#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek4 s LYS 2 N 0.00 3.37 0.18 2.12 3.01 -1.26 -5.05 119.74 122.11 1ek4 s LYS 2 Ca 0.00 1.55 -0.07 0.00 -1.01 0.00 0.00 55.97 56.44 1ek4 s LYS 2 Cb 0.00 -2.01 -0.06 0.00 -1.01 0.00 0.00 37.83 34.74 1ek4 s LYS 2 CO 0.00 -0.82 0.45 1.03 0.51 0.00 0.00 175.35 176.52 1ek4 s ARG 3 N -3.36 3.70 -0.06 1.68 0.52 -1.26 -4.68 118.95 115.50 1ek4 s ARG 3 Ca 0.71 0.08 0.04 0.00 -0.52 0.00 0.00 55.73 56.04 1ek4 s ARG 3 Cb -0.22 -2.77 -0.00 0.00 0.52 0.00 0.00 34.95 32.48 1ek4 s ARG 3 CO 0.27 0.41 -0.18 0.08 0.02 0.00 0.00 175.30 175.90 1ek4 s VAL 4 N -1.71 1.53 0.26 3.52 1.01 -1.26 -1.41 120.40 122.33 1ek4 s VAL 4 Ca 0.43 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ek4 s VAL 4 Cb -0.12 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 1ek4 s VAL 4 CO 0.23 0.44 -0.01 0.68 0.00 0.00 0.00 175.10 176.44 1ek4 s VAL 5 N 0.17 1.24 -0.21 2.92 -7.23 0.14 -0.83 120.40 116.59 1ek4 s VAL 5 Ca -0.08 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 57.99 1ek4 s VAL 5 Cb -0.13 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 1ek4 s VAL 5 CO 0.04 -0.27 -0.00 -0.63 -0.31 0.00 0.00 175.10 173.92 1ek4 s ILE 6 N -3.28 3.86 -0.30 -0.62 1.01 -0.53 -0.29 121.20 121.05 1ek4 s ILE 6 Ca 0.30 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1ek4 s ILE 6 Cb 0.05 -2.75 0.07 0.00 0.01 0.00 0.00 42.46 39.85 1ek4 s ILE 6 CO 0.11 0.42 0.96 0.35 0.00 0.00 0.00 174.94 176.77 1ek4 n THR 7 N 4.40 0.76 -3.59 2.92 -2.24 -0.63 -1.25 114.28 114.66 1ek4 n THR 7 Ca -0.17 -0.88 -0.07 0.00 -2.27 0.00 0.00 64.05 60.66 1ek4 n THR 7 Cb 0.52 0.64 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 1ek4 n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ek4 s GLY 8 N -0.82 -0.19 0.06 3.38 0.00 -1.26 -3.89 107.32 104.60 1ek4 s GLY 8 Ca 0.06 2.11 -0.10 0.00 0.00 0.00 0.00 44.72 46.79 1ek4 s GLY 8 CO 0.04 0.92 0.23 0.48 0.00 0.00 0.00 173.10 174.77 1ek4 s LEU 9 N -1.35 1.24 -0.05 0.66 0.05 -1.26 -1.01 118.68 116.95 1ek4 s LEU 9 Ca 0.03 -0.43 -0.14 0.00 0.05 0.00 0.00 54.13 53.64 1ek4 s LEU 9 Cb -0.01 1.11 0.03 0.00 -2.05 0.00 0.00 46.19 45.27 1ek4 s LEU 9 CO -0.03 -0.65 0.33 -0.83 -0.55 0.00 0.00 176.35 174.62 1ek4 s GLY 10 N -2.40 -0.19 -0.23 -3.48 0.00 -0.15 -3.37 107.32 97.49 1ek4 s GLY 10 Ca -0.01 0.54 -0.26 0.00 0.00 0.00 0.00 44.72 44.99 1ek4 s GLY 10 CO -0.07 0.35 0.74 -1.50 0.00 0.00 0.00 173.10 172.61 1ek4 s ILE 11 N -0.89 0.00 -0.23 0.90 2.07 -1.26 -1.42 121.20 120.37 1ek4 s ILE 11 Ca -0.10 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.13 1ek4 s ILE 11 Cb -0.04 -1.00 0.07 0.00 0.13 0.00 0.00 42.46 41.61 1ek4 s ILE 11 CO 0.03 0.00 0.01 -0.69 -1.91 0.00 0.00 174.94 172.39 1ek4 s VAL 12 N 0.11 0.95 0.32 4.00 1.01 -0.78 -3.07 120.40 122.93 1ek4 s VAL 12 Ca -0.02 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1ek4 s VAL 12 Cb -0.04 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1ek4 s VAL 12 CO 0.02 -0.24 0.24 -0.94 0.00 0.00 0.00 175.10 174.18 1ek4 s SER 13 N 1.65 1.53 0.60 3.32 1.04 -0.04 -0.91 113.70 120.87 1ek4 s SER 13 Ca -0.01 -1.69 0.35 0.00 0.48 0.00 0.00 55.95 55.08 1ek4 s SER 13 Cb -0.18 0.52 1.90 0.00 0.10 0.00 0.00 66.02 68.36 1ek4 s SER 13 CO -0.10 -1.01 2.22 0.77 0.98 0.00 0.00 173.24 176.10 1ek4 h SER 14 N 2.19 0.00 -0.33 7.02 4.64 -1.76 -2.61 113.55 122.70 1ek4 h SER 14 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1ek4 h SER 14 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ek4 h SER 14 CO 0.41 0.03 0.00 2.30 -0.87 0.00 0.00 176.83 178.70 1ek4 n ILE 15 N -3.40 2.11 0.00 0.95 -5.35 -1.26 -4.49 119.36 107.92 1ek4 n ILE 15 Ca -0.02 -1.65 0.00 0.00 -0.27 0.00 0.00 62.75 60.81 1ek4 n ILE 15 Cb 0.15 -0.11 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1ek4 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ek4 n GLY 16 N -0.12 3.76 1.04 3.28 0.00 -0.98 -3.89 105.19 108.28 1ek4 n GLY 16 Ca 0.21 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1ek4 n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ek4 n ASN 17 N 0.00 3.11 -3.58 1.61 3.02 -1.26 -0.86 115.26 117.30 1ek4 n ASN 17 Ca 0.00 -1.94 -0.05 0.00 -0.03 0.00 0.00 54.58 52.55 1ek4 n ASN 17 Cb 0.00 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 38.93 1ek4 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ek4 s ASN 18 N -1.47 -0.14 0.46 6.41 6.03 -1.18 -4.59 114.94 120.47 1ek4 s ASN 18 Ca 0.38 -0.63 0.20 0.00 -1.03 0.00 0.00 52.86 51.78 1ek4 s ASN 18 Cb 0.22 0.61 1.12 0.00 -3.03 0.00 0.00 41.25 40.17 1ek4 s ASN 18 CO 0.30 -1.17 1.97 0.06 -2.03 0.00 0.00 177.10 176.24 1ek4 h GLN 19 N 2.00 0.00 -0.29 3.55 3.07 -1.93 -1.70 115.11 119.82 1ek4 h GLN 19 Ca -0.25 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.43 1ek4 h GLN 19 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 1ek4 h GLN 19 CO 0.29 0.21 -0.05 1.96 0.09 0.00 0.00 178.83 181.33 1ek4 h GLN 20 N 0.00 0.55 -0.46 0.06 7.50 -1.99 0.71 115.11 121.48 1ek4 h GLN 20 Ca -0.00 -0.20 -0.08 0.00 0.50 0.00 0.00 58.65 58.86 1ek4 h GLN 20 Cb 0.45 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.93 1ek4 h GLN 20 CO 0.03 0.74 -0.04 0.93 -1.50 0.00 0.00 178.83 178.99 1ek4 h GLU 21 N 0.32 0.84 -0.54 1.46 5.08 -1.85 -2.29 114.58 117.58 1ek4 h GLU 21 Ca 0.08 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1ek4 h GLU 21 Cb 0.53 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1ek4 h GLU 21 CO 0.03 0.91 0.21 0.28 -1.00 0.00 0.00 179.01 179.43 1ek4 h VAL 22 N 0.68 1.22 -0.47 3.13 2.07 -1.24 -1.68 116.25 119.97 1ek4 h VAL 22 Ca 0.13 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1ek4 h VAL 22 Cb 0.55 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1ek4 h VAL 22 CO 0.03 0.27 0.27 0.25 0.02 0.00 0.00 177.57 178.41 1ek4 h LEU 23 N 0.74 0.44 -0.28 2.57 5.85 -0.73 -0.95 115.31 122.94 1ek4 h LEU 23 Ca 0.18 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.93 1ek4 h LEU 23 Cb 0.21 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1ek4 h LEU 23 CO -0.01 0.31 0.12 0.00 -0.34 0.00 0.00 178.44 178.52 1ek4 h ALA 24 N 1.21 0.33 -0.64 1.25 0.00 -1.12 -1.95 119.26 118.35 1ek4 h ALA 24 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ek4 h ALA 24 Cb 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ek4 h ALA 24 CO -0.09 -0.27 0.34 0.77 0.00 0.00 0.00 179.25 180.00 1ek4 h SER 25 N 0.27 0.80 -0.70 0.00 0.02 -0.95 -2.06 113.55 110.92 1ek4 h SER 25 Ca 0.12 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1ek4 h SER 25 Cb 0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 1ek4 h SER 25 CO -0.10 0.67 0.44 -0.07 -1.14 0.00 0.00 176.83 176.63 1ek4 h LEU 26 N 0.87 0.83 -1.03 5.07 3.38 -0.89 0.28 115.31 123.82 1ek4 h LEU 26 Ca 0.22 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1ek4 h LEU 26 Cb 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1ek4 h LEU 26 CO -0.03 0.63 -0.45 0.03 0.09 0.00 0.00 178.44 178.71 1ek4 h ARG 27 N 0.95 0.08 -0.01 1.13 3.08 -1.14 -3.06 114.38 115.41 1ek4 h ARG 27 Ca 0.25 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1ek4 h ARG 27 Cb -0.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ek4 h ARG 27 CO -0.05 0.51 -0.41 0.39 -1.07 0.00 0.00 179.97 179.34 1ek4 n GLU 28 N -4.00 0.59 -3.10 0.04 1.02 -0.79 -4.73 120.64 109.68 1ek4 n GLU 28 Ca -0.02 -0.38 -0.19 0.00 -0.02 0.00 0.00 57.16 56.55 1ek4 n GLU 28 Cb 0.48 -1.49 0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1ek4 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ek4 n GLY 29 N 1.41 -0.32 3.72 0.62 0.00 0.01 -4.95 105.19 105.67 1ek4 n GLY 29 Ca 0.09 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1ek4 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ek4 s ARG 30 N -5.74 4.59 0.34 1.61 3.52 -0.73 -5.01 118.95 117.53 1ek4 s ARG 30 Ca 0.35 1.37 -0.25 0.00 -0.13 0.00 0.00 55.73 57.07 1ek4 s ARG 30 Cb -0.15 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.71 1ek4 s ARG 30 CO 0.43 0.05 0.95 0.45 -0.81 0.00 0.00 175.30 176.37 1ek4 s SER 31 N 0.65 7.24 0.00 -2.12 0.15 -1.26 -4.79 113.70 113.56 1ek4 s SER 31 Ca 0.49 1.83 0.11 0.00 0.70 0.00 0.00 55.95 59.08 1ek4 s SER 31 Cb -0.21 -2.57 0.29 0.00 -1.71 0.00 0.00 66.02 61.81 1ek4 s SER 31 CO 0.28 -0.14 1.21 0.61 1.20 0.00 0.00 173.24 176.39 1ek4 n GLY 32 N 0.37 2.31 3.75 9.45 0.00 0.57 -4.96 105.19 116.68 1ek4 n GLY 32 Ca 0.03 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1ek4 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek4 s ILE 33 N -1.00 4.83 0.24 -0.61 -1.09 -1.26 -4.06 121.20 118.27 1ek4 s ILE 33 Ca 0.23 1.45 0.02 0.00 -2.23 0.00 0.00 60.65 60.11 1ek4 s ILE 33 Cb 0.12 -4.03 -0.05 0.00 -1.58 0.00 0.00 42.46 36.92 1ek4 s ILE 33 CO 0.16 0.38 0.07 0.42 -1.23 0.00 0.00 174.94 174.74 1ek4 s THR 34 N -0.03 0.62 0.25 2.92 -4.23 -0.49 -4.26 115.64 110.42 1ek4 s THR 34 Ca 0.35 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 1ek4 s THR 34 Cb -0.19 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.01 1ek4 s THR 34 CO 0.20 -0.10 0.98 0.12 -0.54 0.00 0.00 174.62 175.29 1ek4 s PHE 35 N -3.71 3.87 -0.29 3.99 5.36 -1.26 -1.62 117.98 124.33 1ek4 s PHE 35 Ca 0.35 1.86 -0.00 0.00 -0.96 0.00 0.00 56.93 58.18 1ek4 s PHE 35 Cb 0.07 -3.06 0.05 0.00 -0.34 0.00 0.00 43.02 39.75 1ek4 s PHE 35 CO 0.12 0.18 -0.04 0.45 -1.46 0.00 0.00 175.22 174.47 1ek4 s SER 36 N -1.11 4.74 0.38 6.13 0.15 0.64 -4.89 113.70 119.74 1ek4 s SER 36 Ca 0.42 -1.30 0.11 0.00 0.70 0.00 0.00 55.95 55.88 1ek4 s SER 36 Cb -0.27 -1.66 0.77 0.00 -1.71 0.00 0.00 66.02 63.14 1ek4 s SER 36 CO 0.34 -0.23 1.87 -0.61 1.20 0.00 0.00 173.24 175.81 1ek4 h GLN 37 N 7.93 0.09 0.11 5.44 5.75 -1.96 -2.57 115.11 129.90 1ek4 h GLN 37 Ca -0.21 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.26 1ek4 h GLN 37 Cb 1.06 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.60 1ek4 h GLN 37 CO 0.51 0.36 -0.05 1.49 -2.65 0.00 0.00 178.83 178.48 1ek4 h GLU 38 N 0.08 -0.15 -0.78 1.69 4.81 -1.96 -0.49 114.58 117.78 1ek4 h GLU 38 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ek4 h GLU 38 Cb 0.52 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.90 1ek4 h GLU 38 CO 0.04 0.00 0.49 -0.07 -0.73 0.00 0.00 179.01 178.74 1ek4 h LEU 39 N -0.27 0.91 -0.22 1.64 3.38 -1.85 -2.19 115.31 116.72 1ek4 h LEU 39 Ca -0.02 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ek4 h LEU 39 Cb 0.22 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ek4 h LEU 39 CO 0.03 0.69 0.09 0.50 0.09 0.00 0.00 178.44 179.83 1ek4 h LYS 40 N 1.06 0.33 0.00 1.13 3.64 -1.29 -2.70 116.57 118.73 1ek4 h LYS 40 Ca 0.28 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1ek4 h LYS 40 Cb -0.08 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1ek4 h LYS 40 CO -0.06 0.38 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.03 1ek4 h ASP 41 N 0.20 0.00 0.89 4.20 3.32 -0.87 -1.34 116.42 122.82 1ek4 h ASP 41 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ek4 h ASP 41 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ek4 h ASP 41 CO -0.01 0.03 0.00 0.77 -1.72 0.00 0.00 179.24 178.31 1ek4 h SER 42 N 0.00 0.00 0.00 6.45 4.64 -1.07 -3.46 113.55 120.11 1ek4 h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ek4 h SER 42 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ek4 h SER 42 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ek4 n GLY 43 N 0.02 0.93 3.80 -0.77 0.00 -0.51 -5.09 105.19 103.58 1ek4 n GLY 43 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1ek4 n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek4 s MET 44 N -0.96 1.87 -0.03 1.61 -1.94 -1.16 -4.99 119.30 113.69 1ek4 s MET 44 Ca 0.00 0.55 0.19 0.00 -1.71 0.00 0.00 55.69 54.71 1ek4 s MET 44 Cb 0.00 -1.90 -0.21 0.00 2.01 0.00 0.00 34.83 34.73 1ek4 s MET 44 CO 0.00 -1.75 0.54 0.54 -0.01 0.00 0.00 175.02 174.33 1ek4 n ARG 45 N -3.51 0.65 -3.29 2.03 1.74 -1.26 -4.75 116.66 108.27 1ek4 n ARG 45 Ca 0.07 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.81 1ek4 n ARG 45 Cb 0.57 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 30.28 1ek4 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ek4 s SER 46 N -5.37 6.48 -0.17 0.55 0.15 -1.26 -4.72 113.70 109.36 1ek4 s SER 46 Ca -0.06 0.58 0.16 0.00 0.70 0.00 0.00 55.95 57.32 1ek4 s SER 46 Cb 0.09 -2.27 0.38 0.00 -1.71 0.00 0.00 66.02 62.52 1ek4 s SER 46 CO 0.84 -0.17 1.24 1.41 1.20 0.00 0.00 173.24 177.76 1ek4 n HIS 47 N 4.89 0.27 -4.26 3.44 8.25 -1.26 -4.57 115.22 121.97 1ek4 n HIS 47 Ca -0.06 -1.16 -0.21 0.00 -0.26 0.00 0.00 57.72 56.03 1ek4 n HIS 47 Cb 0.50 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.25 1ek4 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1ek4 s VAL 48 N -3.00 1.35 0.18 1.59 -7.23 -1.26 -0.26 120.40 111.77 1ek4 s VAL 48 Ca 0.36 -1.34 -0.20 0.00 -1.81 0.00 0.00 61.98 58.99 1ek4 s VAL 48 Cb 0.32 -1.25 0.05 0.00 0.56 0.00 0.00 36.38 36.06 1ek4 s VAL 48 CO 0.01 -0.11 0.55 -1.66 -0.31 0.00 0.00 175.10 173.58 1ek4 s TRP 49 N -1.15 -0.31 -0.87 2.82 -2.14 -0.64 -4.45 118.94 112.20 1ek4 s TRP 49 Ca 0.02 0.01 -0.12 0.00 2.66 0.00 0.00 56.10 58.67 1ek4 s TRP 49 Cb -0.10 0.46 0.23 0.00 -3.10 0.00 0.00 33.47 30.96 1ek4 s TRP 49 CO 0.03 -0.88 0.81 0.20 -2.66 0.00 0.00 176.95 174.45 1ek4 s GLY 50 N -2.82 2.77 0.28 3.67 0.00 -0.33 -1.40 107.32 109.50 1ek4 s GLY 50 Ca 0.05 -3.44 -0.10 0.00 0.00 0.00 0.00 44.72 41.24 1ek4 s GLY 50 CO -0.08 1.26 0.61 0.54 0.00 0.00 0.00 173.10 175.43 1ek4 s ASN 51 N 1.81 6.60 -0.27 1.64 6.03 -1.26 -1.99 114.94 127.51 1ek4 s ASN 51 Ca 0.21 0.97 -0.28 0.00 -1.03 0.00 0.00 52.86 52.73 1ek4 s ASN 51 Cb -0.11 -2.25 0.01 0.00 -3.03 0.00 0.00 41.25 35.87 1ek4 s ASN 51 CO -0.08 -0.16 1.00 -0.69 -2.03 0.00 0.00 177.10 175.14 1ek4 s VAL 52 N -1.96 4.65 -1.29 3.54 1.01 -1.26 -4.26 120.40 120.83 1ek4 s VAL 52 Ca 0.48 1.78 -0.13 0.00 0.00 0.00 0.00 61.98 64.11 1ek4 s VAL 52 Cb -0.11 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.10 1ek4 s VAL 52 CO 0.23 -0.28 1.76 