CO -0.00 0.09 0.15 0.82 0.00 0.00 0.00 179.25 180.31 3ek1 h ILE 55 N 0.75 1.07 -0.70 0.00 2.04 -0.80 0.59 117.51 120.46 3ek1 h ILE 55 Ca 0.34 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3ek1 h ILE 55 Cb 0.24 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3ek1 h ILE 55 CO -0.20 0.07 0.27 0.44 0.00 0.00 0.00 178.15 178.72 3ek1 h ASP 56 N 0.30 0.96 -0.80 1.72 3.32 -0.96 -1.53 116.42 119.43 3ek1 h ASP 56 Ca 0.08 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3ek1 h ASP 56 Cb -0.01 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.25 3ek1 h ASP 56 CO -0.02 0.86 0.41 0.00 -1.72 0.00 0.00 179.24 178.78 3ek1 h ALA 57 N 1.27 1.20 -0.08 3.45 0.00 -0.14 -1.62 119.26 123.34 3ek1 h ALA 57 Ca 0.23 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ek1 h ALA 57 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ek1 h ALA 57 CO -0.02 0.62 0.02 1.03 0.00 0.00 0.00 179.25 180.90 3ek1 h SER 58 N 1.14 0.01 -0.91 0.00 0.87 -0.12 -2.11 113.55 112.43 3ek1 h SER 58 Ca 0.28 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.97 3ek1 h SER 58 Cb 0.08 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 61.97 3ek1 h SER 58 CO -0.04 0.02 0.54 0.00 -0.53 0.00 0.00 176.83 176.82 3ek1 h ALA 59 N 1.06 1.35 -0.44 6.23 0.00 -1.04 -1.69 119.26 124.73 3ek1 h ALA 59 Ca 0.04 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3ek1 h ALA 59 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ek1 h ALA 59 CO -0.05 0.12 -0.15 -0.22 0.00 0.00 0.00 179.25 178.95 3ek1 h LYS 60 N 0.85 0.82 0.00 0.00 1.63 -0.93 -2.95 116.57 115.99 3ek1 h LYS 60 Ca 0.46 -0.30 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 3ek1 h LYS 60 Cb 0.48 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.05 3ek1 h LYS 60 CO -0.28 0.92 -0.31 0.00 -3.45 0.00 0.00 179.45 176.33 3ek1 h ALA 61 N 1.10 1.05 0.46 5.00 0.00 -1.00 -3.37 119.26 122.50 3ek1 h ALA 61 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ek1 h ALA 61 Cb 0.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3ek1 h ALA 61 CO 0.05 0.38 -0.33 1.25 0.00 0.00 0.00 179.25 180.60 3ek1 h LEU 62 N 0.00 -0.84 -0.57 0.00 5.85 -1.13 -2.68 115.31 115.94 3ek1 h LEU 62 Ca -0.00 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3ek1 h LEU 62 Cb 0.78 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.98 3ek1 h LEU 62 CO 0.04 -0.50 -0.04 -1.28 -0.34 0.00 0.00 178.44 176.32 3ek1 h SER 63 N -0.77 -0.34 0.32 1.25 0.87 -1.73 0.49 113.55 113.64 3ek1 h SER 63 Ca -0.05 0.15 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 3ek1 h SER 63 Cb 0.65 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3ek1 h SER 63 CO 0.02 -0.13 -0.58 1.23 -0.53 0.00 0.00 176.83 176.84 3ek1 h GLY 64 N 0.08 0.30 0.60 5.77 0.00 -1.79 -1.12 103.07 106.91 3ek1 h GLY 64 Ca 0.29 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3ek1 h GLY 64 CO -0.51 0.32 -0.21 -0.25 0.00 0.00 0.00 176.54 175.89 3ek1 h TRP 65 N 0.20 0.33 -0.67 5.60 2.91 -0.89 -2.88 115.95 120.55 3ek1 h TRP 65 Ca -0.00 -0.14 0.03 0.00 1.13 0.00 0.00 58.89 59.91 3ek1 h TRP 65 Cb 1.08 -0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 3ek1 h TRP 65 CO 0.02 0.83 0.44 0.00 -1.03 0.00 0.00 178.44 178.71 3ek1 h ALA 66 N 0.43 1.62 0.00 2.65 0.00 -0.05 -2.62 119.26 121.29 3ek1 h ALA 66 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 66 Cb 0.85 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3ek1 h ALA 66 CO 0.04 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3ek1 n ALA 67 N -2.44 1.91 -1.36 0.00 0.00 -0.43 -4.79 120.51 113.39 3ek1 n ALA 67 Ca 0.08 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 3ek1 n ALA 67 Cb 0.13 -1.41 0.09 0.00 0.00 0.00 0.00 19.45 18.25 3ek1 n ALA 67 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3ek1 s LYS 68 N -3.21 2.21 0.64 0.00 1.02 -0.99 -4.99 119.74 114.41 3ek1 s LYS 68 Ca 0.07 1.68 -0.17 0.00 0.02 0.00 0.00 55.97 57.58 3ek1 s LYS 68 Cb 0.11 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.56 3ek1 s LYS 68 CO 0.47 -1.76 1.16 0.95 -0.92 0.00 0.00 175.35 175.24 3ek1 s THR 69 N -2.08 2.88 0.27 2.17 -4.23 -1.26 -4.91 115.64 108.48 3ek1 s THR 69 Ca 0.73 0.47 -0.01 0.00 -1.18 0.00 0.00 61.69 61.69 3ek1 s THR 69 Cb -0.27 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 70.78 3ek1 s THR 69 CO 0.45 -0.20 1.66 0.00 -0.54 0.00 0.00 174.62 176.00 3ek1 h ALA 70 N 0.36 1.11 -0.76 3.99 0.00 -1.93 -1.90 119.26 120.13 3ek1 h ALA 70 Ca -0.48 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ek1 h ALA 70 Cb 1.27 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 3ek1 h ALA 70 CO 0.54 -0.40 0.46 -0.22 0.00 0.00 0.00 179.25 179.63 3ek1 h LYS 71 N 0.24 1.03 -0.11 0.00 3.64 -1.91 0.42 116.57 119.88 3ek1 h LYS 71 Ca 0.49 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.79 3ek1 h LYS 71 Cb 0.91 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3ek1 h LYS 71 CO -0.59 0.72 0.01 0.93 -2.27 0.00 0.00 179.45 178.25 3ek1 h GLU 72 N 1.04 0.05 -0.67 1.90 5.08 -1.73 -0.56 114.58 119.68 3ek1 h GLU 72 Ca 0.27 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.56 3ek1 h GLU 72 Cb -0.04 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3ek1 h GLU 72 CO -0.05 0.03 0.16 0.00 -1.00 0.00 0.00 179.01 178.15 3ek1 h ARG 73 N 0.05 1.06 -0.56 2.33 3.08 -0.89 -2.04 114.38 117.42 3ek1 h ARG 73 Ca 0.05 -0.25 -0.07 0.00 0.07 0.00 0.00 59.98 59.78 3ek1 h ARG 73 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3ek1 h ARG 73 CO -0.07 0.94 0.07 0.00 -1.07 0.00 0.00 179.97 179.84 3ek1 h ALA 74 N 1.16 1.08 -0.34 0.04 0.00 -0.59 0.67 119.26 121.28 3ek1 h ALA 74 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3ek1 h ALA 74 Cb 0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3ek1 h ALA 74 CO 0.00 0.59 0.14 0.78 0.00 0.00 0.00 179.25 180.76 3ek1 h GLY 75 N 1.00 0.55 0.84 0.00 0.00 -0.81 0.52 103.07 105.16 3ek1 h GLY 75 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 3ek1 h GLY 75 CO 0.01 0.28 0.04 -2.22 0.00 0.00 0.00 176.54 174.65 3ek1 h ILE 76 N 0.40 1.19 -0.73 2.60 2.04 -0.87 -1.66 117.51 120.48 3ek1 h ILE 76 Ca 0.11 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.42 3ek1 h ILE 76 Cb 0.18 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3ek1 h ILE 76 CO -0.01 0.18 0.45 -0.07 0.00 0.00 0.00 178.15 178.70 3ek1 h LEU 77 N 0.03 0.71 -0.91 1.44 3.38 -0.74 -1.55 115.31 117.68 3ek1 h LEU 77 Ca 0.04 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3ek1 h LEU 77 Cb 0.24 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ek1 h LEU 77 CO -0.00 0.47 0.30 -0.09 0.09 0.00 0.00 178.44 179.21 3ek1 h ARG 78 N 0.84 1.09 -0.74 1.13 2.43 -0.71 -0.23 114.38 118.19 3ek1 h ARG 78 Ca 0.31 -0.19 0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3ek1 h ARG 78 Cb 0.10 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 3ek1 h ARG 78 CO -0.14 0.88 0.49 0.87 -1.51 0.00 0.00 179.97 180.56 3ek1 h LYS 79 N 1.07 0.72 -0.18 0.20 1.57 -0.38 -0.26 116.57 119.31 3ek1 h LYS 79 Ca 0.25 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.94 3ek1 h LYS 79 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3ek1 h LYS 79 CO -0.02 0.48 -0.07 2.35 -0.57 0.00 0.00 179.45 181.61 3ek1 h TRP 80 N 0.74 0.42 -0.04 -1.35 7.01 -0.30 -0.80 115.95 121.64 3ek1 h TRP 80 Ca 0.33 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 61.25 3ek1 h TRP 80 Cb 0.32 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 3ek1 h TRP 80 CO -0.00 0.66 -0.54 0.35 -2.79 0.00 0.00 178.44 176.12 3ek1 h PHE 81 N 0.07 -1.60 -0.95 2.65 3.57 -0.92 -1.81 116.94 117.95 3ek1 h PHE 81 Ca 0.04 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.73 3ek1 h PHE 81 Cb 0.54 0.70 -0.08 0.00 2.79 0.00 0.00 35.95 39.90 3ek1 h PHE 81 CO 0.06 -0.57 0.60 -0.44 -2.23 0.00 0.00 178.31 175.73 3ek1 h ASP 82 N -0.65 0.78 -0.21 0.41 3.32 -0.93 -1.62 116.42 117.53 3ek1 h ASP 82 Ca 0.02 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3ek1 h ASP 82 Cb 0.71 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3ek1 h ASP 82 CO -0.38 0.40 -0.12 -0.07 -1.72 0.00 0.00 179.24 177.35 3ek1 h LEU 83 N 0.83 0.58 -0.24 1.55 3.38 -0.80 -1.08 115.31 119.52 3ek1 h LEU 83 Ca 0.48 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.19 3ek1 h LEU 83 Cb 0.63 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ek1 h LEU 83 CO -0.24 0.73 -0.24 0.40 0.09 0.00 0.00 178.44 179.17 3ek1 h ILE 84 N 0.54 1.32 -0.55 1.22 2.04 -0.47 -1.71 117.51 119.90 3ek1 h ILE 84 Ca 0.10 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.50 3ek1 h ILE 84 Cb 0.53 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 3ek1 h ILE 84 CO 0.03 0.44 0.13 0.40 0.00 0.00 0.00 178.15 179.16 3ek1 h ILE 85 N 0.30 1.25 0.00 -0.67 1.08 -1.25 -1.63 117.51 116.60 3ek1 h ILE 85 Ca 0.04 -0.88 -0.01 0.00 -0.39 0.00 0.00 64.86 63.62 3ek1 h ILE 85 Cb 0.80 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3ek1 h ILE 85 CO 0.06 0.32 -0.05 0.00 -0.69 0.00 0.00 178.15 177.79 3ek1 h ALA 86 N 1.02 1.16 -0.24 1.87 0.00 -0.91 -2.82 119.26 119.33 3ek1 h ALA 86 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 86 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 86 CO 0.00 0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3ek1 n ASN 87 N -3.38 3.34 -0.25 0.00 3.02 -0.67 -4.80 115.26 112.53 3ek1 n ASN 87 Ca -0.02 -2.67 -0.06 0.00 -0.03 0.00 0.00 54.58 51.81 3ek1 n ASN 87 Cb 0.20 -0.41 0.05 0.00 -0.61 0.00 0.00 39.78 39.01 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 1.57 0.89 -0.06 5.41 0.00 -1.05 -2.12 119.26 123.90 3ek1 h ALA 88 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3ek1 h ALA 88 Cb 1.14 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ek1 h ALA 88 CO 0.12 0.42 0.04 -0.44 0.00 0.00 0.00 179.25 179.39 3ek1 h ASP 89 N 0.96 0.07 -0.37 0.00 3.32 -1.87 0.24 116.42 118.77 3ek1 h ASP 89 Ca 0.24 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3ek1 h ASP 89 Cb 0.06 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3ek1 h ASP 89 CO -0.04 0.05 0.22 0.44 -1.72 0.00 0.00 179.24 178.20 3ek1 h ASP 90 N 0.08 0.37 -0.49 6.45 3.32 -1.87 -1.68 116.42 122.60 3ek1 h ASP 90 Ca 0.02 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3ek1 h ASP 90 Cb -0.01 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3ek1 h ASP 90 CO -0.00 0.27 0.10 0.40 -1.72 0.00 0.00 179.24 178.29 3ek1 h ILE 91 N 0.46 1.23 -0.98 0.35 2.04 -1.01 -2.02 117.51 117.58 3ek1 h ILE 91 Ca 0.15 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.14 3ek1 h ILE 91 Cb -0.01 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 36.73 3ek1 h ILE 91 CO -0.06 0.32 0.64 0.00 0.00 0.00 0.00 178.15 179.05 3ek1 h ALA 92 N 1.30 1.25 -0.27 1.87 0.00 -0.27 -1.21 119.26 121.94 3ek1 h ALA 92 Ca 0.17 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 92 Cb 0.34 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3ek1 h ALA 92 CO 0.00 0.65 -0.26 1.25 0.00 0.00 0.00 179.25 180.89 3ek1 h LEU 93 N 1.34 0.69 -0.35 0.00 5.85 -0.89 0.26 115.31 122.21 3ek1 h LEU 93 Ca 0.36 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3ek1 h LEU 93 Cb -0.14 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 3ek1 h LEU 93 CO -0.08 1.02 0.03 0.40 -0.34 0.00 0.00 178.44 179.48 3ek1 h ILE 94 N 0.38 0.77 -0.07 4.05 2.04 -1.28 0.46 117.51 123.85 3ek1 h ILE 94 Ca 0.04 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3ek1 h ILE 94 Cb 0.83 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3ek1 h ILE 94 CO 0.07 0.03 0.01 -0.03 0.00 0.00 0.00 178.15 178.22 3ek1 h MET 95 N 0.14 0.11 -0.92 2.37 4.05 -0.81 -1.27 114.93 118.59 3ek1 h MET 95 Ca 0.17 -0.03 0.11 0.00 -0.28 0.00 0.00 59.70 59.67 3ek1 h MET 95 Cb 0.22 -0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 30.93 3ek1 h MET 95 CO -0.26 0.34 0.55 1.15 0.23 0.00 0.00 176.91 178.92 3ek1 h THR 96 N -0.13 0.90 -0.15 -0.77 2.02 -0.42 0.12 112.91 114.48 3ek1 h THR 96 Ca 0.02 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3ek1 h THR 96 Cb 0.28 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3ek1 h THR 96 CO 0.00 0.16 -0.01 0.28 0.37 0.00 0.00 175.52 176.32 3ek1 h SER 97 N 0.89 0.27 1.25 4.18 0.02 -0.35 -1.52 113.55 118.28 3ek1 h SER 97 Ca 0.46 -0.32 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3ek1 h SER 97 Cb 0.46 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3ek1 h SER 97 CO -0.27 0.53 -0.76 1.05 -1.14 0.00 0.00 176.83 176.25 3ek1 h GLU 98 N 0.01 0.00 0.00 3.45 4.11 -0.93 -3.36 114.58 117.85 3ek1 h GLU 98 Ca 0.04 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 3ek1 h GLU 98 Cb 0.40 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3ek1 h GLU 98 CO 0.01 0.69 -1.34 0.00 0.07 0.00 0.00 179.01 178.44 3ek1 n GLN 99 N -3.26 1.31 0.00 1.06 -0.00 0.41 -4.45 117.38 112.45 3ek1 n GLN 99 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 57.00 56.97 3ek1 n GLN 99 Cb 0.83 -1.15 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 2.33 1.46 3.74 2.61 0.00 -0.58 -4.68 105.19 110.08 3ek1 n GLY 100 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.04 2.50 0.57 1.61 -2.85 -1.26 -4.20 119.74 116.07 3ek1 s LYS 101 Ca 0.00 1.78 -0.20 0.00 -1.00 0.00 0.00 55.97 56.55 3ek1 s LYS 101 Cb 0.00 -1.87 -0.04 0.00 -2.06 0.00 0.00 37.83 33.86 3ek1 s LYS 101 CO 0.00 -1.57 1.26 -2.14 0.10 0.00 0.00 175.35 173.00 3ek1 s PRO 102 N -3.70 3.05 0.28 1.78 0.02 -1.26 -4.41 135.00 130.76 3ek1 s PRO 102 Ca 0.75 1.97 -0.00 0.00 0.02 0.00 0.00 61.00 63.74 3ek1 s PRO 102 Cb -0.30 -2.06 0.65 0.00 0.02 0.00 0.00 34.50 32.81 3ek1 s PRO 102 CO 0.41 -1.18 1.63 -0.07 -0.33 0.00 0.00 177.00 177.46 3ek1 h LEU 103 N 1.13 -0.16 -1.12 -5.54 3.38 -1.41 0.12 115.31 111.72 3ek1 h LEU 103 Ca -0.51 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3ek1 h LEU 103 Cb 1.30 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 3ek1 h LEU 103 CO 0.56 -0.19 0.16 0.00 0.09 0.00 0.00 178.44 179.06 3ek1 h ALA 104 N 1.79 1.29 -0.28 1.53 0.00 -1.90 -1.04 119.26 120.65 3ek1 h ALA 104 Ca 0.52 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 55.08 3ek1 h ALA 104 Cb 1.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ek1 h ALA 104 CO -0.70 0.51 -0.53 0.93 0.00 0.00 0.00 179.25 179.46 3ek1 h GLU 105 N 0.77 0.82 -0.43 0.00 5.08 -1.20 -2.07 114.58 117.55 3ek1 h GLU 105 Ca 0.18 -0.51 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3ek1 h GLU 105 Cb 0.23 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 3ek1 h GLU 105 CO -0.01 1.14 0.27 0.00 -1.00 0.00 0.00 179.01 179.40 3ek1 h ALA 106 N 0.76 0.55 -0.48 3.43 0.00 -0.64 0.11 119.26 122.99 3ek1 h ALA 106 Ca 0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3ek1 h ALA 106 Cb 1.