#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko4 s ARG 2 N 0.00 3.85 -0.06 3.17 0.52 -0.42 -3.15 118.95 122.87 3ko4 s ARG 2 Ca 0.00 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3ko4 s ARG 2 Cb 0.00 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 3ko4 s ARG 2 CO 0.00 0.25 -0.19 0.54 0.02 0.00 0.00 175.30 175.92 3ko4 s VAL 3 N 0.40 1.60 -0.25 3.52 0.11 -0.71 0.12 120.40 125.19 3ko4 s VAL 3 Ca 0.00 -0.80 -0.10 0.00 -2.93 0.00 0.00 61.98 58.15 3ko4 s VAL 3 Cb -0.13 -1.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.29 3ko4 s VAL 3 CO 0.01 0.46 0.16 -0.69 -3.33 0.00 0.00 175.10 171.71 3ko4 s VAL 4 N 0.11 5.30 -0.15 2.04 1.01 -0.67 -1.82 120.40 126.23 3ko4 s VAL 4 Ca -0.07 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3ko4 s VAL 4 Cb -0.13 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3ko4 s VAL 4 CO 0.04 0.32 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 3ko4 s ILE 5 N 1.23 3.67 -0.05 2.22 1.01 -0.50 -0.81 121.20 127.97 3ko4 s ILE 5 Ca 0.07 -0.44 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3ko4 s ILE 5 Cb -0.14 -2.59 0.02 0.00 0.01 0.00 0.00 42.46 39.75 3ko4 s ILE 5 CO 0.06 0.50 -0.09 -1.10 0.00 0.00 0.00 174.94 174.31 3ko4 s GLN 6 N 0.34 1.32 0.16 2.79 -0.21 -0.59 -0.52 119.66 122.95 3ko4 s GLN 6 Ca -0.06 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.74 3ko4 s GLN 6 Cb -0.15 -1.15 -0.07 0.00 1.00 0.00 0.00 33.01 32.64 3ko4 s GLN 6 CO 0.04 -0.01 1.01 0.50 -2.12 0.00 0.00 175.29 174.70 3ko4 s ARG 7 N 0.75 4.69 0.01 2.91 3.52 -0.99 -1.66 118.95 128.18 3ko4 s ARG 7 Ca -0.13 1.56 0.02 0.00 -0.13 0.00 0.00 55.73 57.04 3ko4 s ARG 7 Cb -0.15 -3.32 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3ko4 s ARG 7 CO 0.02 0.23 -0.06 0.14 -0.81 0.00 0.00 175.30 174.82 3ko4 s VAL 8 N -0.34 0.43 -0.23 7.11 -7.23 -0.35 -0.42 120.40 119.37 3ko4 s VAL 8 Ca 0.46 -0.51 0.17 0.00 -1.81 0.00 0.00 61.98 60.29 3ko4 s VAL 8 Cb -0.26 -0.42 0.12 0.00 0.56 0.00 0.00 36.38 36.39 3ko4 s VAL 8 CO 0.32 -0.07 1.45 0.11 -0.31 0.00 0.00 175.10 176.60 3ko4 h LYS 9 N 5.48 0.00 -1.91 4.82 1.79 -1.08 -0.77 116.57 124.90 3ko4 h LYS 9 Ca -0.30 0.00 0.28 0.00 -2.18 0.00 0.00 60.65 58.45 3ko4 h LYS 9 Cb 1.20 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.76 3ko4 h LYS 9 CO 0.47 0.35 0.76 0.20 -1.08 0.00 0.00 179.45 180.14 3ko4 s GLY 10 N -4.41 -0.24 -0.29 3.86 0.00 -1.21 -1.79 107.32 103.25 3ko4 s GLY 10 Ca 0.04 0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.90 3ko4 s GLY 10 CO 0.73 1.75 0.83 0.00 0.00 0.00 0.00 173.10 176.41 3ko4 s ALA 11 N -2.42 -2.14 -0.28 3.20 0.00 -0.46 -1.67 121.76 118.00 3ko4 s ALA 11 Ca 0.19 2.29 0.01 0.00 0.00 0.00 0.00 51.96 54.45 3ko4 s ALA 11 Cb 0.02 -1.64 0.06 0.00 0.00 0.00 0.00 23.12 21.55 3ko4 s ALA 11 CO -0.01 -0.48 -0.06 0.42 0.00 0.00 0.00 175.76 175.63 3ko4 s ILE 12 N 1.74 2.53 -0.14 0.00 1.01 0.35 -1.12 121.20 125.57 3ko4 s ILE 12 Ca -0.08 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 58.90 3ko4 s ILE 12 Cb -0.05 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 3ko4 s ILE 12 CO -0.18 -0.07 0.31 -0.22 0.00 0.00 0.00 174.94 174.78 3ko4 s LEU 13 N 1.17 4.27 -0.02 2.97 0.20 -0.95 -1.35 118.68 124.98 3ko4 s LEU 13 Ca -0.07 0.56 0.00 0.00 0.69 0.00 0.00 54.13 55.32 3ko4 s LEU 13 Cb -0.20 -2.40 0.01 0.00 -0.43 0.00 0.00 46.19 43.18 3ko4 s LEU 13 CO -0.03 0.13 -0.01 -0.44 -0.29 0.00 0.00 176.35 175.71 3ko4 s SER 14 N 0.27 0.29 0.00 3.68 0.01 -0.40 -1.74 113.70 115.82 3ko4 s SER 14 Ca 0.18 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.41 3ko4 s SER 14 Cb -0.13 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 65.98 3ko4 s SER 14 CO 0.05 -0.05 0.00 1.33 0.41 0.00 0.00 173.24 174.98 3ko4 n VAL 15 N 3.65 0.00 -4.35 3.43 0.24 0.48 -0.52 118.33 121.26 3ko4 n VAL 15 Ca -0.21 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.75 3ko4 n VAL 15 Cb 0.54 -0.75 -0.14 0.00 -1.47 0.00 0.00 33.84 32.02 3ko4 n VAL 15 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3ko4 s ARG 16 N -0.59 3.34 -0.26 7.34 0.52 -1.26 -1.20 118.95 126.84 3ko4 s ARG 16 Ca 0.00 -0.68 -0.17 0.00 -0.52 0.00 0.00 55.73 54.36 3ko4 s ARG 16 Cb 0.00 -2.78 -0.03 0.00 0.52 0.00 0.00 34.95 32.67 3ko4 s ARG 16 CO 0.00 0.00 0.49 -0.51 0.02 0.00 0.00 175.30 175.30 3ko4 s LEU 27 N 0.90 4.06 0.01 2.53 1.43 -1.26 -5.15 118.68 121.20 3ko4 s LEU 27 Ca -0.02 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.61 3ko4 s LEU 27 Cb -0.15 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.43 3ko4 s LEU 27 CO -0.00 -0.26 -0.12 -1.83 0.23 0.00 0.00 176.35 174.37 3ko4 s GLU 28 N 2.21 0.86 -0.30 1.70 -1.05 -0.34 -5.12 118.70 116.67 3ko4 s GLU 28 Ca 0.20 -0.53 -0.26 0.00 -0.15 0.00 0.00 54.97 54.23 3ko4 s GLU 28 Cb -0.16 -0.83 0.01 0.00 -0.44 0.00 0.00 34.13 32.71 3ko4 s GLU 28 CO 0.09 0.22 0.90 0.42 0.95 0.00 0.00 175.26 177.84 3ko4 s ILE 29 N -0.53 4.71 -0.24 1.83 1.01 -1.26 -0.39 121.20 126.33 3ko4 s ILE 29 Ca 0.02 1.45 0.12 0.00 0.00 0.00 0.00 60.65 62.25 3ko4 s ILE 29 Cb -0.06 -4.23 -0.17 0.00 0.01 0.00 0.00 42.46 38.01 3ko4 s ILE 29 CO 0.00 -0.29 0.37 2.30 0.00 0.00 0.00 174.94 177.32 3ko4 n ILE 30 N 5.58 0.00 -3.98 2.92 -6.64 -0.71 -4.98 