0.29 0.00 0.00 0.00 175.10 177.10 1ek4 n LYS 53 N 6.46 3.36 -3.64 2.72 4.76 -1.26 -4.88 118.16 125.68 1ek4 n LYS 53 Ca 0.10 -3.46 -0.07 0.00 -2.87 0.00 0.00 58.31 52.01 1ek4 n LYS 53 Cb 0.47 -3.11 -0.07 0.00 -1.84 0.00 0.00 35.03 30.48 1ek4 n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ek4 s LEU 54 N 1.47 -0.85 -0.41 -0.35 2.96 -1.26 -4.94 118.68 115.29 1ek4 s LEU 54 Ca 0.44 1.39 -0.23 0.00 -0.22 0.00 0.00 54.13 55.51 1ek4 s LEU 54 Cb 0.05 2.29 0.02 0.00 0.50 0.00 0.00 46.19 49.05 1ek4 s LEU 54 CO 0.00 -0.22 0.78 -0.62 -1.32 0.00 0.00 176.35 174.97 1ek4 s ASP 55 N 1.44 6.46 0.00 3.68 2.15 -1.26 -4.90 116.67 124.25 1ek4 s ASP 55 Ca -0.09 0.08 0.30 0.00 0.43 0.00 0.00 52.55 53.27 1ek4 s ASP 55 Cb -0.05 -2.39 1.54 0.00 -0.30 0.00 0.00 42.92 41.72 1ek4 s ASP 55 CO -0.17 -0.84 2.02 0.35 -0.17 0.00 0.00 175.17 176.37 1ek4 n THR 56 N 6.00 0.00 -1.67 1.71 -2.24 -1.26 -4.89 114.28 111.93 1ek4 n THR 56 Ca 0.02 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 61.25 1ek4 n THR 56 Cb 0.48 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1ek4 n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ek4 n THR 57 N -0.63 0.09 -0.87 4.28 -1.04 -1.26 -1.99 114.28 112.86 1ek4 n THR 57 Ca 0.21 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1ek4 n THR 57 Cb 0.21 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 1ek4 n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ek4 n GLY 58 N 3.56 0.46 0.10 3.41 0.00 -1.26 -4.86 105.19 106.60 1ek4 n GLY 58 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1ek4 n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek4 h LEU 59 N 0.00 0.00 -8.39 0.99 3.38 -1.74 -3.45 115.31 106.10 1ek4 h LEU 59 Ca 0.00 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 1ek4 h LEU 59 Cb 0.17 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.65 1ek4 h LEU 59 CO 0.00 0.02 -0.83 -0.63 0.09 0.00 0.00 178.44 177.08 1ek4 s ILE 60 N -3.12 1.44 0.29 1.22 1.01 -1.26 -5.10 121.20 115.68 1ek4 s ILE 60 Ca 0.10 -0.91 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 1ek4 s ILE 60 Cb 0.12 -1.23 -0.14 0.00 0.01 0.00 0.00 42.46 41.23 1ek4 s ILE 60 CO 0.62 0.30 1.05 -0.67 0.00 0.00 0.00 174.94 176.24 1ek4 n ASP 61 N 2.34 1.47 -0.13 3.58 2.03 -1.26 -4.67 116.55 119.91 1ek4 n ASP 61 Ca -0.16 1.18 -0.04 0.00 0.52 0.00 0.00 54.79 56.29 1ek4 n ASP 61 Cb 0.54 -1.31 0.04 0.00 -0.72 0.00 0.00 41.12 39.67 1ek4 n ASP 61 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ek4 h ARG 62 N 2.15 0.11 0.00 -0.67 3.08 -1.98 0.27 114.38 117.34 1ek4 h ARG 62 Ca -0.40 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1ek4 h ARG 62 Cb 1.33 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1ek4 h ARG 62 CO 0.61 0.07 0.00 1.63 -1.07 0.00 0.00 179.97 181.22 1ek4 n LYS 63 N -5.20 0.12 -0.13 0.04 5.02 -1.26 -2.49 118.16 114.26 1ek4 n LYS 63 Ca 0.03 0.44 -0.24 0.00 -2.02 0.00 0.00 58.31 56.52 1ek4 n LYS 63 Cb 0.22 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.35 1ek4 n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ek4 n VAL 64 N -2.01 1.52 0.33 -0.18 0.31 -0.43 -4.51 118.33 113.35 1ek4 n VAL 64 Ca 0.01 -0.47 0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1ek4 n VAL 64 Cb 0.15 -1.67 0.59 0.00 -0.91 0.00 0.00 33.84 32.00 1ek4 n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ek4 h VAL 65 N -0.52 0.00 0.00 2.52 3.04 -0.96 -3.13 116.25 117.20 1ek4 h VAL 65 Ca -0.64 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 1ek4 h VAL 65 Cb 1.75 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 1ek4 h VAL 65 CO -0.26 0.00 0.00 0.08 -1.01 0.00 0.00 177.57 176.38 1ek4 h ARG 66 N 0.00 0.00 -0.01 4.17 0.11 -1.72 -1.67 114.38 115.26 1ek4 h ARG 66 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ek4 h ARG 66 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1ek4 h ARG 66 CO 0.00 0.00 -0.42 1.19 0.10 0.00 0.00 179.97 180.84 1ek4 n PHE 67 N -2.95 0.00 -3.97 4.08 3.01 -1.18 -4.86 117.46 111.59 1ek4 n PHE 67 Ca -0.02 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1ek4 n PHE 67 Cb 0.14 -0.04 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 1ek4 n PHE 67 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1ek4 s MET 68 N -2.51 3.27 0.45 -1.08 -1.94 -0.63 -3.15 119.30 113.71 1ek4 s MET 68 Ca 0.20 -0.59 0.07 0.00 -1.71 0.00 0.00 55.69 53.67 1ek4 s MET 68 Cb 0.18 -2.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.11 1ek4 s MET 68 CO 0.57 0.56 0.40 -1.54 -0.01 0.00 0.00 175.02 175.00 1ek4 s SER 69 N -2.79 4.93 0.31 3.03 1.04 -1.26 -4.91 113.70 114.04 1ek4 s SER 69 Ca 0.33 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.91 1ek4 s SER 69 Cb -0.12 -0.29 0.59 0.00 0.10 0.00 0.00 66.02 66.30 1ek4 s SER 69 CO 0.27 -0.79 1.88 0.44 0.98 0.00 0.00 173.24 176.01 1ek4 h ASP 70 N 0.93 0.87 -0.48 7.02 3.32 -1.94 -1.61 116.42 124.53 1ek4 h ASP 70 Ca -0.40 0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.73 1ek4 h ASP 70 Cb 1.27 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 40.62 1ek4 h ASP 70 CO 0.57 0.50 0.21 0.00 -1.72 0.00 0.00 179.24 178.80 1ek4 h ALA 71 N 1.54 0.60 -0.32 3.45 0.00 -1.87 0.45 119.26 123.11 1ek4 h ALA 71 Ca 0.44 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 1ek4 h ALA 71 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ek4 h ALA 71 CO -0.20 -0.17 -0.26 0.77 0.00 0.00 0.00 179.25 179.40 1ek4 h SER 72 N 0.41 0.64 -0.25 0.00 0.02 -1.75 -1.99 113.55 110.63 1ek4 h SER 72 Ca 0.22 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1ek4 h SER 72 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1ek4 h SER 72 CO -0.20 0.88 0.07 0.40 -1.14 0.00 0.00 176.83 176.84 1ek4 h ILE 73 N 0.55 1.21 -0.75 3.27 2.04 -0.57 0.80 117.51 124.06 1ek4 h ILE 73 Ca 0.07 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1ek4 h ILE 73 Cb 0.73 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1ek4 h ILE 73 CO 0.06 0.22 0.37 1.88 0.00 0.00 0.00 178.15 180.68 1ek4 h TYR 74 N 0.24 1.06 -0.54 1.37 0.05 -0.84 -1.54 116.97 116.78 1ek4 h TYR 74 Ca 0.08 -0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.70 1ek4 h TYR 74 Cb 0.26 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1ek4 h TYR 74 CO 0.01 0.77 -0.10 0.00 -1.05 0.00 0.00 178.16 177.79 1ek4 h ALA 75 N 1.19 0.79 0.18 3.88 0.00 -1.22 -2.09 119.26 121.99 1ek4 h ALA 75 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ek4 h ALA 75 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ek4 h ALA 75 CO -0.04 0.67 -0.09 0.35 0.00 0.00 0.00 179.25 180.15 1ek4 h PHE 76 N 0.91 -0.23 -0.84 0.00 3.57 -0.50 0.18 116.94 120.02 1ek4 h PHE 76 Ca 0.14 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1ek4 h PHE 76 Cb 0.66 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1ek4 h PHE 76 CO 0.04 -0.12 0.55 -0.07 -2.23 0.00 0.00 178.31 176.48 1ek4 h LEU 77 N -0.28 0.91 -1.16 0.59 3.38 -1.27 -1.08 115.31 116.40 1ek4 h LEU 77 Ca -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ek4 h LEU 77 Cb 0.22 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1ek4 h LEU 77 CO 0.04 0.63 0.22 0.28 0.09 0.00 0.00 178.44 179.70 1ek4 h SER 78 N 1.07 0.74 -0.38 -0.43 0.02 -1.05 -2.37 113.55 111.14 1ek4 h SER 78 Ca 0.33 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 61.03 1ek4 h SER 78 Cb -0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1ek4 h SER 78 CO -0.11 0.67 -0.39 -0.03 -1.14 0.00 0.00 176.83 175.83 1ek4 h MET 79 N 0.80 0.94 -0.66 3.45 1.85 0.13 -1.33 114.93 120.11 1ek4 h MET 79 Ca 0.19 -0.50 0.05 0.00 -0.61 0.00 0.00 59.70 58.83 1ek4 h MET 79 Cb 0.16 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 1ek4 h MET 79 CO -0.02 1.15 0.38 0.93 -0.40 0.00 0.00 176.91 178.96 1ek4 h GLU 80 N 0.77 0.70 -0.45 0.39 5.08 -0.91 0.11 114.58 120.26 1ek4 h GLU 80 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ek4 h GLU 80 Cb 0.98 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 1ek4 h GLU 80 CO 0.10 0.46 0.19 1.96 -1.00 0.00 0.00 179.01 180.72 1ek4 h GLN 81 N 0.72 0.66 -0.68 2.33 4.20 -1.27 -2.44 115.11 118.62 1ek4 h GLN 81 Ca 0.28 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1ek4 h GLN 81 Cb 0.13 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1ek4 h GLN 81 CO -0.16 0.59 0.33 0.00 -0.67 0.00 0.00 178.83 178.92 1ek4 h ALA 82 N 1.04 0.87 -0.37 3.87 0.00 -0.55 0.37 119.26 124.50 1ek4 h ALA 82 Ca 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1ek4 h ALA 82 Cb 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1ek4 h ALA 82 CO -0.02 0.42 0.20 0.82 0.00 0.00 0.00 179.25 180.68 1ek4 h ILE 83 N 0.93 1.14 -0.51 0.00 2.04 -0.89 0.14 117.51 120.37 1ek4 h ILE 83 Ca 0.23 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1ek4 h ILE 83 Cb 0.10 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1ek4 h ILE 83 CO -0.03 0.15 0.08 0.00 0.00 0.00 0.00 178.15 178.34 1ek4 h ALA 84 N 1.07 0.68 -0.54 1.87 0.00 -1.21 -1.70 119.26 119.42 1ek4 h ALA 84 Ca 0.13 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1ek4 h ALA 84 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ek4 h ALA 84 CO -0.02 0.42 0.10 0.22 0.00 0.00 0.00 179.25 179.97 1ek4 h ASP 85 N 0.73 0.80 1.31 0.00 3.58 -0.65 -2.33 116.42 119.86 1ek4 h ASP 85 Ca 0.15 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ek4 h ASP 85 Cb 0.41 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1ek4 h ASP 85 CO 0.01 0.80 0.00 0.00 -2.88 0.00 0.00 179.24 177.18 1ek4 h ALA 86 N 1.30 1.00 -1.34 -0.78 0.00 -0.48 -3.45 119.26 115.51 1ek4 h ALA 86 Ca 0.17 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1ek4 h ALA 86 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ek4 h ALA 86 CO 0.00 0.00 -0.21 0.41 0.00 0.00 0.00 179.25 179.45 1ek4 n GLY 87 N 0.94 0.07 3.80 0.00 0.00 -0.67 -4.79 105.19 104.54 1ek4 n GLY 87 Ca 0.04 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 1ek4 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek4 s LEU 88 N -2.45 4.41 0.17 0.99 1.43 -1.00 -5.06 118.68 117.17 1ek4 s LEU 88 Ca 0.02 0.91 0.04 0.00 -1.03 0.00 0.00 54.13 54.07 1ek4 s LEU 88 Cb -0.01 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1ek4 s LEU 88 CO 0.03 0.22 0.23 -0.94 0.23 0.00 0.00 176.35 176.12 1ek4 s SER 89 N -0.52 5.94 0.28 2.29 1.04 -1.26 -4.76 113.70 116.71 1ek4 s SER 89 Ca 0.24 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.69 1ek4 s SER 89 Cb -0.16 -1.68 0.63 0.00 0.10 0.00 0.00 66.02 64.91 1ek4 s SER 89 CO 0.12 0.04 1.74 -0.65 0.98 0.00 0.00 173.24 175.47 1ek4 h PRO 90 N 2.08 0.55 0.00 4.02 0.11 -1.99 -0.56 132.00 136.21 1ek4 h PRO 90 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ek4 h PRO 90 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ek4 h PRO 90 CO 0.65 0.36 0.00 1.05 -0.21 0.00 0.00 178.00 179.85 1ek4 h GLU 91 N 0.57 0.00 0.09 1.05 9.09 -1.95 -0.36 114.58 123.06 1ek4 h GLU 91 Ca 0.51 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.62 1ek4 h GLU 91 Cb 0.83 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.91 1ek4 h GLU 91 CO -0.42 0.00 -1.66 0.00 0.05 0.00 0.00 179.01 176.98 1ek4 h ALA 92 N 2.00 0.33 0.00 1.06 0.00 -1.50 -3.42 119.26 117.73 1ek4 h ALA 92 Ca 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 54.91 53.58 1ek4 h ALA 92 Cb 0.11 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ek4 h ALA 92 CO 0.00 1.03 -2.01 2.48 0.00 0.00 0.00 179.25 180.75 1ek4 n TYR 93 N -3.87 0.05 -2.94 0.00 0.18 -1.12 -4.84 117.16 104.62 1ek4 n TYR 93 Ca -0.31 0.01 -0.34 0.00 1.88 0.00 0.00 57.90 59.15 1ek4 n TYR 93 Cb 0.91 -0.59 -0.07 0.00 -0.38 0.00 0.00 39.34 39.21 1ek4 n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1ek4 s GLN 94 N -3.38 4.22 -1.62 -3.48 -0.21 -0.16 -3.88 119.66 111.15 1ek4 s GLN 94 Ca -0.08 0.99 -0.15 0.00 0.02 0.00 0.00 55.36 56.13 1ek4 s GLN 94 Cb 0.13 -2.44 0.12 0.00 1.00 0.00 0.00 33.01 31.82 1ek4 s GLN 94 CO 0.89 0.13 0.85 0.09 -2.12 0.00 0.00 175.29 175.13 1ek4 n ASN 95 N -0.21 -3.75 -4.03 5.90 3.02 -0.16 -4.88 115.26 111.15 1ek4 n ASN 95 Ca 0.04 -0.91 -0.31 0.00 -0.03 0.00 0.00 54.58 53.36 1ek4 n ASN 95 Cb 0.53 -3.25 -0.15 0.00 -0.61 0.00 0.00 39.78 36.29 1ek4 n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ek4 s ASN 96 N -3.37 3.94 0.56 6.41 3.84 -1.25 -4.96 114.94 120.12 1ek4 s ASN 96 Ca 0.66 -1.15 0.35 0.00 0.21 0.00 0.00 52.86 52.93 1ek4 s ASN 96 Cb -0.35 -1.40 1.89 0.00 -0.55 0.00 0.00 41.25 40.84 1ek4 s ASN 96 CO 0.88 -0.17 2.06 -0.65 -2.79 0.00 0.00 177.10 176.44 1ek4 h PRO 97 N 7.87 0.00 -0.24 0.43 0.11 -1.92 -1.56 132.00 136.69 1ek4 h PRO 97 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 1ek4 h PRO 97 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ek4 h PRO 97 CO 0.47 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.80 1ek4 n ARG 98 N -2.78 1.96 -4.39 1.05 5.12 -1.26 -4.08 116.66 112.28 1ek4 n ARG 98 Ca -0.02 -1.44 -0.32 0.00 -1.93 0.00 0.00 57.85 54.13 1ek4 n ARG 98 Cb 0.13 -1.42 -0.16 0.00 -1.16 0.00 0.00 32.46 29.85 1ek4 n ARG 98 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ek4 s VAL 99 N -1.69 1.98 0.17 1.55 1.01 -0.59 -0.31 120.40 122.53 1ek4 s VAL 99 Ca 0.33 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ek4 s VAL 99 Cb 0.19 -1.78 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1ek4 s VAL 99 CO 0.27 0.53 0.03 0.61 0.00 0.00 0.00 175.10 176.54 1ek4 n GLY 100 N 4.35 3.86 3.14 4.51 0.00 -0.28 -0.80 105.19 119.97 1ek4 n GLY 100 Ca -0.20 -2.12 -0.11 0.00 0.00 0.00 0.00 46.02 43.58 1ek4 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ek4 s LEU 101 N 0.00 -0.03 -0.25 0.99 0.20 0.25 -1.24 118.68 118.60 1ek4 s LEU 101 Ca 0.04 0.72 -0.01 0.00 0.69 0.00 0.00 54.13 55.57 1ek4 s LEU 101 Cb 0.00 1.00 0.08 0.00 -0.43 0.00 0.00 46.19 46.84 1ek4 s LEU 101 CO 0.03 -0.20 0.04 -0.63 -0.29 0.00 0.00 176.35 175.30 1ek4 s ILE 102 N 1.71 0.93 -0.10 6.68 1.01 -0.36 -2.88 121.20 128.19 1ek4 s ILE 102 Ca -0.06 -1.07 -0.14 0.00 0.00 0.00 0.00 60.65 59.38 1ek4 s ILE 102 Cb -0.10 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.92 1ek4 s ILE 102 CO -0.10 -0.37 0.37 0.00 0.00 0.00 0.00 174.94 174.83 1ek4 s ALA 103 N 1.64 -0.91 0.21 9.38 0.00 -1.15 -2.53 121.76 128.39 1ek4 s ALA 103 Ca 0.02 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 1ek4 s ALA 103 Cb -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1ek4 s ALA 103 CO -0.14 -0.21 0.28 0.41 0.00 0.00 0.00 175.76 176.10 1ek4 n GLY 104 N 2.31 2.59 3.24 0.00 0.00 -1.08 -3.41 105.19 108.85 1ek4 n GLY 104 Ca -0.16 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.18 1ek4 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ek4 s SER 105 N -2.31 1.27 0.06 1.61 1.04 -1.26 -2.13 113.70 111.98 1ek4 s SER 105 Ca 0.18 -1.15 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 1ek4 s SER 105 Cb -0.00 0.10 -0.28 0.00 0.10 0.00 0.00 66.02 65.94 1ek4 s SER 105 CO 0.13 -0.54 1.06 1.23 0.98 0.00 0.00 173.24 176.10 1ek4 h GLY 106 N 2.71 0.28 -0.18 7.32 0.00 -1.82 -3.41 103.07 107.98 1ek4 h GLY 106 Ca -0.37 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1ek4 h GLY 106 CO 0.63 0.63 -0.09 0.61 0.00 0.00 0.00 176.54 178.32 1ek4 n GLY 107 N 1.56 1.33 7.00 4.60 0.00 -1.26 -4.73 105.19 113.69 1ek4 n GLY 107 Ca -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1ek4 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 108 N -0.48 2.74 2.50 -0.02 0.00 -1.26 -4.02 105.19 104.66 1ek4 n GLY 108 Ca 0.03 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1ek4 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ek4 s SER 109 N -4.00 1.59 0.38 1.61 0.15 -1.26 -4.67 113.70 107.51 1ek4 s SER 109 Ca 0.00 -2.45 0.06 0.00 0.70 0.00 0.00 55.95 54.27 1ek4 s SER 109 Cb 0.00 -0.06 0.79 0.00 -1.71 0.00 0.00 66.02 65.03 1ek4 s SER 109 CO 0.00 -0.22 2.00 -0.65 1.20 0.00 0.00 173.24 175.58 1ek4 h PRO 110 N 6.24 0.66 -0.13 5.44 0.11 -1.93 -1.63 132.00 140.76 1ek4 h PRO 110 Ca 0.15 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1ek4 h PRO 110 Cb 0.97 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1ek4 h PRO 110 CO 0.28 0.43 0.08 -0.09 -0.21 0.00 0.00 178.00 178.49 1ek4 h ARG 111 N 0.68 0.16 0.00 1.05 2.43 -1.93 -0.93 114.38 115.83 1ek4 h ARG 111 Ca 0.24 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 1ek4 h ARG 111 Cb 0.11 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1ek4 h ARG 111 CO -0.07 0.10 -0.23 0.74 -1.51 0.00 0.00 179.97 179.01 1ek4 h PHE 112 N 0.16 0.00 -0.26 2.20 -1.00 -1.83 -0.73 116.94 115.48 1ek4 h PHE 112 Ca 0.05 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.69 1ek4 h PHE 112 Cb -0.01 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.55 1ek4 h PHE 112 CO -0.08 0.23 -0.40 0.37 -1.61 0.00 0.00 178.31 176.83 1ek4 h GLN 113 N 0.00 0.72 -0.27 1.51 5.75 -1.09 -1.39 115.11 120.36 1ek4 h GLN 113 Ca -0.00 -0.43 -0.13 0.00 -0.15 0.00 0.00 58.65 57.93 1ek4 h GLN 113 Cb 1.04 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1ek4 h GLN 113 CO 0.03 1.06 -0.37 0.28 -2.65 0.00 0.00 178.83 177.18 1ek4 h VAL 114 N 0.46 1.29 -0.34 2.39 2.07 -1.09 -2.20 116.25 118.83 1ek4 h VAL 114 Ca 0.02 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1ek4 h VAL 114 Cb 0.99 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1ek4 h VAL 114 CO 0.09 0.48 0.22 0.15 0.02 0.00 0.00 177.57 178.53 1ek4 h PHE 115 N 0.50 0.41 -0.34 1.57 3.57 -0.97 0.20 116.94 121.88 1ek4 h PHE 115 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1ek4 h PHE 115 Cb 0.87 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ek4 h PHE 115 CO 0.04 0.26 0.19 0.78 -2.23 0.00 0.00 178.31 177.34 1ek4 h GLY 116 N 0.45 0.50 0.98 2.40 0.00 -1.07 0.09 103.07 106.42 1ek4 h GLY 116 Ca 0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1ek4 h GLY 116 CO -0.04 0.22 0.26 0.00 0.00 0.00 0.00 176.54 176.98 1ek4 h ALA 117 N 1.06 0.67 -0.49 3.60 0.00 -1.20 -0.17 119.26 122.74 1ek4 h ALA 117 Ca 0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ek4 h ALA 117 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ek4 h ALA 117 CO -0.02 0.22 0.17 -0.44 0.00 0.00 0.00 179.25 179.18 1ek4 h ASP 118 N 0.70 0.69 -0.39 0.00 3.45 -0.77 -2.49 116.42 117.61 1ek4 h ASP 118 Ca 0.18 -0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1ek4 h ASP 118 Cb 0.10 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.67 1ek4 h ASP 118 CO -0.02 0.70 0.12 0.00 -1.57 0.00 0.00 179.24 178.46 1ek4 h ALA 119 N 1.02 0.52 -0.66 3.45 0.00 -0.77 -2.86 119.26 119.95 1ek4 h ALA 119 Ca 0.16 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1ek4 h ALA 119 Cb 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ek4 h ALA 119 CO -0.01 0.17 0.44 1.98 0.00 0.00 0.00 179.25 181.83 1ek4 h MET 120 N 0.49 0.79 0.00 0.00 1.85 -0.93 -2.04 114.93 115.09 1ek4 h MET 120 Ca 0.13 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.17 1ek4 h MET 120 Cb 0.27 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.12 1ek4 h MET 120 CO -0.00 0.53 0.00 0.54 -0.40 0.00 0.00 176.91 177.57 1ek4 n ARG 121 N -4.45 0.41 -2.24 0.39 1.74 -0.95 -4.18 116.66 107.39 1ek4 n ARG 121 Ca 0.08 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.90 1ek4 n ARG 121 Cb 0.11 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.19 1ek4 n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ek4 s GLY 122 N -2.58 1.76 0.58 -0.13 0.00 -0.77 -4.97 107.32 101.21 1ek4 s GLY 122 Ca 0.28 -1.38 0.38 0.00 0.00 0.00 0.00 44.72 44.00 1ek4 s GLY 122 CO 0.46 -0.74 2.13 -0.56 0.00 0.00 0.00 173.10 174.39 1ek4 h PRO 123 N -1.04 0.00 -0.00 2.90 0.13 -1.88 -2.89 132.00 129.21 1ek4 h PRO 123 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1ek4 h PRO 123 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ek4 h PRO 123 CO 0.42 0.00 -0.27 0.54 -0.23 0.00 0.00 178.00 178.46 1ek4 n ARG 124 N -3.03 0.54 0.00 0.86 1.74 -1.26 -5.01 116.66 110.50 1ek4 n ARG 124 Ca -0.01 -0.28 0.00 0.00 -0.77 0.00 0.00 57.85 56.80 1ek4 n ARG 124 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1ek4 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ek4 n GLY 125 N 1.38 2.77 0.38 -0.13 0.00 -1.09 -2.02 105.19 106.47 1ek4 n GLY 125 Ca 0.11 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.30 1ek4 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek4 h LEU 126 N 0.00 0.56 -1.45 0.99 3.38 -1.86 -0.42 115.31 116.50 1ek4 h LEU 126 Ca 0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1ek4 h LEU 126 Cb 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1ek4 h LEU 126 CO 0.00 0.15 0.17 0.11 0.09 0.00 0.00 178.44 178.96 1ek4 h LYS 127 N 0.52 0.53 0.00 1.13 1.57 -1.80 -2.23 116.57 116.29 1ek4 h LYS 127 Ca 0.58 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 59.18 1ek4 h LYS 127 Cb 1.25 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 1ek4 h LYS 127 CO -0.33 0.43 -0.57 0.00 -0.57 0.00 0.00 179.45 178.42 1ek4 h ALA 128 N 1.65 0.72 -0.17 3.86 0.00 -1.11 -3.29 119.26 120.92 1ek4 h ALA 128 Ca 0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 1ek4 h ALA 128 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ek4 h ALA 128 CO -0.02 0.71 -0.08 0.28 0.00 0.00 0.00 179.25 180.15 1ek4 h VAL 129 N 0.00 1.31 0.00 0.00 2.07 -1.18 -3.48 116.25 114.97 1ek4 h VAL 129 Ca -0.01 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1ek4 h VAL 129 Cb 1.31 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1ek4 h VAL 129 CO 0.07 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1ek4 n GLY 130 N -0.01 -1.13 1.01 2.17 0.00 -1.09 -4.67 105.19 101.46 1ek4 n GLY 130 Ca -0.05 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.43 1ek4 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ek4 n PRO 131 N -1.23 2.36 -0.08 1.61 -0.04 -1.26 -4.40 135.00 131.97 1ek4 n PRO 131 Ca 0.00 -1.89 0.04 0.00 -0.04 0.00 0.00 63.50 61.61 1ek4 n PRO 131 Cb 0.00 -1.47 0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1ek4 n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ek4 n TYR 132 N 0.95 0.20 -0.04 0.54 4.01 -1.26 -4.71 117.16 116.85 1ek4 n TYR 132 Ca 0.17 -0.29 -0.09 0.00 -0.16 0.00 0.00 57.90 57.54 1ek4 n TYR 132 Cb 0.49 -0.02 0.08 0.00 -0.31 0.00 0.00 39.34 39.57 1ek4 n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ek4 h VAL 133 N 1.57 1.29 -0.17 -0.72 2.07 -1.83 -3.18 116.25 115.28 1ek4 h VAL 133 Ca 0.00 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.00 1ek4 h VAL 133 Cb 0.54 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1ek4 h VAL 133 CO 0.00 0.50 -0.03 0.58 0.02 0.00 0.00 177.57 178.64 1ek4 h VAL 134 N 0.55 0.85 0.00 2.57 2.07 -1.93 0.11 116.25 120.48 1ek4 h VAL 134 Ca 0.05 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1ek4 h VAL 134 Cb 0.91 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ek4 h VAL 134 CO 0.08 0.00 -0.12 0.71 0.02 0.00 0.00 177.57 178.26 1ek4 h THR 135 N 0.02 0.34 0.21 2.57 1.35 -1.82 0.62 112.91 116.20 1ek4 h THR 135 Ca 0.08 -0.77 -0.32 0.00 -0.55 0.00 0.00 66.41 64.85 1ek4 h THR 135 Cb 0.11 1.58 0.03 0.00 -1.73 0.00 0.00 68.15 68.15 1ek4 h THR 135 CO -0.16 0.12 -1.40 0.11 -0.25 0.00 0.00 175.52 173.94 1ek4 h LYS 136 N 0.00 0.49 0.00 4.72 1.57 -1.33 -3.39 116.57 118.63 1ek4 h LYS 136 Ca -0.00 -0.81 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 1ek4 h LYS 136 Cb 0.57 0.30 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1ek4 h LYS 136 CO 0.02 1.39 -1.45 0.00 -0.57 0.00 0.00 179.45 178.83 1ek4 n ALA 137 N -2.67 3.16 -1.76 3.86 0.00 0.33 -4.27 120.51 119.16 1ek4 n ALA 137 Ca -0.15 -0.45 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 1ek4 n ALA 137 Cb 1.07 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 19.67 1ek4 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 s MET 138 N -3.34 3.47 0.46 0.00 0.23 0.20 -3.99 119.30 116.33 1ek4 s MET 138 Ca -0.02 2.06 0.18 0.00 -1.03 0.00 0.00 55.69 56.89 1ek4 s MET 138 Cb 0.14 -2.38 1.16 0.00 -1.53 0.00 0.00 34.83 32.22 1ek4 s MET 138 CO 0.86 -0.87 1.96 0.00 -2.03 0.00 0.00 175.02 174.94 1ek4 h ALA 139 N 1.83 2.22 -0.34 3.16 0.00 -1.93 -0.88 119.26 123.31 1ek4 h ALA 139 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1ek4 h ALA 139 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ek4 h ALA 139 CO 0.59 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 178.32 1ek4 n SER 140 N -4.44 2.66 -0.22 0.00 3.41 -1.26 -4.53 113.62 109.24 1ek4 n SER 140 Ca 0.12 -2.21 0.02 0.00 -0.26 0.00 0.00 58.87 56.53 1ek4 n SER 140 Cb 0.52 -0.41 0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1ek4 n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ek4 h GLY 141 N 4.87 0.66 0.72 5.00 0.00 -1.39 -0.98 103.07 111.96 1ek4 h GLY 141 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.52 1ek4 h GLY 141 CO 0.11 -0.24 0.56 -2.08 0.00 0.00 0.00 176.54 174.89 1ek4 h VAL 142 N 0.08 1.05 0.10 4.60 2.07 -1.84 0.11 116.25 122.41 1ek4 h VAL 142 Ca 0.35 -0.35 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1ek4 h VAL 142 Cb 0.57 -0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ek4 h VAL 142 CO -0.61 0.18 -0.69 0.77 0.02 0.00 0.00 177.57 177.24 1ek4 h SER 143 N 1.01 0.44 -0.61 0.57 4.64 -1.43 -3.25 113.55 114.92 1ek4 h SER 143 Ca 0.39 -0.91 0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1ek4 h SER 143 Cb 0.17 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 1ek4 h SER 143 CO -0.17 1.31 0.37 0.00 -0.87 0.00 0.00 176.83 177.47 1ek4 h ALA 144 N 0.14 0.79 0.00 5.18 0.00 -1.05 0.22 119.26 124.54 1ek4 h ALA 144 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ek4 h ALA 144 Cb 1.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ek4 h ALA 144 CO 0.13 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ek4 n LEU 146 N -1.49 2.36 -0.09 0.00 4.32 -0.97 -4.40 117.00 116.73 1ek4 n LEU 146 Ca 0.05 0.02 0.04 0.00 -0.02 0.00 0.00 56.01 56.10 1ek4 n LEU 146 Cb 0.24 -0.56 0.37 0.00 -1.62 0.00 0.00 43.42 41.85 1ek4 n LEU 146 CO 0.19 0.63 1.19 0.00 -1.22 0.00 0.00 177.39 178.19 1ek4 h ALA 147 N -0.23 1.66 0.51 -1.18 0.00 -1.05 -2.39 119.26 116.58 1ek4 h ALA 147 Ca -0.40 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ek4 h ALA 147 Cb 1.