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ek1 h ALA 106 CO 0.11 0.03 -0.07 -0.09 0.00 0.00 0.00 179.25 179.23 3ek1 h ARG 107 N 0.57 0.90 -0.73 0.00 2.43 -1.21 0.17 114.38 116.51 3ek1 h ARG 107 Ca 0.16 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3ek1 h ARG 107 Cb -0.02 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 3ek1 h ARG 107 CO -0.03 0.97 0.43 0.78 -1.51 0.00 0.00 179.97 180.61 3ek1 h GLY 108 N 0.75 1.09 1.50 2.80 0.00 -1.21 -2.08 103.07 105.92 3ek1 h GLY 108 Ca 0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 3ek1 h GLY 108 CO 0.04 0.20 -0.26 -2.09 0.00 0.00 0.00 176.54 174.43 3ek1 h GLU 109 N 0.80 0.57 -0.22 4.80 4.81 -0.37 -1.53 114.58 123.44 3ek1 h GLU 109 Ca 0.32 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3ek1 h GLU 109 Cb 0.16 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3ek1 h GLU 109 CO -0.17 0.78 0.11 0.28 -0.73 0.00 0.00 179.01 179.29 3ek1 h VAL 110 N 0.50 1.00 -0.31 0.32 2.07 -0.53 0.41 116.25 119.72 3ek1 h VAL 110 Ca 0.07 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3ek1 h VAL 110 Cb 0.72 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3ek1 h VAL 110 CO 0.06 0.04 -0.22 -0.07 0.02 0.00 0.00 177.57 177.40 3ek1 h LEU 111 N 0.24 0.59 -0.09 2.57 4.07 -1.22 0.47 115.31 121.94 3ek1 h LEU 111 Ca 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3ek1 h LEU 111 Cb 0.01 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 3ek1 h LEU 111 CO -0.06 0.81 0.02 0.22 -1.08 0.00 0.00 178.44 178.35 3ek1 h TYR 112 N 0.52 0.16 -0.42 1.13 3.20 -1.07 -1.76 116.97 118.73 3ek1 h TYR 112 Ca 0.08 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.95 3ek1 h TYR 112 Cb 0.67 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 3ek1 h TYR 112 CO 0.03 0.35 0.23 0.00 -1.64 0.00 0.00 178.16 177.13 3ek1 h ALA 113 N 0.79 0.53 -0.72 1.82 0.00 0.08 -2.12 119.26 119.65 3ek1 h ALA 113 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 113 Cb 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3ek1 h ALA 113 CO 0.00 -0.11 0.47 0.00 0.00 0.00 0.00 179.25 179.62 3ek1 h ALA 114 N 1.20 1.64 0.00 0.00 0.00 -0.85 -2.73 119.26 118.53 3ek1 h ALA 114 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3ek1 h ALA 114 Cb 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ek1 h ALA 114 CO -0.10 0.27 -0.11 0.66 0.00 0.00 0.00 179.25 179.97 3ek1 h SER 115 N 0.82 0.00 -0.55 0.00 4.64 -0.60 -0.32 113.55 117.54 3ek1 h SER 115 Ca 0.30 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 3ek1 h SER 115 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3ek1 h SER 115 CO -0.09 0.11 -0.01 -0.26 -0.87 0.00 0.00 176.83 175.71 3ek1 h PHE 116 N 0.00 1.09 -0.23 4.77 0.04 -1.50 -0.09 116.94 121.01 3ek1 h PHE 116 Ca -0.00 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.56 3ek1 h PHE 116 Cb 0.32 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3ek1 h PHE 116 CO 0.00 0.97 0.03 0.82 -0.60 0.00 0.00 178.31 179.54 3ek1 h ILE 117 N 0.92 1.23 -0.12 -0.55 2.04 -1.15 -1.55 117.51 118.33 3ek1 h ILE 117 Ca 0.16 -0.77 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3ek1 h ILE 117 Cb 0.55 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3ek1 h ILE 117 CO 0.03 0.24 -0.14 -0.08 0.00 0.00 0.00 178.15 178.21 3ek1 h GLU 118 N 0.19 -0.17 -0.40 2.37 4.81 -1.41 -1.01 114.58 118.97 3ek1 h GLU 118 Ca 0.07 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.36 3ek1 h GLU 118 Cb 0.33 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.70 3ek1 h GLU 118 CO 0.01 -0.11 0.13 2.35 -0.73 0.00 0.00 179.01 180.65 3ek1 h TRP 119 N -0.17 0.22 0.00 0.92 2.91 -0.85 -1.82 115.95 117.16 3ek1 h TRP 119 Ca 0.09 0.02 -0.14 0.00 1.13 0.00 0.00 58.89 59.99 3ek1 h TRP 119 Cb 0.30 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 28.89 3ek1 h TRP 119 CO -0.25 0.08 -0.68 0.74 -1.03 0.00 0.00 178.44 177.30 3ek1 h PHE 120 N 0.28 0.00 -0.52 2.65 0.04 -1.21 0.10 116.94 118.28 3ek1 h PHE 120 Ca 0.19 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.03 3ek1 h PHE 120 Cb 0.19 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 3ek1 h PHE 120 CO -0.16 0.67 0.21 0.00 -0.60 0.00 0.00 178.31 178.43 3ek1 h ALA 121 N 1.33 0.65 -0.73 2.45 0.00 -1.01 0.10 119.26 122.06 3ek1 h ALA 121 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 121 Cb 1.52 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3ek1 h ALA 121 CO 0.09 -0.18 0.20 0.93 0.00 0.00 0.00 179.25 180.29 3ek1 h GLU 122 N 0.40 1.14 -0.06 0.00 5.08 -1.01 -3.24 114.58 116.88 3ek1 h GLU 122 Ca 0.25 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3ek1 h GLU 122 Cb 0.25 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3ek1 h GLU 122 CO -0.24 0.99 -0.49 0.93 -1.00 0.00 0.00 179.01 179.20 3ek1 h GLU 123 N 1.09 0.15 -0.97 2.33 4.39 -0.40 -3.09 114.58 118.08 3ek1 h GLU 123 Ca 0.23 -0.08 0.31 0.00 0.34 0.00 0.00 59.36 60.16 3ek1 h GLU 123 Cb 0.34 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.84 3ek1 h GLU 123 CO -0.00 0.61 0.46 0.00 -1.16 0.00 0.00 179.01 178.92 3ek1 h ALA 124 N 1.38 1.80 0.00 3.43 0.00 -0.83 0.16 119.26 125.20 3ek1 h ALA 124 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ek1 h ALA 124 Cb 0.91 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ek1 h ALA 124 CO 0.07 -0.60 0.00 1.63 0.00 0.00 0.00 179.25 180.35 3ek1 n LYS 125 N -5.14 0.71 -0.54 0.00 5.02 -1.17 -3.56 118.16 113.48 3ek1 n LYS 125 Ca 0.30 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 3ek1 n LYS 125 Cb 0.95 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 34.58 3ek1 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ek1 n ARG 126 N -1.14 0.97 -2.35 1.97 1.74 0.55 -4.91 116.66 113.49 3ek1 n ARG 126 Ca 0.19 -2.47 -0.35 0.00 -0.77 0.00 0.00 57.85 54.45 3ek1 n ARG 126 Cb 0.17 -1.14 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 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 -2.06 3.75 0.05 1.55 1.01 -1.13 -4.96 120.40 118.60 3ek1 s VAL 127 Ca 0.29 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 3ek1 s VAL 127 Cb 0.28 -4.67 -0.06 0.00 0.00 0.00 0.00 36.38 31.92 3ek1 s VAL 127 CO -0.04 -1.54 0.50 -0.31 0.00 0.00 0.00 175.10 173.71 3ek1 s TYR 128 N 7.09 3.76 0.13 5.22 2.02 -1.26 -4.90 117.35 129.41 3ek1 s TYR 128 Ca 0.57 1.14 0.02 0.00 -0.37 0.00 0.00 57.07 58.43 3ek1 s TYR 128 Cb -0.02 -2.40 0.02 0.00 -0.40 0.00 0.00 41.96 39.16 3ek1 s TYR 128 CO -0.04 0.59 0.15 0.41 -1.57 0.00 0.00 175.55 175.10 3ek1 n GLY 129 N 1.66 2.22 3.26 0.71 0.00 -1.26 -4.84 105.19 106.93 3ek1 n GLY 129 Ca -0.11 -2.16 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 3ek1 n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ek1 s ASP 130 N -1.78 2.14 -0.03 1.61 1.01 -0.29 -4.95 116.67 114.38 3ek1 s ASP 130 Ca 0.12 -0.80 0.04 0.00 0.71 0.00 0.00 52.55 52.62 3ek1 s ASP 130 Cb -0.01 -0.09 -0.03 0.00 1.01 0.00 0.00 42.92 43.81 3ek1 s ASP 130 CO 0.07 -0.11 -0.13 0.42 0.21 0.00 0.00 175.17 175.64 3ek1 s THR 131 N -2.00 3.16 -0.06 -1.27 -4.23 -1.26 -0.41 115.64 109.57 3ek1 s THR 131 Ca 0.09 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.85 3ek1 s THR 131 Cb -0.06 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.52 3ek1 s THR 131 CO 0.04 0.53 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.90 3ek1 s ILE 132 N -0.80 1.05 0.12 2.99 1.01 -0.46 -5.00 121.20 120.12 3ek1 s ILE 132 Ca 0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 60.65 59.99 3ek1 s ILE 132 Cb -0.11 -0.97 -0.16 0.00 0.01 0.00 0.00 42.46 41.24 3ek1 s ILE 132 CO 0.02 0.34 1.41 -2.65 0.00 0.00 0.00 174.94 174.05 3ek1 n PRO 133 N 3.82 1.51 -2.90 2.79 -0.02 -1.26 -3.92 135.00 135.02 3ek1 n PRO 133 Ca -0.23 0.54 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 3ek1 n PRO 133 Cb 0.52 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.54 3.36 0.53 3.55 0.00 -1.26 -4.95 121.76 123.53 3ek1 s ALA 134 Ca 0.81 0.40 0.39 0.00 0.00 0.00 0.00 51.96 53.56 3ek1 s ALA 134 Cb -0.84 -3.07 2.06 0.00 0.00 0.00 0.00 23.12 21.27 3ek1 s ALA 134 CO 0.44 0.11 2.26 -1.35 0.00 0.00 0.00 175.76 177.22 3ek1 h PRO 135 N 5.20 0.00 -6.63 0.00 0.11 -1.93 -3.43 132.00 125.31 3ek1 h PRO 135 Ca -0.45 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.97 3ek1 h PRO 135 Cb 1.21 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.05 3ek1 h PRO 135 CO 0.70 0.01 -0.86 -0.65 -0.21 0.00 0.00 178.00 176.99 3ek1 s GLN 136 N -4.14 2.00 0.54 1.05 -0.21 -1.26 -5.11 119.66 112.54 3ek1 s GLN 136 Ca -0.04 -1.00 -0.19 0.00 0.02 0.00 0.00 55.36 54.16 3ek1 s GLN 136 Cb 0.13 -2.07 -0.06 0.00 1.00 0.00 0.00 33.01 32.00 3ek1 s GLN 136 CO 0.47 0.54 1.11 -0.80 -2.12 0.00 0.00 175.29 174.49 3ek1 s ASN 137 N -1.06 5.79 0.00 5.90 0.02 -1.26 -3.16 114.94 121.17 3ek1 s ASN 137 Ca 0.12 2.09 0.00 0.00 -1.02 0.00 0.00 52.86 54.05 3ek1 s ASN 137 Cb -0.10 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.60 3ek1 s ASN 137 CO 0.02 -1.16 0.00 0.61 0.02 0.00 0.00 177.10 176.58 3ek1 n GLY 138 N -0.04 0.62 3.24 0.66 0.00 -1.26 -5.03 105.19 103.38 3ek1 n GLY 138 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.08 1.35 -0.06 1.61 -0.21 -1.19 -1.29 119.66 119.79 3ek1 s GLN 139 Ca 0.00 -0.92 0.04 0.00 0.02 0.00 0.00 55.36 54.50 3ek1 s GLN 139 Cb 0.00 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.56 3ek1 s GLN 139 CO 0.00 0.37 -0.17 1.03 -2.12 0.00 0.00 175.29 174.40 3ek1 s ARG 140 N -1.16 1.96 -0.16 2.91 1.81 0.13 -4.60 118.95 119.84 3ek1 s ARG 140 Ca 0.07 -0.61 -0.03 0.00 -1.72 0.00 0.00 55.73 53.44 3ek1 s ARG 140 Cb -0.09 -1.64 -0.02 0.00 -0.45 0.00 0.00 34.95 32.75 3ek1 s ARG 140 CO 0.02 0.20 -0.06 -0.51 -0.68 0.00 0.00 175.30 174.26 3ek1 s LEU 141 N 0.20 3.08 0.05 2.53 1.43 -1.25 -0.91 118.68 123.80 3ek1 s LEU 141 Ca -0.08 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 3ek1 s LEU 141 Cb -0.13 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3ek1 s LEU 141 CO 0.03 0.14 -0.15 -0.89 0.23 0.00 0.00 176.35 175.71 3ek1 s THR 142 N 0.50 1.22 -0.10 5.49 2.01 0.02 -1.35 115.64 123.44 3ek1 s THR 142 Ca -0.05 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.87 3ek1 s THR 142 Cb -0.15 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.26 3ek1 s THR 142 CO 0.03 -0.01 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.07 3ek1 s VAL 143 N -0.93 1.71 0.31 3.82 1.01 0.46 -0.29 120.40 126.48 3ek1 s VAL 143 Ca 0.02 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3ek1 s VAL 143 Cb -0.08 -1.51 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 3ek1 s VAL 143 CO 0.02 0.48 -0.10 0.27 0.00 0.00 0.00 175.10 175.77 3ek1 s ILE 144 N 0.61 2.06 -0.06 2.22 -4.36 0.60 -1.14 121.20 121.13 3ek1 s ILE 144 Ca -0.14 -2.21 0.03 0.00 -0.26 0.00 0.00 60.65 58.08 3ek1 s ILE 144 Cb -0.17 -2.52 0.01 0.00 1.25 0.00 0.00 42.46 41.04 3ek1 s ILE 144 CO 0.04 -0.27 -0.14 -0.13 0.24 0.00 0.00 174.94 174.67 3ek1 s ARG 145 N -3.64 1.78 0.05 0.37 0.52 -1.26 -0.51 118.95 116.26 3ek1 s ARG 145 Ca 0.31 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 3ek1 s ARG 145 Cb 0.02 -1.48 -0.03 0.00 0.52 0.00 0.00 34.95 33.97 3ek1 s ARG 145 CO 0.14 0.11 -0.04 -0.65 0.02 0.00 0.00 175.30 174.88 3ek1 s GLN 146 N 0.40 0.53 0.54 3.54 -0.21 -0.45 -4.90 119.66 119.11 3ek1 s GLN 146 Ca -0.11 -0.96 -0.21 0.00 0.02 0.00 0.00 55.36 54.11 3ek1 s GLN 146 Cb -0.14 0.02 -0.05 0.00 1.00 0.00 0.00 33.01 33.84 3ek1 s GLN 146 CO 0.03 -0.05 1.26 -1.25 -2.12 0.00 0.00 175.29 173.17 3ek1 s PRO 147 N -2.68 3.22 0.26 2.91 0.04 -1.25 0.13 135.00 137.63 3ek1 s PRO 147 Ca -0.03 1.99 0.04 0.00 0.04 0.00 0.00 61.00 63.04 3ek1 s PRO 147 Cb -0.02 -2.18 0.33 0.00 0.04 0.00 0.00 34.50 32.68 3ek1 s PRO 147 CO -0.04 -1.05 1.63 0.28 0.04 0.00 0.00 177.00 177.85 3ek1 h VAL 148 N 1.35 1.33 0.00 -0.36 2.07 -1.54 -3.42 116.25 115.68 3ek1 h VAL 148 Ca -0.50 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3ek1 h VAL 148 Cb 1.29 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3ek1 h VAL 148 CO 0.57 0.51 0.00 0.61 0.02 0.00 0.00 177.57 179.28 3ek1 n GLY 149 N 0.02 0.21 3.69 2.17 0.00 -1.26 -4.90 105.19 105.11 3ek1 n GLY 149 Ca -0.02 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.34 4.44 0.10 1.61 1.01 -1.26 -2.91 120.40 123.04 3ek1 s VAL 150 Ca 0.00 1.74 0.09 0.00 0.00 0.00 0.00 61.98 63.81 3ek1 s VAL 150 Cb 0.00 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3ek1 s VAL 150 CO 0.00 -0.00 -0.23 0.42 0.00 0.00 0.00 175.10 175.29 3ek1 s THR 151 N 2.17 1.88 -0.04 3.92 -4.23 -0.64 -0.37 115.64 118.33 3ek1 s THR 151 Ca 0.53 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.53 3ek1 s THR 151 Cb -0.22 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 3ek1 s THR 151 CO 0.20 0.03 -0.19 0.00 -0.54 0.00 0.00 174.62 174.13 3ek1 s ALA 152 N -1.08 2.48 -0.09 3.99 0.00 -0.35 -1.08 121.76 125.63 3ek1 s ALA 152 Ca 0.09 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 51.05 3ek1 s ALA 152 Cb -0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3ek1 s ALA 152 CO 0.04 0.54 -0.17 0.00 0.00 0.00 0.00 175.76 176.17 3ek1 s ALA 153 N -0.66 2.49 -0.14 0.00 0.00 0.75 -0.87 121.76 123.33 3ek1 s ALA 153 Ca 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3ek1 s ALA 153 Cb -0.11 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3ek1 s ALA 153 CO 0.00 0.37 -0.17 0.42 0.00 0.00 0.00 175.76 176.38 3ek1 s ILE 154 N -0.06 1.73 0.09 0.00 1.01 -0.39 -0.36 121.20 123.22 3ek1 s ILE 154 Ca -0.04 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.91 3ek1 s ILE 154 Cb -0.14 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3ek1 s ILE 154 CO 0.04 0.49 -0.16 0.42 0.00 0.00 0.00 174.94 175.73 3ek1 s THR 155 N 1.14 1.29 0.70 2.92 -4.23 -0.86 -2.00 115.64 114.61 3ek1 s THR 155 Ca -0.02 -1.44 -0.04 0.00 -1.18 0.00 0.00 61.69 59.02 3ek1 s THR 155 Cb -0.14 -1.27 0.09 0.00 1.34 0.00 0.00 72.50 72.52 3ek1 s THR 155 CO -0.06 -0.22 0.99 -2.16 -0.54 0.00 0.00 174.62 172.63 3ek1 s PRO 156 N -1.95 1.91 0.24 3.99 0.04 -1.22 -2.16 135.00 135.85 3ek1 s PRO 156 Ca 0.02 -0.70 0.24 0.00 0.04 0.00 0.00 61.00 60.61 3ek1 s PRO 156 Cb -0.09 -2.26 0.47 0.00 0.04 0.00 0.00 34.50 32.66 3ek1 s PRO 156 CO 0.03 -1.33 1.52 0.11 0.04 0.00 0.00 177.00 177.37 3ek1 h TRP 157 N -0.54 0.00 0.00 0.56 5.08 -1.93 -3.39 115.95 115.73 3ek1 h TRP 157 Ca -0.41 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.47 3ek1 h TRP 157 Cb 1.