#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek3 s ILE 2 N 0.00 4.81 -0.26 2.12 1.01 -1.26 -5.01 121.20 122.61 1ek3 s ILE 2 Ca 0.00 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.25 1ek3 s ILE 2 Cb 0.00 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1ek3 s ILE 2 CO 0.00 0.30 0.14 -0.69 0.00 0.00 0.00 174.94 174.69 1ek3 s VAL 3 N 0.32 4.91 -0.29 2.92 1.01 -1.26 -4.94 120.40 123.07 1ek3 s VAL 3 Ca 0.41 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 1ek3 s VAL 3 Cb -0.20 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.87 1ek3 s VAL 3 CO 0.23 0.30 0.06 -0.04 0.00 0.00 0.00 175.10 175.65 1ek3 s MET 4 N 1.61 3.08 -0.14 2.72 -1.94 -1.26 -1.47 119.30 121.90 1ek3 s MET 4 Ca 0.07 -0.86 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1ek3 s MET 4 Cb -0.15 -3.32 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1ek3 s MET 4 CO 0.07 -0.43 -0.15 0.99 -0.01 0.00 0.00 175.02 175.49 1ek3 s THR 5 N 1.48 2.76 0.14 2.05 2.01 -0.07 -3.94 115.64 120.06 1ek3 s THR 5 Ca 0.02 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1ek3 s THR 5 Cb -0.17 -2.15 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1ek3 s THR 5 CO 0.02 0.52 0.03 -1.10 -0.69 0.00 0.00 174.62 173.40 1ek3 s GLN 6 N 0.57 2.57 -0.13 4.92 -0.21 -1.26 0.10 119.66 126.21 1ek3 s GLN 6 Ca -0.09 -0.96 -0.07 0.00 0.02 0.00 0.00 55.36 54.25 1ek3 s GLN 6 Cb -0.16 -2.49 0.05 0.00 1.00 0.00 0.00 33.01 31.42 1ek3 s GLN 6 CO 0.04 0.49 0.32 0.45 -2.12 0.00 0.00 175.29 174.46 1ek3 s SER 7 N -2.77 -0.37 0.82 5.90 0.15 -0.12 -4.59 113.70 112.72 1ek3 s SER 7 Ca 0.28 0.68 -0.05 0.00 0.70 0.00 0.00 55.95 57.56 1ek3 s SER 7 Cb -0.10 0.56 0.08 0.00 -1.71 0.00 0.00 66.02 64.86 1ek3 s SER 7 CO 0.20 -0.18 0.52 -0.81 1.20 0.00 0.00 173.24 174.17 1ek3 n PRO 8 N 4.24 -0.24 0.10 5.44 -0.04 -1.26 -1.11 135.00 142.13 1ek3 n PRO 8 Ca -0.24 -1.00 0.04 0.00 -0.04 0.00 0.00 63.50 62.25 1ek3 n PRO 8 Cb 0.54 -0.48 -0.01 0.00 -0.04 0.00 0.00 33.50 33.51 1ek3 n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1ek3 h ASP 9 N -0.57 0.00 -4.67 3.54 3.32 -1.85 -3.43 116.42 112.76 1ek3 h ASP 9 Ca -0.17 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 1ek3 h ASP 9 Cb 0.52 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.86 1ek3 h ASP 9 CO 0.14 0.42 -0.23 -0.44 -1.72 0.00 0.00 179.24 177.41 1ek3 s SER 10 N -6.04 -0.29 0.04 6.45 0.01 -1.26 -1.09 113.70 111.52 1ek3 s SER 10 Ca 0.01 0.34 -0.22 0.00 1.31 0.00 0.00 55.95 57.38 1ek3 s SER 10 Cb 0.08 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.83 1ek3 s SER 10 CO 0.77 -0.37 0.52 -1.48 0.41 0.00 0.00 173.24 173.08 1ek3 s LEU 11 N -0.88 -0.05 -0.05 2.44 0.05 0.10 -4.92 118.68 115.37 1ek3 s LEU 11 Ca -0.10 0.19 -0.03 0.00 0.05 0.00 0.00 54.13 54.25 1ek3 s LEU 11 Cb -0.04 2.10 0.02 0.00 -2.05 0.00 0.00 46.19 46.22 1ek3 s LEU 11 CO 0.04 -0.70 0.11 0.00 -0.55 0.00 0.00 176.35 175.25 1ek3 s ALA 12 N -2.34 -0.22 0.15 1.48 0.00 -1.26 -1.11 121.76 118.46 1ek3 s ALA 12 Ca -0.06 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1ek3 s ALA 12 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 1ek3 s ALA 12 CO -0.01 -0.09 -0.05 0.14 0.00 0.00 0.00 175.76 175.75 1ek3 s VAL 13 N 0.53 0.84 0.79 0.00 -7.23 -1.03 -4.73 120.40 109.57 1ek3 s VAL 13 Ca -0.04 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 1ek3 s VAL 13 Cb -0.06 -1.93 0.07 0.00 0.56 0.00 0.00 36.38 35.02 1ek3 s VAL 13 CO -0.02 -0.66 1.13 -0.44 -0.31 0.00 0.00 175.10 174.80 1ek3 s SER 14 N -3.14 4.09 0.26 4.85 0.01 -1.26 -0.07 113.70 118.44 1ek3 s SER 14 Ca 0.19 2.04 -0.31 0.00 1.31 0.00 0.00 55.95 59.18 1ek3 s SER 14 Cb 0.05 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.60 1ek3 s SER 14 CO 0.01 -2.32 1.42 -2.65 0.41 0.00 0.00 173.24 170.11 1ek3 n PRO 15 