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1ek4 h ALA 147 CO -0.14 0.29 -0.24 1.15 0.00 0.00 0.00 179.25 180.31 1ek4 h THR 148 N 0.70 0.12 0.00 0.00 2.02 -1.77 -0.30 112.91 113.69 1ek4 h THR 148 Ca 0.22 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 1ek4 h THR 148 Cb 0.02 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1ek4 h THR 148 CO -0.05 0.03 -0.24 1.55 0.37 0.00 0.00 175.52 177.17 1ek4 h PRO 149 N -1.13 0.00 -0.17 6.66 0.13 -1.76 -2.38 132.00 133.35 1ek4 h PRO 149 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ek4 h PRO 149 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1ek4 h PRO 149 CO 0.11 0.24 0.00 1.19 -0.23 0.00 0.00 178.00 179.31 1ek4 n PHE 150 N -4.03 0.22 -3.76 1.56 3.01 -0.90 -4.93 117.46 108.63 1ek4 n PHE 150 Ca -0.02 -0.11 -0.25 0.00 1.01 0.00 0.00 57.45 58.08 1ek4 n PHE 150 Cb 0.31 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.82 1ek4 n PHE 150 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ek4 n LYS 151 N 0.06 -5.51 -2.64 -1.08 4.76 -0.90 -4.66 118.16 108.19 1ek4 n LYS 151 Ca 0.12 0.64 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 1ek4 n LYS 151 Cb 0.22 -5.40 -0.04 0.00 -1.84 0.00 0.00 35.03 27.98 1ek4 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ek4 s ILE 152 N -3.48 4.38 -0.36 -0.18 -1.09 -0.14 -0.98 121.20 119.34 1ek4 s ILE 152 Ca 0.31 1.90 0.09 0.00 -2.23 0.00 0.00 60.65 60.72 1ek4 s ILE 152 Cb -0.15 -4.22 -0.10 0.00 -1.58 0.00 0.00 42.46 36.41 1ek4 s ILE 152 CO 0.81 0.26 0.35 1.41 -1.23 0.00 0.00 174.94 176.53 1ek4 n HIS 153 N 3.03 0.00 -0.16 3.97 8.25 -1.25 -4.87 115.22 124.19 1ek4 n HIS 153 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ek4 n HIS 153 Cb 0.49 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1ek4 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek4 n GLY 154 N 1.31 1.21 3.74 -1.41 0.00 0.02 -4.67 105.19 105.39 1ek4 n GLY 154 Ca 0.01 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 1ek4 n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ek4 s VAL 155 N 1.20 2.12 -0.29 1.61 -7.23 -1.26 -4.83 120.40 111.72 1ek4 s VAL 155 Ca 0.00 0.08 0.03 0.00 -1.81 0.00 0.00 61.98 60.28 1ek4 s VAL 155 Cb 0.00 -3.04 0.17 0.00 0.56 0.00 0.00 36.38 34.08 1ek4 s VAL 155 CO 0.00 -0.01 0.48 0.21 -0.31 0.00 0.00 175.10 175.47 1ek4 s ASN 156 N -1.22 -0.40 0.11 4.85 2.47 -1.25 -0.59 114.94 118.92 1ek4 s ASN 156 Ca 0.77 -0.08 -0.26 0.00 0.42 0.00 0.00 52.86 53.71 1ek4 s ASN 156 Cb -0.38 1.48 0.08 0.00 -1.45 0.00 0.00 41.25 40.98 1ek4 s ASN 156 CO 0.42 -0.33 1.06 -0.72 -3.72 0.00 0.00 177.10 173.82 1ek4 s TYR 157 N 2.66 -0.07 0.06 0.43 1.13 -1.14 -5.00 117.35 115.41 1ek4 s TYR 157 Ca 0.11 -0.19 0.07 0.00 -1.41 0.00 0.00 57.07 55.64 1ek4 s TYR 157 Cb -0.12 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1ek4 s TYR 157 CO -0.27 -0.69 -0.16 -1.12 -2.51 0.00 0.00 175.55 170.80 1ek4 s SER 158 N -3.04 4.00 -0.09 -0.18 0.01 -1.26 -2.94 113.70 110.20 1ek4 s SER 158 Ca 0.15 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1ek4 s SER 158 Cb 0.00 -0.69 -0.02 0.00 0.21 0.00 0.00 66.02 65.52 1ek4 s SER 158 CO 0.01 0.23 -0.14 -0.63 0.41 0.00 0.00 173.24 173.13 1ek4 s ILE 159 N -1.01 3.06 -0.02 1.44 1.01 -1.26 -4.96 121.20 119.45 1ek4 s ILE 159 Ca 0.16 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.16 1ek4 s ILE 159 Cb -0.11 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1ek4 s ILE 159 CO 0.08 0.56 -0.14 -0.55 0.00 0.00 0.00 174.94 174.88 1ek4 s SER 160 N -0.22 1.71 -0.38 3.58 0.15 -1.26 -4.25 113.70 113.03 1ek4 s SER 160 Ca 0.01 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.47 1ek4 s SER 160 Cb -0.13 -0.30 0.34 0.00 -1.71 0.00 0.00 66.02 64.22 1ek4 s SER 160 CO 0.03 0.15 1.32 -1.54 1.20 0.00 0.00 173.24 174.41 1ek4 n SER 161 N 2.91 -1.74 0.00 5.45 3.41 -1.26 -4.92 113.62 117.47 1ek4 n SER 161 Ca -0.16 -2.31 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1ek4 n SER 161 Cb 0.54 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.47 1ek4 n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ek4 n ALA 162 N -0.67 0.00 1.37 7.33 0.00 -1.26 -1.60 120.51 125.68 1ek4 n ALA 162 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1ek4 n ALA 162 Cb 0.82 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.93 1ek4 n ALA 162 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ek4 n SER 163 N 5.81 0.00 -0.46 0.00 7.64 -1.26 -2.37 113.62 122.97 1ek4 n SER 163 Ca 0.00 -0.62 0.07 0.00 1.01 0.00 0.00 58.87 59.33 1ek4 n SER 163 Cb 0.00 -0.04 0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1ek4 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ek4 n ALA 164 N -1.04 2.62 -0.07 -0.43 0.00 -0.63 -4.42 120.51 116.54 1ek4 n ALA 164 Ca 0.16 -0.57 -0.02 0.00 0.00 0.00 0.00 53.44 53.01 1ek4 n ALA 164 Cb 0.09 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 1ek4 n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ek4 n THR 165 N 0.48 -0.11 0.34 0.00 -1.04 -1.00 -1.56 114.28 111.40 1ek4 n THR 165 Ca 0.07 1.49 0.14 0.00 -2.04 0.00 0.00 64.05 63.71 1ek4 n THR 165 Cb 0.31 -1.95 0.58 0.00 -1.82 0.00 0.00 70.33 67.45 1ek4 n THR 165 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ek4 h SER 166 N 0.00 0.00 -0.03 8.00 4.64 -1.73 -2.21 113.55 122.22 1ek4 h SER 166 Ca 0.03 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 1ek4 h SER 166 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1ek4 h SER 166 CO -0.15 0.00 -0.66 0.00 -0.87 0.00 0.00 176.83 175.15 1ek4 h ALA 167 N 2.17 0.12 -0.20 5.18 0.00 -1.56 -2.69 119.26 122.28 1ek4 h ALA 167 Ca 0.00 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 1ek4 h ALA 167 Cb 0.35 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ek4 h ALA 167 CO 0.00 0.42 -0.15 0.45 0.00 0.00 0.00 179.25 179.97 1ek4 h HIS 168 N 0.05 0.35 -0.44 0.00 -0.00 -0.90 -1.17 115.15 113.03 1ek4 h HIS 168 Ca -0.07 -0.05 -0.02 0.00 -0.00 0.00 0.00 60.37 60.23 1ek4 h HIS 168 Cb 1.34 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1ek4 h HIS 168 CO 0.13 0.47 0.21 0.00 -0.00 0.00 0.00 177.93 178.74 1ek4 h ILE 170 N 0.58 1.23 -0.61 0.00 2.04 -1.12 -1.66 117.51 117.96 1ek4 h ILE 170 Ca 0.15 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 1ek4 h ILE 170 Cb 0.13 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1ek4 h ILE 170 CO -0.02 0.28 0.28 1.23 0.00 0.00 0.00 178.15 179.92 1ek4 h GLY 171 N 0.62 0.94 1.53 5.37 0.00 -0.88 -1.59 103.07 109.07 1ek4 h GLY 171 Ca 0.15 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1ek4 h GLY 171 CO -0.00 0.45 -0.13 -0.57 0.00 0.00 0.00 176.54 176.29 1ek4 h ASN 172 N 0.83 0.55 -0.45 0.19 -0.73 -0.61 -2.11 115.58 113.24 1ek4 h ASN 172 Ca 0.21 -0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1ek4 h ASN 172 Cb 0.13 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.55 1ek4 h ASN 172 CO -0.02 0.71 0.29 0.00 -0.37 0.00 0.00 177.43 178.03 1ek4 h ALA 173 N 1.35 0.58 -0.35 1.57 0.00 -0.79 -1.23 119.26 120.38 1ek4 h ALA 173 Ca 0.09 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ek4 h ALA 173 Cb 0.53 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1ek4 h ALA 173 CO 0.03 0.05 0.02 0.28 0.00 0.00 0.00 179.25 179.63 1ek4 h VAL 174 N 0.61 0.76 -0.95 0.00 2.07 -0.84 -1.92 116.25 115.98 1ek4 h VAL 174 Ca 0.16 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1ek4 h VAL 174 Cb -0.04 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 1ek4 h VAL 174 CO -0.03 0.02 0.62 -0.33 0.02 0.00 0.00 177.57 177.87 1ek4 h GLU 175 N 0.13 1.13 -0.60 1.57 5.08 -0.75 -0.13 114.58 121.00 1ek4 h GLU 175 Ca 0.17 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1ek4 h GLU 175 Cb 0.23 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1ek4 h GLU 175 CO -0.27 0.74 0.32 1.96 -1.00 0.00 0.00 179.01 180.77 1ek4 h GLN 176 N 1.16 0.84 -0.00 2.33 1.08 -0.46 0.20 115.11 120.25 1ek4 h GLN 176 Ca 0.39 -0.09 -0.25 0.00 -1.45 0.00 0.00 58.65 57.25 1ek4 h GLN 176 Cb 0.07 -0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1ek4 h GLN 176 CO -0.13 0.62 -0.99 0.82 -0.95 0.00 0.00 178.83 178.21 1ek4 h ILE 177 N 0.84 1.30 -0.16 2.54 2.04 -0.96 -1.70 117.51 121.41 1ek4 h ILE 177 Ca 0.21 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.81 1ek4 h ILE 177 Cb 0.04 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1ek4 h ILE 177 CO -0.03 0.68 -0.10 1.56 0.00 0.00 0.00 178.15 180.26 1ek4 h GLN 178 N 0.33 0.25 0.00 2.37 4.20 -0.67 -0.23 115.11 121.36 1ek4 h GLN 178 Ca -0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1ek4 h GLN 178 Cb 1.65 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1ek4 h GLN 178 CO 0.19 0.36 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 1ek4 n LEU 179 N -4.30 0.00 -0.16 1.46 4.77 0.02 -3.15 117.00 115.64 1ek4 n LEU 179 Ca -0.01 0.46 -0.02 0.00 -0.03 0.00 0.00 56.01 56.41 1ek4 n LEU 179 Cb 0.25 -0.46 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1ek4 n LEU 179 CO 0.38 -0.08 -0.02 0.61 -1.33 0.00 0.00 177.39 176.95 1ek4 n GLY 180 N 0.96 0.56 0.10 -0.72 0.00 -0.10 -4.93 105.19 101.06 1ek4 n GLY 180 Ca 0.07 -0.59 -0.00 0.00 0.00 0.00 0.00 46.02 45.50 1ek4 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ek4 h LYS 181 N 0.31 0.00 -4.38 1.61 1.57 -1.52 -3.48 116.57 110.68 1ek4 h LYS 181 Ca -0.04 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 1ek4 h LYS 181 Cb 0.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.32 1ek4 h LYS 181 CO 0.06 0.40 -0.71 -0.65 -0.57 0.00 0.00 179.45 177.98 1ek4 s GLN 182 N -2.91 0.56 -0.18 3.15 -1.52 -1.17 -4.75 119.66 112.85 1ek4 s GLN 182 Ca -0.01 -0.95 0.15 0.00 -1.95 0.00 0.00 55.36 52.60 1ek4 s GLN 182 Cb 0.08 -0.08 -0.22 0.00 -0.22 0.00 0.00 33.01 32.58 1ek4 s GLN 182 CO 0.79 -0.02 0.05 -0.25 -0.25 0.00 0.00 175.29 175.61 1ek4 n ASP 183 N 0.87 0.70 -3.83 5.90 8.00 0.58 -4.35 116.55 124.43 1ek4 n ASP 183 Ca -0.19 -0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1ek4 n ASP 183 Cb 0.57 0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 42.42 1ek4 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ek4 s ILE 184 N -2.43 -0.01 -0.04 0.53 1.01 -1.11 -1.17 121.20 117.98 1ek4 s ILE 184 Ca -0.10 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 1ek4 s ILE 184 Cb 0.05 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.43 1ek4 s ILE 184 CO 0.72 0.01 0.07 -0.69 0.00 0.00 0.00 174.94 175.05 1ek4 s VAL 185 N 0.23 -0.11 -0.17 2.92 1.01 -0.18 -1.12 120.40 122.98 1ek4 s VAL 185 Ca -0.02 0.34 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 1ek4 s VAL 185 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 1ek4 s VAL 185 CO -0.01 0.14 0.90 -0.36 0.00 0.00 0.00 175.10 175.78 1ek4 s PHE 186 N 1.78 3.42 -0.03 5.22 0.40 -0.37 -1.64 117.98 126.75 1ek4 s PHE 186 Ca -0.00 1.35 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 1ek4 s PHE 186 Cb -0.12 -3.10 -0.01 0.00 0.51 0.00 0.00 43.02 40.30 1ek4 s PHE 186 CO -0.03 -0.29 -0.15 0.00 0.70 0.00 0.00 175.22 175.45 1ek4 s ALA 187 N 2.36 1.28 0.00 5.36 0.00 -0.61 -1.23 121.76 128.93 1ek4 s ALA 187 Ca 0.41 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1ek4 s ALA 187 Cb -0.17 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.57 1ek4 s ALA 187 CO 0.12 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1ek4 n GLY 188 N 2.97 -0.80 0.00 0.00 0.00 -1.05 -0.97 105.19 105.34 1ek4 n GLY 188 Ca -0.16 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ek4 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 189 N 0.00 -1.61 3.64 -0.02 0.00 -0.67 -2.63 105.19 103.91 1ek4 n GLY 189 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1ek4 n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ek4 s GLY 190 N 0.00 0.07 -0.23 -0.02 0.00 -0.91 -1.60 107.32 104.63 1ek4 s GLY 190 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 1ek4 s GLY 190 CO 0.00 -0.30 0.57 1.85 0.00 0.00 0.00 173.10 175.22 1ek4 s GLU 191 N -3.92 0.58 0.77 2.90 2.56 0.02 -4.17 118.70 117.43 1ek4 s GLU 191 Ca 0.13 1.00 -0.12 0.00 0.00 0.00 0.00 54.97 55.99 1ek4 s GLU 191 Cb -0.02 0.10 0.05 0.00 2.00 0.00 0.00 34.13 36.26 1ek4 s GLU 191 CO 0.03 -0.14 1.13 -1.83 -0.56 0.00 0.00 175.26 173.88 1ek4 s GLU 192 N 1.38 2.34 -0.16 4.30 -1.05 -1.26 -1.67 118.70 122.58 1ek4 s GLU 192 Ca -0.09 0.36 0.00 0.00 -0.15 0.00 0.00 54.97 55.09 1ek4 s GLU 192 Cb -0.06 -1.97 0.03 0.00 -0.44 0.00 0.00 34.13 31.69 1ek4 s GLU 192 CO -0.15 -1.38 -0.09 -1.17 0.95 0.00 0.00 175.26 173.42 1ek4 s LEU 193 N -5.54 1.72 -0.02 1.83 2.96 -1.26 -4.70 118.68 113.67 1ek4 s LEU 193 Ca 0.60 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 53.62 1ek4 s LEU 193 Cb -0.12 -1.05 0.09 0.00 0.50 0.00 0.00 46.19 45.62 1ek4 s LEU 193 CO 0.51 -0.13 0.80 0.00 -1.32 0.00 0.00 176.35 176.21 1ek4 h TRP 195 N 2.40 0.28 -0.99 0.00 5.08 -1.97 -1.22 115.95 119.54 1ek4 h TRP 195 Ca -0.25 -0.03 0.20 0.00 1.08 0.00 0.00 58.89 59.89 1ek4 h TRP 195 Cb 1.21 -0.08 -0.10 0.00 -3.00 0.00 0.00 29.16 27.19 1ek4 h TRP 195 CO 0.29 0.38 0.62 0.93 -1.28 0.00 0.00 178.44 179.38 1ek4 h GLU 196 N 0.26 0.65 0.05 0.12 3.07 -1.96 -0.50 114.58 116.27 1ek4 h GLU 196 Ca 0.05 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.36 58.58 1ek4 h GLU 196 Cb 0.35 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1ek4 h GLU 196 CO 0.02 0.43 -1.60 -0.12 -1.40 0.00 0.00 179.01 176.33 1ek4 n MET 197 N -4.69 0.64 -0.35 2.33 1.56 -0.97 -4.43 117.12 111.21 1ek4 n MET 197 Ca 0.23 0.44 0.07 0.00 -0.27 0.00 0.00 57.70 58.17 1ek4 n MET 197 Cb 0.62 -1.72 0.25 0.00 2.15 0.00 0.00 33.22 34.51 1ek4 n MET 197 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ek4 h ALA 198 N -0.29 1.54 -0.14 -5.12 0.00 -0.90 -2.52 119.26 111.83 1ek4 h ALA 198 Ca -0.39 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.57 1ek4 h ALA 198 Cb 1.