119.36 111.55 3ko4 n ILE 30 Ca 0.07 -0.26 -0.10 0.00 -1.77 0.00 0.00 62.75 60.70 3ko4 n ILE 30 Cb 0.48 0.53 -0.07 0.00 -1.44 0.00 0.00 39.64 39.14 3ko4 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3ko4 s SER 31 N -2.91 -0.01 -0.29 7.28 0.01 -1.20 -5.04 113.70 111.53 3ko4 s SER 31 Ca -0.01 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 56.12 3ko4 s SER 31 Cb 0.08 0.48 0.17 0.00 0.21 0.00 0.00 66.02 66.97 3ko4 s SER 31 CO 0.51 -0.97 1.25 -0.70 0.41 0.00 0.00 173.24 173.73 3ko4 s GLU 32 N -3.99 0.21 0.21 12.44 2.12 -1.26 -2.23 118.70 126.19 3ko4 s GLU 32 Ca 0.20 0.28 0.10 0.00 0.36 0.00 0.00 54.97 55.90 3ko4 s GLU 32 Cb 0.02 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 3ko4 s GLU 32 CO 0.03 -0.03 -0.18 0.96 -0.54 0.00 0.00 175.26 175.50 3ko4 s ILE 33 N 0.45 2.03 0.00 -3.70 -4.36 -0.27 -4.99 121.20 110.36 3ko4 s ILE 33 Ca 0.01 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.26 3ko4 s ILE 33 Cb -0.04 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.61 3ko4 s ILE 33 CO -0.12 -0.40 0.00 0.29 0.24 0.00 0.00 174.94 174.95 3ko4 n LYS 34 N -0.15 2.17 -1.75 0.37 4.76 -1.26 -1.35 118.16 120.95 3ko4 n LYS 34 Ca -0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 3ko4 n LYS 34 Cb 0.59 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.77 3ko4 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko4 n ASN 35 N 0.00 3.79 0.00 4.39 3.02 -0.74 -3.29 115.26 122.43 3ko4 n ASN 35 Ca 0.00 1.17 0.00 0.00 -0.03 0.00 0.00 54.58 55.72 3ko4 n ASN 35 Cb 0.00 -1.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.57 3ko4 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko4 n GLY 36 N 1.58 -0.37 2.85 7.41 0.00 -0.30 -2.37 105.19 113.99 3ko4 n GLY 36 Ca 0.06 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3ko4 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko4 s LEU 37 N 0.00 1.26 -0.22 0.99 1.43 -0.09 -1.22 118.68 120.84 3ko4 s LEU 37 Ca 0.00 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.92 3ko4 s LEU 37 Cb 0.00 -0.30 -0.05 0.00 0.03 0.00 0.00 46.19 45.88 3ko4 s LEU 37 CO 0.00 -0.08 0.21 -0.51 0.23 0.00 0.00 176.35 176.20 3ko4 s ILE 38 N 0.93 5.34 -0.30 -0.59 2.07 -0.66 -0.89 121.20 127.10 3ko4 s ILE 38 Ca -0.10 0.31 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 3ko4 s ILE 38 Cb -0.14 -3.55 0.07 0.00 0.13 0.00 0.00 42.46 38.98 3ko4 s ILE 38 CO -0.01 0.35 -0.02 0.00 -1.91 0.00 0.00 174.94 173.35 3ko4 s PHE 40 N 1.07 2.89 -0.18 0.00 0.08 0.01 -1.15 117.98 120.70 3ko4 s PHE 40 Ca -0.01 0.45 -0.07 0.00 0.12 0.00 0.00 56.93 57.42 3ko4 s PHE 40 Cb -0.20 -4.10 -0.04 0.00 -0.57 0.00 0.00 43.02 38.11 3ko4 s PHE 40 CO -0.05 -1.16 0.04 -1.17 -0.10 0.00 0.00 175.22 172.78 3ko4 s LEU 41 N 3.95 3.72 -0.04 -0.37 0.20 0.11 -1.67 118.68 124.58 3ko4 s LEU 41 Ca 0.40 0.05 0.03 0.00 0.69 0.00 0.00 54.13 55.30 3ko4 s LEU 41 Cb -0.09 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.71 3ko4 s LEU 41 CO 0.28 0.18 -0.12 -0.83 -0.29 0.00 0.00 176.35 175.56 3ko4 s GLY 42 N 0.33 1.60 -0.21 7.98 0.00 0.33 0.14 107.32 117.48 3ko4 s GLY 42 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3ko4 s GLY 42 CO 0.01 -0.79 -0.10 -0.42 0.00 0.00 0.00 173.10 171.79 3ko4 s ILE 43 N -0.80 2.76 0.03 0.90 1.01 -1.26 -1.30 121.20 122.54 3ko4 s ILE 43 Ca 0.13 -0.80 -0.27 0.00 0.00 0.00 0.00 60.65 59.70 3ko4 s ILE 43 Cb -0.11 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 3ko4 s ILE 43 CO 0.02 0.40 0.86 -2.28 0.00 0.00 0.00 174.94 173.94 3ko4 s HIS 44 N 1.37 3.71 0.36 3.97 2.46 -1.26 -1.28 115.29 124.61 3ko4 s HIS 44 Ca 0.04 1.58 0.26 0.00 0.47 0.00 0.00 55.06 57.40 3ko4 s HIS 44 Cb -0.14 -2.95 1.23 0.00 -0.13 0.00 0.00 32.58 30.58 3ko4 s HIS 44 CO -0.07 0.16 1.31 0.36 -2.47 0.00 0.00 174.74 174.02 3ko4 n LYS 45 N 3.23 -0.03 -2.09 2.88 2.85 -1.21 -0.36 118.16 123.43 3ko4 n LYS 45 Ca 0.01 1.06 -0.30 0.00 -1.05 0.00 0.00 58.31 58.04 3ko4 n LYS 45 Cb 0.50 -2.07 0.02 0.00 -0.65 0.00 0.00 35.03 32.84 3ko4 n LYS 45 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3ko4 n ASN 46 N -4.45 5.72 -4.74 -5.58 3.02 -1.26 -4.83 115.26 103.14 3ko4 n ASN 46 Ca 0.33 -3.76 -0.38 0.00 -0.03 0.00 0.00 54.58 50.74 3ko4 n ASN 46 Cb 1.28 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 3ko4 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko4 s ASP 47 N -2.85 6.74 0.88 6.41 1.01 0.52 -5.05 116.67 124.32 3ko4 s ASP 47 Ca 0.52 0.88 -0.10 0.00 0.71 0.00 0.00 52.55 54.56 3ko4 s ASP 47 Cb 0.43 -2.29 0.18 0.00 1.01 0.00 0.00 42.92 42.24 3ko4 s ASP 47 CO -0.15 0.06 1.21 0.42 0.21 0.00 0.00 175.17 176.92 3ko4 s THR 48 N 0.30 2.04 -0.79 -1.27 -4.23 -1.26 -4.97 115.64 105.46 3ko4 s THR 48 Ca 0.26 -0.23 0.20 0.00 -1.18 0.00 0.00 61.69 60.74 3ko4 s THR 48 Cb -0.16 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.07 3ko4 s THR 48 CO 0.12 0.00 1.63 1.87 -0.54 0.00 0.00 174.62 177.70 3ko4 n TRP 49 N -3.43 0.38 0.05 3.99 -0.00 -1.26 -2.93 117.44 114.24 3ko4 n TRP 49 Ca 0.16 0.14 -0.16 0.00 -0.00 0.00 0.00 57.50 57.63 3ko4 n TRP 49 Cb 0.60 -0.73 -0.06 0.00 -0.00 0.00 0.00 31.31 31.12 3ko4 n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3ko4 h GLU 50 N 0.00 0.57 -0.93 5.87 4.39 -1.98 -1.47 114.58 121.03 3ko4 h GLU 50 Ca 0.00 -0.58 0.02 0.00 0.34 0.00 0.00 59.36 59.14 3ko4 h GLU 50 Cb 0.36 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 3ko4 h GLU 50 CO 0.00 1.20 0.61 -0.44 -1.16 0.00 0.00 179.01 179.22 3ko4 h ASP 51 N 0.33 1.05 0.05 1.42 3.45 -1.92 -0.53 116.42 120.28 3ko4 h ASP 51 Ca -0.09 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.34 3ko4 h ASP 51 Cb 1.58 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 3ko4 h ASP 51 CO 0.18 0.75 -0.02 0.00 -1.57 0.00 0.00 179.24 178.57 3ko4 h ALA 52 N 1.35 -0.07 -0.44 3.45 0.00 -1.58 -2.70 119.26 119.28 3ko4 h ALA 52 Ca 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3ko4 h ALA 52 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3ko4 h ALA 52 CO -0.09 -0.47 0.29 1.25 0.00 0.00 0.00 179.25 180.23 3ko4 h LEU 53 N -0.20 0.50 -0.24 0.00 5.85 -0.75 -0.31 115.31 120.17 3ko4 h LEU 53 Ca -0.01 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.49 3ko4 h LEU 53 Cb 0.17 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ko4 h LEU 53 CO 0.01 0.36 -0.88 0.22 -0.34 0.00 0.00 178.44 177.81 3ko4 h TYR 54 N 0.59 0.56 -0.09 1.25 3.20 -1.13 -2.30 116.97 119.05 3ko4 h TYR 54 Ca 0.16 -0.29 -0.10 0.00 3.14 0.00 0.00 58.73 61.64 3ko4 h TYR 54 Cb -0.07 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3ko4 h TYR 54 CO -0.00 1.09 -0.40 0.82 -1.64 0.00 0.00 178.16 178.03 3ko4 h ILE 55 N 0.23 1.31 -0.05 1.81 1.08 -0.80 -1.78 117.51 119.30 3ko4 h ILE 55 Ca -0.06 -1.48 -0.07 0.00 -0.39 0.00 0.00 64.86 62.85 3ko4 h ILE 55 Cb 1.50 1.69 0.00 0.00 -3.07 0.00 0.00 36.82 36.95 3ko4 h ILE 55 CO 0.15 0.44 -0.24 0.40 -0.69 0.00 0.00 178.15 178.22 3ko4 h ILE 56 N 0.16 1.46 -0.60 -0.67 2.04 -1.06 -1.96 117.51 116.88 3ko4 h ILE 56 Ca 0.01 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.19 3ko4 h ILE 56 Cb 0.79 2.42 -0.03 0.00 -0.74 0.00 0.00 36.82 39.26 3ko4 h ILE 56 CO 0.06 0.48 0.38 -0.09 0.00 0.00 0.00 178.15 178.98 3ko4 h ARG 57 N -0.31 0.74 0.05 2.37 2.43 -1.39 -2.43 114.38 115.85 3ko4 h ARG 57 Ca -0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ko4 h ARG 57 Cb 0.90 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3ko4 h ARG 57 CO 0.05 0.49 -0.02 0.87 -1.51 0.00 0.00 179.97 179.85 3ko4 h LYS 58 N 0.77 -0.07 -0.73 0.20 1.79 -1.34 -0.26 116.57 116.93 3ko4 h LYS 58 Ca 0.23 0.00 0.12 0.00 -2.18 0.00 0.00 60.65 58.83 3ko4 h LYS 58 Cb -0.03 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 30.55 3ko4 h LYS 58 CO -0.08 0.08 0.31 0.00 -1.08 0.00 0.00 179.45 178.69 3ko4 h LEU 60 N 0.49 -0.16 -0.02 0.00 3.38 -1.27 -3.38 115.31 114.36 3ko4 h LEU 60 Ca 0.39 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3ko4 h LEU 60 Cb 0.53 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ko4 h LEU 60 CO -0.35 0.00 0.00 0.59 0.09 0.00 0.00 178.44 178.77 3ko4 n ASN 61 N -3.15 0.06 -4.67 -0.43 3.02 -0.12 -3.35 115.26 106.61 3ko4 n ASN 61 Ca -0.02 0.51 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 3ko4 n ASN 61 Cb 0.07 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 3ko4 n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ko4 s LEU 62 N -3.11 4.39 -0.51 3.41 1.43 -0.22 -4.74 118.68 119.33 3ko4 s LEU 62 Ca 0.11 2.57 -0.17 0.00 -1.03 0.00 0.00 54.13 55.61 3ko4 s LEU 62 Cb 0.15 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.91 3ko4 s LEU 62 CO 0.45 -0.99 0.54 -0.13 0.23 0.00 0.00 176.35 176.45 3ko4 s ARG 63 N 3.75 3.05 0.00 1.70 0.52 -1.26 -4.28 118.95 122.43 3ko4 s ARG 63 Ca 0.82 -1.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3ko4 s ARG 63 Cb -0.41 -4.15 0.00 0.00 0.52 0.00 0.00 34.95 30.91 3ko4 s ARG 63 CO 0.37 -1.21 0.53 1.28 0.02 0.00 0.00 175.30 176.29 3ko4 n LEU 64 N 5.77 1.05 -4.45 2.53 4.77 0.25 -4.34 117.00 122.58 3ko4 n LEU 64 Ca -0.10 -1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 54.40 3ko4 n LEU 64 Cb 0.44 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.43 3ko4 n LEU 64 CO 0.52 0.26 -0.04 0.26 -1.33 0.00 0.00 177.39 177.07 3ko4 s TRP 65 N -0.09 3.23 -0.89 -1.77 0.51 0.33 -4.73 118.94 115.54 3ko4 s TRP 65 Ca 0.00 -0.63 -0.25 0.00 -2.12 0.00 0.00 56.10 53.11 3ko4 s TRP 65 Cb 0.00 -2.70 -0.04 0.00 -0.81 0.00 0.00 33.47 29.91 3ko4 s TRP 65 CO 0.00 -0.63 1.93 -0.80 -0.51 0.00 0.00 176.95 176.94 3ko4 s ASN 66 N 1.83 5.19 -0.06 2.95 -0.87 -1.26 0.14 114.94 122.86 3ko4 s ASN 66 Ca 0.05 -0.64 -0.29 0.00 -1.57 0.00 0.00 52.86 50.41 3ko4 s ASN 66 Cb -0.20 -2.56 -0.07 0.00 -0.02 0.00 0.00 41.25 38.41 3ko4 s ASN 66 CO 0.10 -2.69 1.95 0.21 -2.57 0.00 0.00 177.10 174.10 3ko4 s ASN 67 N 7.94 6.25 -0.95 -1.22 3.84 -1.22 -4.77 114.94 124.80 3ko4 s ASN 67 Ca 0.69 2.33 -0.30 0.00 0.21 0.00 0.00 52.86 55.80 3ko4 s ASN 67 Cb -0.07 -2.53 -0.21 0.00 -0.55 0.00 0.00 41.25 37.90 3ko4 s ASN 67 CO 0.00 -1.26 2.65 -0.67 -2.79 0.00 0.00 177.10 175.03 3ko4 n ASP 68 N 8.51 0.41 0.00 -4.21 4.64 -1.26 0.34 116.55 124.98 3ko4 n ASP 68 Ca 0.22 0.08 0.00 0.00 -1.38 0.00 0.00 54.79 53.71 3ko4 n ASP 68 Cb 0.43 -0.97 0.00 0.00 -1.04 0.00 0.00 41.12 39.54 3ko4 n ASP 68 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 3ko4 n ASN 69 N 10.85 0.00 -4.96 1.67 5.15 -1.26 -5.11 115.26 121.59 3ko4 n ASN 69 Ca 