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.43 3ek1 h TRP 157 CO -0.01 0.00 -0.42 -2.95 -1.28 0.00 0.00 178.44 173.77 3ek1 h ASN 158 N 0.00 0.00 -2.54 0.11 -1.07 -1.95 -3.33 115.58 106.80 3ek1 h ASN 158 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.77 3ek1 h ASN 158 Cb 0.83 0.00 -0.39 0.00 -2.07 0.00 0.00 38.32 36.69 3ek1 h ASN 158 CO 0.00 0.42 -0.87 0.49 0.07 0.00 0.00 177.43 177.55 3ek1 n PHE 159 N -3.26 0.31 0.30 4.14 3.72 -1.26 -5.01 117.46 116.39 3ek1 n PHE 159 Ca 0.02 -3.60 0.14 0.00 -0.05 0.00 0.00 57.45 53.95 3ek1 n PHE 159 Cb 0.66 -0.02 0.64 0.00 -0.94 0.00 0.00 39.48 39.82 3ek1 n PHE 159 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3ek1 h PRO 160 N 5.46 0.00 0.00 -1.08 0.11 -1.75 -2.66 132.00 132.08 3ek1 h PRO 160 Ca 0.23 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.07 3ek1 h PRO 160 Cb 0.86 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 3ek1 h PRO 160 CO 0.48 0.00 -1.83 0.00 -0.21 0.00 0.00 178.00 176.44 3ek1 n ALA 161 N -1.86 1.49 0.09 -0.75 0.00 -1.26 -4.20 120.51 114.02 3ek1 n ALA 161 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 53.44 52.61 3ek1 n ALA 161 Cb 0.16 0.17 0.25 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.80 1.17 0.00 0.00 0.00 -1.80 -1.47 119.26 116.36 3ek1 h ALA 162 Ca -0.40 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 3ek1 h ALA 162 Cb 1.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ek1 h ALA 162 CO -0.24 0.55 -0.24 0.52 0.00 0.00 0.00 179.25 179.84 3ek1 h MET 163 N 0.22 0.00 0.09 0.00 2.86 -1.77 -1.11 114.93 115.22 3ek1 h MET 163 Ca 0.02 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.51 3ek1 h MET 163 Cb 0.74 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.42 3ek1 h MET 163 CO 0.06 0.24 -0.65 0.82 1.06 0.00 0.00 176.91 178.44 3ek1 h ILE 164 N 0.00 1.53 0.00 -1.22 2.04 -1.51 -3.32 117.51 115.04 3ek1 h ILE 164 Ca -0.00 -2.40 -0.08 0.00 1.00 0.00 0.00 64.86 63.38 3ek1 h ILE 164 Cb 0.75 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.91 3ek1 h ILE 164 CO 0.03 0.67 -0.39 0.71 0.00 0.00 0.00 178.15 179.18 3ek1 h THR 165 N -0.40 1.04 0.00 -0.27 1.35 -1.35 -0.72 112.91 112.55 3ek1 h THR 165 Ca -0.11 -1.46 -0.00 0.00 -0.55 0.00 0.00 66.41 64.29 3ek1 h THR 165 Cb 1.47 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3ek1 h THR 165 CO 0.12 0.38 -0.01 0.03 -0.25 0.00 0.00 175.52 175.79 3ek1 h ARG 166 N 0.00 0.00 0.00 4.72 3.08 -1.31 -1.43 114.38 119.44 3ek1 h ARG 166 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3ek1 h ARG 166 Cb 0.81 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 3ek1 h ARG 166 CO 0.05 0.01 -2.00 1.63 -1.07 0.00 0.00 179.97 178.59 3ek1 n LYS 167 N -3.16 0.43 -0.04 0.04 5.02 -0.92 -4.58 118.16 114.95 3ek1 n LYS 167 Ca -0.02 0.11 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3ek1 n LYS 167 Cb 0.16 -1.31 0.09 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.13 0.84 0.15 7.82 0.00 -1.15 -2.57 119.26 124.21 3ek1 h ALA 168 Ca -0.40 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 3ek1 h ALA 168 Cb 1.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ek1 h ALA 168 CO -0.11 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.71 3ek1 h ALA 169 N 1.07 -0.20 -0.33 0.00 0.00 -1.48 0.17 119.26 118.49 3ek1 h ALA 169 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3ek1 h ALA 169 Cb 0.85 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3ek1 h ALA 169 CO 0.07 -0.48 -0.28 -1.00 0.00 0.00 0.00 179.25 177.57 3ek1 h PRO 170 N -0.47 0.68 0.48 0.00 0.13 -1.77 -0.96 132.00 130.09 3ek1 h PRO 170 Ca -0.02 -0.29 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 3ek1 h PRO 170 Cb 0.37 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.48 3ek1 h PRO 170 CO 0.03 0.88 -0.23 0.00 -0.23 0.00 0.00 178.00 178.45 3ek1 h ALA 171 N 1.11 -0.65 -0.45 -0.56 0.00 -1.36 -0.41 119.26 116.94 3ek1 h ALA 171 Ca 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 171 Cb 0.77 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3ek1 h ALA 171 CO 0.06 -0.87 0.23 -0.07 0.00 0.00 0.00 179.25 178.61 3ek1 h LEU 172 N -0.65 0.57 -1.03 0.00 4.07 -0.95 -0.47 115.31 116.85 3ek1 h LEU 172 Ca -0.07 -0.11 0.14 0.00 0.08 0.00 0.00 57.88 57.93 3ek1 h LEU 172 Cb 0.50 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.00 3ek1 h LEU 172 CO 0.11 0.52 0.63 0.00 -1.08 0.00 0.00 178.44 178.61 3ek1 h ALA 173 N 1.08 1.58 0.00 1.53 0.00 -0.96 -0.78 119.26 121.72 3ek1 h ALA 173 Ca 0.16 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ek1 h ALA 173 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ek1 h ALA 173 CO -0.02 0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3ek1 n ALA 174 N -2.35 1.77 -0.36 0.00 0.00 -0.18 -4.65 120.51 114.74 3ek1 n ALA 174 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3ek1 n ALA 174 Cb 0.42 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 0.23 0.81 3.93 0.00 0.00 -0.30 -3.94 105.19 105.92 3ek1 n GLY 175 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.85 5.07 -0.00 0.00 -4.23 -1.15 -3.99 115.64 108.49 3ek1 s THR 177 Ca 0.52 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 3ek1 s THR 177 Cb -0.10 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.06 3ek1 s THR 177 CO 0.43 -0.21 -0.00 -0.32 -0.54 0.00 0.00 174.62 173.98 3ek1 s MET 178 N -3.55 0.01 -0.21 3.99 0.00 0.25 -1.62 119.30 118.17 3ek1 s MET 178 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 55.69 55.97 3ek1 s MET 178 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 34.83 34.69 3ek1 s MET 178 CO 0.27 -0.00 0.01 0.42 0.00 0.00 0.00 175.02 175.72 3ek1 s ILE 179 N 0.02 3.97 -0.21 10.11 1.01 -0.24 -1.40 121.20 134.47 3ek1 s ILE 179 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3ek1 s ILE 179 Cb -0.00 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.64 3ek1 s ILE 179 CO -0.00 0.42 0.01 -0.69 0.00 0.00 0.00 174.94 174.68 3ek1 s VAL 180 N 1.09 3.99 -0.33 2.92 1.01 0.60 -0.18 120.40 129.50 3ek1 s VAL 180 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 3ek1 s VAL 180 Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 3ek1 s VAL 180 CO 0.02 0.42 0.19 -0.60 0.00 0.00 0.00 175.10 175.12 3ek1 s ARG 181 N 1.10 3.30 0.67 2.72 3.52 0.51 -1.14 118.95 129.63 3ek1 s ARG 181 Ca 0.03 -0.76 -0.05 0.00 -0.13 0.00 0.00 55.73 54.82 3ek1 s ARG 181 Cb -0.14 -3.68 0.05 0.00 -1.56 0.00 0.00 34.95 29.62 3ek1 s ARG 181 CO 0.02 -0.48 0.96 -1.25 -0.81 0.00 0.00 175.30 173.73 3ek1 s PRO 182 N 1.64 2.30 0.26 5.12 0.04 -1.26 -2.02 135.00 141.07 3ek1 s PRO 182 Ca 0.05 -0.37 -0.31 0.00 0.04 0.00 0.00 61.00 60.41 3ek1 s PRO 182 Cb -0.18 -2.25 -0.12 0.00 0.04 0.00 0.00 34.50 32.00 3ek1 s PRO 182 CO 0.08 -1.10 1.63 0.00 0.04 0.00 0.00 177.00 177.64 3ek1 n ALA 183 N -2.78 2.50 -0.21 8.56 0.00 -0.92 -4.86 120.51 122.80 3ek1 n ALA 183 Ca 0.08 0.39 0.20 0.00 0.00 0.00 0.00 53.44 54.11 3ek1 n ALA 183 Cb 0.60 -2.47 0.55 0.00 0.00 0.00 0.00 19.45 18.14 3ek1 n ALA 183 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3ek1 h ASP 184 N 5.45 0.32 1.16 0.00 3.32 -1.90 -2.12 116.42 122.65 3ek1 h ASP 184 Ca -0.45 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.55 3ek1 h ASP 184 Cb 1.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3ek1 h ASP 184 CO 0.85 0.13 -0.38 -0.07 -1.72 0.00 0.00 179.24 178.04 3ek1 h LEU 185 N 0.32 0.00 -5.81 1.55 3.38 -1.95 -3.37 115.31 109.43 3ek1 h LEU 185 Ca 0.44 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.96 3ek1 h LEU 185 Cb 1.21 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.57 3ek1 h LEU 185 CO -0.13 0.38 -1.18 0.35 0.09 0.00 0.00 178.44 177.95 3ek1 n THR 186 N -3.36 0.03 0.18 0.22 -2.24 -0.82 -4.74 114.28 103.55 3ek1 n THR 186 Ca 0.01 -4.27 0.10 0.00 -2.27 0.00 0.00 64.05 57.62 3ek1 n THR 186 Cb 0.59 -0.07 0.11 0.00 -2.10 0.00 0.00 70.33 68.85 3ek1 n THR 186 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3ek1 h PRO 187 N 3.00 0.00 -0.34 -0.78 0.13 -1.66 -3.38 132.00 128.96 3ek1 h PRO 187 Ca 0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 3ek1 h PRO 187 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 3ek1 h PRO 187 CO 0.49 0.08 -0.17 -0.07 -0.23 0.00 0.00 178.00 178.10 3ek1 h LEU 188 N 0.00 0.61 -0.94 1.56 3.38 -1.91 -0.78 115.31 117.23 3ek1 h LEU 188 Ca -0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3ek1 h LEU 188 Cb 1.07 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3ek1 h LEU 188 CO 0.01 0.80 0.29 0.74 0.09 0.00 0.00 178.44 180.37 3ek1 h THR 189 N 0.56 1.24 -0.54 0.22 2.02 -1.87 -1.66 112.91 112.88 3ek1 h THR 189 Ca 0.09 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 3ek1 h THR 189 Cb 0.61 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3ek1 h THR 189 CO 0.04 0.31 0.27 0.00 0.37 0.00 0.00 175.52 176.51 3ek1 h ALA 190 N 1.28 0.69 -0.39 6.16 0.00 -1.34 -2.30 119.26 123.36 3ek1 h ALA 190 Ca 0.24 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3ek1 h ALA 190 Cb 0.19 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ek1 h ALA 190 CO -0.02 0.25 -0.11 -0.07 0.00 0.00 0.00 179.25 179.29 3ek1 h LEU 191 N 0.72 0.67 -0.49 0.00 3.38 -0.94 -1.82 115.31 116.84 3ek1 h LEU 191 Ca 0.19 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ek1 h LEU 191 Cb 0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3ek1 h LEU 191 CO -0.03 0.82 0.30 0.00 0.09 0.00 0.00 178.44 179.62 3ek1 h ALA 192 N 1.25 0.62 -0.56 1.53 0.00 -1.05 0.42 119.26 121.47 3ek1 h ALA 192 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ek1 h ALA 192 Cb 0.56 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 192 CO 0.03 0.10 0.37 -0.07 0.00 0.00 0.00 179.25 179.69 3ek1 h LEU 193 N 0.65 0.52 -0.16 0.00 3.38 -0.93 -1.59 115.31 117.17 3ek1 h LEU 193 Ca 0.18 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ek1 h LEU 193 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ek1 h LEU 193 CO -0.03 0.35 0.10 1.23 0.09 0.00 0.00 178.44 180.17 3ek1 h GLY 194 N 0.60 0.24 0.36 0.83 0.00 -0.42 0.59 103.07 105.26 3ek1 h GLY 194 Ca 0.23 -0.10 0.10 0.00 0.00 0.00 0.00 47.33 47.56 3ek1 h GLY 194 CO -0.06 0.10 0.28 -2.08 0.00 0.00 0.00 176.54 174.78 3ek1 h VAL 195 N 0.18 0.77 -0.01 4.60 2.07 -0.10 -1.93 116.25 121.82 3ek1 h VAL 195 Ca 0.06 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 3ek1 h VAL 195 Cb 0.04 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3ek1 h VAL 195 CO -0.01 0.09 -0.77 -0.07 0.02 0.00 0.00 177.57 176.82 3ek1 h LEU 196 N 0.47 0.18 -0.17 2.57 3.38 -1.07 -2.60 115.31 118.07 3ek1 h LEU 196 Ca 0.34 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.23 3ek1 h LEU 196 Cb 0.43 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3ek1 h LEU 196 CO -0.32 0.88 -0.16 0.00 0.09 0.00 0.00 178.44 178.94 3ek1 h ALA 197 N 1.11 -0.05 -0.13 1.53 0.00 -0.47 0.21 119.26 121.47 3ek1 h ALA 197 Ca -0.02 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 197 Cb 1.35 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3ek1 h ALA 197 CO 0.11 -0.60 -0.16 0.93 0.00 0.00 0.00 179.25 179.54 3ek1 h GLU 198 N -0.18 -0.19 -0.54 0.00 5.08 -1.30 -1.22 114.58 116.24 3ek1 h GLU 198 Ca 0.11 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 3ek1 h GLU 198 Cb 0.34 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3ek1 h GLU 198 CO -0.27 -0.13 0.36 -0.22 -1.00 0.00 0.00 179.01 177.75 3ek1 h LYS 199 N -0.20 0.45 0.00 2.33 3.64 -1.16 0.10 116.57 121.73 3ek1 h LYS 199 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3ek1 h LYS 199 Cb 0.34 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ek1 h LYS 199 CO -0.25 0.30 0.00 0.00 -2.27 0.00 0.00 179.45 177.23 3ek1 h ALA 200 N 1.71 1.00 0.00 5.00 0.00 0.57 -3.46 119.26 124.08 3ek1 h ALA 200 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ek1 h ALA 200 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 200 CO -0.06 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3ek1 n GLY 201 N 0.25 1.45 3.65 0.00 0.00 0.02 -4.76 105.19 105.81 3ek1 n GLY 201 Ca 0.02 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3ek1 n GLY 201 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ek1 s ILE 202 N -2.00 4.35 0.79 -0.61 1.01 -0.75 -4.98 121.20 119.01 3ek1 s ILE 202 Ca 0.00 1.62 -0.15 0.00 0.00 0.00 0.00 60.65 62.12 3ek1 s ILE 202 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3ek1 s ILE 202 CO 0.00 -0.21 0.67 -2.65 0.00 0.00 0.00 174.94 172.75 3ek1 n PRO 203 N 6.66 0.18 -1.79 2.79 -0.02 -1.26 -4.61 135.00 136.96 3ek1 n PRO 203 Ca 0.14 0.11 -0.41 0.00 -2.02 0.00 0.00 63.50 61.31 3ek1 n PRO 203 Cb 0.45 -1.99 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 3ek1 n PRO 203 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ek1 s ALA 204 N -2.04 3.72 0.00 3.55 0.00 -1.26 -1.78 121.76 123.95 3ek1 s ALA 204 Ca 0.66 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.18 3ek1 s ALA 204 Cb -0.31 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.17 3ek1 s ALA 204 CO 0.58 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3ek1 n GLY 205 N 1.92 2.32 0.16 0.00 0.00 -1.26 -4.70 105.19 103.63 3ek1 n GLY 205 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3ek1 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ek1 h VAL 206 N 0.00 1.38 -3.34 1.61 2.07 -1.67 -3.36 116.25 112.93 3ek1 h VAL 206 Ca 0.00 -2.05 -0.68 0.00 0.82 0.00 0.00 66.70 64.80 3ek1 h VAL 206 Cb 0.00 2.44 -0.32 0.00 -1.52 0.00 0.00 31.29 31.88 3ek1 h VAL 206 CO 0.00 0.61 -0.87 -0.22 0.02 0.00 0.00 177.57 177.11 3ek1 s LEU 207 N -8.36 2.16 0.03 2.57 2.96 -1.26 -0.58 118.68 116.20 3ek1 s LEU 207 Ca -0.12 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.28 3ek1 s LEU 207 Cb 0.05 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 3ek1 s LEU 207 CO 0.85 0.16 -0.08 -1.10 -1.32 0.00 0.00 176.35 174.86 3ek1 s GLN 208 N 0.34 0.53 -0.12 1.98 -0.21 -0.49 -4.80 119.66 116.89 3ek1 s GLN 208 Ca -0.18 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.63 3ek1 s GLN 208 Cb -0.18 -0.40 0.03 0.00 1.00 0.00 0.00 33.01 33.47 3ek1 s GLN 208 CO 0.09 0.09 -0.03 0.42 -2.12 0.00 0.00 175.29 173.74 3ek1 s ILE 209 N -0.89 0.76 -0.04 1.08 1.01 -0.45 -0.29 121.20 122.38 3ek1 s ILE 209 Ca -0.05 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.37 3ek1 s ILE 209 Cb -0.07 -0.92 0.00 0.00 0.01 0.00 0.00 42.46 41.48 3ek1 s ILE 209 CO 0.00 0.20 -0.13 0.68 0.00 0.00 0.00 174.94 175.69 3ek1 s VAL 210 N 1.80 1.09 0.20 2.92 -7.23 -0.29 -1.77 120.40 117.12 3ek1 s VAL 210 Ca 0.03 -0.53 0.11 0.00 -1.81 0.00 0.00 61.98 59.79 3ek1 s VAL 210 Cb -0.14 -0.96 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 3ek1 s VAL 210 CO -0.07 0.33 -0.20 0.42 -0.31 0.00 0.00 175.10 175.27 3ek1 s THR 211 N 0.16 2.57 -5.00 5.32 -4.23 -1.26 -4.06 115.64 109.13 3ek1 s THR 211 Ca -0.04 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3ek1 s THR 211 Cb -0.10 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.48 3ek1 s THR 211 CO 0.01 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 3ek1 n GLY 212 N 0.09 0.38 3.72 3.99 0.00 -1.25 -0.84 105.19 111.28 3ek1 n GLY 212 Ca -0.11 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3ek1 n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ek1 s LYS 213 N -2.00 4.42 0.10 1.61 1.02 -1.26 -4.88 119.74 118.76 3ek1 s LYS 213 Ca 0.00 1.90 -0.20 0.00 0.02 0.00 0.00 55.97 57.69 3ek1 s LYS 213 Cb 0.00 -3.28 -0.09 0.00 -0.52 0.00 0.00 37.83 33.95 3ek1 s LYS 213 CO 0.00 -0.24 1.69 0.00 -0.92 0.00 0.00 175.35 175.88 3ek1 h ALA 214 N 6.17 0.24 -0.12 5.17 0.00 -1.98 -1.23 119.26 127.50 3ek1 h ALA 214 Ca -0.43 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3ek1 h ALA 214 Cb 1.