N -3.43 2.13 -0.36 12.44 -0.02 -1.26 -1.37 135.00 143.13 1ek3 n PRO 15 Ca 0.11 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1ek3 n PRO 15 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1ek3 n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek3 n GLY 16 N 2.00 2.22 3.91 -1.23 0.00 -0.09 -4.91 105.19 107.10 1ek3 n GLY 16 Ca 0.10 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 1ek3 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ek3 s GLU 17 N -0.02 3.15 0.21 1.61 2.02 -0.47 -4.19 118.70 121.02 1ek3 s GLU 17 Ca 0.00 0.14 -0.30 0.00 0.02 0.00 0.00 54.97 54.83 1ek3 s GLU 17 Cb 0.00 -2.28 -0.08 0.00 0.10 0.00 0.00 34.13 31.87 1ek3 s GLU 17 CO 0.00 -0.56 0.96 0.50 0.02 0.00 0.00 175.26 176.18 1ek3 s ARG 18 N -4.95 4.81 -0.08 1.61 3.52 -1.16 -1.24 118.95 121.46 1ek3 s ARG 18 Ca 0.52 1.50 0.05 0.00 -0.13 0.00 0.00 55.73 57.67 1ek3 s ARG 18 Cb -0.11 -3.30 -0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1ek3 s ARG 18 CO 0.46 0.43 -0.23 0.00 -0.81 0.00 0.00 175.30 175.15 1ek3 s ALA 19 N -0.91 2.07 -0.07 6.12 0.00 0.15 -4.95 121.76 124.17 1ek3 s ALA 19 Ca 0.43 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.48 1ek3 s ALA 19 Cb -0.26 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1ek3 s ALA 19 CO 0.32 0.33 -0.19 0.99 0.00 0.00 0.00 175.76 177.21 1ek3 s THR 20 N 0.15 1.62 -0.07 0.00 2.01 -1.26 -0.57 115.64 117.51 1ek3 s THR 20 Ca -0.12 -0.78 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1ek3 s THR 20 Cb -0.16 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.94 1ek3 s THR 20 CO 0.06 0.46 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.64 1ek3 s ILE 21 N 0.34 1.61 0.04 1.82 1.01 -0.03 -4.75 121.20 121.25 1ek3 s ILE 21 Ca -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1ek3 s ILE 21 Cb -0.16 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1ek3 s ILE 21 CO 0.05 0.46 0.09 0.21 0.00 0.00 0.00 174.94 175.76 1ek3 s ASN 22 N 0.36 5.68 -0.02 3.58 3.84 -0.27 -0.80 114.94 127.30 1ek3 s ASN 22 Ca -0.13 0.08 -0.01 0.00 0.21 0.00 0.00 52.86 53.01 1ek3 s ASN 22 Cb -0.16 -1.59 0.01 0.00 -0.55 0.00 0.00 41.25 38.96 1ek3 s ASN 22 CO 0.05 0.21 0.03 0.00 -2.79 0.00 0.00 177.10 174.61 1ek3 s LYS 24 N 0.48 1.98 -0.09 0.00 2.20 0.12 -0.84 119.74 123.59 1ek3 s LYS 24 Ca -0.04 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1ek3 s LYS 24 Cb -0.06 -1.65 -0.03 0.00 -1.51 0.00 0.00 37.83 34.58 1ek3 s LYS 24 CO -0.02 0.19 -0.05 0.45 -0.36 0.00 0.00 175.35 175.56 1ek3 s SER 25 N 0.22 4.75 0.21 1.43 0.15 0.17 -0.89 113.70 119.74 1ek3 s SER 25 Ca -0.08 -0.03 0.25 0.00 0.70 0.00 0.00 55.95 56.79 1ek3 s SER 25 Cb -0.14 -1.36 0.88 0.00 -1.71 0.00 0.00 66.02 63.70 1ek3 s SER 25 CO 0.04 0.32 1.76 -1.54 1.20 0.00 0.00 173.24 175.01 1ek3 n SER 26 N 2.52 0.72 -4.46 5.45 3.41 -0.54 -4.70 113.62 116.01 1ek3 n SER 26 Ca -0.18 0.60 -0.33 0.00 -0.26 0.00 0.00 58.87 58.70 1ek3 n SER 26 Cb 0.53 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.57 1ek3 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ek3 s GLN 27 N -3.17 2.98 1.17 4.33 2.00 -1.26 -4.93 119.66 120.78 1ek3 s GLN 27 Ca 0.09 -0.64 -0.16 0.00 -2.00 0.00 0.00 55.36 52.64 1ek3 s GLN 27 Cb 0.12 -2.57 0.27 0.00 0.80 0.00 0.00 33.01 31.63 1ek3 s GLN 27 CO 0.52 0.45 1.06 1.21 -0.50 0.00 0.00 175.29 178.03 1ek3 s ASN 27 N -0.25 1.16 0.07 6.67 2.47 -1.26 -4.63 114.94 119.16 1ek3 s ASN 27 Ca 0.02 0.98 0.00 0.00 0.42 0.00 0.00 52.86 54.28 1ek3 s ASN 27 Cb -0.13 -1.48 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1ek3 s ASN 27 CO 0.03 -4.01 0.00 -0.11 -3.72 0.00 0.00 177.10 169.28 1ek3 n LEU 27 N -4.73 -1.18 -5.04 3.21 7.94 -1.26 -5.01 117.00 110.92 1ek3 n LEU 27 Ca 0.08 1.43 -0.20 0.00 -1.11 0.00 0.00 56.01 56.22 1ek3 n LEU 27 Cb 0.58 -1.83 