0.63 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 54.39 3ko4 n ASN 69 Cb 0.08 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.35 3ko4 n ASN 69 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ko4 s LYS 70 N 0.00 2.38 0.16 1.20 1.02 0.15 -5.15 119.74 119.50 3ko4 s LYS 70 Ca 0.00 -1.72 0.11 0.00 0.02 0.00 0.00 55.97 54.38 3ko4 s LYS 70 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.85 3ko4 s LYS 70 CO 0.00 -0.61 -0.24 0.95 -0.92 0.00 0.00 175.35 174.53 3ko4 s THR 71 N -2.64 2.19 -1.53 2.17 -4.23 -1.26 -3.45 115.64 106.89 3ko4 s THR 71 Ca 0.49 -1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.04 3ko4 s THR 71 Cb -0.04 -1.99 0.07 0.00 1.34 0.00 0.00 72.50 71.88 3ko4 s THR 71 CO 0.30 -0.06 0.66 0.79 -0.54 0.00 0.00 174.62 175.77 3ko4 n TRP 72 N 0.58 -1.81 -0.09 3.99 7.02 -1.26 -4.82 117.44 121.06 3ko4 n TRP 72 Ca -0.15 0.80 -0.15 0.00 -1.02 0.00 0.00 57.50 56.97 3ko4 n TRP 72 Cb 0.55 -3.54 -0.14 0.00 -2.42 0.00 0.00 31.31 25.76 3ko4 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko4 n ASP 73 N -2.85 1.32 -4.38 -0.99 2.03 -0.57 -4.62 116.55 106.49 3ko4 n ASP 73 Ca -0.11 0.01 -0.31 0.00 0.52 0.00 0.00 54.79 54.89 3ko4 n ASP 73 Cb 0.59 -0.04 -0.15 0.00 -0.72 0.00 0.00 41.12 40.81 3ko4 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko4 s LYS 74 N -2.53 2.11 0.00 -0.67 -0.14 0.37 -4.90 119.74 113.97 3ko4 s LYS 74 Ca -0.23 -0.94 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 3ko4 s LYS 74 Cb 0.08 -2.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.11 3ko4 s LYS 74 CO 0.72 0.56 0.00 0.27 -0.76 0.00 0.00 175.35 176.13 3ko4 n ASN 75 N 2.10 0.00 0.11 2.83 0.23 -1.26 0.12 115.26 119.40 3ko4 n ASN 75 Ca -0.16 -0.26 -0.08 0.00 -0.53 0.00 0.00 54.58 53.54 3ko4 n ASN 75 Cb 0.52 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.17 3ko4 n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ko4 h VAL 76 N -0.02 0.31 -0.87 3.53 2.07 -1.75 -3.14 116.25 116.38 3ko4 h VAL 76 Ca 0.00 -0.85 0.20 0.00 0.82 0.00 0.00 66.70 66.87 3ko4 h VAL 76 Cb 0.00 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 3ko4 h VAL 76 CO 0.00 0.08 0.37 0.11 0.02 0.00 0.00 177.57 178.15 3ko4 h LYS 77 N -1.03 0.40 -0.57 1.57 1.57 -1.87 -0.34 116.57 116.30 3ko4 h LYS 77 Ca -0.04 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.83 3ko4 h LYS 77 Cb 0.41 -0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.53 3ko4 h LYS 77 CO 0.06 0.26 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.68 3ko4 h ASP 78 N 0.41 -0.41 -0.56 0.86 3.32 -1.93 -2.84 116.42 115.27 3ko4 h ASP 78 Ca 0.53 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.74 3ko4 h ASP 78 Cb 0.96 0.31 0.00 0.00 0.22 0.00 0.00 39.33 40.82 3ko4 h ASP 78 CO -0.51 -0.15 0.00 0.18 -1.72 0.00 0.00 179.24 177.04 3ko4 n LEU 79 N -5.34 4.41 -3.81 1.55 4.77 -0.22 -4.96 117.00 113.40 3ko4 n LEU 79 Ca 0.07 -2.46 -0.25 0.00 -0.03 0.00 0.00 56.01 53.34 3ko4 n LEU 79 Cb 0.31 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3ko4 n LEU 79 CO 0.10 0.79 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.73 3ko4 n ASN 80 N 0.84 -2.53 -4.04 -1.43 4.05 -0.68 -5.00 115.26 106.47 3ko4 n ASN 80 Ca 0.23 -0.82 -0.15 0.00 0.45 0.00 0.00 54.58 54.29 3ko4 n ASN 80 Cb 0.83 -3.90 0.03 0.00 1.23 0.00 0.00 39.78 37.97 3ko4 n ASN 80 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 3ko4 n TYR 81 N -4.45 -2.04 -4.35 1.20 4.01 -1.08 -5.06 117.16 105.40 3ko4 n TYR 81 Ca -0.16 -1.53 -0.24 0.00 -0.16 0.00 0.00 57.90 55.81 3ko4 n TYR 81 Cb 0.62 -0.37 -0.08 0.00 -0.31 0.00 0.00 39.34 39.20 3ko4 n TYR 81 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3ko4 s GLU 82 N -3.77 2.06 -0.10 -0.72 2.02 -1.00 -4.80 118.70 112.39 3ko4 s GLU 82 Ca 0.37 -1.66 -0.00 0.00 0.02 0.00 0.00 54.97 53.70 3ko4 s GLU 82 Cb -0.03 -1.96 0.02 0.00 0.10 0.00 0.00 34.13 32.26 3ko4 s GLU 82 CO 0.23 0.25 -0.07 -0.51 0.02 0.00 0.00 175.26 175.18 3ko4 s LEU 83 N -3.66 1.16 -0.19 1.80 1.02 -0.63 -0.91 118.68 117.28 3ko4 s LEU 83 Ca 0.33 -0.27 -0.08 0.00 0.02 0.00 0.00 54.13 54.12 3ko4 s LEU 83 Cb -0.03 -0.78 -0.04 0.00 0.02 0.00 0.00 46.19 45.35 3ko4 s LEU 83 CO 0.19 -0.11 0.09 -0.22 0.02 0.00 0.00 176.35 176.31 3ko4 s LEU 84 N 1.62 3.98 -0.21 1.79 2.96 -0.07 0.27 118.68 129.02 3ko4 s LEU 84 Ca 0.03 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3ko4 s LEU 84 Cb -0.13 -2.01 0.05 0.00 0.50 0.00 0.00 46.19 44.60 3ko4 s LEU 84 CO -0.07 0.18 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 3ko4 s ILE 85 N 0.34 1.42 -0.06 6.68 -1.09 -0.10 -0.46 121.20 127.93 3ko4 s ILE 85 Ca 0.05 -1.03 0.06 0.00 -2.23 0.00 0.00 60.65 57.50 3ko4 s ILE 85 Cb -0.12 -1.64 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3ko4 s ILE 85 CO -0.01 -0.00 -0.23 -0.69 -1.23 0.00 0.00 174.94 172.78 3ko4 s VAL 86 N 1.46 2.24 -0.39 2.92 1.01 -0.30 -3.78 120.40 123.55 3ko4 s VAL 86 Ca -0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.65 3ko4 s VAL 86 Cb -0.17 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3ko4 s VAL 86 CO -0.07 0.57 1.38 -0.55 0.00 0.00 0.00 175.10 176.43 3ko4 s SER 87 N -0.23 6.41 -0.30 3.32 0.15 -1.26 0.05 113.70 121.85 3ko4 s SER 87 Ca -0.01 