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3ek1 h ALA 214 CO 0.80 -0.22 0.05 -0.09 0.00 0.00 0.00 179.25 179.79 3ek1 h ARG 215 N 0.19 0.18 -0.04 0.00 2.43 -1.97 0.15 114.38 115.31 3ek1 h ARG 215 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3ek1 h ARG 215 Cb 0.09 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3ek1 h ARG 215 CO -0.01 0.27 -0.06 0.93 -1.51 0.00 0.00 179.97 179.60 3ek1 h GLU 216 N 0.04 0.11 -0.39 0.20 3.07 -1.95 -0.18 114.58 115.47 3ek1 h GLU 216 Ca 0.04 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3ek1 h GLU 216 Cb 0.16 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3ek1 h GLU 216 CO -0.00 0.61 0.02 0.82 -1.40 0.00 0.00 179.01 179.06 3ek1 h ILE 217 N -0.39 1.26 -0.67 3.13 2.04 -1.26 -2.24 117.51 119.37 3ek1 h ILE 217 Ca 0.00 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 3ek1 h ILE 217 Cb 0.60 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3ek1 h ILE 217 CO 0.01 0.33 0.37 1.23 0.00 0.00 0.00 178.15 180.09 3ek1 h GLY 218 N 0.52 0.98 1.29 5.37 0.00 -0.72 -0.62 103.07 109.87 3ek1 h GLY 218 Ca 0.11 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 3ek1 h GLY 218 CO 0.02 0.41 -0.06 0.00 0.00 0.00 0.00 176.54 176.90 3ek1 h ALA 219 N 1.49 0.98 -0.32 3.60 0.00 -0.76 -2.05 119.26 122.19 3ek1 h ALA 219 Ca 0.24 -0.30 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3ek1 h ALA 219 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3ek1 h ALA 219 CO -0.04 0.61 -0.49 1.49 0.00 0.00 0.00 179.25 180.82 3ek1 h GLU 220 N 0.78 0.90 -0.20 0.00 4.57 -0.83 -1.83 114.58 117.97 3ek1 h GLU 220 Ca 0.14 -0.54 -0.04 0.00 -1.18 0.00 0.00 59.36 57.74 3ek1 h GLU 220 Cb 0.55 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3ek1 h GLU 220 CO 0.03 1.18 -0.07 -0.07 -1.18 0.00 0.00 179.01 178.91 3ek1 h LEU 221 N 0.70 0.28 0.00 1.64 3.38 -0.95 -1.50 115.31 118.86 3ek1 h LEU 221 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3ek1 h LEU 221 Cb 1.10 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3ek1 h LEU 221 CO 0.11 0.39 -0.85 0.71 0.09 0.00 0.00 178.44 178.90 3ek1 h THR 222 N 0.29 0.00 0.00 0.22 1.35 -1.28 -3.36 112.91 110.13 3ek1 h THR 222 Ca 0.06 -0.73 -0.10 0.00 -0.55 0.00 0.00 66.41 65.09 3ek1 h THR 222 Cb 0.31 1.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 3ek1 h THR 222 CO 0.01 0.00 -2.06 -1.54 -0.25 0.00 0.00 175.52 171.68 3ek1 n SER 223 N -2.37 0.20 -4.67 5.36 3.41 -0.70 -4.40 113.62 110.45 3ek1 n SER 223 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 3ek1 n SER 223 Cb 0.49 1.69 -0.03 0.00 -0.26 0.00 0.00 64.21 66.11 3ek1 n SER 223 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ek1 s ASN 224 N -4.69 6.73 0.47 4.04 3.84 -0.58 -4.93 114.94 119.82 3ek1 s ASN 224 Ca -0.08 2.18 0.18 0.00 0.21 0.00 0.00 52.86 55.34 3ek1 s ASN 224 Cb 0.11 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.43 3ek1 s ASN 224 CO 0.85 -0.86 1.99 0.44 -2.79 0.00 0.00 177.10 176.73 3ek1 h ASP 225 N 8.93 0.24 0.24 -4.21 5.19 -1.92 -1.74 116.42 123.14 3ek1 h ASP 225 Ca -0.38 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.00 3ek1 h ASP 225 Cb 1.17 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 3ek1 h ASP 225 CO 0.94 0.14 -0.19 0.74 -3.12 0.00 0.00 179.24 177.76 3ek1 h THR 226 N 0.26 1.01 -3.27 0.35 2.02 -1.97 -3.41 112.91 107.91 3ek1 h THR 226 Ca 0.26 -0.66 -0.58 0.00 0.77 0.00 0.00 66.41 66.20 3ek1 h THR 226 Cb 0.69 1.37 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 3ek1 h THR 226 CO -0.06 0.18 0.70 -0.69 0.37 0.00 0.00 175.52 176.02 3ek1 s VAL 227 N -4.50 4.65 -0.88 3.16 1.01 -0.66 -4.36 120.40 118.83 3ek1 s VAL 227 Ca -0.04 1.69 0.19 0.00 0.00 0.00 0.00 61.98 63.82 3ek1 s VAL 227 Cb 0.15 -4.30 -0.22 0.00 0.00 0.00 0.00 36.38 32.02 3ek1 s VAL 227 CO 0.67 -0.30 0.81 0.54 0.00 0.00 0.00 175.10 176.82 3ek1 n ARG 228 N 6.48 0.54 -3.69 2.72 1.74 0.50 -4.93 116.66 120.03 3ek1 n ARG 228 Ca 0.10 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 57.06 3ek1 n ARG 228 Cb 0.47 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 3ek1 n ARG 228 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3ek1 s LYS 229 N -2.88 0.52 -0.05 5.56 2.47 -1.23 -2.01 119.74 122.13 3ek1 s LYS 229 Ca 0.07 0.84 0.04 0.00 -1.56 0.00 0.00 55.97 55.36 3ek1 s LYS 229 Cb 0.15 0.11 -0.03 0.00 -1.46 0.00 0.00 37.83 36.60 3ek1 s LYS 229 CO 0.81 -0.13 -0.16 -1.17 0.16 0.00 0.00 175.35 174.86 3ek1 s LEU 230 N 1.07 2.66 -0.10 5.43 2.96 0.18 -1.22 118.68 129.66 3ek1 s LEU 230 Ca -0.06 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3ek1 s LEU 230 Cb -0.06 -1.53 0.02 0.00 0.50 0.00 0.00 46.19 45.12 3ek1 s LEU 230 CO -0.10 0.34 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.63 3ek1 s SER 231 N -0.71 2.11 -0.05 3.68 0.15 -0.05 -1.32 113.70 117.52 3ek1 s SER 231 Ca 0.11 -0.32 0.04 0.00 0.70 0.00 0.00 55.95 56.48 3ek1 s SER 231 Cb -0.11 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 3ek1 s SER 231 CO 0.00 -0.07 -0.16 0.12 1.20 0.00 0.00 173.24 174.34 3ek1 s PHE 232 N 1.38 1.63 -0.07 3.44 5.36 -0.47 -1.26 117.98 128.00 3ek1 s PHE 232 Ca -0.01 -0.50 0.06 0.00 -0.96 0.00 0.00 56.93 55.52 3ek1 s PHE 232 Cb -0.14 -1.12 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 3ek1 s PHE 232 CO -0.05 -0.19 -0.25 0.99 -1.46 0.00 0.00 175.22 174.26 3ek1 s THR 233 N 0.18 2.06 -5.00 0.12 2.01 -0.85 -1.24 115.64 112.92 3ek1 s THR 233 Ca -0.06 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.88 3ek1 s THR 233 Cb -0.12 -1.75 0.00 0.00 0.01 0.00 0.00 72.50 70.64 3ek1 s THR 233 CO 0.03 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3ek1 n GLY 234 N 3.08 -0.19 3.76 4.40 0.00 -0.71 -3.46 105.19 112.07 3ek1 n GLY 234 Ca -0.18 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 3ek1 n GLY 234 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ek1 s SER 235 N -4.00 5.29 0.31 1.61 1.04 -1.26 -4.05 113.70 112.64 3ek1 s SER 235 Ca 0.00 2.30 0.01 0.00 0.48 0.00 0.00 55.95 58.74 3ek1 s SER 235 Cb 0.00 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 64.02 3ek1 s SER 235 CO 0.00 -1.52 1.88 0.74 0.98 0.00 0.00 173.24 175.32 3ek1 h THR 236 N 0.87 1.21 -0.24 2.02 2.02 -1.92 -0.53 112.91 116.33 3ek1 h THR 236 Ca -0.50 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 3ek1 h THR 236 Cb 1.28 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3ek1 h THR 236 CO 0.55 0.26 0.14 -0.33 0.37 0.00 0.00 175.52 176.52 3ek1 h GLU 237 N 0.77 0.33 -0.19 6.66 3.07 -1.98 -0.57 114.58 122.67 3ek1 h GLU 237 Ca 0.18 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.94 3ek1 h GLU 237 Cb 0.20 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3ek1 h GLU 237 CO -0.01 0.27 -0.14 0.28 -1.40 0.00 0.00 179.01 178.01 3ek1 h VAL 238 N 0.30 1.32 -0.92 3.13 2.07 -1.91 -2.78 116.25 117.46 3ek1 h VAL 238 Ca 0.09 -1.25 0.18 0.00 0.82 0.00 0.00 66.70 66.53 3ek1 h VAL 238 Cb 0.03 1.72 -0.10 0.00 -1.52 0.00 0.00 31.29 31.41 3ek1 h VAL 238 CO -0.02 0.38 0.50 1.23 0.02 0.00 0.00 177.57 179.68 3ek1 h GLY 239 N 0.11 1.58 1.03 2.17 0.00 -0.89 -0.51 103.07 106.56 3ek1 h GLY 239 Ca 0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3ek1 h GLY 239 CO 0.04 -0.09 -0.10 3.21 0.00 0.00 0.00 176.54 179.60 3ek1 h ARG 240 N 0.64 0.89 -0.58 4.80 3.08 -0.97 -1.93 114.38 120.31 3ek1 h ARG 240 Ca 0.53 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3ek1 h ARG 240 Cb 0.83 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3ek1 h ARG 240 CO -0.40 0.98 0.33 -0.07 -1.07 0.00 0.00 179.97 179.74 3ek1 h LEU 241 N 0.74 0.72 -0.90 3.04 3.38 -0.97 -2.85 115.31 118.47 3ek1 h LEU 241 Ca 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3ek1 h LEU 241 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3ek1 h LEU 241 CO 0.04 0.59 -0.16 -0.07 0.09 0.00 0.00 178.44 178.93 3ek1 h LEU 242 N 0.79 0.62 -0.29 1.67 3.38 -0.78 -0.98 115.31 119.72 3ek1 h LEU 242 Ca 0.21 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3ek1 h LEU 242 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3ek1 h LEU 242 CO -0.04 0.80 0.01 -0.03 0.09 0.00 0.00 178.44 179.27 3ek1 h MET 243 N 0.57 0.50 -0.98 1.13 4.05 -1.34 -0.14 114.93 118.72 3ek1 h MET 243 Ca 0.09 -0.16 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3ek1 h MET 243 Cb 0.60 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 3ek1 h MET 243 CO 0.04 0.65 0.64 0.00 0.23 0.00 0.00 176.91 178.47 3ek1 h ALA 244 N 0.83 1.28 0.00 0.39 0.00 -1.22 -2.18 119.26 118.36 3ek1 h ALA 244 Ca 0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ek1 h ALA 244 Cb 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ek1 h ALA 244 CO 0.01 0.56 -0.20 1.96 0.00 0.00 0.00 179.25 181.58 3ek1 h GLN 245 N 1.27 0.00 0.00 0.00 4.20 -0.63 -2.08 115.11 117.87 3ek1 h GLN 245 Ca 0.38 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 3ek1 h GLN 245 Cb -0.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3ek1 h GLN 245 CO -0.11 0.20 -0.17 0.00 -0.67 0.00 0.00 178.83 178.08 3ek1 h ALA 247 N 1.83 0.86 0.00 0.00 0.00 -1.10 -2.10 119.26 118.75 3ek1 h ALA 247 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ek1 h ALA 247 Cb 1.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ek1 h ALA 247 CO 0.02 0.28 -0.01 -1.35 0.00 0.00 0.00 179.25 178.18 3ek1 h PRO 248 N 0.91 0.00 -0.26 0.00 0.11 -1.76 -1.54 132.00 129.47 3ek1 h PRO 248 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3ek1 h PRO 248 Cb -0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.01 3ek1 h PRO 248 CO -0.06 0.01 0.00 0.25 -0.21 0.00 0.00 178.00 178.00 3ek1 n THR 249 N -3.58 2.03 -4.14 -1.15 -2.24 -0.91 -5.00 114.28 99.28 3ek1 n THR 249 Ca -0.03 -1.74 -0.31 0.00 -2.27 0.00 0.00 64.05 59.70 3ek1 n THR 249 Cb 0.10 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.39 -1.81 -2.07 2.28 2.08 -0.58 -4.88 119.36 114.00 3ek1 n ILE 250 Ca 0.19 -0.28 -0.33 0.00 0.56 0.00 0.00 62.75 62.88 3ek1 n ILE 250 Cb 0.79 -1.92 0.01 0.00 -0.75 0.00 0.00 39.64 37.77 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 -6.86 3.24 0.40 0.38 1.02 -1.09 -4.99 119.74 111.84 3ek1 s LYS 251 Ca 0.33 1.36 -0.25 0.00 0.02 0.00 0.00 55.97 57.43 3ek1 s LYS 251 Cb -0.18 -2.01 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 3ek1 s LYS 251 CO 0.93 -0.90 1.12 1.03 -0.92 0.00 0.00 175.35 176.61 3ek1 s ARG 252 N -3.82 4.10 -0.10 1.68 1.81 -0.85 -4.93 118.95 116.85 3ek1 s ARG 252 Ca 0.67 1.70 -0.05 0.00 -1.72 0.00 0.00 55.73 56.32 3ek1 s ARG 252 Cb -0.19 -2.63 0.04 0.00 -0.45 0.00 0.00 34.95 31.73 3ek1 s ARG 252 CO 0.34 -0.24 0.23 -1.50 -0.68 0.00 0.00 175.30 173.45 3ek1 s ILE 253 N -1.51 -0.03 -0.05 1.52 2.07 -1.26 -0.64 121.20 121.29 3ek1 s ILE 253 Ca 0.57 0.13 0.06 0.00 -1.41 0.00 0.00 60.65 59.99 3ek1 s ILE 253 Cb -0.27 -0.35 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 3ek1 s ILE 253 CO 0.34 0.05 -0.22 -0.44 -1.91 0.00 0.00 174.94 172.76 3ek1 s SER 254 N 1.05 3.36 -0.01 4.50 0.01 -0.44 -4.73 113.70 117.43 3ek1 s SER 254 Ca -0.08 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.77 3ek1 s SER 254 Cb -0.09 -0.77 0.02 0.00 0.21 0.00 0.00 66.02 65.39 3ek1 s SER 254 CO -0.07 0.28 0.00 -0.76 0.41 0.00 0.00 173.24 173.11 3ek1 s LEU 255 N -0.37 1.51 -0.24 2.44 1.43 -0.25 -1.36 118.68 121.83 3ek1 s LEU 255 Ca 0.03 -0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3ek1 s LEU 255 Cb -0.12 -0.10 0.06 0.00 0.03 0.00 0.00 46.19 46.05 3ek1 s LEU 255 CO 0.02 -0.06 -0.06 -0.70 0.23 0.00 0.00 176.35 175.78 3ek1 s GLU 256 N 0.56 1.76 0.00 1.70 2.12 -0.37 -1.13 118.70 123.33 3ek1 s GLU 256 Ca -0.05 -1.09 0.00 0.00 0.36 0.00 0.00 54.97 54.19 3ek1 s GLU 256 Cb -0.08 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.65 3ek1 s GLU 256 CO -0.01 -0.60 0.00 1.28 -0.54 0.00 0.00 175.26 175.39 3ek1 n LEU 257 N 4.61 0.00 -4.57 2.70 4.77 -0.19 -1.73 117.00 122.58 3ek1 n LEU 257 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 3ek1 n LEU 257 Cb 0.43 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.74 3ek1 n LEU 257 CO 0.19 0.00 0.57 -0.83 -1.33 0.00 0.00 177.39 175.99 3ek1 s GLY 258 N 0.00 1.55 0.32 -0.72 0.00 -1.26 -4.83 107.32 102.38 3ek1 s GLY 258 Ca 0.00 -0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.41 3ek1 s GLY 258 CO 0.00 0.43 0.51 -0.32 0.00 0.00 0.00 173.10 173.72 3ek1 s GLY 259 N -2.95 1.06 -0.48 0.20 0.00 -1.26 -4.35 107.32 99.55 3ek1 s GLY 259 Ca 0.67 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 44.22 3ek1 s GLY 259 CO 0.61 -0.81 0.83 -2.01 0.00 0.00 0.00 173.10 171.72 3ek1 n ASN 260 N -1.07 -2.50 -4.68 1.64 5.15 -1.26 -4.75 115.26 107.78 3ek1 n ASN 260 Ca -0.01 -3.21 -0.42 0.00 -0.60 0.00 0.00 54.58 50.34 3ek1 n ASN 260 Cb 0.62 1.49 -0.03 0.00 -0.53 0.00 0.00 39.78 41.33 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 0.45 3.62 0.14 5.20 0.00 -1.26 -4.79 121.76 125.12 3ek1 s ALA 261 Ca 0.32 0.96 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 3ek1 s ALA 261 Cb 0.21 -3.64 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 3ek1 s ALA 261 CO -0.22 -1.04 0.71 -1.25 0.00 0.00 0.00 175.76 173.95 3ek1 s PRO 262 N 2.73 4.45 -0.20 0.00 0.04 -1.26 -0.65 135.00 140.11 3ek1 s PRO 262 Ca 0.67 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.75 3ek1 s PRO 262 Cb -0.33 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 30.99 3ek1 s PRO 262 CO 0.28 0.59 -0.17 0.12 0.04 0.00 0.00 177.00 177.87 3ek1 s PHE 263 N -1.14 2.83 -0.20 0.56 5.36 0.10 -0.84 117.98 124.64 3ek1 s PHE 263 Ca 0.34 -1.78 -0.02 0.00 -0.96 0.00 0.00 56.93 54.51 3ek1 s PHE 263 Cb -0.22 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 3ek1 s PHE 263 CO 0.24 -0.81 -0.11 0.42 -1.46 0.00 0.00 175.22 173.50 3ek1 s ILE 264 N 1.27 2.84 -0.32 3.12 1.01 0.28 0.53 121.20 129.94 3ek1 s ILE 264 Ca 0.01 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 3ek1 s ILE 264 Cb -0.15 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.09 3ek1 s ILE 264 CO -0.11 0.47 0.07 -0.69 0.00 0.00 0.00 174.94 174.68 3ek1 s VAL 265 N 1.40 3.59 0.60 2.92 1.01 0.10 -0.32 120.40 129.71 3ek1 s VAL 265 Ca 0.05 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 3ek1 s VAL 265 Cb -0.14 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3ek1 s VAL 265 CO -0.07 -0.08 0.94 -0.36 0.00 0.00 0.00 175.10 175.53 3ek1 s PHE 266 N 1.39 3.40 0.36 5.22 0.08 -1.00 -0.78 117.98 126.65 3ek1 s PHE 266 Ca -0.01 0.87 0.15 0.00 0.12 0.00 0.00 56.93 58.06 3ek1 s PHE 266 Cb -0.19 -2.71 1.05 0.00 -0.57 0.00 0.00 43.02 40.59 3ek1 s PHE 266 CO 0.01 -0.76 1.72 -0.44 -0.10 0.00 0.00 175.22 175.65 3ek1 h ASP 267 N -0.22 0.53 -0.91 1.36 3.32 -1.88 -2.07 116.42 116.56 3ek1 h ASP 267 Ca -0.45 0.13 -0.56 0.00 0.02 0.00 0.00 57.03 56.17 3ek1 h ASP 267 Cb 1.23 0.06 -0.29 0.00 0.22 0.00 0.00 39.33 40.55 3ek1 h ASP 267 CO 0.62 0.02 0.55 -0.90 -1.72 0.00 0.00 179.24 177.81 3ek1 n ASP 268 N -4.82 5.54 -4.89 6.45 5.75 -1.26 -4.92 116.55 118.40 3ek1 n ASP 268 Ca 0.28 -3.73 -0.29 0.00 -0.01 0.00 0.00 54.79 51.04 3ek1 n ASP 268 Cb 0.90 -0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 40.12 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 -3.57 3.45 -0.47 2.12 0.00 -0.78 -1.24 121.76 121.26 3ek1 s ALA 269 Ca 0.59 -0.36 -0.27 0.00 0.00 0.00 0.00 51.96 51.91 3ek1 s ALA 269 Cb 0.48 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.02 3ek1 s ALA 269 CO 0.04 0.02 1.86 0.34 0.00 0.00 0.00 175.76 178.02 3ek1 s ASP 270 N -3.29 5.50 0.18 0.00 -1.08 -1.26 -4.88 116.67 111.84 3ek1 s ASP 270 Ca 0.48 0.83 -0.07 0.00 -0.52 0.00 0.00 52.55 53.27 3ek1 s ASP 270 Cb -0.10 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 38.91 3ek1 s ASP 270 CO 0.33 -2.10 1.54 0.25 0.52 0.00 0.00 175.17 175.71 3ek1 h LEU 271 N 15.36 0.84 -1.06 -1.34 5.85 -1.94 -0.19 115.31 132.83 3ek1 h LEU 271 Ca -0.29 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 57.99 3ek1 h LEU 271 Cb 1.