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1ek4 h ALA 198 CO -0.10 0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.48 1ek4 h GLU 200 N 0.00 0.19 -0.08 0.00 3.07 -1.68 0.02 114.58 116.09 1ek4 h GLU 200 Ca 0.07 -0.08 -0.21 0.00 -0.50 0.00 0.00 59.36 58.64 1ek4 h GLU 200 Cb 0.27 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1ek4 h GLU 200 CO -0.00 0.53 -0.76 0.74 -1.40 0.00 0.00 179.01 178.12 1ek4 h PHE 201 N 0.16 0.92 -0.61 4.33 0.04 -1.31 -2.90 116.94 117.56 1ek4 h PHE 201 Ca 0.02 -0.44 -0.04 0.00 2.80 0.00 0.00 57.97 60.31 1ek4 h PHE 201 Cb 0.73 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1ek4 h PHE 201 CO 0.01 1.26 0.23 0.22 -0.60 0.00 0.00 178.31 179.44 1ek4 h ASP 202 N 0.31 0.83 0.24 2.17 1.82 -1.18 -1.64 116.42 118.97 1ek4 h ASP 202 Ca -0.07 -0.11 -0.03 0.00 -0.39 0.00 0.00 57.03 56.42 1ek4 h ASP 202 Cb 1.41 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1ek4 h ASP 202 CO 0.15 0.75 -0.14 0.00 -1.61 0.00 0.00 179.24 178.39 1ek4 h ALA 203 N 1.37 1.50 -0.28 -0.78 0.00 -0.93 -0.92 119.26 119.22 1ek4 h ALA 203 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ek4 h ALA 203 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1ek4 h ALA 203 CO -0.02 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1ek4 n MET 204 N -3.99 2.21 -1.79 0.00 0.00 -0.76 -4.94 117.12 107.84 1ek4 n MET 204 Ca -0.02 -1.82 -0.09 0.00 0.00 0.00 0.00 57.70 55.77 1ek4 n MET 204 Cb 0.23 -1.47 -0.02 0.00 0.00 0.00 0.00 33.22 31.96 1ek4 n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ek4 n GLY 205 N 1.36 0.44 0.15 3.17 0.00 -0.35 -4.94 105.19 105.02 1ek4 n GLY 205 Ca 0.18 -0.56 0.11 0.00 0.00 0.00 0.00 46.02 45.75 1ek4 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 h ALA 206 N 0.25 0.67 -2.62 4.61 0.00 -1.54 -3.48 119.26 117.16 1ek4 h ALA 206 Ca -0.20 -0.03 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 1ek4 h ALA 206 Cb 0.92 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1ek4 h ALA 206 CO 0.26 0.04 -0.25 -0.51 0.00 0.00 0.00 179.25 178.79 1ek4 s LEU 207 N -5.68 4.21 0.19 0.00 1.43 -1.26 -1.83 118.68 115.75 1ek4 s LEU 207 Ca 0.02 0.66 -0.31 0.00 -1.03 0.00 0.00 54.13 53.48 1ek4 s LEU 207 Cb 0.08 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.79 1ek4 s LEU 207 CO 0.75 -0.02 1.40 -0.55 0.23 0.00 0.00 176.35 178.17 1ek4 s SER 208 N -2.58 6.76 0.00 2.29 0.15 -0.68 -4.66 113.70 114.98 1ek4 s SER 208 Ca 0.43 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.56 1ek4 s SER 208 Cb -0.12 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1ek4 s SER 208 CO 0.25 -0.65 0.00 0.35 1.20 0.00 0.00 173.24 174.39 1ek4 n THR 209 N 3.09 0.00 1.16 6.45 -2.24 -1.26 -4.37 114.28 117.11 1ek4 n THR 209 Ca 0.09 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1ek4 n THR 209 Cb 0.41 0.84 0.51 0.00 -2.10 0.00 0.00 70.33 69.99 1ek4 n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ek4 n LYS 210 N -0.59 0.27 -1.29 -0.78 5.02 -1.26 -4.24 118.16 115.28 1ek4 n LYS 210 Ca 0.00 -0.09 -0.04 0.00 -2.02 0.00 0.00 58.31 56.16 1ek4 n LYS 210 Cb 0.00 -1.50 0.12 0.00 -0.02 0.00 0.00 35.03 33.63 1ek4 n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ek4 n TYR 211 N -1.28 0.91 0.26 2.13 4.02 -1.26 -4.81 117.16 117.13 1ek4 n TYR 211 Ca 0.10 -1.64 0.11 0.00 -0.01 0.00 0.00 57.90 56.45 1ek4 n TYR 211 Cb 0.31 -0.26 0.72 0.00 -0.02 0.00 0.00 39.34 40.09 1ek4 n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1ek4 h ASN 212 N 1.47 0.00 1.80 7.72 2.35 -1.92 -2.27 115.58 124.73 1ek4 h ASN 212 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1ek4 h ASN 212 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1ek4 h ASN 212 CO 0.25 0.08 0.00 0.44 -1.65 0.00 0.00 177.43 176.55 1ek4 h ASP 213 N 0.00 0.00 -2.13 5.81 3.32 -1.94 -3.35 116.42 118.13 1ek4 h ASP 213 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1ek4 h ASP 213 Cb 0.17 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.31 1ek4 h ASP 213 CO 0.01 0.00 -0.87 0.35 -1.72 0.00 0.00 179.24 177.01 1ek4 n THR 214 N -3.10 0.68 -0.32 0.35 -2.24 -0.86 -5.00 114.28 103.78 1ek4 n THR 214 Ca 0.03 -4.54 0.17 0.00 -2.27 0.00 0.00 64.05 57.45 1ek4 n THR 214 Cb 0.48 -2.02 0.35 0.00 -2.10 0.00 0.00 70.33 67.05 1ek4 n THR 214 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ek4 h PRO 215 N 4.17 0.07 0.00 -0.78 0.11 -1.68 -0.87 132.00 133.01 1ek4 h PRO 215 Ca 0.14 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1ek4 h PRO 215 Cb 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1ek4 h PRO 215 CO 0.63 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.85 1ek4 n GLU 216 N -5.37 0.04 -0.06 1.05 1.02 -1.26 -2.73 120.64 113.34 1ek4 n GLU 216 Ca 0.26 0.22 0.06 0.00 -0.02 0.00 0.00 57.16 57.68 1ek4 n GLU 216 Cb 0.84 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.84 1ek4 n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ek4 n LYS 217 N -1.46 1.33 -0.04 3.49 5.02 -0.33 -4.66 118.16 121.51 1ek4 n LYS 217 Ca 0.04 -1.47 -0.12 0.00 -2.02 0.00 0.00 58.31 54.74 1ek4 n LYS 217 Cb 0.16 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 33.87 1ek4 n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ek4 h ALA 218 N 2.21 0.15 -1.74 7.82 0.00 -1.55 -3.39 119.26 122.76 1ek4 h ALA 218 Ca 0.00 -0.22 -0.57 0.00 0.00 0.00 0.00 54.91 54.13 1ek4 h ALA 218 Cb 0.56 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 1ek4 h ALA 218 CO 0.00 -0.12 0.88 0.45 0.00 0.00 0.00 179.25 180.47 1ek4 s SER 219 N -5.79 6.60 -0.37 0.00 0.15 -1.26 -4.75 113.70 108.28 1ek4 s SER 219 Ca -0.14 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.01 1ek4 s SER 219 Cb 0.05 -2.54 0.35 0.00 -1.71 0.00 0.00 66.02 62.17 1ek4 s SER 219 CO 0.71 -1.24 0.73 -2.11 1.20 0.00 0.00 173.24 172.53 1ek4 n ARG 220 N 7.79 0.96 -1.57 5.44 1.85 -1.26 -4.62 116.66 125.25 1ek4 n ARG 220 Ca 0.11 -3.35 -0.52 0.00 -1.00 0.00 0.00 57.85 53.09 1ek4 n ARG 220 Cb 0.49 -1.68 -0.06 0.00 -1.05 0.00 0.00 32.46 30.17 1ek4 n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1ek4 n THR 221 N 0.33 0.35 0.00 8.89 -1.04 -1.26 -0.93 114.28 120.62 1ek4 n THR 221 Ca 0.25 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.17 1ek4 n THR 221 Cb 0.66 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1ek4 n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ek4 n TYR 222 N 1.96 0.00 -2.41 -1.42 4.01 -1.26 -4.77 117.16 113.26 1ek4 n TYR 222 Ca 0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.51 1ek4 n TYR 222 Cb 0.19 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1ek4 n TYR 222 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ek4 s ASP 223 N -3.75 7.18 0.57 7.72 2.15 -0.10 -1.49 116.67 128.94 1ek4 s ASP 223 Ca 0.00 2.32 0.27 0.00 0.43 0.00 0.00 52.55 55.57 1ek4 s ASP 223 Cb 0.00 -2.63 1.52 0.00 -0.30 0.00 0.00 42.92 41.51 1ek4 s ASP 223 CO 0.00 -0.23 2.02 0.00 -0.17 0.00 0.00 175.17 176.79 1ek4 h ALA 224 N 3.96 2.12 -0.58 3.66 0.00 -0.18 -2.46 119.26 125.77 1ek4 h ALA 224 Ca -0.47 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.10 1ek4 h ALA 224 Cb 1.21 0.03 -0.19 0.00 0.00 0.00 0.00 17.79 18.84 1ek4 h ALA 224 CO 0.68 -0.50 0.10 0.72 0.00 0.00 0.00 179.25 180.25 1ek4 n HIS 225 N -3.98 1.84 -2.04 0.00 8.25 -1.26 -5.01 115.22 113.03 1ek4 n HIS 225 Ca 0.06 -1.84 -0.34 0.00 -0.26 0.00 0.00 57.72 55.33 1ek4 n HIS 225 Cb 0.49 -0.67 0.02 0.00 1.12 0.00 0.00 29.99 30.95 1ek4 n HIS 225 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1ek4 s ARG 226 N -3.34 3.09 -0.01 -0.41 1.70 -0.93 -4.98 118.95 114.07 1ek4 s ARG 226 Ca 0.50 1.56 0.25 0.00 -0.47 0.00 0.00 55.73 57.56 1ek4 s ARG 226 Cb 0.43 -1.97 0.41 0.00 -0.57 0.00 0.00 34.95 33.25 1ek4 s ARG 226 CO 0.02 -1.05 1.16 -0.40 -1.08 0.00 0.00 175.30 173.95 1ek4 n ASP 227 N -1.76 0.93 0.00 -2.89 5.75 -1.26 -4.69 116.55 112.64 1ek4 n ASP 227 Ca 0.11 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1ek4 n ASP 227 Cb 0.51 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 1ek4 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ek4 n GLY 228 N 0.43 3.10 3.92 6.12 0.00 -0.81 -3.84 105.19 114.11 1ek4 n GLY 228 Ca 0.04 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.84 1ek4 n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ek4 s PHE 229 N -2.36 3.18 -0.28 1.61 -0.12 -0.76 -3.87 117.98 115.39 1ek4 s PHE 229 Ca 0.00 0.60 -0.07 0.00 -0.05 0.00 0.00 56.93 57.41 1ek4 s PHE 229 Cb 0.00 -2.83 0.00 0.00 -0.63 0.00 0.00 43.02 39.56 1ek4 s PHE 229 CO 0.00 -0.94 0.07 0.08 -0.05 0.00 0.00 175.22 174.38 1ek4 s VAL 230 N -3.04 4.01 0.44 -2.49 1.01 -1.26 -1.68 120.40 117.39 1ek4 s VAL 230 Ca 0.55 -0.58 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1ek4 s VAL 230 Cb -0.11 -3.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 1ek4 s VAL 230 CO 0.45 0.14 1.32 -0.51 0.00 0.00 0.00 175.10 176.50 1ek4 s ILE 231 N 1.52 2.48 0.20 2.22 2.07 -1.26 0.34 121.20 128.76 1ek4 s ILE 231 Ca 0.03 0.41 -0.04 0.00 -1.41 0.00 0.00 60.65 59.64 1ek4 s ILE 231 Cb -0.17 -3.23 -0.03 0.00 0.13 0.00 0.00 42.46 39.16 1ek4 s ILE 231 CO 0.02 0.04 0.21 0.00 -1.91 0.00 0.00 174.94 173.31 1ek4 s ALA 232 N -1.29 0.73 0.35 1.50 0.00 0.21 -1.18 121.76 122.07 1ek4 s ALA 232 Ca 0.61 -1.42 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1ek4 s ALA 232 Cb -0.38 1.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1ek4 s ALA 232 CO 0.49 -0.64 0.15 0.20 0.00 0.00 0.00 175.76 175.96 1ek4 s GLY 233 N -3.10 2.29 0.00 0.00 0.00 -0.84 -4.17 107.32 101.50 1ek4 s GLY 233 Ca 0.32 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.42 1ek4 s GLY 233 CO 0.09 -1.69 0.00 0.61 0.00 0.00 0.00 173.10 172.11 1ek4 n GLY 234 N -0.72 0.98 3.72 0.20 0.00 -0.67 -4.35 105.19 104.36 1ek4 n GLY 234 Ca -0.01 -1.90 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 1ek4 n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ek4 s GLY 235 N 0.00 0.29 -0.12 -0.02 0.00 -0.09 -0.80 107.32 106.57 1ek4 s GLY 235 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.77 1ek4 s GLY 235 CO 0.00 -0.38 0.92 -0.32 0.00 0.00 0.00 173.10 173.32 1ek4 s GLY 236 N -2.99 -0.35 -0.10 0.20 0.00 -0.63 -1.87 107.32 101.59 1ek4 s GLY 236 Ca 0.17 1.80 -0.14 0.00 0.00 0.00 0.00 44.72 46.55 1ek4 s GLY 236 CO 0.09 0.96 0.36 -0.29 0.00 0.00 0.00 173.10 174.21 1ek4 s MET 237 N -1.30 0.52 0.08 2.90 1.75 -0.51 -1.67 119.30 121.06 1ek4 s MET 237 Ca -0.03 0.29 0.05 0.00 -1.25 0.00 0.00 55.69 54.75 1ek4 s MET 237 Cb -0.00 0.25 -0.03 0.00 2.84 0.00 0.00 34.83 37.88 1ek4 s MET 237 CO 0.02 -0.10 -0.13 0.14 -0.65 0.00 0.00 175.02 174.30 1ek4 s VAL 238 N -0.32 1.05 -0.43 10.11 -7.23 -0.14 -0.98 120.40 122.46 1ek4 s VAL 238 Ca -0.05 -1.36 -0.18 0.00 -1.81 0.00 0.00 61.98 58.59 1ek4 s VAL 238 Cb -0.03 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.84 1ek4 s VAL 238 CO 0.02 -0.30 0.47 -0.69 -0.31 0.00 0.00 175.10 174.29 1ek4 s VAL 239 N -1.51 5.05 -0.19 1.32 1.01 -0.18 -1.57 120.40 124.33 1ek4 s VAL 239 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.46 1ek4 s VAL 239 Cb -0.09 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1ek4 s VAL 239 CO 0.02 -0.48 0.46 -0.69 0.00 0.00 0.00 175.10 174.42 1ek4 s VAL 240 N 2.23 5.15 0.02 2.92 1.01 -0.65 -1.60 120.40 129.48 1ek4 s VAL 240 Ca 0.13 0.85 0.01 0.00 0.00 0.00 0.00 61.98 62.97 1ek4 s VAL 240 Cb -0.17 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1ek4 s VAL 240 CO 0.14 0.23 -0.04 -0.70 0.00 0.00 0.00 175.10 174.72 1ek4 s GLU 241 N 1.37 0.35 0.18 2.72 2.12 0.61 -1.01 118.70 125.05 1ek4 s GLU 241 Ca 0.22 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 1ek4 s GLU 241 Cb -0.15 0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.17 1ek4 s GLU 241 CO 0.09 -0.02 1.23 -2.00 -0.54 0.00 0.00 175.26 174.01 1ek4 s GLU 242 N -1.44 4.46 0.16 4.30 -6.30 -0.32 -0.69 118.70 118.87 1ek4 s GLU 242 Ca -0.14 1.91 -0.26 0.00 -2.50 0.00 0.00 54.97 53.98 1ek4 s GLU 242 Cb -0.10 -3.24 0.01 0.00 0.00 0.00 0.00 34.13 30.81 1ek4 s GLU 242 CO -0.01 -0.14 1.58 1.25 0.02 0.00 0.00 175.26 177.96 1ek4 h LEU 243 N 5.38 -1.40 -1.17 2.70 5.85 -1.59 -1.44 115.31 123.64 1ek4 h LEU 243 Ca -0.44 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1ek4 h LEU 243 Cb 1.21 0.62 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1ek4 h LEU 243 CO 0.76 -0.36 0.36 -0.33 -0.34 0.00 0.00 178.44 178.53 1ek4 h GLU 244 N -0.31 0.93 -0.75 1.25 4.39 -1.93 -0.35 114.58 117.82 1ek4 h GLU 244 Ca 0.15 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.71 1ek4 h GLU 244 Cb 0.58 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1ek4 h GLU 244 CO -0.59 0.69 0.32 1.25 -1.16 0.00 0.00 179.01 179.52 1ek4 h HIS 245 N 0.94 1.10 -0.19 4.33 2.76 -1.80 0.70 115.15 123.00 1ek4 h HIS 245 Ca 0.24 -0.07 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 1ek4 h HIS 245 Cb 0.04 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.66 1ek4 h HIS 245 CO 0.01 0.82 -0.16 0.00 -1.30 0.00 0.00 177.93 177.30 1ek4 h ALA 246 N 1.27 0.27 -0.58 5.26 0.00 -0.47 -2.95 119.26 122.07 1ek4 h ALA 246 Ca 0.25 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ek4 h ALA 246 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ek4 h ALA 246 CO -0.03 0.17 0.11 -0.07 0.00 0.00 0.00 179.25 179.44 1ek4 h LEU 247 N 0.11 0.87 -1.62 0.00 3.38 -0.85 -1.30 115.31 115.89 1ek4 h LEU 247 Ca 0.03 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1ek4 h LEU 247 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1ek4 h LEU 247 CO 0.04 0.86 -0.12 0.00 0.09 0.00 0.00 178.44 179.32 1ek4 h ALA 248 N 1.25 1.69 -0.52 1.53 0.00 -0.82 -2.46 119.26 119.93 1ek4 h ALA 248 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ek4 h ALA 248 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ek4 h ALA 248 CO 0.00 0.23 0.00 2.89 0.00 0.00 0.00 179.25 182.38 1ek4 n ARG 249 N -4.35 2.60 -2.62 0.00 1.85 -1.06 -4.95 116.66 108.13 1ek4 n ARG 249 Ca -0.02 -2.44 -0.14 0.00 -1.00 0.00 0.00 57.85 54.25 1ek4 n ARG 249 Cb 0.22 -1.53 0.02 0.00 -1.05 0.00 0.00 32.46 30.11 1ek4 n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ek4 n GLY 250 N 1.55 -0.11 3.76 2.89 0.00 -0.93 -4.99 105.19 107.37 1ek4 n GLY 250 Ca 0.21 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1ek4 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 s ALA 251 N -2.87 2.36 -0.21 4.61 0.00 -0.52 -4.99 121.76 120.14 1ek4 s ALA 251 Ca 0.14 0.62 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1ek4 s ALA 251 Cb -0.06 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1ek4 s ALA 251 CO 0.18 -1.45 0.70 -1.58 0.00 0.00 0.00 175.76 173.60 1ek4 s HIS 252 N -2.27 3.36 -0.28 0.00 5.65 -1.26 -4.87 115.29 115.62 1ek4 s HIS 252 Ca 0.68 1.00 -0.09 0.00 0.25 0.00 0.00 55.06 56.91 1ek4 s HIS 252 Cb -0.22 -2.88 -0.03 0.00 -1.18 0.00 0.00 32.58 28.27 1ek4 s HIS 252 CO 0.43 -0.24 0.13 0.42 -0.65 0.00 0.00 174.74 174.83 1ek4 s ILE 253 N 2.17 4.72 -0.02 0.89 1.01 -1.26 -4.37 121.20 124.33 1ek4 s ILE 253 Ca 0.31 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.61 1ek4 s ILE 253 Cb -0.16 -3.28 -0.22 0.00 0.01 0.00 0.00 42.46 38.82 1ek4 s ILE 253 CO 0.10 0.24 1.10 1.88 0.00 0.00 0.00 174.94 178.26 1ek4 h TYR 254 N 8.31 0.35 -1.97 3.97 0.05 -1.52 -3.47 116.97 122.69 1ek4 h TYR 254 Ca -0.36 -0.17 0.24 0.00 0.05 0.00 0.00 58.73 58.49 1ek4 h TYR 254 Cb 1.17 -0.05 -0.10 0.00 1.01 0.00 0.00 36.73 38.77 1ek4 h TYR 254 CO 0.69 0.94 0.63 0.00 -1.05 0.00 0.00 178.16 179.36 1ek4 s ALA 255 N -3.37 -1.89 -0.09 3.88 0.00 -1.25 -4.70 121.76 114.33 1ek4 s ALA 255 Ca -0.15 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 52.18 1ek4 s ALA 255 Cb 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 1ek4 s ALA 255 CO 0.76 -1.03 0.00 -2.00 0.00 0.00 0.00 175.76 173.49 1ek4 s GLU 256 N -2.93 3.08 -0.46 0.00 2.12 0.71 -1.45 118.70 119.77 1ek4 s GLU 256 Ca 0.13 -0.41 -0.24 0.00 0.36 0.00 0.00 54.97 54.81 1ek4 s GLU 