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.56 3ko4 s SER 87 Cb -0.13 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.72 3ko4 s SER 87 CO 0.03 -1.36 -0.03 -1.10 1.20 0.00 0.00 173.24 171.99 3ko4 s GLN 88 N 4.76 1.90 0.22 5.44 -1.52 0.38 -4.83 119.66 126.02 3ko4 s GLN 88 Ca 0.60 -1.60 0.12 0.00 -1.95 0.00 0.00 55.36 52.53 3ko4 s GLN 88 Cb -0.14 -3.06 0.03 0.00 -0.22 0.00 0.00 33.01 29.61 3ko4 s GLN 88 CO 0.31 -0.75 1.41 0.27 -0.25 0.00 0.00 175.29 176.28 3ko4 h PHE 89 N 7.72 0.00 0.00 0.91 -5.15 -1.94 -3.00 116.94 115.47 3ko4 h PHE 89 Ca -0.12 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.65 3ko4 h PHE 89 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.20 3ko4 h PHE 89 CO 0.56 0.71 0.34 1.79 -2.00 0.00 0.00 178.31 179.71 3ko4 h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.92 -1.09 112.91 112.13 3ko4 h THR 90 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3ko4 h THR 90 Cb 1.48 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3ko4 h THR 90 CO 0.09 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 3ko4 n LEU 91 N -2.55 0.00 -1.44 3.87 4.77 -1.25 -1.27 117.00 119.13 3ko4 n LEU 91 Ca -0.01 0.29 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 3ko4 n LEU 91 Cb 0.37 -0.29 0.20 0.00 -2.33 0.00 0.00 43.42 41.37 3ko4 n LEU 91 CO 0.10 -0.15 0.85 0.49 -1.33 0.00 0.00 177.39 177.35 3ko4 n PHE 92 N -1.29 1.61 -2.66 -1.77 3.72 -0.41 -4.95 117.46 111.71 3ko4 n PHE 92 Ca 0.07 -1.63 -0.42 0.00 -0.05 0.00 0.00 57.45 55.42 3ko4 n PHE 92 Cb 0.12 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 3ko4 n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ko4 s GLY 93 N -2.17 1.06 0.26 1.37 0.00 -0.40 -4.38 107.32 103.07 3ko4 s GLY 93 Ca 0.48 -1.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.39 3ko4 s GLY 93 CO 0.03 2.44 1.26 -2.01 0.00 0.00 0.00 173.10 174.83 3ko4 n ASN 94 N 8.78 2.25 0.00 1.64 5.15 -1.15 -4.78 115.26 127.14 3ko4 n ASN 94 Ca 0.01 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3ko4 n ASN 94 Cb 0.48 -1.38 0.00 0.00 -0.53 0.00 0.00 39.78 38.35 3ko4 n ASN 94 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3ko4 n THR 95 N 1.14 0.45 0.06 -0.44 -2.24 -1.26 -3.08 114.28 108.91 3ko4 n THR 95 Ca 0.10 -0.52 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 3ko4 n THR 95 Cb 0.32 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.41 3ko4 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko4 h LYS 96 N 0.00 0.40 0.09 -0.78 1.57 -1.93 -3.39 116.57 112.54 3ko4 h LYS 96 Ca 0.00 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3ko4 h LYS 96 Cb 0.59 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.00 3ko4 h LYS 96 CO 0.00 1.03 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.64 3ko4 h LYS 97 N 0.25 -0.12 0.00 3.15 1.63 -1.89 -3.49 116.57 116.11 3ko4 h LYS 97 Ca -0.05 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3ko4 h LYS 97 Cb 1.43 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.09 3ko4 h LYS 97 CO 0.14 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 176.77 3ko4 n GLY 98 N -0.18 2.84 2.62 5.01 0.00 -1.26 -5.03 105.19 109.19 3ko4 n GLY 98 Ca -0.08 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 3ko4 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko4 n ASN 99 N 0.00 6.17 -3.17 1.61 3.02 -1.26 -4.89 115.26 116.74 3ko4 n ASN 99 Ca 0.00 -3.78 0.03 0.00 -0.03 0.00 0.00 54.58 50.80 3ko4 n ASN 99 Cb 0.00 -0.75 -0.02 0.00 -0.61 0.00 0.00 39.78 38.40 3ko4 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko4 s LYS 100 N -3.80 0.55 0.05 3.52 2.20 -1.26 -5.15 119.74 115.86 3ko4 s LYS 100 Ca 0.51 0.95 -0.31 0.00 -0.36 0.00 0.00 55.97 56.77 3ko4 s LYS 100 Cb 0.43 0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 37.15 3ko4 s LYS 100 CO -0.26 -0.64 1.24 -1.25 -0.36 0.00 0.00 175.35 174.08 3ko4 s PRO 101 N 2.83 4.40 -0.20 4.03 0.04 -1.24 -4.82 135.00 140.04 3ko4 s PRO 101 Ca 0.20 1.82 -0.06 0.00 0.04 0.00 0.00 61.00 62.99 3ko4 s PRO 101 Cb -0.15 -3.36 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 3ko4 s PRO 101 CO -0.21 -0.32 0.03 0.16 0.04 0.00 0.00 177.00 176.71 3ko4 s ASP 102 N 1.15 5.13 -0.36 6.66 1.47 -1.18 -4.81 116.67 124.73 3ko4 s ASP 102 Ca 0.60 -0.12 0.07 0.00 1.18 0.00 0.00 52.55 54.28 3ko4 s ASP 102 Cb -0.30 -1.88 0.62 0.00 -0.34 0.00 0.00 42.92 41.01 3ko4 s ASP 102 CO 0.29 0.08 1.72 0.49 0.68 0.00 0.00 175.17 178.42 3ko4 n PHE 103 N 4.15 2.17 0.22 2.11 3.72 -1.26 -2.95 117.46 125.63 3ko4 n PHE 103 Ca -0.17 -1.