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 3ek1 h LEU 271 CO 1.13 1.11 -0.09 0.44 -0.34 0.00 0.00 178.44 180.69 3ek1 h ASP 272 N 0.67 0.54 -0.11 1.25 3.32 -2.00 -0.85 116.42 119.24 3ek1 h ASP 272 Ca 0.06 -0.13 -0.16 0.00 0.02 0.00 0.00 57.03 56.82 3ek1 h ASP 272 Cb 0.90 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3ek1 h ASP 272 CO 0.08 0.67 -0.50 0.00 -1.72 0.00 0.00 179.24 177.78 3ek1 h ALA 273 N 1.39 0.66 -0.82 3.45 0.00 -1.86 -2.36 119.26 119.72 3ek1 h ALA 273 Ca 0.10 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3ek1 h ALA 273 Cb 0.47 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 3ek1 h ALA 273 CO 0.03 0.68 0.53 0.00 0.00 0.00 0.00 179.25 180.48 3ek1 h ALA 274 N 0.91 1.06 -0.37 0.00 0.00 -0.33 0.68 119.26 121.21 3ek1 h ALA 274 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3ek1 h ALA 274 Cb 1.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3ek1 h ALA 274 CO 0.10 0.38 0.12 0.28 0.00 0.00 0.00 179.25 180.13 3ek1 h VAL 275 N 1.05 1.21 -0.31 0.00 2.07 -1.09 -0.68 116.25 118.49 3ek1 h VAL 275 Ca 0.32 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.18 3ek1 h VAL 275 Cb -0.04 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3ek1 h VAL 275 CO -0.10 0.24 0.18 0.44 0.02 0.00 0.00 177.57 178.35 3ek1 h ASP 276 N 0.45 0.30 -0.85 0.57 3.32 -0.90 -1.00 116.42 118.32 3ek1 h ASP 276 Ca 0.12 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3ek1 h ASP 276 Cb 0.24 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3ek1 h ASP 276 CO -0.00 0.22 0.55 1.23 -1.72 0.00 0.00 179.24 179.51 3ek1 h GLY 277 N 0.38 1.23 1.47 2.75 0.00 -0.74 -1.49 103.07 106.66 3ek1 h GLY 277 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3ek1 h GLY 277 CO -0.06 0.36 -0.14 0.00 0.00 0.00 0.00 176.54 176.70 3ek1 h ALA 278 N 1.35 1.10 -0.37 3.60 0.00 -0.80 -1.19 119.26 122.95 3ek1 h ALA 278 Ca 0.34 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3ek1 h ALA 278 Cb -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ek1 h ALA 278 CO -0.11 0.56 0.10 0.52 0.00 0.00 0.00 179.25 180.32 3ek1 h MET 279 N 0.57 0.58 -0.18 0.00 2.07 -0.24 -0.58 114.93 117.15 3ek1 h MET 279 Ca 0.10 -0.13 -0.09 0.00 -2.07 0.00 0.00 59.70 57.50 3ek1 h MET 279 Cb 0.57 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.22 3ek1 h MET 279 CO 0.04 0.61 -0.25 -0.39 1.07 0.00 0.00 176.91 177.99 3ek1 h VAL 280 N 0.44 1.34 0.00 -2.22 -1.51 -1.12 -1.18 116.25 112.01 3ek1 h VAL 280 Ca 0.12 -1.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.10 3ek1 h VAL 280 Cb 0.28 1.85 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 3ek1 h VAL 280 CO -0.00 0.44 -0.17 0.77 -1.23 0.00 0.00 177.57 177.38 3ek1 h SER 281 N 0.15 0.00 0.03 4.19 4.64 -1.16 -2.95 113.55 118.46 3ek1 h SER 281 Ca 0.02 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.08 3ek1 h SER 281 Cb 0.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 3ek1 h SER 281 CO 0.06 0.15 -1.44 0.50 -0.87 0.00 0.00 176.83 175.23 3ek1 h LYS 282 N 0.00 0.07 0.00 4.77 1.63 -1.15 -1.44 116.57 120.45 3ek1 h LYS 282 Ca -0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 3ek1 h LYS 282 Cb 1.11 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3ek1 h LYS 282 CO 0.02 1.06 -1.09 0.66 -3.45 0.00 0.00 179.45 176.65 3ek1 n TYR 283 N -4.19 0.10 -1.72 1.91 4.01 -0.45 -2.65 117.16 114.17 3ek1 n TYR 283 Ca -0.32 0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.03 3ek1 n TYR 283 Cb 0.78 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 39.53 3ek1 n TYR 283 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3ek1 n ARG 284 N -1.78 2.39 -2.44 -0.72 1.74 -1.11 -1.32 116.66 113.41 3ek1 n ARG 284 Ca 0.02 0.84 -0.19 0.00 -0.77 0.00 0.00 57.85 57.75 3ek1 n ARG 284 Cb 0.40 -2.54 -0.01 0.00 -1.02 0.00 0.00 32.46 29.30 3ek1 n ARG 284 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3ek1 n ASN 285 N 1.61 -5.58 -2.90 0.55 5.15 -1.26 -1.49 115.26 111.34 3ek1 n ASN 285 Ca 0.07 0.01 -0.19 0.00 -0.60 0.00 0.00 54.58 53.87 3ek1 n ASN 285 Cb 0.35 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 34.96 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 -2.12 -0.91 -1.09 5.20 0.00 -0.44 -1.33 120.51 119.82 3ek1 n ALA 286 Ca -0.22 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3ek1 n ALA 286 Cb 0.67 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 3ek1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ek1 n GLY 287 N -1.10 0.60 2.66 0.00 0.00 -0.56 -2.32 105.19 104.48 3ek1 n GLY 287 Ca -0.10 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.44 5.20 -3.72 1.61 6.02 -0.44 -2.71 117.38 120.90 3ek1 n GLN 288 Ca -0.03 -4.47 -0.13 0.00 -0.01 0.00 0.00 57.00 52.36 3ek1 n GLN 288 Cb 0.16 -2.50 -0.07 0.00 1.02 0.00 0.00 30.24 28.84 3ek1 n GLN 288 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3ek1 s THR 289 N -3.65 0.06 -0.70 5.09 -4.23 -1.26 -4.83 115.64 106.12 3ek1 s THR 289 Ca 0.40 -0.53 0.26 0.00 -1.18 0.00 0.00 61.69 60.64 3ek1 s THR 289 Cb 0.17 -0.84 0.28 0.00 1.34 0.00 0.00 72.50 73.46 3ek1 s THR 289 CO -0.10 -0.29 1.77 0.00 -0.54 0.00 0.00 174.62 175.46 3ek1 n VAL 291 N -2.26 0.04 -2.09 0.00 0.24 -1.26 -4.28 118.33 108.72 3ek1 n VAL 291 Ca 0.05 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.34 61.81 3ek1 n VAL 291 Cb 0.40 0.14 0.02 0.00 -1.47 0.00 0.00 33.84 32.93 3ek1 n VAL 291 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ek1 s ALA 293 N -1.59 3.64 -0.21 0.00 0.00 -0.54 -4.13 121.76 118.92 3ek1 s ALA 293 Ca 0.74 1.34 0.16 0.00 0.00 0.00 0.00 51.96 54.20 3ek1 s ALA 293 Cb -0.30 -3.82 -0.24 0.00 0.00 0.00 0.00 23.12 18.77 3ek1 s ALA 293 CO 0.33 -1.46 0.03 -1.71 0.00 0.00 0.00 175.76 172.95 3ek1 n ASN 294 N 6.98 0.29 -3.80 0.00 5.15 0.18 -4.72 115.26 119.33 3ek1 n ASN 294 Ca 0.19 -0.02 -0.26 0.00 -0.60 0.00 0.00 54.58 53.90 3ek1 n ASN 294 Cb 0.40 0.79 -0.17 0.00 -0.53 0.00 0.00 39.78 40.27 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 -2.50 0.87 -0.40 1.20 0.52 -0.88 -4.61 118.95 113.16 3ek1 s ARG 295 Ca -0.13 -0.18 -0.13 0.00 -0.52 0.00 0.00 55.73 54.77 3ek1 s ARG 295 Cb 0.06 -1.52 0.03 0.00 0.52 0.00 0.00 34.95 34.05 3ek1 s ARG 295 CO 0.80 -0.41 0.26 0.42 0.02 0.00 0.00 175.30 176.39 3ek1 s ILE 296 N 1.85 4.86 -0.25 1.52 1.01 -0.61 -0.73 121.20 128.85 3ek1 s ILE 296 Ca 0.03 -0.86 -0.13 0.00 0.00 0.00 0.00 60.65 59.69 3ek1 s ILE 296 Cb -0.14 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 3ek1 s ILE 296 CO -0.07 -0.32 0.28 -0.31 0.00 0.00 0.00 174.94 174.52 3ek1 s TYR 297 N 1.60 3.29 -0.10 3.97 2.02 0.19 -0.09 117.35 128.21 3ek1 s TYR 297 Ca 0.03 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.10 3ek1 s TYR 297 Cb -0.20 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 38.93 3ek1 s TYR 297 CO 0.08 -0.08 -0.19 0.08 -1.57 0.00 0.00 175.55 173.86 3ek1 s VAL 298 N 1.56 1.75 0.37 0.71 1.01 0.25 0.03 120.40 126.07 3ek1 s VAL 298 Ca 0.12 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 3ek1 s VAL 298 Cb -0.15 -1.55 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 3ek1 s VAL 298 CO 0.08 0.49 1.28 -1.58 0.00 0.00 0.00 175.10 175.37 3ek1 s GLN 299 N 0.63 4.18 0.36 2.72 0.74 0.04 -2.42 119.66 125.92 3ek1 s GLN 299 Ca -0.13 2.12 0.07 0.00 0.05 0.00 0.00 55.36 57.47 3ek1 s GLN 299 Cb -0.16 -2.91 0.77 0.00 1.10 0.00 0.00 33.01 31.81 3ek1 s GLN 299 CO 0.04 -0.30 1.93 -0.09 -0.55 0.00 0.00 175.29 176.32 3ek1 h ARG 300 N 3.04 0.71 0.00 1.67 2.43 -1.51 -1.53 114.38 119.19 3ek1 h ARG 300 Ca -0.49 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.64 3ek1 h ARG 300 Cb 1.23 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3ek1 h ARG 300 CO 0.64 0.47 0.00 0.78 -1.51 0.00 0.00 179.97 180.35 3ek1 h GLY 301 N 0.74 0.00 -0.37 2.80 0.00 -1.89 -2.56 103.07 101.78 3ek1 h GLY 301 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3ek1 h GLY 301 CO -0.13 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.74 3ek1 n VAL 302 N -3.03 0.59 0.16 4.60 0.24 -0.61 -4.82 118.33 115.46 3ek1 n VAL 302 Ca -0.01 -0.79 -0.14 0.00 -2.04 0.00 0.00 64.34 61.36 3ek1 n VAL 302 Cb 0.20 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.24 3ek1 n VAL 302 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 3ek1 h TYR 303 N 0.69 -0.90 -0.64 6.34 3.20 -1.07 0.81 116.97 125.40 3ek1 h TYR 303 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3ek1 h TYR 303 Cb 0.40 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 3ek1 h TYR 303 CO 0.05 -0.45 0.14 -0.44 -1.64 0.00 0.00 178.16 175.81 3ek1 h ASP 304 N -0.62 0.98 -0.38 -2.11 3.32 -1.88 -1.17 116.42 114.55 3ek1 h ASP 304 Ca 0.01 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 3ek1 h ASP 304 Cb 0.61 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3ek1 h ASP 304 CO -0.13 0.97 -0.29 0.50 -1.72 0.00 0.00 179.24 178.57 3ek1 h LYS 305 N 0.95 0.91 -0.16 3.56 3.64 -1.87 -1.85 116.57 121.75 3ek1 h LYS 305 Ca 0.20 -0.42 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3ek1 h LYS 305 Cb 0.38 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3ek1 h LYS 305 CO 0.01 1.07 0.09 0.35 -2.27 0.00 0.00 179.45 178.69 3ek1 h PHE 306 N 0.77 0.16 -0.71 1.91 3.57 -0.51 -1.51 116.94 120.62 3ek1 h PHE 306 Ca 0.09 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3ek1 h PHE 306 Cb 0.85 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.50 3ek1 h PHE 306 CO 0.05 0.10 0.44 0.00 -2.23 0.00 0.00 178.31 176.67 3ek1 h ALA 307 N 1.07 0.92 -0.22 2.41 0.00 -1.08 0.11 119.26 122.47 3ek1 h ALA 307 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3ek1 h ALA 307 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ek1 h ALA 307 CO -0.03 0.22 0.07 1.49 0.00 0.00 0.00 179.25 181.00 3ek1 h GLU 308 N 0.87 0.35 -0.94 0.00 4.81 -1.14 0.46 114.58 118.99 3ek1 h GLU 308 Ca 0.28 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 3ek1 h GLU 308 Cb 0.01 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 3ek1 h GLU 308 CO -0.11 0.44 0.62 0.87 -0.73 0.00 0.00 179.01 180.10 3ek1 h LYS 309 N 0.19 1.25 -0.15 1.92 1.57 -0.79 -1.54 116.57 119.03 3ek1 h LYS 309 Ca 0.07 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3ek1 h LYS 309 Cb 0.23 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3ek1 h LYS 309 CO -0.00 0.83 -0.06 1.25 -0.57 0.00 0.00 179.45 180.90 3ek1 h LEU 310 N 1.28 0.32 -1.04 2.94 5.85 -0.49 -2.77 115.31 121.40 3ek1 h LEU 310 Ca 0.34 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.81 3ek1 h LEU 310 Cb -0.13 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 40.72 3ek1 h LEU 310 CO -0.07 0.65 0.62 0.00 -0.34 0.00 0.00 178.44 179.30 3ek1 h ALA 311 N 0.68 1.60 -0.58 1.25 0.00 -0.71 -0.36 119.26 121.13 3ek1 h ALA 311 Ca 0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3ek1 h ALA 311 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3ek1 h ALA 311 CO 0.02 0.11 0.38 0.00 0.00 0.00 0.00 179.25 179.77 3ek1 h ALA 312 N 1.58 0.74 -0.41 0.00 0.00 -1.10 -1.97 119.26 118.10 3ek1 h ALA 312 Ca 0.52 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.25 3ek1 h ALA 312 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3ek1 h ALA 312 CO -0.29 0.17 -0.30 0.87 0.00 0.00 0.00 179.25 179.69 3ek1 h LYS 313 N 0.78 0.92 -0.47 0.00 1.79 -1.12 -3.20 116.57 115.27 3ek1 h LYS 313 Ca 0.21 -0.45 -0.08 0.00 -2.18 0.00 0.00 60.65 58.16 3ek1 h LYS 313 Cb -0.09 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.54 3ek1 h LYS 313 CO -0.05 1.10 -0.02 0.28 -1.08 0.00 0.00 179.45 179.69 3ek1 h VAL 314 N 0.74 1.24 -0.09 0.50 2.07 -0.94 -2.48 116.25 117.31 3ek1 h VAL 314 Ca 0.08 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.55 3ek1 h VAL 314 Cb 0.88 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3ek1 h VAL 314 CO 0.08 0.36 -0.04 0.50 0.02 0.00 0.00 177.57 178.49 3ek1 h LYS 315 N 0.73 0.12 0.00 1.57 3.64 -1.36 -1.83 116.57 119.44 3ek1 h LYS 315 Ca 0.14 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3ek1 h LYS 315 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3ek1 h LYS 315 CO 0.02 0.18 0.00 0.39 -2.27 0.00 0.00 179.45 177.77 3ek1 n GLU 316 N -4.42 0.20 -2.43 1.90 1.02 -0.93 -4.87 120.64 111.10 3ek1 n GLU 316 Ca -0.02 0.10 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3ek1 n GLU 316 Cb 0.16 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 3ek1 n GLU 316 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3ek1 s LEU 317 N -2.73 4.20 -0.19 -4.62 1.43 -0.69 -4.99 118.68 111.09 3ek1 s LEU 317 Ca 0.17 1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 3ek1 s LEU 317 Cb 0.14 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 3ek1 s LEU 317 CO 0.35 -0.73 0.62 -0.75 0.23 0.00 0.00 176.35 176.07 3ek1 s LYS 318 N 3.26 4.23 -0.17 1.70 2.20 -1.26 -4.97 119.74 124.72 3ek1 s LYS 318 Ca 0.55 0.60 -0.07 0.00 -0.36 0.00 0.00 55.97 56.69 3ek1 s LYS 318 Cb -0.22 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3ek1 s LYS 318 CO 0.16 -0.19 0.06 0.08 -0.36 0.00 0.00 175.35 175.10 3ek1 s VAL 319 N 1.75 4.80 -0.89 4.02 1.01 -1.26 -1.19 120.40 128.65 3ek1 s VAL 319 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3ek1 s VAL 319 Cb -0.16 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3ek1 