256 Cb 0.01 -2.82 0.03 0.00 0.26 0.00 0.00 34.13 31.60 1ek4 s GLU 256 CO -0.01 0.66 0.85 0.42 -0.54 0.00 0.00 175.26 176.64 1ek4 s ILE 257 N -0.75 4.56 -1.58 -3.70 1.01 -0.01 -0.85 121.20 119.88 1ek4 s ILE 257 Ca 0.12 0.55 0.18 0.00 0.00 0.00 0.00 60.65 61.50 1ek4 s ILE 257 Cb -0.12 -4.38 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 1ek4 s ILE 257 CO 0.02 -0.79 0.91 1.33 0.00 0.00 0.00 174.94 176.41 1ek4 n VAL 258 N 6.26 0.00 -3.66 2.92 0.24 -0.65 -4.54 118.33 118.90 1ek4 n VAL 258 Ca 0.04 -0.29 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 1ek4 n VAL 258 Cb 0.48 1.19 -0.08 0.00 -1.47 0.00 0.00 33.84 33.97 1ek4 n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ek4 s GLY 259 N -2.15 -0.44 -0.17 7.63 0.00 -1.09 -4.79 107.32 106.31 1ek4 s GLY 259 Ca 0.14 1.51 -0.05 0.00 0.00 0.00 0.00 44.72 46.32 1ek4 s GLY 259 CO 0.49 1.26 0.33 -0.47 0.00 0.00 0.00 173.10 174.70 1ek4 s TYR 260 N -0.05 -0.60 0.00 1.90 5.04 -1.26 -1.16 117.35 121.22 1ek4 s TYR 260 Ca -0.03 1.09 0.06 0.00 -2.44 0.00 0.00 57.07 55.76 1ek4 s TYR 260 Cb -0.04 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.31 1ek4 s TYR 260 CO 0.02 -0.47 -0.19 0.20 -1.34 0.00 0.00 175.55 173.78 1ek4 s GLY 261 N 2.50 1.50 -0.15 8.97 0.00 0.09 -4.45 107.32 115.77 1ek4 s GLY 261 Ca 0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1ek4 s GLY 261 CO -0.11 -0.97 0.23 0.00 0.00 0.00 0.00 173.10 172.25 1ek4 s ALA 262 N -0.81 -0.40 0.34 3.20 0.00 -1.26 -1.24 121.76 121.59 1ek4 s ALA 262 Ca 0.13 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.77 1ek4 s ALA 262 Cb -0.10 -1.12 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1ek4 s ALA 262 CO 0.03 -0.86 0.27 0.95 0.00 0.00 0.00 175.76 176.14 1ek4 s THR 263 N 2.37 0.04 0.00 0.00 -4.23 -0.90 -4.99 115.64 107.92 1ek4 s THR 263 Ca 0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 1ek4 s THR 263 Cb -0.14 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1ek4 s THR 263 CO -0.10 0.00 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.38 1ek4 s SER 264 N -3.39 0.65 -0.01 3.99 0.15 -1.26 -1.18 113.70 112.65 1ek4 s SER 264 Ca 0.39 -0.14 -0.20 0.00 0.70 0.00 0.00 55.95 56.70 1ek4 s SER 264 Cb 0.02 -0.06 -0.25 0.00 -1.71 0.00 0.00 66.02 64.02 1ek4 s SER 264 CO 0.27 0.04 1.05 0.44 1.20 0.00 0.00 173.24 176.24 1ek4 h ASP 265 N 5.88 0.50 -5.31 5.45 3.32 -1.04 -3.44 116.42 121.77 1ek4 h ASP 265 Ca -0.29 -0.80 -0.36 0.00 0.02 0.00 0.00 57.03 55.60 1ek4 h ASP 265 Cb 1.19 -0.15 0.12 0.00 0.22 0.00 0.00 39.33 40.71 1ek4 h ASP 265 CO 0.49 1.24 -0.61 0.61 -1.72 0.00 0.00 179.24 179.25 1ek4 n GLY 266 N 1.18 -0.41 0.00 2.75 0.00 -1.26 -4.87 105.19 102.58 1ek4 n GLY 266 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ek4 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 n ALA 267 N -4.69 1.26 -2.81 4.61 0.00 -1.26 -5.13 120.51 112.49 1ek4 n ALA 267 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1ek4 n ALA 267 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1ek4 n ALA 267 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ek4 s ASP 268 N 1.00 5.77 0.27 0.00 2.15 -1.26 -5.03 116.67 119.56 1ek4 s ASP 268 Ca 0.00 0.12 0.11 0.00 0.43 0.00 0.00 52.55 53.21 1ek4 s ASP 268 Cb 0.00 -1.65 0.32 0.00 -0.30 0.00 0.00 42.92 41.30 1ek4 s ASP 268 CO 0.00 0.22 1.58 0.24 -0.17 0.00 0.00 175.17 177.04 1ek4 h MET 269 N 3.62 0.00 0.00 4.34 2.86 -1.99 -3.34 114.93 120.42 1ek4 h MET 269 Ca -0.48 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1ek4 h MET 269 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ek4 h MET 269 CO 0.66 0.63 -1.00 0.28 1.06 0.00 0.00 176.91 178.54 1ek4 n VAL 270 N -3.69 0.00 -4.34 -2.22 0.31 -1.26 -0.24 118.33 106.88 1ek4 n VAL 270 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 1ek4 n VAL 270 Cb 0.64 0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 33.63 1ek4 n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek4 s ALA 271 N -1.99 3.13 0.36 3.52 0.00 -1.26 -4.82 121.76 120.69 1ek4 s ALA 271 Ca 0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 1ek4 s ALA 271 Cb 0.00 -1.18 -0.09 0.00 0.00 0.00 0.00 23.12 21.85 1ek4 s ALA 271 CO 0.00 0.64 1.04 -1.25 0.00 0.00 0.00 175.76 176.19 1ek4 s PRO 272 N -1.64 4.34 0.25 0.00 0.04 -1.26 -4.28 135.00 132.45 1ek4 s PRO 272 Ca 0.19 1.54 0.20 0.00 0.04 0.00 0.00 61.00 62.97 1ek4 s PRO 272 Cb -0.11 -2.73 0.07 0.00 0.04 0.00 0.00 34.50 31.77 1ek4 s PRO 272 CO 0.10 0.01 1.22 0.66 0.04 0.00 0.00 177.00 179.04 1ek4 h SER 273 N 2.91 0.00 0.00 6.66 4.64 -1.95 -3.48 113.55 122.33 1ek4 h SER 273 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ek4 h SER 273 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1ek4 h SER 273 CO 0.64 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 177.42 1ek4 n GLY 274 N 1.21 2.05 0.28 -0.77 0.00 -1.26 -4.76 105.19 101.95 1ek4 n GLY 274 Ca -0.01 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 1ek4 n GLY 274 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ek4 h GLU 275 N 0.00 0.95 -0.32 1.61 4.22 -1.93 -1.77 114.58 117.34 1ek4 h GLU 275 Ca 0.00 -0.11 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1ek4 h GLU 275 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1ek4 h GLU 275 CO 0.00 0.71 -0.14 0.78 -2.18 0.00 0.00 179.01 178.18 1ek4 h GLY 276 N 0.93 0.60 1.52 1.92 0.00 -1.85 -2.71 103.07 103.49 1ek4 h GLY 276 Ca 0.24 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 1ek4 h GLY 276 CO -0.04 0.41 -0.23 0.00 0.00 0.00 0.00 176.54 176.68 1ek4 h ALA 277 N 1.34 1.06 -0.12 3.60 0.00 -1.82 -0.94 119.26 122.38 1ek4 h ALA 277 Ca 0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ek4 h ALA 277 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ek4 h ALA 277 CO 0.03 0.57 0.06 0.28 0.00 0.00 0.00 179.25 180.19 1ek4 h VAL 278 N 0.49 1.12 -0.52 0.00 2.07 -1.03 -1.04 116.25 117.35 1ek4 h VAL 278 Ca 0.07 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1ek4 h VAL 278 Cb 0.66 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1ek4 h VAL 278 CO 0.05 0.11 0.10 0.03 0.02 0.00 0.00 177.57 177.88 1ek4 h ARG 279 N 0.07 0.80 0.06 1.57 3.08 -1.32 -1.94 114.38 116.70 1ek4 h ARG 279 Ca 0.04 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ek4 h ARG 279 Cb 0.12 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1ek4 h ARG 279 CO -0.01 0.74 -0.03 0.00 -1.07 0.00 0.00 179.97 179.60 1ek4 h MET 281 N -0.33 1.14 -0.57 0.00 2.86 -1.13 -1.70 114.93 115.20 1ek4 h MET 281 Ca -0.01 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1ek4 h MET 281 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1ek4 h MET 281 CO 0.01 0.84 0.18 0.87 1.06 0.00 0.00 176.91 179.87 1ek4 h LYS 282 N 1.14 0.89 -0.82 1.72 1.57 -1.29 -1.87 116.57 117.91 1ek4 h LYS 282 Ca 0.29 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1ek4 h LYS 282 Cb 0.04 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1ek4 h LYS 282 CO -0.05 0.81 0.54 1.98 -0.57 0.00 0.00 179.45 182.16 1ek4 h MET 283 N 0.81 1.04 0.00 3.15 4.05 -0.75 -1.61 114.93 121.61 1ek4 h MET 283 Ca 0.18 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1ek4 h MET 283 Cb 0.29 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 1ek4 h MET 283 CO -0.01 0.69 0.00 0.00 0.23 0.00 0.00 176.91 177.82 1ek4 h ALA 284 N 1.32 1.00 -0.02 0.39 0.00 -0.98 -2.89 119.26 118.07 1ek4 h ALA 284 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ek4 h ALA 284 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ek4 h ALA 284 CO -0.09 0.00 -0.33 -1.33 0.00 0.00 0.00 179.25 177.50 1ek4 n MET 285 N -2.92 1.38 -1.86 0.00 2.00 -0.67 -4.17 117.12 110.89 1ek4 n MET 285 Ca 0.01 -1.09 -0.42 0.00 0.00 0.00 0.00 57.70 56.21 1ek4 n MET 285 Cb 0.31 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.02 1ek4 n MET 285 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1ek4 s HIS 286 N -2.37 2.49 0.00 2.03 2.46 -0.84 -1.60 115.29 117.45 1ek4 s HIS 286 Ca 0.22 0.28 0.00 0.00 0.47 0.00 0.00 55.06 56.03 1ek4 s HIS 286 Cb 0.19 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 1ek4 s HIS 286 CO 0.50 -4.10 0.00 0.41 -2.47 0.00 0.00 174.74 169.08 1ek4 n GLY 287 N 4.02 2.04 3.50 1.59 0.00 -1.26 -4.95 105.19 110.12 1ek4 n GLY 287 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ek4 n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek4 s VAL 288 N -3.05 4.64 -0.35 1.61 1.01 -0.63 -4.92 120.40 118.71 1ek4 s VAL 288 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1ek4 s VAL 288 Cb 0.00 -4.39 0.70 0.00 0.00 0.00 0.00 36.38 32.69 1ek4 s VAL 288 CO 0.00 -0.90 1.73 0.47 0.00 0.00 0.00 175.10 176.40 1ek4 n ASP 289 N 6.79 4.67 -4.39 3.32 8.00 -1.26 -4.88 116.55 128.81 1ek4 n ASP 289 Ca -0.01 -3.12 -0.29 0.00 0.71 0.00 0.00 54.79 52.08 1ek4 n ASP 289 Cb 0.47 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.71 1ek4 n ASP 289 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ek4 s THR 290 N -2.79 2.25 0.61 -3.53 -4.23 -1.26 -5.13 115.64 101.55 1ek4 s THR 290 Ca 0.51 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 1ek4 s THR 290 Cb 0.41 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 1ek4 s THR 290 CO 0.13 0.08 1.09 -2.16 -0.54 0.00 0.00 174.62 173.22 1ek4 s PRO 291 N -2.06 3.14 -0.29 3.99 0.04 -1.26 -4.98 135.00 133.58 1ek4 s PRO 291 Ca 0.14 1.35 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1ek4 s PRO 291 Cb -0.10 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1ek4 s PRO 291 CO 0.06 -0.97 1.03 0.42 0.04 0.00 0.00 177.00 177.58 1ek4 s ILE 292 N -2.28 4.59 0.04 0.56 -1.09 -1.26 -4.43 121.20 117.33 1ek4 s ILE 292 Ca 0.66 1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 60.82 1ek4 s ILE 292 Cb -0.19 -4.35 -0.27 0.00 -1.58 0.00 0.00 42.46 36.07 1ek4 s ILE 292 CO 0.36 -0.37 1.01 0.44 -1.23 0.00 0.00 174.94 175.15 1ek4 h ASP 293 N 7.92 0.32 -4.18 3.58 3.32 -1.13 -3.40 116.42 122.85 1ek4 h ASP 293 Ca -0.21 -0.39 -0.16 0.00 0.02 0.00 0.00 57.03 56.29 1ek4 h ASP 293 Cb 1.06 -0.10 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 1ek4 h ASP 293 CO 1.00 1.32 -0.44 -0.47 -1.72 0.00 0.00 179.24 178.93 1ek4 s TYR 294 N -2.64 -0.19 -0.12 4.55 5.04 -1.19 -2.83 117.35 119.96 1ek4 s TYR 294 Ca -0.05 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.01 1ek4 s TYR 294 Cb 0.07 0.06 0.02 0.00 0.35 0.00 0.00 41.96 42.47 1ek4 s TYR 294 CO 0.86 -0.18 -0.11 -1.17 -1.34 0.00 0.00 175.55 173.61 1ek4 s LEU 295 N -0.34 1.41 -0.56 6.97 0.20 -0.05 -0.97 118.68 125.35 1ek4 s LEU 295 Ca -0.04 -0.38 -0.20 0.00 0.69 0.00 0.00 54.13 54.20 1ek4 s LEU 295 Cb -0.03 -0.98 0.08 0.00 -0.43 0.00 0.00 46.19 44.83 1ek4 s LEU 295 CO 0.01 -0.08 0.72 0.21 -0.29 0.00 0.00 176.35 176.92 1ek4 s ASN 296 N 1.55 6.21 0.81 3.68 3.84 0.92 -2.85 114.94 129.09 1ek4 s ASN 296 Ca 0.04 -1.08 -0.11 0.00 0.21 0.00 0.00 52.86 51.92 1ek4 s ASN 296 Cb -0.13 -2.32 0.08 0.00 -0.55 0.00 0.00 41.25 38.32 1ek4 s ASN 296 CO -0.08 -1.07 1.09 -0.94 -2.79 0.00 0.00 177.10 173.30 1ek4 s SER 297 N 3.18 4.32 0.11 -4.21 1.04 -1.15 -1.91 113.70 115.08 1ek4 s SER 297 Ca 0.16 1.51 -0.15 0.00 0.48 0.00 0.00 55.95 57.95 1ek4 s SER 297 Cb -0.20 -2.25 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 1ek4 s SER 297 CO 0.10 -2.11 1.49 -0.74 0.98 0.00 0.00 173.24 172.96 1ek4 h HIS 298 N -1.18 0.81 -0.66 5.02 2.76 -1.93 -3.44 115.15 116.52 1ek4 h HIS 298 Ca -0.47 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.51 1ek4 h HIS 298 Cb 1.26 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1ek4 h HIS 298 CO 0.50 0.90 0.00 0.41 -1.30 0.00 0.00 177.93 178.44 1ek4 n GLY 299 N -0.07 0.00 0.08 5.26 0.00 -1.26 -4.85 105.19 104.35 1ek4 n GLY 299 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1ek4 n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ek4 n THR 300 N 0.18 0.00 -1.63 2.61 -2.24 -1.26 -4.53 114.28 107.42 1ek4 n THR 300 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1ek4 n THR 300 Cb 0.00 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1ek4 n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ek4 n SER 301 N -1.19 -1.16 -4.60 3.42 2.88 -1.26 -3.94 113.62 107.77 1ek4 n SER 301 Ca 0.09 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.31 1ek4 n SER 301 Cb 0.33 -0.35 -0.10 0.00 -0.75 0.00 0.00 64.21 63.34 1ek4 n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ek4 s THR 302 N -2.46 3.66 0.15 2.46 -4.23 -1.26 -1.93 115.64 112.03 1ek4 s THR 302 Ca 0.00 -0.83 -0.27 0.00 -1.18 0.00 0.00 61.69 59.42 1ek4 s THR 302 Cb 0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1ek4 s THR 302 CO 0.00 0.35 1.58 -0.65 -0.54 0.00 0.00 174.62 175.36 1ek4 h PRO 303 N 4.37 -0.31 0.03 3.99 0.11 -1.94 -2.65 132.00 135.59 1ek4 h PRO 303 Ca -0.48 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ek4 h PRO 303 Cb 1.17 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ek4 h PRO 303 CO 0.54 -0.21 -0.02 0.28 -0.21 0.00 0.00 178.00 178.38 1ek4 h VAL 304 N -0.33 1.13 -0.53 3.15 2.07 -1.99 -3.38 116.25 116.37 1ek4 h VAL 304 Ca 0.14 -1.70 0.11 0.00 0.82 0.00 0.00 66.70 66.07 1ek4 h VAL 304 Cb 0.58 2.07 -0.10 0.00 -1.52 0.00 0.00 31.29 32.32 1ek4 h VAL 304 CO -0.56 0.36 -0.08 1.23 0.02 0.00 0.00 177.57 178.54 1ek4 h GLY 305 N -0.95 0.45 0.20 2.17 0.00 -1.95 -1.70 103.07 101.30 1ek4 h GLY 305 Ca -0.00 0.13 0.08 0.00 0.00 0.00 0.00 47.33 47.54 1ek4 h GLY 305 CO 0.01 -0.19 -0.10 -0.55 0.00 0.00 0.00 176.54 175.71 1ek4 h ASP 306 N 0.04 -0.37 1.07 0.19 5.19 -1.66 -2.45 116.42 118.43 1ek4 h ASP 306 Ca 0.26 0.12 -0.14 0.00 -0.62 0.00 0.00 57.03 56.65 1ek4 h ASP 306 Cb 0.40 0.25 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 1ek4 h ASP 306 CO -0.51 -0.13 -0.66 -0.37 -3.12 0.00 0.00 179.24 174.45 1ek4 h VAL 307 N 0.00 1.25 -0.67 -1.35 -1.51 -1.67 -2.70 116.25 109.60 1ek4 h VAL 307 Ca 0.19 -2.48 -0.02 0.00 -1.23 0.00 0.00 66.70 63.16 1ek4 h VAL 307 Cb 0.29 2.43 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1ek4 h VAL 307 CO -0.41 0.65 0.35 0.11 -1.23 0.00 0.00 177.57 177.05 1ek4 h LYS 308 N 0.00 0.94 -0.45 5.19 1.79 -0.97 -0.51 116.57 122.56 1ek4 h LYS 308 Ca -0.01 -0.12 -0.09 0.00 -2.18 0.00 0.00 60.65 58.26 1ek4 h LYS 308 Cb 1.38 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1ek4 h LYS 308 CO 0.09 0.72 -0.07 1.49 -1.08 0.00 0.00 179.45 180.60 1ek4 h GLU 309 N 0.92 0.83 -0.60 3.15 4.81 -1.42 -1.94 114.58 120.33 1ek4 h GLU 309 Ca 0.23 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1ek4 h GLU 309 Cb 0.06 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1ek4 h GLU 309 CO -0.04 0.93 0.29 -0.07 -0.73 0.00 0.00 179.01 179.39 1ek4 h LEU 310 N 0.67 0.75 -0.71 1.64 3.38 -1.15 0.26 115.31 120.15 1ek4 h LEU 310 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ek4 h LEU 310 Cb 0.