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.63 3ko4 n PHE 103 Cb 0.52 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3ko4 n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ko4 n HIS 104 N -0.94 0.00 0.00 1.38 8.25 -1.26 -1.49 115.22 121.16 3ko4 n HIS 104 Ca 0.46 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 3ko4 n HIS 104 Cb 1.37 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 32.27 3ko4 n HIS 104 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ko4 n LEU 105 N 1.08 0.00 -4.72 2.41 7.94 -1.26 -5.09 117.00 117.36 3ko4 n LEU 105 Ca 0.00 -0.01 -0.30 0.00 -1.11 0.00 0.00 56.01 54.58 3ko4 n LEU 105 Cb 0.18 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.26 3ko4 n LEU 105 CO 0.00 0.00 0.68 0.00 -1.11 0.00 0.00 177.39 176.96 3ko4 s ALA 106 N -0.07 1.73 0.63 1.96 0.00 -0.55 -3.29 121.76 122.16 3ko4 s ALA 106 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.96 3ko4 s ALA 106 Cb 0.00 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3ko4 s ALA 106 CO 0.00 -2.25 1.17 0.21 0.00 0.00 0.00 175.76 174.89 3ko4 s LYS 107 N -4.86 2.80 -0.14 0.00 2.20 -0.41 -3.94 119.74 115.40 3ko4 s LYS 107 Ca 0.63 1.67 -0.29 0.00 -0.36 0.00 0.00 55.97 57.62 3ko4 s LYS 107 Cb -0.19 -1.93 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 3ko4 s LYS 107 CO 0.57 -1.30 1.54 -2.00 -0.36 0.00 0.00 175.35 173.80 3ko4 s GLU 108 N -3.64 4.08 0.15 4.03 -6.30 -1.26 -4.83 118.70 110.92 3ko4 s GLU 108 Ca 0.73 1.88 -0.00 0.00 -2.50 0.00 0.00 54.97 55.09 3ko4 s GLU 108 Cb -0.27 -3.94 0.34 0.00 0.00 0.00 0.00 34.13 30.26 3ko4 s GLU 108 CO 0.37 -0.95 0.76 -2.30 0.02 0.00 0.00 175.26 173.16 3ko4 n PRO 109 N 7.16 -0.04 0.04 4.30 -0.02 -1.26 -1.95 135.00 143.22 3ko4 n PRO 109 Ca 0.17 0.74 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3ko4 n PRO 109 Cb 0.44 -1.15 -0.07 0.00 -0.02 0.00 0.00 33.50 32.69 3ko4 n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ko4 h ASN 110 N 0.00 -0.01 -0.15 2.55 2.35 -2.00 0.23 115.58 118.55 3ko4 h ASN 110 Ca 0.28 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3ko4 h ASN 110 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.92 3ko4 h ASN 110 CO -0.47 0.07 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.03 3ko4 h GLU 111 N -0.09 0.27 -0.93 0.81 5.08 -1.79 -3.05 114.58 114.89 3ko4 h GLU 111 Ca -0.00 -0.10 0.27 0.00 -1.00 0.00 0.00 59.36 58.53 3ko4 h GLU 111 Cb 0.09 -0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.17 3ko4 h GLU 111 CO 0.00 0.54 0.31 0.00 -1.00 0.00 0.00 179.01 178.86 3ko4 h ALA 112 N 0.73 1.48 -0.24 3.43 0.00 -1.24 0.25 119.26 123.67 3ko4 h ALA 112 Ca 0.04 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ko4 h ALA 112 Cb 0.43 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3ko4 h ALA 112 CO 0.01 -0.54 0.15 1.25 0.00 0.00 0.00 179.25 180.12 3ko4 h LEU 113 N 0.20 0.29 -0.50 0.00 5.85 -0.45 0.24 115.31 120.93 3ko4 h LEU 113 Ca 0.62 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 59.24 3ko4 h LEU 113 Cb 1.34 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3ko4 h LEU 113 CO -0.68 0.24 0.06 0.40 -0.34 0.00 0.00 178.44 178.12 3ko4 h ILE 114 N 0.31 1.25 -0.62 4.05 2.04 -0.63 -1.52 117.51 122.38 3ko4 h ILE 114 Ca 0.09 -0.96 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 3ko4 h ILE 114 Cb -0.00 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3ko4 h ILE 114 CO -0.02 0.34 0.31 0.15 0.00 0.00 0.00 178.15 178.94 3ko4 h PHE 115 N 0.71 0.86 0.92 1.37 -0.00 -0.54 -2.08 116.94 118.18 3ko4 h PHE 115 Ca 0.15 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.97 58.05 3ko4 h PHE 115 Cb 0.42 -0.27 0.01 0.00 -0.00 0.00 0.00 35.95 36.11 3ko4 h PHE 115 CO 0.03 0.62 -0.44 -0.92 -0.00 0.00 0.00 178.31 177.60 3ko4 h TYR 116 N 0.87 -1.15 -1.00 0.41 5.03 -0.14 -1.98 116.97 119.01 3ko4 h TYR 116 Ca 0.22 -0.03 0.23 0.00 2.58 0.00 0.00 58.73 61.73 3ko4 h TYR 116 Cb 0.07 0.38 -0.10 0.00 1.55 0.00 0.00 36.73 38.63 3ko4 h TYR 116 CO 0.01 -0.71 0.63 -0.91 -1.32 0.00 0.00 178.16 175.85 3ko4 h ASN 117 N -1.29 0.60 -0.26 -2.11 2.35 -1.18 0.24 115.58 113.94 3ko4 h ASN 117 Ca -0.13 0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3ko4 h ASN 117 Cb 0.95 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 3ko4 h ASN 117 CO 0.21 0.16 0.14 0.11 -1.65 0.00 0.00 177.43 176.40 3ko4 h LYS 118 N 0.55 0.36 -0.41 0.81 1.57 -1.28 -1.66 116.57 116.51 3ko4 h LYS 118 Ca 0.58 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.31 3ko4 h LYS 118 Cb 1.21 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3ko4 h LYS 118 CO -0.34 0.31 0.22 0.82 -0.57 0.00 0.00 179.45 179.89 3ko4 h ILE 119 N 0.30 1.13 -0.21 1.86 2.04 0.21 -0.63 117.51 122.21 3ko4 h ILE 119 Ca 0.09 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 3ko4 h ILE 119 Cb 0.06 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 3ko4 h ILE 119 CO -0.01 0.14 -0.27 0.40 0.00 0.00 0.00 178.15 178.40 3ko4 h ILE 120 N 0.56 1.27 0.64 -0.67 1.08 -0.85 -1.78 117.51 117.75 3ko4 h ILE 120 Ca 0.15 -1.28 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 3ko4 h ILE 120 Cb 0.02 1.41 0.01 0.00 -3.07 0.00 0.00 36.82 35.18 3ko4 h ILE 120 CO -0.02 0.40 -0.31 0.44 -0.69 0.00 0.00 178.15 177.97 3ko4 h ASP 121 N 0.36 -0.72 -0.62 1.72 3.32 -0.28 -2.66 116.42 117.54 3ko4 h ASP 121 Ca 0.05 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.30 3ko4 h ASP 121 Cb 0.67 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3ko4 h ASP 121 CO 0.05 -0.42 0.44 -0.08 -1.72 0.00 0.00 179.24 177.51 3ko4 h GLU 122 N -1.05 0.01 -0.06 3.56 4.57 -1.18 0.11 114.58 120.54 3ko4 h GLU 122 Ca -0.09 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 3ko4 h GLU 122 Cb 0.65 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3ko4 h GLU 122 CO 0.14 0.01 -0.02 0.74 -1.18 0.00 0.00 179.01 178.70 3ko4 h PHE 123 N 0.01 0.14 -0.66 0.92 0.04 -1.33 -1.65 116.94 