s VAL 319 CO 0.11 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3ek1 n GLY 320 N 3.38 -0.82 3.73 4.51 0.00 -0.67 -4.99 105.19 110.33 3ek1 n GLY 320 Ca -0.17 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 3ek1 n GLY 320 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ek1 s ASN 321 N -4.00 6.68 0.66 1.61 3.84 -1.26 -4.08 114.94 118.38 3ek1 s ASN 321 Ca 0.00 2.59 0.42 0.00 0.21 0.00 0.00 52.86 56.08 3ek1 s ASN 321 Cb 0.00 -2.61 2.32 0.00 -0.55 0.00 0.00 41.25 40.41 3ek1 s ASN 321 CO 0.00 -0.71 2.34 1.23 -2.79 0.00 0.00 177.10 177.17 3ek1 h GLY 322 N 5.73 0.00 1.54 1.21 0.00 -1.85 -1.53 103.07 108.18 3ek1 h GLY 322 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ek1 h GLY 322 CO 0.82 0.00 -0.25 -1.30 0.00 0.00 0.00 176.54 175.81 3ek1 n THR 323 N -3.20 0.10 -2.67 4.70 -2.24 -1.26 -1.02 114.28 108.68 3ek1 n THR 323 Ca -0.03 -0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3ek1 n THR 323 Cb 0.08 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 3ek1 n THR 323 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3ek1 s GLU 324 N -3.03 4.46 0.42 -0.78 2.56 -0.58 -4.96 118.70 116.78 3ek1 s GLU 324 Ca 0.12 1.43 -0.26 0.00 0.00 0.00 0.00 54.97 56.26 3ek1 s GLU 324 Cb 0.17 -3.52 -0.10 0.00 2.00 0.00 0.00 34.13 32.69 3ek1 s GLU 324 CO 0.62 -0.25 1.28 -2.30 -0.56 0.00 0.00 175.26 174.05 3ek1 n PRO 325 N 4.69 1.96 0.00 4.30 -0.02 -1.26 -2.27 135.00 142.40 3ek1 n PRO 325 Ca 0.08 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3ek1 n PRO 325 Cb 0.49 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.80 3.03 3.71 -1.23 0.00 -1.26 -5.02 105.19 105.21 3ek1 n GLY 326 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3ek1 n GLY 326 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ek1 s VAL 327 N -1.56 2.93 -0.12 1.61 1.01 -0.96 -4.59 120.40 118.71 3ek1 s VAL 327 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.58 3ek1 s VAL 327 Cb 0.00 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.00 3ek1 s VAL 327 CO 0.00 0.03 0.25 1.33 0.00 0.00 0.00 175.10 176.71 3ek1 n VAL 328 N 4.22 0.00 -3.76 2.92 0.24 -0.33 -4.82 118.33 116.79 3ek1 n VAL 328 Ca 0.14 -0.48 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 3ek1 n VAL 328 Cb 0.40 1.01 -0.17 0.00 -1.47 0.00 0.00 33.84 33.61 3ek1 n VAL 328 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ek1 s ILE 329 N -0.75 0.47 0.00 1.34 -1.09 -0.93 -4.83 121.20 115.42 3ek1 s ILE 329 Ca 0.01 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3ek1 s ILE 329 Cb 0.01 -0.78 0.00 0.00 -1.58 0.00 0.00 42.46 40.11 3ek1 s ILE 329 CO 0.05 0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.42 3ek1 n GLY 330 N 5.09 0.28 3.86 6.18 0.00 -1.26 -1.67 105.19 117.68 3ek1 n GLY 330 Ca -0.08 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.18 2.96 0.74 1.61 0.04 -1.26 -4.72 135.00 133.18 3ek1 s PRO 331 Ca 0.00 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 61.54 3ek1 s PRO 331 Cb 0.00 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.56 3ek1 s PRO 331 CO 0.00 -1.00 1.08 -1.64 0.04 0.00 0.00 177.00 175.48 3ek1 s MET 332 N -5.25 2.54 0.23 4.56 -1.94 -0.05 -4.78 119.30 114.62 3ek1 s MET 332 Ca 0.58 0.82 -0.02 0.00 -1.71 0.00 0.00 55.69 55.35 3ek1 s MET 332 Cb -0.12 -1.96 0.24 0.00 2.01 0.00 0.00 34.83 35.01 3ek1 s MET 332 CO 0.53 -1.34 1.64 0.97 -0.01 0.00 0.00 175.02 176.80 3ek1 h ILE 333 N -0.89 1.28 -3.34 2.53 6.09 -1.87 -3.46 117.51 117.84 3ek1 h ILE 333 Ca -0.45 -1.39 -0.01 0.00 -1.37 0.00 0.00 64.86 61.64 3ek1 h ILE 333 Cb 1.24 1.34 -0.09 0.00 0.47 0.00 0.00 36.82 39.78 3ek1 h ILE 333 CO 0.58 0.45 0.03 -1.83 -3.07 0.00 0.00 178.15 174.31 3ek1 s GLU 334 N -4.48 1.51 0.27 2.19 -1.05 -1.26 -4.88 118.70 111.00 3ek1 s GLU 334 Ca -0.08 -1.00 -0.02 0.00 -0.15 0.00 0.00 54.97 53.72 3ek1 s GLU 334 Cb 0.13 0.52 0.37 0.00 -0.44 0.00 0.00 34.13 34.71 3ek1 s GLU 334 CO 0.82 -0.65 1.80 1.49 0.95 0.00 0.00 175.26 179.67 3ek1 h GLU 335 N 2.18 0.81 0.00 -4.83 4.81 -1.96 -2.60 114.58 112.99 3ek1 h GLU 335 Ca -0.26 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 58.72 3ek1 h GLU 335 Cb 1.26 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3ek1 h GLU 335 CO 0.34 0.77 -0.32 1.57 -0.73 0.00 0.00 179.01 180.64 3ek1 h LYS 336 N 0.78 0.00 -0.82 1.92 2.10 -2.00 -1.75 116.57 116.79 3ek1 h LYS 336 Ca 0.16 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.82 3ek1 h LYS 336 Cb 0.36 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.65 3ek1 h LYS 336 CO 0.01 0.32 0.54 0.00 -2.00 0.00 0.00 179.45 178.32 3ek1 h ALA 337 N 1.68 1.04 -0.57 0.07 0.00 -1.88 -2.23 119.26 117.38 3ek1 h ALA 337 Ca -0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3ek1 h ALA 337 Cb 0.57 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3ek1 h ALA 337 CO 0.04 0.46 0.07 0.82 0.00 0.00 0.00 179.25 180.64 3ek1 h ILE 338 N 1.12 1.25 -0.68 0.00 2.04 -1.31 -2.76 117.51 117.18 3ek1 h ILE 338 Ca 0.30 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 3ek1 h ILE 338 Cb -0.12 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 3ek1 h ILE 338 CO -0.06 0.36 0.30 0.74 0.00 0.00 0.00 178.15 179.49 3ek1 h THR 339 N 0.87 1.23 -0.42 -0.27 2.02 -1.04 -1.88 112.91 113.41 3ek1 h THR 339 Ca 0.17 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 3ek1 h THR 339 Cb 0.42 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3ek1 h THR 339 CO 0.01 0.28 0.25 0.50 0.37 0.00 0.00 175.52 176.93 3ek1 h LYS 340 N 0.97 0.58 -0.27 6.66 3.64 -1.19 0.05 116.57 127.01 3ek1 h LYS 340 Ca 0.23 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3ek1 h LYS 340 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3ek1 h LYS 340 CO -0.03 0.44 0.15 0.28 -2.27 0.00 0.00 179.45 178.02 3ek1 h VAL 341 N 0.55 1.12 -0.54 2.00 2.07 -1.20 -1.08 116.25 119.17 3ek1 h VAL 341 Ca 0.15 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3ek1 h VAL 341 Cb 0.02 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3ek1 h VAL 341 CO -0.03 0.12 0.28 0.11 0.02 0.00 0.00 177.57 178.08 3ek1 h LYS 342 N 0.32 0.75 -0.72 1.57 1.57 -1.26 -1.29 116.57 117.50 3ek1 h LYS 342 Ca 0.09 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3ek1 h LYS 342 Cb 0.07 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3ek1 h LYS 342 CO -0.02 0.56 0.37 0.00 -0.57 0.00 0.00 179.45 179.80 3ek1 h ALA 343 N 1.56 0.93 -0.32 3.86 0.00 0.20 -1.17 119.26 124.32 3ek1 h ALA 343 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ek1 h ALA 343 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ek1 h ALA 343 CO -0.03 0.46 -0.40 0.45 0.00 0.00 0.00 179.25 179.74 3ek1 h HIS 344 N 1.00 0.91 0.02 0.00 3.86 -0.51 -0.16 115.15 120.27 3ek1 h HIS 344 Ca 0.25 -0.27 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3ek1 h HIS 344 Cb 0.07 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3ek1 h HIS 344 CO 0.00 1.03 -0.01 0.82 0.86 0.00 0.00 177.93 180.64 3ek1 h ILE 345 N 0.62 1.14 -0.46 2.45 2.04 -1.15 -2.19 117.51 119.96 3ek1 h ILE 345 Ca 0.05 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.32 3ek1 h ILE 345 Cb 0.95 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3ek1 h ILE 345 CO 0.09 0.13 -0.12 -0.33 0.00 0.00 0.00 178.15 177.91 3ek1 h GLU 346 N -0.24 0.90 -0.42 2.37 4.39 -1.03 0.34 114.58 120.88 3ek1 h GLU 346 Ca -0.00 -0.35 0.05 0.00 0.34 0.00 0.00 59.36 59.40 3ek1 h GLU 346 Cb 0.23 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.78 3ek1 h GLU 346 CO 0.00 0.99 0.15 0.22 -1.16 0.00 0.00 179.01 179.22 3ek1 h ASP 347 N 0.74 0.15 -0.17 1.42 3.58 -1.08 0.32 116.42 121.38 3ek1 h ASP 347 Ca 0.12 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 3ek1 h ASP 347 Cb 0.67 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.75 3ek1 h ASP 347 CO 0.05 0.12 -0.02 0.00 -2.88 0.00 0.00 179.24 176.51 3ek1 h ALA 348 N 1.27 0.23 -0.66 -0.78 0.00 -0.84 -1.55 119.26 116.93 3ek1 h ALA 348 Ca 0.19 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3ek1 h ALA 348 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3ek1 h ALA 348 CO -0.20 -0.03 0.12 0.28 0.00 0.00 0.00 179.25 179.42 3ek1 h VAL 349 N 0.04 1.26 0.00 0.00 2.07 -0.82 0.33 116.25 119.14 3ek1 h VAL 349 Ca 0.05 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3ek1 h VAL 349 Cb 0.43 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 3ek1 h VAL 349 CO 0.01 0.38 -0.09 0.77 0.02 0.00 0.00 177.57 178.67 3ek1 h SER 350 N 1.01 0.00 -0.56 0.57 4.64 0.02 -0.68 113.55 118.55 3ek1 h SER 350 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3ek1 h SER 350 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3ek1 h SER 350 CO 0.01 0.09 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 3ek1 n LYS 351 N -4.05 3.14 0.00 4.77 5.02 -0.62 -4.92 118.16 121.50 3ek1 n LYS 351 Ca -0.03 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.89 3ek1 n LYS 351 Cb 0.17 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 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 1.11 0.56 3.71 0.72 0.00 -0.26 -5.01 105.19 106.01 3ek1 n GLY 352 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 1.49 -0.09 4.61 0.00 0.02 -4.90 121.76 120.88 3ek1 s ALA 353 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3ek1 s ALA 353 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3ek1 s ALA 353 CO 0.00 -2.41 -0.21 0.15 0.00 0.00 0.00 175.76 173.29 3ek1 s LYS 354 N -4.91 2.65 -0.54 0.00 -0.14 -0.38 -4.19 119.74 112.22 3ek1 s LYS 354 Ca 0.64 -0.76 -0.20 0.00 -1.36 0.00 0.00 55.97 54.28 3ek1 s LYS 354 Cb -0.18 -2.05 0.06 0.00 -1.68 0.00 0.00 37.83 33.98 3ek1 s LYS 354 CO 0.57 0.16 0.73 -1.17 -0.76 0.00 0.00 175.35 174.88 3ek1 s LEU 355 N 0.38 4.81 0.12 3.17 2.96 -1.26 -1.30 118.68 127.56 3ek1 s LEU 355 Ca -0.16 -0.89 0.23 0.00 -0.22 0.00 0.00 54.13 53.09 3ek1 s LEU 355 Cb -0.17 -2.49 0.18 0.00 0.50 0.00 0.00 46.19 44.21 3ek1 s LEU 355 CO 0.07 -1.04 1.17 2.30 -1.32 0.00 0.00 176.35 177.53 3ek1 n ILE 356 N 5.75 0.37 -3.58 6.68 -5.35 -0.23 -4.88 119.36 118.11 3ek1 n ILE 356 Ca -0.05 -0.33 -0.15 0.00 -0.27 0.00 0.00 62.75 61.94 3ek1 n ILE 356 Cb 0.45 -0.09 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 3ek1 n ILE 356 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3ek1 s THR 357 N -3.23 0.00 0.00 7.28 -1.32 -1.24 -4.98 115.64 112.15 3ek1 s THR 357 Ca 0.04 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 3ek1 s THR 357 Cb 0.13 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.12 3ek1 s THR 357 CO 0.76 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 3ek1 n GLY 358 N 1.82 2.00 2.33 6.08 0.00 -1.26 -2.03 105.19 114.13 3ek1 n GLY 358 Ca -0.16 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.23 3ek1 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 359 N 0.00 0.12 3.23 -0.02 0.00 -0.29 -4.84 105.19 103.38 3ek1 n GLY 359 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 -5.07 1.29 0.18 1.61 0.00 -1.25 -4.93 119.74 111.58 3ek1 s LYS 360 Ca 0.14 -0.90 -0.33 0.00 0.00 0.00 0.00 55.97 54.88 3ek1 s LYS 360 Cb -0.06 -1.39 -0.13 0.00 0.00 0.00 0.00 37.83 36.26 3ek1 s LYS 360 CO 0.17 0.35 1.69 0.39 0.00 0.00 0.00 175.35 177.96 3ek1 n GLU 361 N 1.86 2.57 -0.05 1.78 1.02 -1.26 -0.59 120.64 125.96 3ek1 n GLU 361 Ca -0.17 0.93 0.09 0.00 -0.02 0.00 0.00 57.16 57.98 3ek1 n GLU 361 Cb 0.54 -2.75 0.10 0.00 -0.02 0.00 0.00 31.44 29.31 3ek1 n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3ek1 n LEU 362 N 3.99 2.68 0.00 -4.62 4.77 -0.60 -4.91 117.00 118.30 3ek1 n LEU 362 Ca 0.17 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3ek1 n LEU 362 Cb 0.33 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3ek1 n LEU 362 CO 0.64 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 3ek1 n GLY 363 N 1.04 2.98 7.00 -0.72 0.00 -1.25 -4.93 105.19 109.31 3ek1 n GLY 363 Ca 0.12 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.61 3ek1 n GLY 363 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ek1 n GLY 364 N 0.85 3.41 1.27 -0.02 0.00 -1.26 -1.80 105.19 107.63 3ek1 n GLY 364 Ca 0.00 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 3.71 -4.84 0.99 4.77 -1.26 -4.94 117.00 115.44 3ek1 n LEU 365 Ca 0.00 -1.87 -0.38 0.00 -0.03 0.00 0.00 56.01 53.73 3ek1 n LEU 365 Cb 0.00 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.55 3ek1 n LEU 365 CO 0.00 0.70 0.08 -0.36 -1.33 0.00 0.00 177.39 176.48 3ek1 s PHE 366 N -1.64 3.72 -0.05 -1.77 0.08 -0.74 -0.87 117.98 116.71 3ek1 s PHE 366 Ca 0.41 0.96 -0.02 0.00 0.12 0.00 0.00 56.93 58.39 3ek1 s PHE 366 Cb 0.25 -2.27 0.03 0.00 -0.57 0.00 0.00 43.02 40.46 3ek1 s PHE 366 CO 0.22 0.65 0.10 0.12 -0.10 0.00 0.00 175.22 176.21 3ek1 s PHE 367 N -1.06 -0.10 -0.12 0.36 5.36 -1.26 -1.56 117.98 119.59 3ek1 s PHE 367 Ca 0.23 0.33 -0.29 0.00 -0.96 0.00 0.00 56.93 56.24 3ek1 s PHE 367 Cb -0.16 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.42 3ek1 s PHE 367 CO 0.13 -0.11 0.99 -2.00 -1.46 0.00 0.00 175.22 172.77 3ek1 s GLU 368 N 0.82 4.40 0.32 10.12 2.12 0.24 -4.94 118.70 131.77 3ek1 s GLU 368 Ca -0.06 1.35 -0.27 0.00 0.36 0.00 0.00 54.97 56.35 3ek1 s GLU 368 Cb -0.09 -3.55 -0.13 0.00 0.26 0.00 0.00 34.13 30.62 3ek1 s GLU 368 CO -0.03 -0.34 0.95 -2.30 -0.54 0.00 0.00 175.26 172.99 3ek1 n PRO 369 N 5.15 1.23 -4.09 4.30 -0.02 -1.26 -1.14 135.00 139.17 3ek1 n PRO 369 Ca 0.09 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.91 3ek1 n PRO 369 Cb 0.48 -1.82 -0.09 0.00 -0.02 0.00 0.00 33.50 32.05 3ek1 n PRO 369 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ek1 s GLY 370 N -0.64 0.71 -0.02 -1.23 0.00 -0.23 -3.33 107.32 102.58 3ek1 s GLY 370 Ca 0.60 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 44.06 3ek1 s GLY 370 CO 0.59 -1.26 -0.05 -0.42 0.00 0.00 0.00 173.10 171.96 3ek1 s ILE 371 N -3.99 0.48 -0.09 0.90 1.01 -0.86 -1.61 121.20 117.04 3ek1 s ILE 371 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3ek1 s ILE 371 Cb 0.07 -0.45 -0.02 0.00 0.01 0.00 0.00 42.46 42.07 3ek1 s ILE 371 CO -0.03 0.17 -0.15 -0.76 0.00 0.00 0.00 174.94 174.17 3ek1 s LEU 372 N 0.29 2.67 0.33 2.97 1.43 -0.23 -1.07 118.68 125.07 3ek1 s LEU 372 Ca -0.03 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3ek1 s LEU 372 Cb -0.07 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.55 3ek1 s LEU 372 CO -0.00 0.26 0.18 0.42 0.23 0.00 0.00 176.35 177.43 3ek1 s THR 373 N -0.20 3.28 -1.05 5.49 -4.23 -0.42 -1.33 115.64 117.18 3ek1 s THR 373 Ca -0.00 -1.61 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 3ek1 s THR 373 Cb -0.13 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3ek1 s THR 373 CO 0.03 -0.20 0.29 0.61 -0.54 0.00 0.00 174.62 174.80 3ek1 n GLY 374 N -1.19 -0.12 3.75 3.99 0.00 -1.22 -1.25 105.19 109.14 3ek1 n GLY 374 Ca -0.03 