0.07 0.00 0.53 0.00 0.00 43.42 42.77 1ek3 n LEU 27 CO 0.51 -0.25 0.38 -0.62 -1.11 0.00 0.00 177.39 176.31 1ek3 s ASP 27 N -0.97 5.00 0.00 1.96 -1.08 -0.26 -4.98 116.67 116.34 1ek3 s ASP 27 Ca 0.00 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1ek3 s ASP 27 Cb 0.00 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.90 1ek3 s ASP 27 CO 0.00 -1.44 0.00 -1.54 0.52 0.00 0.00 175.17 172.71 1ek3 n SER 27 N -2.32 0.00 -0.21 -0.34 3.41 -1.26 -0.43 113.62 112.47 1ek3 n SER 27 Ca 0.17 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.86 1ek3 n SER 27 Cb 0.62 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.53 1ek3 n SER 27 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ek3 n PHE 28 N 0.00 0.00 -3.10 7.33 3.72 -1.26 -4.99 117.46 119.16 1ek3 n PHE 28 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 1ek3 n PHE 28 Cb 0.00 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.58 1ek3 n PHE 28 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ek3 n ASP 29 N -0.68 -6.15 -4.28 4.37 8.00 0.43 -4.99 116.55 113.24 1ek3 n ASP 29 Ca 0.05 -0.32 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 1ek3 n ASP 29 Cb 0.31 -4.95 -0.15 0.00 -0.02 0.00 0.00 41.12 36.31 1ek3 n ASP 29 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ek3 s THR 30 N -3.20 1.88 -0.18 -3.53 -4.23 -1.15 -4.96 115.64 100.26 1ek3 s THR 30 Ca 0.34 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1ek3 s THR 30 Cb -0.15 -1.58 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1ek3 s THR 30 CO 0.43 0.43 -0.03 0.20 -0.54 0.00 0.00 174.62 175.11 1ek3 s ASN 31 N -0.81 4.69 -1.61 3.99 0.01 -1.26 -1.10 114.94 118.84 1ek3 s ASN 31 Ca 0.09 -0.20 -0.10 0.00 -0.71 0.00 0.00 52.86 51.94 1ek3 s ASN 31 Cb -0.09 -1.78 -0.08 0.00 0.41 0.00 0.00 41.25 39.71 1ek3 s ASN 31 CO 0.00 0.10 2.92 0.35 -1.51 0.00 0.00 177.10 178.97 1ek3 n THR 32 N 3.96 4.31 -4.55 1.60 -2.24 -1.26 -3.69 114.28 112.41 1ek3 n THR 32 Ca -0.17 -2.64 -0.24 0.00 -2.27 0.00 0.00 64.05 58.73 1ek3 n THR 32 Cb 0.52 -2.61 -0.16 0.00 -2.10 0.00 0.00 70.33 65.98 1ek3 n THR 32 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ek3 s LEU 33 N 0.22 1.65 0.19 3.22 1.98 -1.26 -1.54 118.68 123.15 1ek3 s LEU 33 Ca 0.68 -0.28 0.03 0.00 -2.89 0.00 0.00 54.13 51.68 1ek3 s LEU 33 Cb 0.18 -0.78 -0.05 0.00 0.66 0.00 0.00 46.19 46.20 1ek3 s LEU 33 CO -0.06 0.04 -0.03 0.00 -1.89 0.00 0.00 176.35 174.40 1ek3 s ALA 34 N 0.59 1.61 -0.04 5.97 0.00 0.65 -0.55 121.76 129.99 1ek3 s ALA 34 Ca -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 51.96 50.24 1ek3 s ALA 34 Cb -0.15 0.36 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1ek3 s ALA 34 CO 0.03 -0.21 -0.19 -1.58 0.00 0.00 0.00 175.76 173.81 1ek3 s TRP 35 N -3.43 1.83 0.21 0.00 0.52 0.35 0.66 118.94 119.08 1ek3 s TRP 35 Ca 0.24 -0.47 0.09 0.00 0.02 0.00 0.00 56.10 55.97 1ek3 s TRP 35 Cb 0.05 -1.21 -0.05 0.00 -1.15 0.00 0.00 33.47 31.11 1ek3 s TRP 35 CO 0.05 -0.13 -0.17 0.71 0.02 0.00 0.00 176.95 177.43 1ek3 s TYR 36 N -0.15 1.89 -0.07 -1.98 1.51 0.72 -0.29 117.35 118.97 1ek3 s TYR 36 Ca -0.00 -0.48 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 1ek3 s TYR 36 Cb -0.11 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1ek3 s TYR 36 CO 0.01 0.44 -0.23 -1.14 -1.11 0.00 0.00 175.55 173.52 1ek3 s GLN 37 N -3.37 2.57 -0.17 -0.62 0.74 0.45 -1.79 119.66 117.48 1ek3 s GLN 37 Ca 0.22 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.80 1ek3 s GLN 37 Cb -0.03 -2.09 0.04 0.00 1.10 0.00 0.00 33.01 32.02 1ek3 s GLN 37 CO 0.09 0.28 -0.09 -1.14 -0.55 0.00 0.00 175.29 173.88 1ek3 s GLN 38 N 0.06 1.84 0.50 1.67 0.74 0.46 -0.66 119.66 124.28 1ek3 s GLN 38 Ca -0.09 -0.61 -0.04 0.00 0.05 0.00 0.00 55.36 54.67 1ek3 s GLN 38 Cb -0.15 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 