114.41 3ko4 h PHE 123 Ca 0.29 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 61.03 3ko4 h PHE 123 Cb 1.17 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.25 3ko4 h PHE 123 CO -0.00 0.48 0.41 0.87 -0.60 0.00 0.00 178.31 179.47 3ko4 h LYS 124 N -0.24 0.90 -0.51 1.51 1.57 -0.68 -2.11 116.57 117.01 3ko4 h LYS 124 Ca 0.01 -0.08 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3ko4 h LYS 124 Cb 0.44 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3ko4 h LYS 124 CO 0.01 0.63 0.25 -0.22 -0.57 0.00 0.00 179.45 179.55 3ko4 h LYS 125 N 0.90 0.47 0.00 3.15 3.64 -0.87 0.11 116.57 123.96 3ko4 h LYS 125 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3ko4 h LYS 125 Cb -0.04 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3ko4 h LYS 125 CO -0.05 0.31 -0.07 1.96 -2.27 0.00 0.00 179.45 179.33 3ko4 h GLN 126 N 0.48 0.00 0.00 1.90 4.20 -0.91 -3.40 115.11 117.38 3ko4 h GLN 126 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ko4 h GLN 126 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3ko4 h GLN 126 CO -0.17 0.00 -0.65 0.98 -0.67 0.00 0.00 178.83 178.31 3ko4 n TYR 127 N -2.91 0.00 0.00 2.96 9.36 -0.83 -5.10 117.16 120.64 3ko4 n TYR 127 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3ko4 n TYR 127 Cb 0.51 0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 3ko4 n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3ko4 n ASN 128 N -2.27 0.00 0.15 2.98 2.85 0.36 -4.96 115.26 114.37 3ko4 n ASN 128 Ca 0.00 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.50 3ko4 n ASN 128 Cb 0.33 0.00 0.15 0.00 1.24 0.00 0.00 39.78 41.49 3ko4 n ASN 128 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3ko4 h ASP 129 N 0.00 0.00 -0.36 1.20 -0.00 -1.86 -3.23 116.42 112.16 3ko4 h ASP 129 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.01 3ko4 h ASP 129 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.31 3ko4 h ASP 129 CO 0.00 0.49 0.13 -0.78 -0.00 0.00 0.00 179.24 179.08 3ko4 h ASP 130 N 0.00 0.50 -0.33 4.15 3.58 -1.95 -3.31 116.42 119.07 3ko4 h ASP 130 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 3ko4 h ASP 130 Cb 1.21 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.13 3ko4 h ASP 130 CO 0.06 0.54 0.00 0.29 -2.88 0.00 0.00 179.24 177.26 3ko4 n LYS 131 N -4.67 1.87 -4.73 0.28 4.76 -1.22 -4.76 118.16 109.69 3ko4 n LYS 131 Ca -0.01 -1.22 -0.33 0.00 -2.87 0.00 0.00 58.31 53.88 3ko4 n LYS 131 Cb 0.15 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 3ko4 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko4 s ILE 132 N -1.58 3.20 0.06 -0.18 -1.09 -1.25 -1.61 121.20 118.76 3ko4 s ILE 132 Ca 0.23 -0.62 0.08 0.00 -2.23 0.00 0.00 60.65 58.11 3ko4 s ILE 132 Cb 0.12 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.63 3ko4 s ILE 132 CO 0.14 0.53 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.61 3ko4 s LYS 133 N 0.23 1.46 0.35 2.79 -0.14 0.14 -4.97 119.74 119.60 3ko4 s LYS 133 Ca -0.07 -1.05 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 3ko4 s LYS 133 Cb -0.15 -1.65 -0.00 0.00 -1.68 0.00 0.00 37.83 34.35 3ko4 s LYS 133 CO 0.05 0.42 0.01 0.44 -0.76 0.00 0.00 175.35 175.50 3ko4 n ILE 134 N 1.65 0.00 -4.67 2.17 -5.35 -1.26 -0.92 119.36 110.97 3ko4 n ILE 134 Ca -0.17 -1.66 -0.30 0.00 -0.27 0.00 0.00 62.75 60.34 3ko4 n ILE 134 Cb 0.53 0.35 -0.07 0.00 -1.74 0.00 0.00 39.64 38.71 3ko4 n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ko4 n GLY 135 N 0.76 3.49 3.47 3.28 0.00 -1.25 -4.71 105.19 110.24 3ko4 n GLY 135 Ca -0.14 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.15 3ko4 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ko4 s LYS 136 N -3.71 3.68 0.05 1.61 1.02 -1.26 -5.00 119.74 116.13 3ko4 s LYS 136 Ca 0.06 -1.80 -0.18 0.00 0.02 0.00 0.00 55.97 54.06 3ko4 s LYS 136 Cb 0.00 -5.02 -0.10 0.00 -0.52 0.00 0.00 37.83 32.20 3ko4 s LYS 136 CO 0.04 -1.85 0.43 0.34 -0.92 0.00 0.00 175.35 173.39 3ko4 n PHE 137 N 6.79 0.06 0.00 3.18 7.35 -1.26 -1.73 117.46 131.85 3ko4 n PHE 137 Ca 0.28 0.54 0.00 0.00 -0.76 0.00 0.00 57.45 57.50 3ko4 n PHE 137 Cb 0.48 -1.07 0.00 0.00 0.35 0.00 0.00 39.48 39.25 3ko4 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko4 n GLY 138 N 0.91 0.93 3.77 7.13 0.00 -1.26 -4.95 105.19 111.71 3ko4 n GLY 138 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3ko4 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko4 s ASN 139 N 0.00 6.59 0.47 1.61 0.01 -0.71 -4.99 114.94 117.92 3ko4 s ASN 139 Ca 0.00 2.28 -0.24 0.00 -0.71 0.00 0.00 52.86 54.18 3ko4 s ASN 139 Cb 0.00 -2.61 -0.08 0.00 0.41 0.00 0.00 41.25 38.98 3ko4 s ASN 139 CO 0.00 -0.62 1.40 0.00 -1.51 0.00 0.00 177.10 176.37 3ko4 n TYR 140 N 0.07 2.55 -4.18 2.20 9.36 -1.26 -4.87 117.16 121.04 3ko4 n TYR 140 Ca 0.04 0.44 -0.11 0.00 3.32 0.00 0.00 57.90 61.60 3ko4 n TYR 140 Cb 0.47 -2.43 -0.10 0.00 -0.63 0.00 0.00 39.34 36.65 3ko4 n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3ko4 s MET 141 N -2.53 0.90 -0.21 2.98 -1.94 -1.26 -4.41 119.30 112.82 3ko4 s MET 141 Ca 0.64 -1.39 -0.02 0.00 -1.71 0.00 0.00 55.69 53.20 3ko4 s MET 141 Cb -0.45 -0.11 0.07 0.00 2.01 0.00 0.00 34.83 36.35 3ko4 s MET 141 CO 0.56 -0.09 0.04 1.21 -0.01 0.00 0.00 175.02 176.72 