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.87 4.39 0.32 1.61 1.01 -1.10 -3.88 120.40 119.88 3ek1 s VAL 375 Ca 0.14 1.86 0.03 0.00 0.00 0.00 0.00 61.98 64.01 3ek1 s VAL 375 Cb -0.06 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 3ek1 s VAL 375 CO 0.18 0.44 0.09 0.42 0.00 0.00 0.00 175.10 176.22 3ek1 s THR 376 N -0.70 0.87 -0.96 3.92 -4.23 -1.26 -4.23 115.64 109.04 3ek1 s THR 376 Ca 0.40 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.11 3ek1 s THR 376 Cb -0.23 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.11 3ek1 s THR 376 CO 0.28 0.00 1.64 -1.54 -0.54 0.00 0.00 174.62 174.45 3ek1 n SER 377 N -0.72 0.07 -0.32 3.99 3.41 -1.26 -1.51 113.62 117.28 3ek1 n SER 377 Ca -0.02 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 3ek1 n SER 377 Cb 0.66 -0.53 0.59 0.00 -0.26 0.00 0.00 64.21 64.68 3ek1 n SER 377 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ek1 n ASP 378 N -1.57 0.99 -4.86 4.04 5.75 -1.26 -4.80 116.55 114.83 3ek1 n ASP 378 Ca 0.05 -1.42 -0.33 0.00 -0.01 0.00 0.00 54.79 53.07 3ek1 n ASP 378 Cb 0.24 -0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.25 3ek1 n ASP 378 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3ek1 s MET 379 N -1.95 3.87 0.31 0.11 -1.94 -0.57 -4.96 119.30 114.17 3ek1 s MET 379 Ca 0.38 0.36 0.08 0.00 -1.71 0.00 0.00 55.69 54.79 3ek1 s MET 379 Cb 0.19 -2.76 0.89 0.00 2.01 0.00 0.00 34.83 35.16 3ek1 s MET 379 CO 0.31 0.38 1.64 -0.07 -0.01 0.00 0.00 175.02 177.27 3ek1 h LEU 380 N 2.95 0.16 -1.92 -0.03 4.07 -1.90 0.53 115.31 119.17 3ek1 h LEU 380 Ca -0.48 0.21 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 3ek1 h LEU 380 Cb 1.18 0.24 -0.00 0.00 1.08 0.00 0.00 40.66 43.16 3ek1 h LEU 380 CO 0.68 -0.19 -0.12 1.62 -1.08 0.00 0.00 178.44 179.35 3ek1 h VAL 381 N 0.22 0.68 -0.47 1.22 3.04 -1.87 0.54 116.25 119.61 3ek1 h VAL 381 Ca 0.64 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.82 3ek1 h VAL 381 Cb 1.40 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 3ek1 h VAL 381 CO -0.67 0.12 0.20 0.00 -1.01 0.00 0.00 177.57 176.21 3ek1 h ALA 382 N 1.88 1.48 0.00 3.17 0.00 -1.15 -3.29 119.26 121.35 3ek1 h ALA 382 Ca -0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 3ek1 h ALA 382 Cb 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3ek1 h ALA 382 CO 0.02 0.40 -2.35 1.63 0.00 0.00 0.00 179.25 178.95 3ek1 n LYS 383 N -4.37 0.78 -4.49 0.00 4.76 0.33 -5.01 118.16 110.16 3ek1 n LYS 383 Ca 0.04 0.01 -0.31 0.00 -2.87 0.00 0.00 58.31 55.18 3ek1 n LYS 383 Cb 0.14 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 31.71 3ek1 n LYS 383 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ek1 s GLU 384 N -2.48 2.16 -0.10 1.97 2.02 0.16 -5.03 118.70 117.40 3ek1 s GLU 384 Ca -0.13 -0.95 -0.30 0.00 0.02 0.00 0.00 54.97 53.62 3ek1 s GLU 384 Cb 0.06 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 3ek1 s GLU 384 CO 0.77 0.54 1.31 -1.21 0.02 0.00 0.00 175.26 176.70 3ek1 s GLU 385 N -1.66 4.26 0.17 1.61 2.02 -1.26 -4.48 118.70 119.36 3ek1 s GLU 385 Ca 0.17 1.77 -0.12 0.00 0.02 0.00 0.00 54.97 56.81 3ek1 s GLU 385 Cb -0.11 -3.71 0.08 0.00 0.10 0.00 0.00 34.13 30.48 3ek1 s GLU 385 CO 0.08 -0.64 1.74 1.15 0.02 0.00 0.00 175.26 177.61 3ek1 h THR 386 N 5.31 1.22 -6.45 3.63 2.02 -1.90 -3.48 112.91 113.27 3ek1 h THR 386 Ca -0.31 -0.68 -0.50 0.00 0.77 0.00 0.00 66.41 65.69 3ek1 h THR 386 Cb 1.14 0.56 -0.08 0.00 -1.74 0.00 0.00 68.15 68.02 3ek1 h THR 386 CO 0.94 0.27 -0.81 0.49 0.37 0.00 0.00 175.52 176.77 3ek1 n PHE 387 N -4.48 -1.96 -3.80 3.16 3.72 -1.26 -4.54 117.46 108.29 3ek1 n PHE 387 Ca 0.04 0.84 -0.09 0.00 -0.05 0.00 0.00 57.45 58.19 3ek1 n PHE 387 Cb 0.15 -3.68 0.03 0.00 -0.94 0.00 0.00 39.48 35.04 3ek1 n PHE 387 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ek1 n GLY 388 N -1.65 0.95 2.89 1.37 0.00 -1.10 -4.36 105.19 103.29 3ek1 n GLY 388 Ca -0.06 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 3ek1 n GLY 388 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ek1 n PRO 389 N -0.55 3.82 -3.70 1.61 -0.04 -0.98 -4.39 135.00 130.77 3ek1 n PRO 389 Ca -0.09 -3.75 -0.21 0.00 -0.04 0.00 0.00 63.50 59.42 3ek1 n PRO 389 Cb 0.60 -2.83 -0.18 0.00 -0.04 0.00 0.00 33.50 31.05 3ek1 n PRO 389 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ek1 s LEU 390 N -0.75 0.27 -0.43 1.53 2.96 -1.26 -1.07 118.68 119.93 3ek1 s LEU 390 Ca 0.38 0.03 -0.13 0.00 -0.22 0.00 0.00 54.13 54.19 3ek1 s LEU 390 Cb 0.09 -0.22 0.05 0.00 0.50 0.00 0.00 46.19 46.61 3ek1 s LEU 390 CO 0.03 -0.23 0.31 0.00 -1.32 0.00 0.00 176.35 175.13 3ek1 s ALA 391 N 2.11 3.43 -0.27 5.97 0.00 -0.63 -4.99 121.76 127.38 3ek1 s ALA 391 Ca 0.05 -1.96 -0.14 0.00 0.00 0.00 0.00 51.96 49.91 3ek1 s ALA 391 Cb -0.12 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3ek1 s ALA 391 CO -0.04 -1.59 0.33 -1.25 0.00 0.00 0.00 175.76 173.21 3ek1 s PRO 392 N 1.59 4.00 -0.34 0.00 0.05 -1.26 -1.06 135.00 137.98 3ek1 s PRO 392 Ca 0.04 -0.04 -0.10 0.00 0.05 0.00 0.00 61.00 60.94 3ek1 s PRO 392 Cb -0.22 -3.66 0.01 0.00 0.05 0.00 0.00 34.50 30.68 3ek1 s PRO 392 CO 0.06 -0.25 0.17 -0.51 0.05 0.00 0.00 177.00 176.53 3ek1 s LEU 393 N 1.99 4.36 -0.14 -3.56 1.43 -0.44 -1.57 118.68 120.76 3ek1 s LEU 393 Ca 0.13 -0.72 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 3ek1 s LEU 393 Cb -0.16 -2.01 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 3ek1 s LEU 393 CO 0.10 -0.27 0.21 -0.36 0.23 0.00 0.00 176.35 176.26 3ek1 s PHE 394 N 1.59 3.53 0.15 0.29 0.08 0.86 -2.72 117.98 121.76 3ek1 s PHE 394 Ca 0.04 0.55 -0.20 0.00 0.12 0.00 0.00 56.93 57.44 3ek1 s PHE 394 Cb -0.18 -2.14 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 3ek1 s PHE 394 CO 0.06 0.49 0.66 0.00 -0.10 0.00 0.00 175.22 176.33 3ek1 s ALA 395 N -0.30 3.50 0.19 5.36 0.00 -1.26 -0.58 121.76 128.67 3ek1 s ALA 395 Ca 0.15 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.24 3ek1 s ALA 395 Cb -0.13 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 3ek1 s ALA 395 CO 0.04 0.36 0.06 -0.59 0.00 0.00 0.00 175.76 175.62 3ek1 s PHE 396 N -1.28 1.21 -0.07 0.00 -0.12 -1.01 -4.88 117.98 111.82 3ek1 s PHE 396 Ca 0.36 -1.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.08 3ek1 s PHE 396 Cb -0.19 -0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 41.47 3ek1 s PHE 396 CO 0.21 -0.38 -0.06 -0.25 -0.05 0.00 0.00 175.22 174.70 3ek1 n ASP 397 N -0.27 3.45 -4.48 1.98 8.00 -1.26 -1.27 116.55 122.70 3ek1 n ASP 397 Ca -0.03 -0.04 -0.24 0.00 0.71 0.00 0.00 54.79 55.19 3ek1 n ASP 397 Cb 0.65 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.59 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 -2.15 2.54 0.10 -3.53 -4.23 -1.26 -4.85 115.64 102.27 3ek1 s THR 398 Ca -0.09 -2.33 -0.17 0.00 -1.18 0.00 0.00 61.69 57.92 3ek1 s THR 398 Cb 0.02 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 3ek1 s THR 398 CO 0.17 -0.36 1.54 -0.08 -0.54 0.00 0.00 174.62 175.35 3ek1 h GLU 399 N 2.35 0.56 -0.98 3.99 4.81 -1.99 -0.89 114.58 122.44 3ek1 h GLU 399 Ca -0.41 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 58.65 3ek1 h GLU 399 Cb 1.25 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 3ek1 h GLU 399 CO 0.59 0.69 0.65 1.05 -0.73 0.00 0.00 179.01 181.26 3ek1 h GLU 400 N 0.36 1.28 0.06 1.92 4.11 -2.00 -1.03 114.58 119.28 3ek1 h GLU 400 Ca 0.09 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 3ek1 h GLU 400 Cb 0.44 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ek1 h GLU 400 CO 0.02 0.85 -0.03 1.49 0.07 0.00 0.00 179.01 181.41 3ek1 h GLU 401 N 1.32 -0.07 -0.19 1.06 4.81 -1.93 -1.51 114.58 118.07 3ek1 h GLU 401 Ca 0.36 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 3ek1 h GLU 401 Cb -0.15 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3ek1 h GLU 401 CO -0.08 0.04 -0.45 -0.24 -0.73 0.00 0.00 179.01 177.55 3ek1 h VAL 402 N -0.17 1.31 -0.45 0.32 3.04 -0.90 0.32 116.25 119.72 3ek1 h VAL 402 Ca -0.01 -1.63 -0.01 0.00 -1.01 0.00 0.00 66.70 64.03 3ek1 h VAL 402 Cb 0.15 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3ek1 h VAL 402 CO 0.01 0.50 0.23 0.40 -1.01 0.00 0.00 177.57 177.71 3ek1 h ILE 403 N 0.38 1.17 -0.63 3.17 2.04 -1.14 0.14 117.51 122.64 3ek1 h ILE 403 Ca 0.03 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 3ek1 h ILE 403 Cb 0.93 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3ek1 h ILE 403 CO 0.08 0.19 0.11 0.00 0.00 0.00 0.00 178.15 178.53 3ek1 h ALA 404 N 1.08 0.83 -0.38 1.87 0.00 -0.88 -0.94 119.26 120.84 3ek1 h ALA 404 Ca 0.16 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3ek1 h ALA 404 Cb 0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ek1 h ALA 404 CO -0.02 0.58 -0.04 1.96 0.00 0.00 0.00 179.25 181.74 3ek1 h GLN 405 N 0.94 0.70 -0.76 0.00 4.20 -0.80 -2.12 115.11 117.27 3ek1 h GLN 405 Ca 0.19 -0.24 0.12 0.00 0.06 0.00 0.00 58.65 58.78 3ek1 h GLN 405 Cb 0.42 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.06 3ek1 h GLN 405 CO 0.01 0.82 0.35 0.00 -0.67 0.00 0.00 178.83 179.34 3ek1 h ALA 406 N 0.86 1.07 -0.01 3.87 0.00 -0.53 -2.79 119.26 121.73 3ek1 h ALA 406 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ek1 h ALA 406 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3ek1 h ALA 406 CO 0.03 -0.13 -0.11 0.09 0.00 0.00 0.00 179.25 179.13 3ek1 n ASN 407 N -4.93 0.68 -3.74 0.00 3.02 -0.37 -4.55 115.26 105.37 3ek1 n ASN 407 Ca 0.14 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 3ek1 n ASN 407 Cb 0.37 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.75 5.26 -3.62 6.41 2.03 -0.82 -4.83 116.55 120.24 3ek1 n ASP 408 Ca 0.15 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.32 3ek1 n ASP 408 Cb 0.29 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.10 3ek1 n ASP 408 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3ek1 s THR 409 N 1.19 0.04 -0.96 5.18 -1.32 -1.26 -5.01 115.64 113.49 3ek1 s THR 409 Ca 0.45 -0.29 0.18 0.00 -1.21 0.00 0.00 61.69 60.82 3ek1 s THR 409 Cb 0.12 -0.91 0.15 0.00 -1.51 0.00 0.00 72.50 70.36 3ek1 s THR 409 CO -0.04 -0.16 1.58 2.30 -2.21 0.00 0.00 174.62 176.09 3ek1 n ILE 410 N 0.68 0.79 -3.07 5.08 -5.35 -1.26 -4.88 119.36 111.34 3ek1 n ILE 410 Ca -0.19 0.19 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 3ek1 n ILE 410 Cb 0.59 -0.90 0.05 0.00 -1.74 0.00 0.00 39.64 37.63 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 -3.02 1.62 0.00 4.28 0.08 -1.26 -1.40 117.98 118.28 3ek1 s PHE 411 Ca 0.08 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.45 3ek1 s PHE 411 Cb 0.11 -2.22 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 3ek1 s PHE 411 CO 0.33 -1.02 0.00 0.41 -0.10 0.00 0.00 175.22 174.84 3ek1 n GLY 412 N -2.16 0.00 0.00 4.36 0.00 -1.24 -4.76 105.19 101.39 3ek1 n GLY 412 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.83 -4.31 0.99 7.94 -1.26 -0.81 117.00 120.38 3ek1 n LEU 413 Ca 0.00 0.00 -0.28 0.00 -1.11 0.00 0.00 56.01 54.62 3ek1 n LEU 413 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 3ek1 n LEU 413 CO 0.00 0.00 -0.55 0.00 -1.11 0.00 0.00 177.39 175.73 3ek1 s ALA 414 N -4.27 2.03 0.07 1.96 0.00 -1.26 -1.42 121.76 118.88 3ek1 s ALA 414 Ca 0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.68 3ek1 s ALA 414 Cb 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 3ek1 s ALA 414 CO 0.00 0.46 0.12 0.00 0.00 0.00 0.00 175.76 176.34 3ek1 s ALA 415 N -0.88 -0.03 -0.01 0.00 0.00 -0.48 -4.12 121.76 116.24 3ek1 s ALA 415 Ca 0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3ek1 s ALA 415 Cb -0.10 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.40 3ek1 s ALA 415 CO 0.03 -0.43 0.09 0.71 0.00 0.00 0.00 175.76 176.16 3ek1 s TYR 416 N -3.55 0.03 0.01 0.00 2.02 -0.02 -0.98 117.35 114.86 3ek1 s TYR 416 Ca 0.03 -0.06 -0.15 0.00 -0.37 0.00 0.00 57.07 56.52 3ek1 s TYR 416 Cb 0.04 -0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.58 3ek1 s TYR 416 CO -0.09 -0.19 0.31 -0.59 -1.57 0.00 0.00 175.55 173.43 3ek1 s PHE 417 N -0.90 -0.15 -0.12 2.71 -0.12 -0.22 -0.55 117.98 118.62 3ek1 s PHE 417 Ca -0.10 0.14 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 3ek1 s PHE 417 Cb -0.06 0.10 0.01 0.00 -0.63 0.00 0.00 43.02 42.45 3ek1 s PHE 417 CO 0.01 -0.45 -0.18 0.71 -0.05 0.00 0.00 175.22 175.26 3ek1 s TYR 418 N -1.93 2.24 -0.13 3.49 2.02 0.56 -0.90 117.35 122.69 3ek1 s TYR 418 Ca -0.09 -1.10 -0.30 0.00 -0.37 0.00 0.00 57.07 55.21 3ek1 s TYR 418 Cb -0.03 -1.58 0.10 0.00 -0.40 0.00 0.00 41.96 40.06 3ek1 s TYR 418 CO 0.01 -0.54 0.86 -0.08 -1.57 0.00 0.00 175.55 174.23 3ek1 s THR 419 N 0.96 0.00 -2.79 -0.71 -1.32 -1.26 -2.38 115.64 108.13 3ek1 s THR 419 Ca -0.06 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.67 3ek1 s THR 419 Cb -0.15 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.16 3ek1 s THR 419 CO -0.02 0.00 1.42 -0.62 -2.21 0.00 0.00 174.62 173.18 3ek1 n GLU 420 N 0.99 2.14 -3.07 7.08 -0.58 -0.37 -4.89 120.64 121.94 3ek1 n GLU 420 Ca -0.14 -1.66 -0.40 0.00 -0.42 0.00 0.00 57.16 54.54 3ek1 n GLU 420 Cb 0.57 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.94 6.94 0.00 1.62 3.84 -1.26 -4.99 114.94 119.16 3ek1 s ASN 421 Ca 0.32 1.14 -0.25 0.00 0.21 0.00 0.00 52.86 54.28 3ek1 s ASN 421 Cb 0.20 -2.40 -0.18 0.00 -0.55 0.00 0.00 41.25 38.32 3ek1 s ASN 421 CO 0.31 -0.12 1.31 0.15 -2.79 0.00 0.00 177.10 175.96 3ek1 h PHE 422 N 6.81 -0.13 -0.37 0.43 3.57 -2.00 -2.12 116.94 123.13 3ek1 h PHE 422 Ca -0.40 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.11 3ek1 h PHE 422 Cb 1.19 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3ek1 h PHE 422 CO 0.65 0.23 0.23 0.77 -2.23 0.00 0.00 178.31 177.96 3ek1 h SER 423 N -0.51 0.38 -0.96 0.41 0.02 -2.00 -2.34 113.55 108.54 3ek1 h SER 423 Ca -0.01 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 3ek1 h SER 423 Cb 0.42 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 3ek1 h SER 423 CO 0.02 0.27 0.62 -0.09 -1.14 0.00 0.00 176.83 176.51 3ek1 h ARG 424 N 0.46 0.96 -0.88 3.45 2.43 -1.99 -0.32 114.38 118.50 3ek1 h ARG 424 Ca 0.14 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3ek1 h ARG 424 Cb -0.02 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.25 3ek1 h ARG 424 CO -0.06 0.64 0.54 0.00 -1.51 0.00 0.00 179.97 179.58 3ek1 h ALA 425 N 1.53 1.23 0.02 2.80 0.00 -0.86 0.13 119.26 124.11 3ek1 h ALA 425 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ek1 h ALA 425 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ek1 h ALA 425 CO -0.21 0.25 -0.01 0.82 0.00 0.00 0.00 179.25 180.10 3ek1 h ILE 426 N 0.95 1.23 -0.30 0.00 1.08 -1.02 -1.81 117.51 117.64 3ek1 h ILE 426 Ca 0.40 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 3ek1 h ILE 426 Cb 0.24 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 3ek1 h ILE 426 CO -0.20 0.20 