1ek3 s GLN 38 CO 0.05 -0.37 0.79 0.15 -0.55 0.00 0.00 175.29 175.36 1ek3 s LYS 39 N 1.53 3.32 0.12 1.67 -0.14 -1.26 -1.58 119.74 123.39 1ek3 s LYS 39 Ca 0.01 0.04 -0.35 0.00 -1.36 0.00 0.00 55.97 54.31 1ek3 s LYS 39 Cb -0.15 -2.38 -0.15 0.00 -1.68 0.00 0.00 37.83 33.47 1ek3 s LYS 39 CO -0.09 -0.33 1.47 -2.30 -0.76 0.00 0.00 175.35 173.35 1ek3 n PRO 40 N -2.30 1.66 -0.59 -1.68 -0.02 -1.26 -1.86 135.00 128.96 1ek3 n PRO 40 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1ek3 n PRO 40 Cb 0.56 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1ek3 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ek3 n GLY 41 N 3.02 1.10 3.79 -1.23 0.00 -1.26 -5.00 105.19 105.60 1ek3 n GLY 41 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1ek3 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ek3 s GLN 42 N -0.22 2.54 0.65 1.61 -0.21 -0.77 -5.13 119.66 118.13 1ek3 s GLN 42 Ca 0.00 -1.42 -0.08 0.00 0.02 0.00 0.00 55.36 53.88 1ek3 s GLN 42 Cb 0.00 -2.32 0.02 0.00 1.00 0.00 0.00 33.01 31.71 1ek3 s GLN 42 CO 0.00 0.12 0.99 -1.25 -2.12 0.00 0.00 175.29 173.02 1ek3 s PRO 43 N -3.91 2.76 0.30 2.91 0.04 -1.26 -4.59 135.00 131.26 1ek3 s PRO 43 Ca 0.39 0.10 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1ek3 s PRO 43 Cb -0.04 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1ek3 s PRO 43 CO 0.24 -0.91 1.16 -1.25 0.04 0.00 0.00 177.00 176.28 1ek3 s PRO 44 N -5.16 4.51 -0.02 0.56 0.04 -1.26 -4.62 135.00 129.05 1ek3 s PRO 44 Ca 0.56 1.91 0.05 0.00 0.04 0.00 0.00 61.00 63.57 1ek3 s PRO 44 Cb -0.11 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1ek3 s PRO 44 CO 0.47 0.06 -0.18 0.15 0.04 0.00 0.00 177.00 177.54 1ek3 s LYS 45 N -1.62 2.32 0.22 4.56 1.02 0.17 -4.89 119.74 121.52 1ek3 s LYS 45 Ca 0.47 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 1ek3 s LYS 45 Cb -0.34 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.61 1ek3 s LYS 45 CO 0.44 0.59 1.56 -1.17 -0.92 0.00 0.00 175.35 175.85 1ek3 s LEU 46 N -0.84 4.37 -0.08 3.17 2.96 -1.26 -0.41 118.68 126.59 1ek3 s LEU 46 Ca 0.12 2.75 -0.05 0.00 -0.22 0.00 0.00 54.13 56.73 1ek3 s LEU 46 Cb -0.10 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1ek3 s LEU 46 CO 0.01 -0.84 -0.12 0.18 -1.32 0.00 0.00 176.35 174.26 1ek3 n LEU 47 N 3.11 0.80 -3.94 -0.68 4.77 0.60 -4.81 117.00 116.85 1ek3 n LEU 47 Ca 0.11 0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 1ek3 n LEU 47 Cb 0.38 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1ek3 n LEU 47 CO 0.62 0.05 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.72 1ek3 s ILE 48 N -2.20 0.25 0.24 -0.08 1.01 -0.92 -0.80 121.20 118.71 1ek3 s ILE 48 Ca -0.13 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 60.31 1ek3 s ILE 48 Cb 0.04 -0.24 -0.05 0.00 0.01 0.00 0.00 42.46 42.22 1ek3 s ILE 48 CO 0.16 -0.02 -0.05 -0.72 0.00 0.00 0.00 174.94 174.31 1ek3 s TYR 49 N -0.30 1.73 -1.58 3.97 1.13 0.27 -0.50 117.35 122.07 1ek3 s TYR 49 Ca -0.01 -0.77 -0.15 0.00 -1.41 0.00 0.00 57.07 54.72 1ek3 s TYR 49 Cb -0.03 -0.97 0.11 0.00 -1.10 0.00 0.00 41.96 39.98 1ek3 s TYR 49 CO -0.00 0.15 0.88 0.91 -2.51 0.00 0.00 175.55 174.98 1ek3 n TRP 50 N -0.47 -2.07 0.00 -3.49 8.01 -1.02 -1.03 117.44 117.37 1ek3 n TRP 50 Ca -0.06 0.83 0.00 0.00 -1.31 0.00 0.00 57.50 56.97 1ek3 n TRP 50 Cb 0.63 -3.53 0.00 0.00 -2.01 0.00 0.00 31.31 26.40 1ek3 n TRP 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ek3 n ALA 51 N -4.49 0.00 -0.33 6.99 0.00 0.29 -4.10 120.51 118.87 1ek3 n ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1ek3 n ALA 51 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1ek3 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ek3 n SER 52 N 0.66 0.17 -4.65 0.00 3.41 -1.16 -3.49 113.62 108.55 1ek3 n SER 52 