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1ek4 h LEU 310 CO 0.04 0.64 -0.02 0.00 0.09 0.00 0.00 178.44 179.18 1ek4 h ALA 311 N 1.48 0.92 -0.63 1.53 0.00 -0.87 -1.62 119.26 120.07 1ek4 h ALA 311 Ca 0.21 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ek4 h ALA 311 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ek4 h ALA 311 CO -0.03 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.91 1ek4 h ALA 312 N 1.08 0.90 -0.73 0.00 0.00 -0.51 -2.44 119.26 117.56 1ek4 h ALA 312 Ca 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ek4 h ALA 312 Cb 0.55 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ek4 h ALA 312 CO 0.03 0.66 0.27 0.82 0.00 0.00 0.00 179.25 181.04 1ek4 h ILE 313 N 0.98 1.25 -0.49 0.00 2.04 -0.62 -1.56 117.51 119.11 1ek4 h ILE 313 Ca 0.18 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1ek4 h ILE 313 Cb 0.50 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1ek4 h ILE 313 CO 0.02 0.33 0.22 0.03 0.00 0.00 0.00 178.15 178.75 1ek4 h ARG 314 N 1.05 0.72 -0.42 2.37 3.08 -1.08 -0.68 114.38 119.42 1ek4 h ARG 314 Ca 0.24 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 1ek4 h ARG 314 Cb 0.24 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ek4 h ARG 314 CO -0.02 0.62 -0.06 1.49 -1.07 0.00 0.00 179.97 180.93 1ek4 h GLU 315 N 0.65 0.72 -0.01 0.04 4.81 -1.21 0.20 114.58 119.78 1ek4 h GLU 315 Ca 0.17 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ek4 h GLU 315 Cb 0.14 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1ek4 h GLU 315 CO -0.02 0.77 -0.07 0.28 -0.73 0.00 0.00 179.01 179.24 1ek4 h VAL 316 N 0.66 1.52 -0.00 0.32 2.07 -1.07 -3.36 116.25 116.39 1ek4 h VAL 316 Ca 0.12 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1ek4 h VAL 316 Cb 0.49 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1ek4 h VAL 316 CO 0.03 0.43 -0.50 0.49 0.02 0.00 0.00 177.57 178.04 1ek4 n PHE 317 N -4.69 0.00 -0.09 1.57 3.01 -0.28 -5.03 117.46 111.95 1ek4 n PHE 317 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1ek4 n PHE 317 Cb 0.37 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 1ek4 n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ek4 n GLY 318 N 1.44 3.36 1.91 1.37 0.00 0.71 -0.82 105.19 113.16 1ek4 n GLY 318 Ca 0.08 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1ek4 n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek4 n ASP 319 N 4.00 3.91 -2.51 1.61 9.92 -1.26 -4.22 116.55 127.99 1ek4 n ASP 319 Ca 0.00 -3.17 -0.16 0.00 -0.53 0.00 0.00 54.79 50.93 1ek4 n ASP 319 Cb 0.00 -0.75 0.02 0.00 -0.64 0.00 0.00 41.12 39.76 1ek4 n ASP 319 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1ek4 n LYS 320 N -0.51 2.49 -2.61 -1.24 4.76 -0.00 -5.10 118.16 115.94 1ek4 n LYS 320 Ca 0.42 -3.89 -0.38 0.00 -2.87 0.00 0.00 58.31 51.59 1ek4 n LYS 320 Cb 1.35 -1.84 -0.05 0.00 -1.84 0.00 0.00 35.03 32.65 1ek4 n LYS 320 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ek4 s SER 321 N -3.48 7.21 0.86 4.39 1.04 -1.26 -4.88 113.70 117.58 1ek4 s SER 321 Ca 0.39 2.05 -0.13 0.00 0.48 0.00 0.00 55.95 58.73 1ek4 s SER 321 Cb 0.41 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 64.04 1ek4 s SER 321 CO -0.05 -0.17 1.23 -2.16 0.98 0.00 0.00 173.24 173.06 1ek4 s PRO 322 N -1.83 1.53 0.34 4.02 0.04 -1.26 -4.87 135.00 132.97 1ek4 s PRO 322 Ca 0.49 -0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.19 1ek4 s PRO 322 Cb -0.25 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 1ek4 s PRO 322 CO 0.32 -1.87 1.28 0.00 0.04 0.00 0.00 177.00 176.78 1ek4 s ALA 323 N -3.68 3.44 0.04 8.56 0.00 -1.13 -4.51 121.76 124.49 1ek4 s ALA 323 Ca 0.66 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.88 1ek4 s ALA 323 Cb -0.09 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1ek4 s ALA 323 CO 0.50 -0.63 -0.13 0.42 0.00 0.00 0.00 175.76 175.93 1ek4 s ILE 324 N -1.17 1.04 -0.20 0.00 1.01 0.14 -0.87 121.20 121.15 1ek4 s ILE 324 Ca 0.50 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1ek4 s ILE 324 Cb -0.39 -0.95 0.06 0.00 0.01 0.00 0.00 42.46 41.20 1ek4 s ILE 324 CO 0.51 -0.01 0.65 -0.94 0.00 0.00 0.00 174.94 175.15 1ek4 s SER 325 N -1.09 -0.66 -0.42 3.58 1.04 -1.13 -1.09 113.70 113.92 1ek4 s SER 325 Ca 0.01 1.17 -0.09 0.00 0.48 0.00 0.00 55.95 57.52 1ek4 s SER 325 Cb -0.08 1.16 0.08 0.00 0.10 0.00 0.00 66.02 67.28 1ek4 s SER 325 CO 0.01 -0.30 0.25 0.00 0.98 0.00 0.00 173.24 174.18 1ek4 s ALA 326 N 0.01 3.27 -0.74 5.32 0.00 -1.26 -2.95 121.76 125.42 1ek4 s ALA 326 Ca -0.02 -2.17 0.19 0.00 0.00 0.00 0.00 51.96 49.96 1ek4 s ALA 326 Cb -0.04 -2.62 0.81 0.00 0.00 0.00 0.00 23.12 21.27 1ek4 s ALA 326 CO 0.03 -1.65 1.60 0.25 0.00 0.00 0.00 175.76 175.98 1ek4 n THR 327 N 4.89 0.90 0.30 0.00 -2.24 -1.26 -2.52 114.28 114.36 1ek4 n THR 327 Ca -0.10 0.23 0.18 0.00 -2.27 0.00 0.00 64.05 62.10 1ek4 n THR 327 Cb 0.43 -1.07 0.93 0.00 -2.10 0.00 0.00 70.33 68.52 1ek4 n THR 327 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ek4 h LYS 328 N 0.00 0.00 -0.08 -0.78 1.57 -1.82 -0.78 116.57 114.68 1ek4 h LYS 328 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ek4 h LYS 328 Cb 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ek4 h LYS 328 CO 0.00 0.03 -0.01 0.00 -0.57 0.00 0.00 179.45 178.90 1ek4 h ALA 329 N 1.97 1.85 0.07 3.86 0.00 -1.75 0.17 119.26 125.43 1ek4 h ALA 329 Ca -0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1ek4 h ALA 329 Cb 0.23 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ek4 h ALA 329 CO 0.00 0.12 -1.95 -1.33 0.00 0.00 0.00 179.25 176.09 1ek4 n MET 330 N -4.46 0.69 -0.03 0.00 2.81 -0.39 -4.60 117.12 111.13 1ek4 n MET 330 Ca -0.02 0.31 -0.04 0.00 -1.81 0.00 0.00 57.70 56.14 1ek4 n MET 330 Cb 0.13 -1.67 -0.13 0.00 -0.71 0.00 0.00 33.22 30.84 1ek4 n MET 330 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ek4 n THR 331 N -3.71 1.26 0.00 2.03 -2.24 -0.64 -0.31 114.28 110.66 1ek4 n THR 331 Ca -0.36 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.67 1ek4 n THR 331 Cb 0.95 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1ek4 n THR 331 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek4 n GLY 332 N 1.54 0.01 3.36 3.38 0.00 0.59 -4.55 105.19 109.52 1ek4 n GLY 332 Ca -0.18 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.45 1ek4 n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ek4 s HIS 333 N -1.15 3.25 -1.31 1.61 2.46 0.15 -4.65 115.29 115.66 1ek4 s HIS 333 Ca 0.00 -1.06 0.03 0.00 0.47 0.00 0.00 55.06 54.50 1ek4 s HIS 333 Cb 0.00 -3.30 0.14 0.00 -0.13 0.00 0.00 32.58 29.29 1ek4 s HIS 333 CO 0.00 -0.85 0.88 -1.13 -2.47 0.00 0.00 174.74 171.17 1ek4 n SER 334 N 5.19 1.45 0.00 9.88 3.41 -1.26 -0.62 113.62 131.68 1ek4 n SER 334 Ca -0.13 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.38 1ek4 n SER 334 Cb 0.43 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1ek4 n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ek4 n LEU 335 N 0.04 0.00 0.25 1.04 4.77 -1.26 -1.47 117.00 120.37 1ek4 n LEU 335 Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1ek4 n LEU 335 Cb 0.31 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 42.26 1ek4 n LEU 335 CO 0.05 0.00 1.14 1.23 -1.33 0.00 0.00 177.39 178.48 1ek4 h GLY 336 N 0.00 0.00 0.98 -0.72 0.00 -1.86 -1.62 103.07 99.86 1ek4 h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ek4 h GLY 336 CO 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 176.54 176.02 1ek4 n ALA 337 N -2.34 3.55 -0.12 3.60 0.00 -0.54 -2.41 120.51 122.25 1ek4 n ALA 337 Ca -0.01 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 1ek4 n ALA 337 Cb 0.20 -1.11 0.03 0.00 0.00 0.00 0.00 19.45 18.56 1ek4 n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 h ALA 338 N 2.98 0.46 -0.05 0.00 0.00 -1.37 -2.34 119.26 118.93 1ek4 h ALA 338 Ca 0.00 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ek4 h ALA 338 Cb 0.51 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1ek4 h ALA 338 CO 0.00 -0.27 -0.29 0.78 0.00 0.00 0.00 179.25 179.48 1ek4 h GLY 339 N 0.28 -0.42 1.16 0.00 0.00 -1.76 -0.21 103.07 102.12 1ek4 h GLY 339 Ca 0.18 0.35 -0.17 0.00 0.00 0.00 0.00 47.33 47.69 1ek4 h GLY 339 CO -0.20 -0.22 -0.44 -0.24 0.00 0.00 0.00 176.54 175.44 1ek4 h VAL 340 N -0.40 1.27 -0.69 4.60 3.04 -1.73 -1.86 116.25 120.48 1ek4 h VAL 340 Ca 0.08 -1.62 -0.05 0.00 -1.01 0.00 0.00 66.70 64.10 1ek4 h VAL 340 Cb 0.51 1.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.23 1ek4 h VAL 340 CO -0.28 0.54 0.23 1.56 -1.01 0.00 0.00 177.57 178.61 1ek4 h GLN 341 N 0.73 1.06 0.00 4.17 4.20 -1.27 -0.53 115.11 123.47 1ek4 h GLN 341 Ca 0.05 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1ek4 h GLN 341 Cb 1.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 1ek4 h GLN 341 CO 0.10 0.91 -0.54 0.93 -0.67 0.00 0.00 178.83 179.56 1ek4 h GLU 342 N 1.00 0.00 -0.50 1.46 5.08 -1.02 -0.12 114.58 120.48 1ek4 h GLU 342 Ca 0.22 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1ek4 h GLU 342 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1ek4 h GLU 342 CO -0.01 0.54 -0.18 0.00 -1.00 0.00 0.00 179.01 178.36 1ek4 h ALA 343 N 1.46 0.73 -0.54 3.43 0.00 -0.92 -1.53 119.26 121.90 1ek4 h ALA 343 Ca -0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1ek4 h ALA 343 Cb 1.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ek4 h ALA 343 CO 0.07 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.90 1ek4 h ILE 344 N 0.86 1.25 -0.81 0.00 2.04 -0.56 -0.16 117.51 120.13 1ek4 h ILE 344 Ca 0.12 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 1ek4 h ILE 344 Cb 0.75 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1ek4 h ILE 344 CO 0.06 0.34 0.44 1.88 0.00 0.00 0.00 178.15 180.88 1ek4 h TYR 345 N 0.77 1.12 -0.77 1.37 0.05 -0.82 -0.92 116.97 117.78 1ek4 h TYR 345 Ca 0.16 -0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.86 1ek4 h TYR 345 Cb 0.40 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.75 1ek4 h TYR 345 CO 0.03 0.78 0.28 0.77 -1.05 0.00 0.00 178.16 178.97 1ek4 h SER 346 N 1.13 1.08 -0.23 3.88 0.02 -0.96 -1.58 113.55 116.90 1ek4 h SER 346 Ca 0.29 -0.18 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 1ek4 h SER 346 Cb 0.03 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1ek4 h SER 346 CO -0.05 0.98 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.43 1ek4 h LEU 347 N 1.13 0.62 -0.56 5.07 3.38 -0.42 -0.97 115.31 123.56 1ek4 h LEU 347 Ca 0.25 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1ek4 h LEU 347 Cb 0.26 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ek4 h LEU 347 CO -0.02 0.78 -0.29 -0.07 0.09 0.00 0.00 178.44 178.93 1ek4 h LEU 348 N 0.58 0.87 -0.58 1.67 3.38 -0.77 0.10 115.31 120.56 1ek4 h LEU 348 Ca 0.10 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1ek4 h LEU 348 Cb 0.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1ek4 h LEU 348 CO 0.03 1.10 0.12 0.24 0.09 0.00 0.00 178.44 180.02 1ek4 h MET 349 N 0.71 0.94 -0.57 1.13 2.86 -1.00 -0.01 114.93 118.99 1ek4 h MET 349 Ca 0.08 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 1ek4 h MET 349 Cb 0.84 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1ek4 h MET 349 CO 0.07 0.88 -0.01 1.25 1.06 0.00 0.00 176.91 180.16 1ek4 h LEU 350 N 0.84 0.98 -0.34 1.22 5.85 -0.94 0.88 115.31 123.80 1ek4 h LEU 350 Ca 0.18 -0.27 -0.19 0.00 0.84 0.00 0.00 57.88 58.43 1ek4 h LEU 350 Cb 0.39 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1ek4 h LEU 350 CO 0.01 1.04 -0.73 -0.08 -0.34 0.00 0.00 178.44 178.34 1ek4 h GLU 351 N 0.91 0.53 -0.16 1.25 4.57 -0.55 -3.32 114.58 117.81 1ek4 h GLU 351 Ca 0.16 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1ek4 h GLU 351 Cb 0.55 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ek4 h GLU 351 CO 0.03 1.05 0.00 0.72 -1.18 0.00 0.00 179.01 179.63 1ek4 n HIS 352 N -3.88 0.20 -3.08 0.92 8.25 -0.04 -5.03 115.22 112.56 1ek4 n HIS 352 Ca -0.05 -0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 1ek4 n HIS 352 Cb 0.71 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.87 1ek4 n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek4 n GLY 353 N 1.08 -1.04 3.44 -1.41 0.00 0.27 -4.95 105.19 102.58 1ek4 n GLY 353 Ca 0.13 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.52 1ek4 n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ek4 s PHE 354 N -3.29 -0.56 -0.20 1.61 -0.12 -0.98 -1.89 117.98 112.56 1ek4 s PHE 354 Ca 0.34 0.50 -0.03 0.00 -0.05 0.00 0.00 56.93 57.69 1ek4 s PHE 354 Cb -0.04 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.87 1ek4 s PHE 354 CO 0.68 -0.79 -0.08 0.42 -0.05 0.00 0.00 175.22 175.41 1ek4 s ILE 355 N -3.18 3.17 0.37 -4.49 1.01 0.42 -4.55 121.20 113.95 1ek4 s ILE 355 Ca -0.01 -0.57 -0.27 0.00 0.00 0.00 0.00 60.65 59.80 1ek4 s ILE 355 Cb -0.01 -2.41 -0.09 0.00 0.01 0.00 0.00 42.46 39.96 1ek4 s ILE 355 CO -0.08 0.46 1.18 0.00 0.00 0.00 0.00 174.94 176.50 1ek4 s ALA 356 N 1.22 3.26 0.50 9.38 0.00 -1.26 -2.26 121.76 132.61 1ek4 s ALA 356 Ca 0.02 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1ek4 s ALA 356 Cb -0.14 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1ek4 s ALA 356 CO -0.03 -0.49 1.02 -1.25 