0.07 0.03 -0.69 0.00 0.00 178.15 177.56 3ek1 h ARG 427 N -0.37 0.48 0.00 2.37 3.08 -0.48 -2.05 114.38 117.41 3ek1 h ARG 427 Ca -0.00 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.81 3ek1 h ARG 427 Cb 0.35 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.35 3ek1 h ARG 427 CO 0.01 0.56 -0.48 0.28 -1.07 0.00 0.00 179.97 179.26 3ek1 h VAL 428 N 0.32 1.48 -0.82 2.04 2.07 -0.84 -0.58 116.25 119.91 3ek1 h VAL 428 Ca 0.09 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.64 3ek1 h VAL 428 Cb 0.29 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 3ek1 h VAL 428 CO 0.00 0.58 0.54 0.77 0.02 0.00 0.00 177.57 179.48 3ek1 h SER 429 N -0.27 0.76 0.77 0.57 4.64 -1.34 -1.78 113.55 116.90 3ek1 h SER 429 Ca -0.06 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.05 3ek1 h SER 429 Cb 1.21 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3ek1 h SER 429 CO 0.09 0.48 -1.03 -0.33 -0.87 0.00 0.00 176.83 175.17 3ek1 h GLU 430 N 0.85 0.13 0.00 4.77 5.08 -1.27 -3.34 114.58 120.81 3ek1 h GLU 430 Ca 0.36 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 3ek1 h GLU 430 Cb 0.30 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3ek1 h GLU 430 CO -0.14 1.04 -0.74 0.00 -1.00 0.00 0.00 179.01 178.18 3ek1 h ALA 431 N 0.88 0.60 -2.28 3.43 0.00 -0.44 -3.44 119.26 118.01 3ek1 h ALA 431 Ca -0.06 -0.67 -0.55 0.00 0.00 0.00 0.00 54.91 53.63 3ek1 h ALA 431 Cb 1.74 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3ek1 h ALA 431 CO 0.15 0.92 0.95 -0.51 0.00 0.00 0.00 179.25 180.76 3ek1 s LEU 432 N -6.81 4.29 -1.29 0.00 1.43 -0.73 -4.91 118.68 110.64 3ek1 s LEU 432 Ca 0.01 2.06 -0.13 0.00 -1.03 0.00 0.00 54.13 55.04 3ek1 s LEU 432 Cb 0.10 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.90 3ek1 s LEU 432 CO 0.78 -0.81 1.78 -0.62 0.23 0.00 0.00 176.35 177.71 3ek1 n GLU 433 N 6.32 3.33 -4.01 1.70 1.02 -1.26 -4.91 120.64 122.84 3ek1 n GLU 433 Ca 0.15 -3.42 -0.11 0.00 -0.02 0.00 0.00 57.16 53.76 3ek1 n GLU 433 Cb 0.44 -3.13 -0.11 0.00 -0.02 0.00 0.00 31.44 28.61 3ek1 n GLU 433 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ek1 s TYR 434 N 1.92 0.41 0.02 -0.32 2.02 -1.26 -4.41 117.35 115.73 3ek1 s TYR 434 Ca 0.44 -0.47 0.27 0.00 -0.37 0.00 0.00 57.07 56.94 3ek1 s TYR 434 Cb 0.06 -0.27 0.93 0.00 -0.40 0.00 0.00 41.96 42.29 3ek1 s TYR 434 CO 0.00 -0.13 1.82 0.78 -1.57 0.00 0.00 175.55 176.45 3ek1 h GLY 435 N 4.73 0.00 -5.49 0.71 0.00 -0.46 -3.46 103.07 99.11 3ek1 h GLY 435 Ca -0.33 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.82 3ek1 h GLY 435 CO 0.42 0.00 -0.48 1.06 0.00 0.00 0.00 176.54 177.54 3ek1 s MET 436 N -3.55 0.24 -0.07 4.80 -1.94 -0.50 -4.75 119.30 113.52 3ek1 s MET 436 Ca 0.02 0.32 -0.01 0.00 -1.71 0.00 0.00 55.69 54.31 3ek1 s MET 436 Cb 0.09 0.08 0.03 0.00 2.01 0.00 0.00 34.83 37.04 3ek1 s MET 436 CO 0.62 -0.05 0.00 0.08 -0.01 0.00 0.00 175.02 175.66 3ek1 s VAL 437 N 0.28 0.37 -0.21 -6.03 1.01 -1.26 -1.38 120.40 113.18 3ek1 s VAL 437 Ca -0.01 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 3ek1 s VAL 437 Cb -0.03 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 3ek1 s VAL 437 CO -0.01 0.26 0.18 -0.83 0.00 0.00 0.00 175.10 174.70 3ek1 s GLY 438 N 1.95 2.04 -0.24 4.51 0.00 -0.15 -4.99 107.32 110.44 3ek1 s GLY 438 Ca 0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 3ek1 s GLY 438 CO -0.05 0.33 -0.09 -1.58 0.00 0.00 0.00 173.10 171.70 3ek1 s HIS 439 N 0.72 3.06 -1.29 1.90 2.46 -1.26 -1.06 115.29 119.82 3ek1 s HIS 439 Ca 0.10 -1.73 0.00 0.00 0.47 0.00 0.00 55.06 53.89 3ek1 s HIS 439 Cb -0.12 -2.01 0.00 0.00 -0.13 0.00 0.00 32.58 30.32 3ek1 s HIS 439 CO 0.02 -0.78 0.00 0.09 -2.47 0.00 0.00 174.74 171.60 3ek1 n ASN 440 N 4.61 -4.41 -3.64 9.88 3.02 -0.08 -4.98 115.26 119.66 3ek1 n ASN 440 Ca -0.17 0.23 -0.15 0.00 -0.03 0.00 0.00 54.58 54.46 3ek1 n ASN 440 Cb 0.46 -3.19 -0.08 0.00 -0.61 0.00 0.00 39.78 36.37 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 -2.52 0.01 -2.15 3.41 -1.32 -1.26 -5.00 115.64 106.80 3ek1 s THR 441 Ca 0.00 -0.06 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 3ek1 s THR 441 Cb 0.00 -0.85 0.52 0.00 -1.51 0.00 0.00 72.50 70.66 3ek1 s THR 441 CO 0.00 -0.03 1.45 0.61 -2.21 0.00 0.00 174.62 174.44 3ek1 n GLY 442 N 2.09 2.12 2.81 6.08 0.00 -1.26 -4.62 105.19 112.41 3ek1 n GLY 442 Ca -0.16 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.23 2.19 0.00 0.99 1.43 -1.26 -4.20 118.68 116.60 3ek1 s LEU 443 Ca 0.43 -1.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.23 3ek1 s LEU 443 Cb 0.24 -0.92 0.01 0.00 0.03 0.00 0.00 46.19 45.55 3ek1 s LEU 443 CO 0.32 -0.33 0.54 2.30 0.23 0.00 0.00 176.35 179.41 3ek1 n ILE 444 N 4.82 0.00 -2.58 -0.59 -5.35 -1.26 -5.04 119.36 109.36 3ek1 n ILE 444 Ca -0.06 -0.50 -0.42 0.00 -0.27 0.00 0.00 62.75 61.50 3ek1 n ILE 444 Cb 0.44 1.04 -0.03 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.17 7.27 0.19 7.28 0.01 -1.26 -5.00 113.70 122.03 3ek1 s SER 445 Ca 0.02 1.89 -0.19 0.00 1.31 0.00 0.00 55.95 58.98 3ek1 s SER 445 Cb 0.01 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.73 3ek1 s SER 445 CO 0.02 -0.29 0.90 -0.46 0.41 0.00 0.00 173.24 173.82 3ek1 n ASN 446 N 3.42 -1.62 -0.26 2.44 0.23 -1.26 -5.05 115.26 113.16 3ek1 n ASN 446 Ca 0.06 -1.89 0.10 0.00 -0.53 0.00 0.00 54.58 52.32 3ek1 n ASN 446 Cb 0.48 2.64 -0.05 0.00 -2.08 0.00 0.00 39.78 40.77 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 -0.63 0.88 0.00 -3.83 0.00 -1.26 -4.54 120.64 111.26 3ek1 n GLU 447 Ca -0.03 -0.54 0.11 0.00 0.00 0.00 0.00 57.16 56.71 3ek1 n GLU 447 Cb 0.52 -1.44 -0.07 0.00 0.00 0.00 0.00 31.44 30.45 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 -0.68 0.05 -4.22 3.84 0.24 -1.26 -1.22 118.33 115.07 3ek1 n VAL 448 Ca 0.07 -0.17 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 3ek1 n VAL 448 Cb 0.39 0.53 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 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 -3.17 3.14 -0.18 2.33 0.00 -1.26 -3.90 121.76 118.73 3ek1 s ALA 449 Ca 0.04 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 3ek1 s ALA 449 Cb 0.15 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.33 3ek1 s ALA 449 CO 0.85 0.49 1.01 -1.25 0.00 0.00 0.00 175.76 176.86 3ek1 s PRO 450 N -2.89 4.32 -0.14 0.00 0.04 -1.26 -3.81 135.00 131.26 3ek1 s PRO 450 Ca 0.27 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 3ek1 s PRO 450 Cb -0.09 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 3ek1 s PRO 450 CO 0.18 -0.49 -0.08 -0.06 0.04 0.00 0.00 177.00 176.59 3ek1 s PHE 451 N 2.67 2.93 -4.39 0.56 0.08 -0.31 -4.90 117.98 114.62 3ek1 s PHE 451 Ca 0.45 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 57.06 3ek1 s PHE 451 Cb -0.16 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.38 3ek1 s PHE 451 CO 0.11 -0.11 0.00 0.41 -0.10 0.00 0.00 175.22 175.53 3ek1 n GLY 452 N 3.51 -2.12 3.48 4.36 0.00 -1.26 -1.03 105.19 112.13 3ek1 n GLY 452 Ca -0.18 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 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 2.08 0.53 -0.02 0.00 -1.26 -4.11 107.32 104.53 3ek1 s GLY 453 Ca 0.00 -2.05 0.05 0.00 0.00 0.00 0.00 44.72 42.72 3ek1 s GLY 453 CO 0.00 -1.89 0.36 -1.34 0.00 0.00 0.00 173.10 170.23 3ek1 s VAL 454 N -3.05 1.67 0.00 1.40 -7.23 0.01 -4.38 120.40 108.81 3ek1 s VAL 454 Ca 0.34 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 3ek1 s VAL 454 Cb 0.07 -2.21 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3ek1 s VAL 454 CO 0.15 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.23 3ek1 n LYS 455 N -1.69 0.00 -0.22 4.82 5.02 -1.26 -1.88 118.16 122.94 3ek1 n LYS 455 Ca -0.03 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.29 3ek1 n LYS 455 Cb 0.64 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.78 3ek1 n LYS 455 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3ek1 n GLN 456 N 14.00 1.99 0.00 1.97 6.02 -0.49 -3.67 117.38 137.20 3ek1 n GLN 456 Ca 0.00 -1.02 0.14 0.00 -0.01 0.00 0.00 57.00 56.11 3ek1 n GLN 456 Cb 0.00 -1.49 0.59 0.00 1.02 0.00 0.00 30.24 30.36 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 0.24 0.67 0.00 1.08 7.64 -0.79 -4.42 113.62 118.04 3ek1 n SER 457 Ca 0.09 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.17 3ek1 n SER 457 Cb 0.40 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 1.25 1.02 3.04 0.23 0.00 -1.24 -1.02 105.19 108.46 3ek1 n GLY 458 Ca 0.16 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.01 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 2.01 0.00 0.99 1.43 -0.29 -4.52 118.68 118.30 3ek1 s LEU 459 Ca 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3ek1 s LEU 459 Cb 0.00 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.70 3ek1 s LEU 459 CO 0.00 0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.31 3ek1 n GLY 460 N 2.85 -1.72 3.25 -3.19 0.00 -1.26 -1.09 105.19 104.02 3ek1 n GLY 460 Ca -0.14 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.22 1.15 0.16 1.61 1.81 -1.26 -4.40 118.95 115.80 3ek1 s ARG 461 Ca 0.00 -1.03 0.09 0.00 -1.72 0.00 0.00 55.73 53.06 3ek1 s ARG 461 Cb 0.00 -1.32 -0.04 0.00 -0.45 0.00 0.00 34.95 33.14 3ek1 s ARG 461 CO 0.00 0.32 -0.10 -1.21 -0.68 0.00 0.00 175.30 173.62 3ek1 s GLU 462 N -1.59 2.04 0.33 3.54 2.02 -0.19 -4.38 118.70 120.48 3ek1 s GLU 462 Ca 0.05 -1.21 0.00 0.00 0.02 0.00 0.00 54.97 53.83 3ek1 s GLU 462 Cb -0.09 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.95 3ek1 s GLU 462 CO 0.03 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.17 3ek1 n GLY 463 N 0.25 -1.97 0.93 -1.39 0.00 -1.26 -1.16 105.19 100.59 3ek1 n GLY 463 Ca -0.12 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.07 -5.55 0.00 1.61 3.41 -0.36 -1.77 113.62 107.89 3ek1 n SER 464 Ca 0.01 0.46 0.02 0.00 -0.26 0.00 0.00 58.87 59.10 3ek1 n SER 464 Cb 0.41 -2.88 0.11 0.00 -0.26 0.00 0.00 64.21 61.60 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 -3.28 0.05 0.00 4.33 2.85 -1.26 -2.23 118.16 118.63 3ek1 n LYS 465 Ca -0.00 0.29 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 3ek1 n LYS 465 Cb 0.43 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.32 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 -1.35 0.01 -0.09 5.58 4.01 -1.25 -4.62 117.16 119.44 3ek1 n TYR 466 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 3ek1 n TYR 466 Cb 0.04 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 38.92 3ek1 n TYR 466 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3ek1 h GLY 467 N 4.96 0.85 2.00 2.72 0.00 -0.87 -3.25 103.07 109.48 3ek1 h GLY 467 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 47.33 46.38 3ek1 h GLY 467 CO 0.00 0.81 -0.24 1.19 0.00 0.00 0.00 176.54 178.31 3ek1 h ILE 468 N 0.54 1.14 -0.44 2.60 2.10 -1.82 -2.73 117.51 118.91 3ek1 h ILE 468 Ca 0.04 -0.82 0.13 0.00 1.08 0.00 0.00 64.86 65.29 3ek1 h ILE 468 Cb 0.95 1.44 -0.02 0.00 -1.09 0.00 0.00 36.82 38.10 3ek1 h ILE 468 CO 0.09 0.23 0.32 -0.33 -1.08 0.00 0.00 178.15 177.38 3ek1 h GLU 469 N 0.00 0.00 0.00 2.19 5.08 -1.86 0.28 114.58 120.27 3ek1 h GLU 469 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ek1 h GLU 469 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ek1 h GLU 469 CO 0.03 0.00 0.00 0.93 -1.00 0.00 0.00 179.01 178.97 3ek1 h GLU 470 N 0.00 0.00 -0.10 2.33 4.39 -1.65 -2.59 114.58 116.96 3ek1 h GLU 470 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3ek1 h GLU 470 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3ek1 h GLU 470 CO -0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 3ek1 n TYR 471 N -2.53 0.16 -4.36 4.33 4.01 0.08 -4.97 117.16 113.88 3ek1 n TYR 471 Ca -0.01 -0.59 -0.24 0.00 -0.16 0.00 0.00 57.90 56.91 3ek1 n TYR 471 Cb 0.12 -0.07 -0.13 0.00 -0.31 0.00 0.00 39.34 38.95 3ek1 n TYR 471 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ek1 s LEU 472 N -1.34 2.27 -0.06 7.72 1.43 -0.98 -1.41 118.68 126.32 3ek1 s LEU 472 Ca 0.12 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 3ek1 s LEU 472 Cb 0.08 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 3ek1 s LEU 472 CO 0.05 0.08 -0.12 -1.61 0.23 0.00 0.00 176.35 174.98 3ek1 s GLU 473 N -1.76 2.59 -0.02 1.70 0.41 0.12 -4.78 118.70 116.96 3ek1 s GLU 473 Ca 0.07 -0.65 -0.23 0.00 -0.41 0.00 0.00 54.97 53.75 3ek1 s GLU 473 Cb -0.10 -2.45 -0.04 0.00 -1.78 0.00 0.00 34.13 29.76 3ek1 s GLU 473 CO 0.04 0.63 0.70 0.99 -0.49 0.00 0.00 175.26 177.13 3ek1 s THR 474 N -0.75 4.93 -0.14 3.63 2.01 -1.26 -1.35 115.64 122.72 3ek1 s THR 474 Ca 0.12 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.59 3ek1 s THR 474 Cb -0.11 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.38 3ek1 s THR 474 CO 0.01 0.31 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.33 3ek1 s LYS 475 N 0.38 2.52 -0.22 4.92 2.20 0.33 -5.00 119.74 124.86 3ek1 s LYS 475 Ca 0.37 -0.66 -0.18 0.00 -0.36 0.00 0.00 55.97 55.14 3ek1 s LYS 475 Cb -0.19 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 33.95 3ek1 s LYS 475 CO 0.19 -0.12 0.50 -0.47 -0.36 0.00 0.00 175.35 175.10 3ek1 s TYR 476 N 1.13 3.33 -0.21 4.03 5.04 -1.26 -0.29 117.35 129.12 3ek1 s TYR 476 Ca -0.02 0.70 0.01 0.00 -2.44 0.00 0.00 57.07 55.31 3ek1 s TYR 476 Cb -0.14 -2.67 0.03 0.00 0.35 0.00 0.00 41.96 39.52 3ek1 s TYR 476 CO -0.06 -0.16 -0.15 0.42 -1.34 0.00 0.00 175.55 174.26 3ek1 s ILE 477 N 1.86 2.30 -0.35 3.14 1.01 0.60 -5.00 121.20 124.76 3ek1 s ILE 477 Ca 0.22 -1.05 -0.11 0.00 0.00 0.00 0.00 60.65 59.71 3ek1 s ILE 477 Cb -0.15 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3ek1 s ILE 477 CO 0.09 0.38 0.20 0.00 0.00 0.00 0.00 174.94 175.61 3ek1 s SER 479 N 1.61 3.67 0.12 0.00 0.01 -0.09 -4.97 113.70 114.06 3ek1 s SER 479 Ca 0.04 -0.47 -0.18 0.00 1.31 0.00 0.00 55.95 56.65 3ek1 s SER 479 Cb -0.18 -1.57 -0.07 0.00 0.21 0.00 0.00 66.02 64.41 3ek1 s SER 479 CO 0.07 0.08 0.59 0.00 0.41 0.00 0.00 173.24 174.39 3ek1 s ALA 480 N 0.83 3.56 0.15 1.44 0.00 -1.26 0.21 121.76 126.69 3ek1 s ALA 480 Ca -0.05 0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.93 3ek1 s ALA 480 Cb -0.15 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 3ek1 s ALA 480 CO -0.00 0.41 -0.00 1.52 0.00 0.00 0.00 175.76 177.68 3ek1 s TYR 481 N -1.28 1.10 -0.35 0.00 -0.85 -0.41 -4.97 117.35 110.59 3ek1 s TYR 481 Ca 0.34 -1.03 -0.24 0.00 -0.52 0.00 0.00 57.07 55.62 3ek1 s TYR 481 Cb -0.18 -0.63 0.01 0.00 0.38 0.00 0.00 41.96 41.54 3ek1 s TYR 481 CO 0.19 -0.24 0.82 -1.59 -1.52 0.00 0.00 175.55 173.22 3ek1 s LYS 482 N -3.92 3.81 0.00 -3.49 0.00 -1.26 -4.77 119.74 110.12 3ek1 s LYS 482 Ca 0.21 0.43 0.07 0.00 0.00 0.00 0.00 55.97 56.68 3ek1 s LYS 482 Cb 0.06 -3.79 0.40 0.00 0.00 0.00 0.00 37.83 34.50 3ek1 s LYS 482 CO 0.02 -0.84 0.86 0.54 0.00 0.00 0.00 175.35 175.93