Ca 0.00 -0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 1ek3 n SER 52 Cb 0.00 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 1ek3 n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ek3 s SER 53 N -0.17 6.91 0.23 4.04 0.01 -0.20 -4.55 113.70 119.97 1ek3 s SER 53 Ca 0.00 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 1ek3 s SER 53 Cb 0.00 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 1ek3 s SER 53 CO 0.00 -0.54 0.94 -0.13 0.41 0.00 0.00 173.24 173.92 1ek3 s ARG 54 N 2.88 4.84 0.53 12.44 0.52 -1.26 -0.56 118.95 138.33 1ek3 s ARG 54 Ca 0.37 1.49 -0.20 0.00 -0.52 0.00 0.00 55.73 56.88 1ek3 s ARG 54 Cb -0.15 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 31.96 1ek3 s ARG 54 CO 0.07 0.49 1.10 -2.00 0.02 0.00 0.00 175.30 174.98 1ek3 s GLU 55 N -1.07 3.51 0.31 3.54 2.56 0.02 -4.93 118.70 122.63 1ek3 s GLU 55 Ca 0.42 1.51 -0.30 0.00 0.00 0.00 0.00 54.97 56.60 1ek3 s GLU 55 Cb -0.26 -2.04 -0.12 0.00 2.00 0.00 0.00 34.13 33.72 1ek3 s GLU 55 CO 0.32 -0.70 1.54 -1.13 -0.56 0.00 0.00 175.26 174.72 1ek3 n SER 56 N -1.21 3.67 0.00 -1.70 3.41 -1.26 -1.97 113.62 114.57 1ek3 n SER 56 Ca 0.11 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1ek3 n SER 56 Cb 0.52 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.89 1ek3 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ek3 n GLY 57 N 1.75 3.48 3.70 5.00 0.00 -1.26 -5.05 105.19 112.81 1ek3 n GLY 57 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ek3 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek3 s VAL 58 N -2.94 4.64 0.64 1.61 1.01 -0.83 -5.01 120.40 119.51 1ek3 s VAL 58 Ca 0.00 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.70 1ek3 s VAL 58 Cb 0.00 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1ek3 s VAL 58 CO 0.00 0.05 1.29 -2.16 0.00 0.00 0.00 175.10 174.28 1ek3 s PRO 59 N 1.71 2.61 0.00 2.72 0.04 -1.26 -4.90 135.00 135.92 1ek3 s PRO 59 Ca 0.52 2.06 0.14 0.00 0.04 0.00 0.00 61.00 63.75 1ek3 s PRO 59 Cb -0.21 -1.87 0.74 0.00 0.04 0.00 0.00 34.50 33.20 1ek3 s PRO 59 CO 0.22 -1.55 1.32 -0.40 0.04 0.00 0.00 177.00 176.63 1ek3 n ASP 60 N -1.84 0.00 0.01 6.66 5.75 -1.26 -2.26 116.55 123.61 1ek3 n ASP 60 Ca 0.15 -0.11 0.11 0.00 -0.01 0.00 0.00 54.79 54.94 1ek3 n ASP 60 Cb 0.48 -0.18 0.48 0.00 -1.03 0.00 0.00 41.12 40.87 1ek3 n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1ek3 n ARG 61 N -1.18 0.03 -3.59 0.11 1.85 -1.26 -4.63 116.66 107.99 1ek3 n ARG 61 Ca 0.08 0.13 -0.36 0.00 -1.00 0.00 0.00 57.85 56.70 1ek3 n ARG 61 Cb 0.08 -1.54 -0.07 0.00 -1.05 0.00 0.00 32.46 29.88 1ek3 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1ek3 s PHE 62 N -3.02 3.44 -0.11 2.89 0.08 -0.96 -0.85 117.98 119.45 1ek3 s PHE 62 Ca 0.11 0.51 -0.14 0.00 0.12 0.00 0.00 56.93 57.53 1ek3 s PHE 62 Cb 0.14 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1ek3 s PHE 62 CO 0.43 0.24 0.37 -1.54 -0.10 0.00 0.00 175.22 174.62 1ek3 s SER 63 N 0.46 -0.35 0.09 1.36 1.04 -0.61 -4.98 113.70 110.71 1ek3 s SER 63 Ca 0.14 0.59 0.10 0.00 0.48 0.00 0.00 55.95 57.25 1ek3 s SER 63 Cb -0.12 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1ek3 s SER 63 CO 0.02 -0.23 -0.24 -0.83 0.98 0.00 0.00 173.24 172.94 1ek3 s GLY 64 N -0.24 1.55 0.26 7.32 0.00 -1.26 -0.50 107.32 114.46 1ek3 s GLY 64 Ca -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 44.72 43.30 1ek3 s GLY 64 CO 0.02 -1.30 0.30 -1.35 0.00 0.00 0.00 173.10 170.77 1ek3 s SER 65 N -1.76 0.55 0.00 1.64 1.04 -0.14 -4.19 113.70 110.84 1ek3 s SER 65 Ca 0.14 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.18 1ek3 s SER 65 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1ek3 s SER 65 CO 0.06 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1ek3 n GLY 66 N -0.42 2.19 3.46 7.32 0.00 -1.26 -1.02 105.19 115.45 1ek3 n GLY 66 Ca 0.02 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.84 1ek3 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ek3 s SER 67 N 0.00 -0.59 0.00 1.61 0.15 -0.98 -4.93 113.70 108.96 1ek3 s SER 67 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1ek3 s SER 67 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ek3 s SER 67 CO 0.00 -0.77 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ek3 n GLY 68 N 0.32 1.29 0.00 9.45 0.00 -1.26 -3.13 105.19 111.86 1ek3 n GLY 68 Ca -0.18 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1ek3 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ek3 n THR 69 N 0.00 0.00 -4.33 2.61 -2.24 -1.26 -4.23 114.28 104.84 1ek3 n THR 69 Ca 0.00 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 1ek3 n THR 69 Cb 0.00 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 68.62 1ek3 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1ek3 s ASP 70 N -1.36 3.48 0.18 3.42 1.11 -1.18 0.42 116.67 122.74 1ek3 s ASP 70 Ca 0.00 -0.54 0.04 0.00 0.18 0.00 0.00 52.55 52.23 1ek3 s ASP 70 Cb 0.00 -1.54 -0.05 0.00 1.07 0.00 0.00 42.92 42.40 1ek3 s ASP 70 CO 0.00 0.04 -0.05 -0.36 1.18 0.00 0.00 175.17 175.98 1ek3 s PHE 71 N 1.07 1.37 -0.05 4.23 0.40 -0.02 -2.32 117.98 122.66 1ek3 s PHE 71 Ca -0.01 -0.85 -0.03 0.00 -0.60 0.00 0.00 56.93 55.44 1ek3 s PHE 71 Cb -0.14 -0.75 0.02 0.00 0.51 0.00 0.00 43.02 42.66 1ek3 s PHE 71 CO -0.05 0.00 0.11 0.99 0.70 0.00 0.00 175.22 176.97 1ek3 s THR 72 N -3.40 -0.02 -0.16 0.64 2.01 -0.19 -1.01 115.64 113.51 1ek3 s THR 72 Ca 0.22 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.24 1ek3 s THR 72 Cb 0.04 -0.18 -0.03 0.00 0.01 0.00 0.00 72.50 72.34 1ek3 s THR 72 CO 0.04 0.03 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.77 1ek3 s LEU 73 N 0.48 3.44 -0.06 4.42 2.96 0.02 -0.97 118.68 128.97 1ek3 s LEU 73 Ca -0.04 -0.05 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1ek3 s LEU 73 Cb -0.05 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.80 1ek3 s LEU 73 CO -0.02 0.18 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.12 1ek3 s THR 74 N 0.30 1.53 -0.37 3.68 2.01 0.34 -0.85 115.64 122.28 1ek3 s THR 74 Ca -0.01 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1ek3 s THR 74 Cb -0.13 -1.33 0.08 0.00 0.01 0.00 0.00 72.50 71.12 1ek3 s THR 74 CO 0.02 0.44 0.13 -0.63 -0.69 0.00 0.00 174.62 173.89 1ek3 s ILE 75 N 0.26 3.26 0.20 1.82 1.01 0.26 -1.57 121.20 126.44 1ek3 s ILE 75 Ca -0.10 -1.74 -0.11 0.00 0.00 0.00 0.00 60.65 58.70 1ek3 s ILE 75 Cb -0.14 -3.08 0.11 0.00 0.01 0.00 0.00 42.46 39.36 1ek3 s ILE 75 CO 0.04 -0.45 1.78 0.77 0.00 0.00 0.00 174.94 177.08 1ek3 h SER 76 N 8.06 0.37 -3.02 3.58 4.64 -1.27 0.46 113.55 126.37 1ek3 h SER 76 Ca -0.17 0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.64 1ek3 h SER 76 Cb 1.06 -0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 62.72 1ek3 h SER 76 CO 0.64 0.24 -0.77 -0.55 -0.87 0.00 0.00 176.83 175.53 1ek3 s SER 77 N -5.49 3.74 0.10 4.97 0.15 -1.26 -2.99 113.70 112.91 1ek3 s SER 77 Ca -0.13 -1.43 -0.31 0.00 0.70 0.00 0.00 55.95 54.78 1ek3 s SER 77 Cb 0.15 -0.64 -0.08 0.00 -1.71 0.00 0.00 66.02 63.74 1ek3 s SER 77 CO 0.74 -0.42 1.52 -0.22 1.20 0.00 0.00 173.24 176.07 1ek3 s LEU 78 N 1.83 4.36 0.28 3.45 2.96 -0.37 -4.73 118.68 126.45 1ek3 s LEU 78 Ca 0.09 2.42 0.10 0.00 -0.22 0.00 0.00 54.13 56.51 1ek3 s LEU 78 Cb -0.17 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 1ek3 s LEU 78 CO -0.28 -0.78 -0.00 -1.10 -1.32 0.00 0.00 176.35 172.87 1ek3 s GLN 79 N 1.75 2.25 0.31 1.98 -1.52 -1.26 -0.91 119.66 122.26 1ek3 s GLN 79 Ca 0.69 -1.47 0.01 0.00 -1.95 0.00 0.00 55.36 52.64 1ek3 s GLN 79 Cb -0.39 -2.13 0.55 0.00 -0.22 0.00 0.00 33.01 30.82 1ek3 s GLN 79 CO 0.30 0.33 1.93 