0.00 0.00 0.00 175.76 175.02 1ek4 s PRO 357 N -2.07 3.78 -0.54 0.00 0.04 -1.26 -4.79 135.00 130.17 1ek4 s PRO 357 Ca 0.54 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 1ek4 s PRO 357 Cb -0.32 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.20 1ek4 s PRO 357 CO 0.42 -0.43 0.61 0.45 0.04 0.00 0.00 177.00 178.08 1ek4 s SER 358 N -2.32 6.19 0.72 6.66 0.15 0.72 -4.75 113.70 121.07 1ek4 s SER 358 Ca 0.65 -1.25 -0.05 0.00 0.70 0.00 0.00 55.95 55.99 1ek4 s SER 358 Cb -0.14 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 61.99 1ek4 s SER 358 CO 0.24 -0.93 1.01 0.27 1.20 0.00 0.00 173.24 175.03 1ek4 s ILE 359 N 2.40 2.26 -1.54 6.45 -4.36 -1.26 -4.49 121.20 120.66 1ek4 s ILE 359 Ca 0.11 -0.39 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1ek4 s ILE 359 Cb -0.23 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.61 1ek4 s ILE 359 CO 0.08 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.85 1ek4 n ASN 360 N -2.92 -4.78 -4.38 4.36 3.02 -1.26 -4.54 115.26 104.77 1ek4 n ASN 360 Ca 0.11 0.28 -0.45 0.00 -0.03 0.00 0.00 54.58 54.49 1ek4 n ASN 360 Cb 0.60 -3.69 -0.04 0.00 -0.61 0.00 0.00 39.78 36.04 1ek4 n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ek4 s ILE 361 N -2.62 4.80 -0.10 2.41 1.01 -1.26 -4.73 121.20 120.72 1ek4 s ILE 361 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1ek4 s ILE 361 Cb 0.00 -4.51 -0.24 0.00 0.01 0.00 0.00 42.46 37.72 1ek4 s ILE 361 CO 0.00 -1.15 0.45 -0.62 0.00 0.00 0.00 174.94 173.61 1ek4 n GLU 362 N 6.37 0.70 -3.61 2.79 1.02 -1.26 -4.77 120.64 121.89 1ek4 n GLU 362 Ca -0.08 0.26 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 1ek4 n GLU 362 Cb 0.43 -1.73 -0.16 0.00 -0.02 0.00 0.00 31.44 29.96 1ek4 n GLU 362 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ek4 s GLU 363 N -2.57 0.20 0.27 3.49 2.12 -1.26 -5.05 118.70 115.90 1ek4 s GLU 363 Ca -0.15 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1ek4 s GLU 363 Cb 0.07 -1.64 -0.11 0.00 0.26 0.00 0.00 34.13 32.72 1ek4 s GLU 363 CO 0.79 -0.80 1.49 -1.17 -0.54 0.00 0.00 175.26 175.03 1ek4 s LEU 364 N 2.07 4.37 0.37 2.70 2.96 -1.26 0.54 118.68 130.43 1ek4 s LEU 364 Ca 0.04 2.78 -0.28 0.00 -0.22 0.00 0.00 54.13 56.46 1ek4 s LEU 364 Cb -0.16 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.79 1ek4 s LEU 364 CO -0.19 -0.78 1.42 -0.62 -1.32 0.00 0.00 176.35 174.86 1ek4 s ASP 365 N 0.37 6.44 0.30 3.68 -1.08 -0.56 -4.68 116.67 121.14 1ek4 s ASP 365 Ca 0.60 2.91 0.06 0.00 -0.52 0.00 0.00 52.55 55.60 1ek4 s ASP 365 Cb -0.44 -2.66 0.75 0.00 -1.46 0.00 0.00 42.92 39.11 1ek4 s ASP 365 CO 0.46 -0.79 1.75 -0.33 0.52 0.00 0.00 175.17 176.78 1ek4 h GLU 366 N 3.05 0.62 0.00 4.34 5.08 -1.92 -0.04 114.58 125.71 1ek4 h GLU 366 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1ek4 h GLU 366 Cb 1.24 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ek4 h GLU 366 CO 0.64 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 180.10 1ek4 n GLN 367 N -4.86 0.36 0.00 2.33 6.02 -1.26 -2.32 117.38 117.65 1ek4 n GLN 367 Ca 0.23 0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.42 1ek4 n GLN 367 Cb 0.61 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.43 1ek4 n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ek4 n ALA 368 N -1.22 3.08 -1.76 -1.58 0.00 -0.03 -4.90 120.51 114.10 1ek4 n ALA 368 Ca 0.11 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 1ek4 n ALA 368 Cb 0.14 -0.81 -0.00 0.00 0.00 0.00 0.00 19.45 18.77 1ek4 n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 n ALA 369 N 0.55 2.31 0.00 0.00 0.00 -0.98 -2.98 120.51 119.40 1ek4 n ALA 369 Ca 0.11 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1ek4 n ALA 369 Cb 0.52 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1ek4 n ALA 369 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek4 n GLY 370 N 0.83 3.13 3.87 0.00 0.00 -1.26 -5.04 105.19 106.72 1ek4 n GLY 370 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1ek4 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek4 s LEU 371 N 0.00 3.80 -1.10 0.99 1.43 -1.16 -5.00 118.68 117.65 1ek4 s LEU 371 Ca 0.00 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 1ek4 s LEU 371 Cb 0.00 -4.08 0.17 0.00 0.03 0.00 0.00 46.19 42.31 1ek4 s LEU 371 CO 0.00 -0.42 1.28 0.21 0.23 0.00 0.00 176.35 177.65 1ek4 s ASN 372 N -3.15 6.94 -0.42 2.29 2.47 -1.26 -4.95 114.94 116.86 1ek4 s ASN 372 Ca 0.52 -2.74 -0.19 0.00 0.42 0.00 0.00 52.86 50.87 1ek4 s ASN 372 Cb -0.10 -2.38 0.02 0.00 -1.45 0.00 0.00 41.25 37.34 1ek4 s ASN 372 CO 0.31 -0.80 0.55 -0.63 -3.72 0.00 0.00 177.10 172.82 1ek4 s ILE 373 N 1.62 4.94 -0.02 -5.21 1.01 -1.26 -0.68 121.20 121.60 1ek4 s ILE 373 Ca 0.37 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.69 1ek4 s ILE 373 Cb -0.04 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1ek4 s ILE 373 CO -0.04 -0.50 1.30 -0.69 0.00 0.00 0.00 174.94 175.01 1ek4 s VAL 374 N 2.52 3.97 -1.23 2.92 1.01 -0.25 -4.91 120.40 124.43 1ek4 s VAL 374 Ca 0.18 1.34 0.10 0.00 0.00 0.00 0.00 61.98 63.60 1ek4 s VAL 374 Cb -0.15 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.46 1ek4 s VAL 374 CO 0.16 0.00 0.85 0.35 0.00 0.00 0.00 175.10 176.47 1ek4 n THR 375 N 4.59 0.07 -3.86 3.92 -2.24 -1.26 -0.20 114.28 115.30 1ek4 n THR 375 Ca 0.12 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1ek4 n THR 375 Cb 0.45 1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 1ek4 n THR 375 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ek4 s GLU 376 N -0.85 0.10 0.00 -0.78 -1.05 -1.26 -4.57 118.70 110.29 1ek4 s GLU 376 Ca 0.12 -0.01 -0.37 0.00 -0.15 0.00 0.00 54.97 54.57 1ek4 s GLU 376 Cb 0.09 0.04 -0.16 0.00 -0.44 0.00 0.00 34.13 33.66 1ek4 s GLU 376 CO 0.13 -0.02 1.52 2.41 0.95 0.00 0.00 175.26 180.25 1ek4 n THR 377 N 2.86 0.12 -4.27 1.83 -1.04 -1.26 -4.59 114.28 107.92 1ek4 n THR 377 Ca -0.14 -0.02 -0.27 0.00 -2.04 0.00 0.00 64.05 61.59 1ek4 n THR 377 Cb 0.59 -1.12 -0.17 0.00 -1.82 0.00 0.00 70.33 67.82 1ek4 n THR 377 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ek4 s THR 378 N 1.55 1.20 0.05 12.58 2.01 -0.96 -4.97 115.64 127.10 1ek4 s THR 378 Ca 0.87 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1ek4 s THR 378 Cb -0.91 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1ek4 s THR 378 CO 0.50 0.38 0.97 -1.81 -0.69 0.00 0.00 174.62 173.98 1ek4 s ASP 379 N 1.16 7.42 -0.29 3.53 1.01 -1.26 -0.44 116.67 127.81 1ek4 s ASP 379 Ca -0.05 1.72 -0.22 0.00 0.71 0.00 0.00 52.55 54.71 1ek4 s ASP 379 Cb -0.14 -2.58 0.15 0.00 1.01 0.00 0.00 42.92 41.36 1ek4 s ASP 379 CO -0.03 -0.18 1.12 -0.60 0.21 0.00 0.00 175.17 175.69 1ek4 s ARG 380 N 0.60 0.35 -0.09 8.23 3.52 -0.79 -4.95 118.95 125.82 1ek4 s ARG 380 Ca 0.50 0.47 -0.30 0.00 -0.13 0.00 0.00 55.73 56.28 1ek4 s ARG 380 Cb -0.22 0.14 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 1ek4 s ARG 380 CO 0.29 -0.05 1.38 -1.21 -0.81 0.00 0.00 175.30 174.89 1ek4 s GLU 381 N 0.55 4.24 0.07 5.12 2.02 -1.26 -3.49 118.70 125.95 1ek4 s GLU 381 Ca -0.00 1.85 0.03 0.00 0.02 0.00 0.00 54.97 56.87 1ek4 s GLU 381 Cb -0.04 -3.76 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 1ek4 s GLU 381 CO -0.11 -0.69 0.03 -0.51 0.02 0.00 0.00 175.26 174.01 1ek4 s LEU 382 N 3.27 3.61 0.00 1.80 1.43 -1.26 -5.03 118.68 122.50 1ek4 s LEU 382 Ca 0.61 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1ek4 s LEU 382 Cb -0.27 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1ek4 s LEU 382 CO 0.21 0.19 0.00 0.41 0.23 0.00 0.00 176.35 177.40 1ek4 n THR 383 N 0.67 0.00 -4.50 5.49 -1.04 -1.26 -4.90 114.28 108.74 1ek4 n THR 383 Ca -0.11 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.64 1ek4 n THR 383 Cb 0.52 -0.73 -0.17 0.00 -1.82 0.00 0.00 70.33 68.13 1ek4 n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ek4 s THR 384 N -1.88 1.33 0.12 12.58 2.01 -1.26 -1.34 115.64 127.19 1ek4 s THR 384 Ca 0.00 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 61.51 1ek4 s THR 384 Cb 0.00 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1ek4 s THR 384 CO 0.00 0.40 -0.17 0.68 -0.69 0.00 0.00 174.62 174.85 1ek4 s VAL 385 N 0.88 1.51 0.04 3.82 -7.23 -0.02 -0.44 120.40 118.96 1ek4 s VAL 385 Ca -0.10 -1.66 0.06 0.00 -1.81 0.00 0.00 61.98 58.48 1ek4 s VAL 385 Cb -0.15 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 1ek4 s VAL 385 CO 0.01 -0.28 -0.18 -0.32 -0.31 0.00 0.00 175.10 174.02 1ek4 s MET 386 N -2.37 1.18 -0.06 4.82 -2.45 -0.14 -0.93 119.30 119.34 1ek4 s MET 386 Ca 0.08 -0.85 -0.00 0.00 -1.25 0.00 0.00 55.69 53.67 1ek4 s MET 386 Cb -0.07 -1.25 0.03 0.00 1.25 0.00 0.00 34.83 34.79 1ek4 s MET 386 CO 0.04 0.31 -0.01 0.45 1.05 0.00 0.00 175.02 176.86 1ek4 s SER 387 N -1.13 1.20 -0.02 1.11 0.15 -0.27 -0.06 113.70 114.68 1ek4 s SER 387 Ca 0.05 -0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.59 1ek4 s SER 387 Cb -0.08 -0.41 -0.04 0.00 -1.71 0.00 0.00 66.02 63.78 1ek4 s SER 387 CO 0.01 -0.14 0.14 0.20 1.20 0.00 0.00 173.24 174.66 1ek4 s ASN 388 N 1.50 6.14 -0.15 5.45 0.01 -0.80 -1.75 114.94 125.33 1ek4 s ASN 388 Ca -0.02 0.29 -0.04 0.00 -0.71 0.00 0.00 52.86 52.38 1ek4 s ASN 388 Cb -0.13 -1.88 0.07 0.00 0.41 0.00 0.00 41.25 39.72 1ek4 s ASN 388 CO -0.03 0.28 0.20 -0.44 -1.51 0.00 0.00 177.10 175.60 1ek4 s SER 389 N -1.76 1.10 0.07 -1.22 0.01 -0.23 -3.58 113.70 108.10 1ek4 s SER 389 Ca 0.24 0.04 0.09 0.00 1.31 0.00 0.00 55.95 57.64 1ek4 s SER 389 Cb -0.12 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1ek4 s SER 389 CO 0.15 -0.29 -0.25 -0.36 0.41 0.00 0.00 173.24 172.91 1ek4 s PHE 390 N 2.31 2.36 0.22 2.43 0.08 -1.26 -0.97 117.98 123.15 1ek4 s PHE 390 Ca 0.04 -0.37 0.02 0.00 0.12 0.00 0.00 56.93 56.74 1ek4 s PHE 390 Cb -0.14 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1ek4 s PHE 390 CO -0.09 0.22 0.05 0.20 -0.10 0.00 0.00 175.22 175.50 1ek4 s GLY 391 N -1.56 1.48 0.61 4.36 0.00 0.31 -4.20 107.32 108.33 1ek4 s GLY 391 Ca 0.13 -1.73 -0.19 0.00 0.00 0.00 0.00 44.72 42.94 1ek4 s GLY 391 CO 0.04 -1.56 1.14 0.69 0.00 0.00 0.00 173.10 173.41 1ek4 n PHE 392 N -0.35 1.43 -0.56 1.90 0.99 -1.26 -2.46 117.46 117.14 1ek4 n PHE 392 Ca -0.03 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 1ek4 n PHE 392 Cb 0.65 -2.22 0.00 0.00 -1.00 0.00 0.00 39.48 36.91 1ek4 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ek4 n GLY 393 N 1.09 0.72 3.12 1.37 0.00 0.66 -4.18 105.19 107.98 1ek4 n GLY 393 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 1ek4 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 394 N -2.55 -0.36 3.72 -0.02 0.00 -1.03 -4.73 105.19 100.22 1ek4 n GLY 394 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1ek4 n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ek4 s THR 395 N -3.20 5.39 0.08 2.61 -1.32 -1.07 -0.44 115.64 117.68 1ek4 s THR 395 Ca 0.41 0.23 0.09 0.00 -1.21 0.00 0.00 61.69 61.21 1ek4 s THR 395 Cb -0.18 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.28 1ek4 s THR 395 CO 0.50 0.42 -0.25 0.20 -2.21 0.00 0.00 174.62 173.28 1ek4 s ASN 396 N 0.50 3.01 -0.10 8.08 0.01 -0.33 -0.53 114.94 125.58 1ek4 s ASN 396 Ca 0.09 -0.64 -0.08 0.00 -0.71 0.00 0.00 52.86 51.52 1ek4 s ASN 396 Cb -0.12 -0.23 0.03 0.00 0.41 0.00 0.00 41.25 41.34 1ek4 s ASN 396 CO -0.00 0.19 0.27 0.00 -1.51 0.00 0.00 177.10 176.05 1ek4 s ALA 397 N -0.93 -0.65 -0.02 0.60 0.00 -0.14 -2.13 121.76 118.50 1ek4 s ALA 397 Ca 0.11 0.85 0.01 0.00 0.00 0.00 0.00 51.96 52.93 1ek4 s ALA 397 Cb -0.10 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1ek4 s ALA 397 CO 0.03 -0.15 -0.03 0.99 0.00 0.00 0.00 175.76 176.60 1ek4 s THR 398 N 0.51 0.33 -0.04 0.00 2.01 -0.38 -1.07 115.64 117.01 1ek4 s THR 398 Ca -0.03 -0.09 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1ek4 s THR 398 Cb -0.04 -0.34 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 1ek4 s THR 398 CO -0.03 0.14 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.06 1ek4 s LEU 399 N 0.46 2.02 -0.12 4.42 1.43 -0.72 -0.74 118.68 125.44 1ek4 s LEU 399 Ca -0.05 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1ek4 s LEU 399 Cb -0.08 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1ek4 s LEU 399 CO -0.01 0.23 -0.20 -0.69 0.23 0.00 0.00 176.35 175.91 1ek4 s VAL 400 N -0.21 1.89 0.04 -1.59 1.01 -0.31 -1.11 120.40 120.11 1ek4 s VAL 400 Ca -0.00 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1ek4 s VAL 400 Cb -0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1ek4 s VAL 400 CO 0.02 0.52 -0.22 -0.04 0.00 0.00 0.00 175.10 175.38 1ek4 s MET 401 N 0.77 1.47 0.01 2.72 -1.94 -0.11 -1.64 119.30 120.58 1ek4 s MET 401 Ca -0.09 -0.97 0.00 0.00 -1.71 0.00 0.00 55.69 52.92 1ek4 s MET 401 Cb -0.16 -1.59 -0.01 0.00 2.01 0.00 0.00 34.83 35.08 1ek4 s MET 401 CO 0.00 0.41 -0.02 0.50 -0.01 0.00 0.00 175.02 175.90 1ek4 s ARG 402 N -1.17 0.17 0.58 2.03 3.52 -0.02 -0.84 118.95 123.21 1ek4 s ARG 402 Ca 0.08 -0.27 -0.20 0.00 -0.13 0.00 0.00 55.73 55.20 1ek4 s ARG 402 Cb -0.09 -0.00 -0.04 0.00 -1.56 0.00 0.00 34.95 33.26 1ek4 s ARG 402 CO 0.02 -0.01 1.32 1.63 -0.81 0.00 0.00 175.30 177.45 1ek4 n LYS 403 N 2.45 1.46 -3.30 5.12 5.02 -0.45 -0.20 118.16 128.25 1ek4 n LYS 403 Ca -0.17 0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 56.29 1ek4 n LYS 403 Cb 0.58 -2.54 -0.06 0.00 -0.02 0.00 0.00 35.03 32.99 1ek4 n LYS 403 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ek4 s LEU 404 N -3.68 4.37 -0.30 -0.35 2.96 -1.26 -4.76 118.68 115.65 1ek4 s LEU 404 Ca 0.76 0.98 -0.41 0.00 -0.22 0.00 0.00 54.13 55.24 1ek4 s LEU 404 Cb -0.41 -2.77 -0.16 0.00 0.50 0.00 0.00 46.19 43.36 1ek4 s LEU 404 CO 0.46 0.10 1.74 0.29 -1.32 0.00 0.00 176.35 177.62 1ek4 n LYS 405 N 2.97 1.05 -0.66 1.98 4.01 -1.26 -5.10 118.16 121.14 1ek4 n LYS 405 Ca -0.08 0.38 0.00 0.00 -0.51 0.00 0.00 58.31 58.10 1ek4 n LYS 405 Cb 0.51 -2.05 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1ek4 n LYS 405 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82