3ko4 s ASN 142 N -3.07 3.16 -0.38 3.03 2.47 0.33 -4.97 114.94 115.50 3ko4 s ASN 142 Ca 0.16 -0.97 0.03 0.00 0.42 0.00 0.00 52.86 52.51 3ko4 s ASN 142 Cb 0.06 -0.68 0.11 0.00 -1.45 0.00 0.00 41.25 39.29 3ko4 s ASN 142 CO -0.02 -0.31 0.11 -0.63 -3.72 0.00 0.00 177.10 172.52 3ko4 s ILE 143 N 1.79 2.44 -0.19 -5.21 1.01 -1.26 -1.27 121.20 118.51 3ko4 s ILE 143 Ca -0.00 -2.53 -0.29 0.00 0.00 0.00 0.00 60.65 57.84 3ko4 s ILE 143 Cb -0.17 -2.77 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 3ko4 s ILE 143 CO -0.10 -0.65 2.02 -1.81 0.00 0.00 0.00 174.94 174.39 3ko4 s ASP 144 N 0.73 5.85 -0.17 3.58 1.01 -0.46 -4.85 116.67 122.36 3ko4 s ASP 144 Ca 0.12 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.30 3ko4 s ASP 144 Cb -0.21 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.23 3ko4 s ASP 144 CO -0.06 -1.64 -0.15 -0.69 0.21 0.00 0.00 175.17 172.84 3ko4 s VAL 145 N 6.88 1.72 -0.88 -1.27 1.01 -1.26 0.13 120.40 126.73 3ko4 s VAL 145 Ca 0.91 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 3ko4 s VAL 145 Cb -0.32 -1.65 0.12 0.00 0.00 0.00 0.00 36.38 34.53 3ko4 s VAL 145 CO 0.35 0.40 1.09 -0.89 0.00 0.00 0.00 175.10 176.05 3ko4 s THR 146 N 1.41 4.68 0.08 3.92 2.01 -0.67 -5.01 115.64 122.05 3ko4 s THR 146 Ca 0.03 -1.40 -0.31 0.00 0.31 0.00 0.00 61.69 60.32 3ko4 s THR 146 Cb -0.14 -4.76 -0.08 0.00 0.01 0.00 0.00 72.50 67.54 3ko4 s THR 146 CO -0.11 -1.48 1.57 0.20 -0.69 0.00 0.00 174.62 174.11 3ko4 s ASN 147 N 3.63 6.66 -0.50 3.53 0.01 -1.26 -0.55 114.94 126.46 3ko4 s ASN 147 Ca 0.30 2.43 -0.10 0.00 -0.71 0.00 0.00 52.86 54.79 3ko4 s ASN 147 Cb -0.07 -2.57 0.13 0.00 0.41 0.00 0.00 41.25 39.15 3ko4 s ASN 147 CO -0.06 -0.83 0.39 -0.62 -1.51 0.00 0.00 177.10 174.46 3ko4 s ASP 148 N 1.99 5.79 0.00 -1.22 2.15 0.44 -4.67 116.67 121.15 3ko4 s ASP 148 Ca 0.71 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.71 3ko4 s ASP 148 Cb -0.39 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3ko4 s ASP 148 CO 0.31 -0.70 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 3ko4 n GLY 149 N 4.85 2.00 3.82 2.66 0.00 -1.26 -3.25 105.19 114.01 3ko4 n GLY 149 Ca -0.07 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 3ko4 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko4 s PRO 150 N 0.00 4.10 -0.09 1.61 0.04 -1.26 -5.17 135.00 134.23 3ko4 s PRO 150 Ca 0.00 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.13 3ko4 s PRO 150 Cb 0.00 -2.16 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3ko4 s PRO 150 CO 0.00 -0.14 -0.08 0.08 0.04 0.00 0.00 177.00 176.89 3ko4 s VAL 151 N -2.30 3.56 -0.26 -0.36 1.01 -1.20 -5.02 120.40 115.83 3ko4 s VAL 151 Ca 0.62 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3ko4 s VAL 151 Cb -0.10 -2.48 0.12 0.00 0.00 0.00 0.00 36.38 33.92 3ko4 s VAL 151 CO 0.19 0.57 0.25 -0.89 0.00 0.00 0.00 175.10 175.22 3ko4 s THR 152 N -0.40 -0.33 0.23 3.92 2.01 -1.25 -2.35 115.64 117.46 3ko4 s THR 152 Ca 0.06 -0.40 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 3ko4 s THR 152 Cb -0.12 -0.88 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 3ko4 s THR 152 CO 0.02 -0.42 0.51 -0.63 -0.69 0.00 0.00 174.62 173.42 3ko4 s ILE 153 N 2.31 5.02 -0.05 1.82 -1.09 0.32 -4.92 121.20 124.62 3ko4 s ILE 153 Ca 0.09 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 3ko4 s ILE 153 Cb -0.15 -3.67 0.01 0.00 -1.58 0.00 0.00 42.46 37.08 3ko4 s ILE 153 CO -0.27 -0.15 -0.09 -0.47 -1.23 0.00 0.00 174.94 172.73 3ko4 s TYR 154 N -1.89 1.12 -0.05 3.97 6.14 -1.26 -1.41 117.35 123.97 3ko4 s TYR 154 Ca 0.45 -0.36 -0.00 0.00 0.64 0.00 0.00 57.07 57.79 3ko4 s TYR 154 Cb -0.11 -0.85 0.03 0.00 0.42 0.00 0.00 41.96 41.45 3ko4 s TYR 154 CO 0.25 -0.20 0.00 0.42 0.64 0.00 0.00 175.55 176.66 3ko4 s ILE 155 N 0.61 0.26 -0.27 3.14 1.01 -0.75 -5.03 121.20 120.16 3ko4 s ILE 155 Ca -0.11 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.68 3ko4 s ILE 155 Cb -0.14 -0.39 0.07 0.00 0.01 0.00 0.00 42.46 42.02 3ko4 s ILE 155 CO 0.02 0.20 -0.07 -0.62 0.00 0.00 0.00 174.94 174.47 3ko4 s ASP 156 N 1.48 4.39 0.42 3.58 -1.08 -1.26 -1.74 116.67 122.46 3ko4 s ASP 156 Ca -0.03 -1.49 0.19 0.00 -0.52 0.00 0.00 52.55 50.69 3ko4 s ASP 156 Cb -0.13 -1.48 1.11 0.00 -1.46 0.00 0.00 42.92 40.96 3ko4 s ASP 156 CO -0.03 -0.24 1.83 0.71 0.52 0.00 0.00 175.17 177.97 3ko4 h THR 157 N 6.72 0.63 0.00 1.71 1.35 -1.91 -1.27 112.91 120.14 3ko4 h THR 157 Ca -0.16 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 3ko4 h THR 157 Cb 1.04 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 3ko4 h THR 157 CO 0.46 0.07 0.16 1.41 -0.25 0.00 0.00 175.52 177.37 3ko4 n HIS 158 N -4.52 0.00 -2.32 4.73 8.25 -1.26 -2.48 115.22 117.62 3ko4 n HIS 158 Ca 0.21 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.27 3ko4 n HIS 158 Cb 0.77 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.61 3ko4 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko4 n ASP 159 N -1.26 7.62 0.00 0.41 8.00 -0.48 -5.17 116.55 125.67 3ko4 n ASP 159 Ca 0.00 -3.46 0.00 0.00 0.71 0.00 0.00 54.79 52.04 3ko4 n ASP 159 Cb 0.16 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 3ko4 n ASP 159 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11