0.00 -0.25 0.00 0.00 175.29 177.60 1ek3 h ALA 80 N 1.87 1.52 0.00 6.09 0.00 -2.00 -0.79 119.26 125.96 1ek3 h ALA 80 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ek3 h ALA 80 Cb 1.25 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ek3 h ALA 80 CO 0.61 0.36 0.00 -0.85 0.00 0.00 0.00 179.25 179.37 1ek3 n GLU 81 N -4.47 0.00 0.00 0.00 0.28 -1.26 -1.97 120.64 113.22 1ek3 n GLU 81 Ca 0.12 0.32 0.12 0.00 -0.16 0.00 0.00 57.16 57.57 1ek3 n GLU 81 Cb 0.17 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 31.86 1ek3 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1ek3 n ASP 82 N -1.50 0.56 -4.61 -1.84 8.00 -0.30 -4.83 116.55 112.02 1ek3 n ASP 82 Ca 0.03 -0.34 -0.43 0.00 0.71 0.00 0.00 54.79 54.76 1ek3 n ASP 82 Cb 0.12 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1ek3 n ASP 82 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ek3 s VAL 83 N -2.87 3.17 0.02 2.53 1.01 -0.83 -4.83 120.40 118.61 1ek3 s VAL 83 Ca 0.15 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1ek3 s VAL 83 Cb 0.18 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.38 1ek3 s VAL 83 CO 0.64 -0.12 0.43 0.00 0.00 0.00 0.00 175.10 176.05 1ek3 n ALA 84 N 10.53 -1.18 -2.82 5.51 0.00 -1.10 -4.91 120.51 126.54 1ek3 n ALA 84 Ca 0.26 -0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1ek3 n ALA 84 Cb 0.45 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 1ek3 n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ek3 s VAL 85 N -2.21 4.62 -0.08 0.00 1.01 -0.61 -0.80 120.40 122.32 1ek3 s VAL 85 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1ek3 s VAL 85 Cb -0.01 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1ek3 s VAL 85 CO 0.01 0.51 -0.13 -0.31 0.00 0.00 0.00 175.10 175.17 1ek3 s TYR 86 N 0.01 2.77 0.04 5.22 1.51 -0.01 -0.40 117.35 126.48 1ek3 s TYR 86 Ca 0.05 -0.30 0.08 0.00 -1.01 0.00 0.00 57.07 55.88 1ek3 s TYR 86 Cb -0.12 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1ek3 s TYR 86 CO 0.01 0.07 -0.22 0.71 -1.11 0.00 0.00 175.55 175.01 1ek3 s TYR 87 N -0.36 1.90 0.17 2.71 2.02 -0.74 -0.20 117.35 122.86 1ek3 s TYR 87 Ca 0.04 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.38 1ek3 s TYR 87 Cb -0.12 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 1ek3 s TYR 87 CO 0.02 0.09 0.32 0.00 -1.57 0.00 0.00 175.55 174.41 1ek3 s GLN 89 N -3.36 0.11 -0.17 0.00 0.74 0.21 -0.99 119.66 116.19 1ek3 s GLN 89 Ca 0.35 0.36 -0.12 0.00 0.05 0.00 0.00 55.36 56.01 1ek3 s GLN 89 Cb -0.11 -0.15 -0.05 0.00 1.10 0.00 0.00 33.01 33.80 1ek3 s GLN 89 CO 0.29 -0.15 0.21 1.14 -0.55 0.00 0.00 175.29 176.23 1ek3 s GLN 90 N 1.07 4.17 -0.28 1.67 1.03 -0.73 -0.26 119.66 126.33 1ek3 s GLN 90 Ca -0.08 -0.05 0.08 0.00 0.04 0.00 0.00 55.36 55.34 1ek3 s GLN 90 Cb -0.10 -3.41 0.45 0.00 0.03 0.00 0.00 33.01 29.98 1ek3 s GLN 90 CO -0.06 0.31 1.25 2.48 -2.54 0.00 0.00 175.29 176.73 1ek3 n TYR 91 N 3.42 1.95 0.01 9.60 4.11 -0.59 -2.18 117.16 133.48 1ek3 n TYR 91 Ca -0.14 -2.03 -0.18 0.00 -0.00 0.00 0.00 57.90 55.55 1ek3 n TYR 91 Cb 0.52 -0.37 -0.11 0.00 -0.00 0.00 0.00 39.34 39.38 1ek3 n TYR 91 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1ek3 h TYR 92 N 1.80 0.65 -2.01 -3.48 3.20 -1.94 -3.46 116.97 111.73 1ek3 h TYR 92 Ca 0.27 -0.35 -0.43 0.00 3.14 0.00 0.00 58.73 61.36 1ek3 h TYR 92 Cb 1.37 -0.07 0.03 0.00 1.54 0.00 0.00 36.73 39.60 1ek3 h TYR 92 CO 0.86 1.18 -0.15 -1.54 -1.64 0.00 0.00 178.16 176.86 1ek3 s SER 93 N -6.80 5.50 -0.19 -2.11 1.04 -1.26 -5.07 113.70 104.81 1ek3 s SER 93 Ca -0.13 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.12 1ek3 s SER 93 Cb 0.04 -0.82 0.04 0.00 0.10 0.00 0.00 66.02 65.37 1ek3 s SER 93 CO 0.83 -0.92 -0.12 -0.89 0.98 0.00 0.00 173.24 173.12 1ek3 s THR 94 N -2.54 1.69 0.76 2.02 2.01 -1.26 -3.06 115.64 115.26 1ek3 s THR 94 Ca 0.55 -0.93 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 1ek3 s THR 94 Cb -0.10 -1.70 0.06 0.00 0.01 0.00 0.00 72.50 70.77 1ek3 s THR 94 CO 0.36 0.28 1.12 -2.16 -0.69 0.00 0.00 174.62 173.52 1ek3 s PRO 95 N 1.39 2.27 0.86 4.92 0.04 -1.26 -5.14 135.00 138.08 1ek3 s PRO 95 Ca 0.01 0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.07 1ek3 s PRO 95 Cb -0.15 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.48 1ek3 s PRO 95 CO -0.09 -1.36 1.09 -2.14 0.04 0.00 0.00 177.00 174.54 1ek3 s PRO 96 N -5.44 1.55 0.04 0.56 0.02 -1.17 -4.97 135.00 125.58 1ek3 s PRO 96 Ca 0.60 0.92 0.03 0.00 0.02 0.00 0.00 61.00 62.57 1ek3 s PRO 96 Cb -0.11 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1ek3 s PRO 96 CO 0.49 -2.07 -0.08 0.95 -0.33 0.00 0.00 177.00 175.95 1ek3 s THR 97 N -2.93 0.62 0.31 0.99 -4.23 -0.93 -5.00 115.64 104.48 1ek3 s THR 97 Ca 0.63 -0.93 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 1ek3 s THR 97 Cb -0.18 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 72.99 1ek3 s THR 97 CO 0.57 -0.24 0.48 -0.36 -0.54 0.00 0.00 174.62 174.53 1ek3 s PHE 98 N -1.08 3.46 0.60 3.99 0.08 -1.26 -1.78 117.98 121.99 1ek3 s PHE 98 Ca -0.06 0.19 -0.10 0.00 0.12 0.00 0.00 56.93 57.08 1ek3 s PHE 98 Cb -0.08 -1.79 0.14 0.00 -0.57 0.00 0.00 43.02 40.72 1ek3 s PHE 98 CO 0.01 0.22 0.76 0.41 -0.10 0.00 0.00 175.22 176.51 1ek3 n GLY 99 N -1.65 -1.59 0.15 4.36 0.00 -0.16 -4.76 105.19 101.54 1ek3 n GLY 99 Ca -0.06 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.43 1ek3 n GLY 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ek3 h GLY 100 N -1.17 0.00 0.00 -0.02 0.00 -1.91 -3.45 103.07 96.52 1ek3 h GLY 100 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1ek3 h GLY 100 CO 0.17 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.32 1ek3 n GLY 101 N 0.24 0.59 2.86 4.60 0.00 -1.26 -5.04 105.19 107.18 1ek3 n GLY 101 Ca 0.03 -1.56 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1ek3 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ek3 s THR 102 N -2.31 0.82 -0.12 2.61 2.01 0.72 -4.72 115.64 114.64 1ek3 s THR 102 Ca 0.00 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.55 1ek3 s THR 102 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 1ek3 s THR 102 CO 0.00 0.33 1.02 -0.75 -0.69 0.00 0.00 174.62 174.53 1ek3 s LYS 103 N 1.79 4.40 -0.15 4.92 2.20 -0.25 -0.83 119.74 131.80 1ek3 s LYS 103 Ca 0.05 1.40 -0.01 0.00 -0.36 0.00 0.00 55.97 57.05 1ek3 s LYS 103 Cb -0.12 -3.56 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 1ek3 s LYS 103 CO -0.07 -0.36 -0.11 0.08 -0.36 0.00 0.00 175.35 174.53 1ek3 s VAL 104 N 2.17 3.13 0.23 4.02 1.01 0.02 -0.72 120.40 130.25 1ek3 s VAL 104 Ca 0.48 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.87 1ek3 s VAL 104 Cb -0.18 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1ek3 s VAL 104 CO 0.17 0.50 0.01 -1.61 0.00 0.00 0.00 175.10 174.16 1ek3 s GLU 105 N 0.65 1.32 -0.16 2.72 2.02 -0.27 -2.69 118.70 122.29 1ek3 s GLU 105 Ca -0.06 -1.67 -0.14 0.00 0.02 0.00 0.00 54.97 53.12 1ek3 s GLU 105 Cb -0.15 -0.55 -0.05 0.00 0.10 0.00 0.00 34.13 33.48 1ek3 s GLU 105 CO 0.02 -0.12 0.31 0.42 0.02 0.00 0.00 175.26 175.91 1ek3 s ILE 106 N -3.47 5.29 -0.63 -1.63 -1.09 -1.26 -2.45 121.20 115.95 1ek3 s ILE 106 Ca 0.29 0.57 -0.20 0.00 -2.23 0.00 0.00 60.65 59.08 1ek3 s ILE 106 Cb 0.06 -3.65 0.10 0.00 -1.58 0.00 0.00 42.46 37.39 1ek3 s ILE 106 CO 0.09 0.37 0.80 -0.75 -1.23 0.00 0.00 174.94 174.22 1ek3 s LYS 107 N 0.56 3.10 0.00 2.79 2.47 0.89 -4.84 119.74 124.72 1ek3 s LYS 107 Ca 0.17 -1.24 0.29 0.00 -1.56 0.00 0.00 55.97 53.64 1ek3 s LYS 107 Cb -0.13 -4.30 1.34 0.00 -1.46 0.00 0.00 37.83 33.28 1ek3 s LYS 107 CO 0.04 -1.63 1.91 -2.13 0.16 0.00 0.00 175.35 173.70