#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4v h GLY 2 N 0.00 1.45 -6.99 1.08 0.00 -1.74 -3.35 103.07 93.51 2k4v h GLY 2 Ca 0.00 -0.51 -0.51 0.00 0.00 0.00 0.00 47.33 46.31 2k4v h GLY 2 CO 0.00 0.47 -0.76 -1.58 0.00 0.00 0.00 176.54 174.66 2k4v s HIS 3 N -6.10 0.53 -0.14 5.60 5.65 -1.26 -1.97 115.29 117.61 2k4v s HIS 3 Ca -0.13 -0.77 -0.00 0.00 0.25 0.00 0.00 55.06 54.41 2k4v s HIS 3 Cb 0.19 -0.93 -0.01 0.00 -1.18 0.00 0.00 32.58 30.64 2k4v s HIS 3 CO 0.82 -0.69 -0.13 1.41 -0.65 0.00 0.00 174.74 175.50 2k4v s MET 4 N 2.02 3.34 -0.02 2.88 0.00 -0.93 -5.05 119.30 121.54 2k4v s MET 4 Ca 0.05 -0.70 0.02 0.00 0.00 0.00 0.00 55.69 55.06 2k4v s MET 4 Cb -0.16 -2.65 -0.00 0.00 0.00 0.00 0.00 34.83 32.02 2k4v s MET 4 CO -0.22 0.14 -0.08 0.12 0.00 0.00 0.00 175.02 174.99 2k4v s PHE 5 N 0.53 0.76 0.04 4.11 5.36 -1.26 -0.76 117.98 126.75 2k4v s PHE 5 Ca -0.09 -0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 55.67 2k4v s PHE 5 Cb -0.16 -0.53 -0.01 0.00 -0.34 0.00 0.00 43.02 41.98 2k4v s PHE 5 CO 0.04 -0.05 0.09 -1.83 -1.46 0.00 0.00 175.22 172.00 2k4v s GLU 6 N 0.04 0.57 -0.51 10.12 -1.05 -0.56 -5.03 118.70 122.28 2k4v s GLU 6 Ca -0.00 -0.75 -0.27 0.00 -0.15 0.00 0.00 54.97 53.80 2k4v s GLU 6 Cb -0.06 0.22 -0.08 0.00 -0.44 0.00 0.00 34.13 33.77 2k4v s GLU 6 CO -0.00 -0.14 2.42 -2.30 0.95 0.00 0.00 175.26 176.19 2k4v n PRO 7 N 0.81 1.04 0.00 -4.83 -0.02 -1.26 -1.83 135.00 128.91 2k4v n PRO 7 Ca -0.19 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2k4v n PRO 7 Cb 0.58 -3.21 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 2k4v n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4v n GLY 8 N 6.05 1.78 3.55 -1.23 0.00 -1.26 -5.08 105.19 109.00 2k4v n GLY 8 Ca 0.39 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.37 2k4v n GLY 8 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4v s HIS 9 N -2.03 -1.15 -0.26 1.61 5.65 -0.76 -1.49 115.29 116.86 2k4v s HIS 9 Ca 0.00 2.09 -0.09 0.00 0.25 0.00 0.00 55.06 57.30 2k4v s HIS 9 Cb 0.00 0.65 -0.04 0.00 -1.18 0.00 0.00 32.58 32.01 2k4v s HIS 9 CO 0.00 -0.59 0.13 -1.17 -0.65 0.00 0.00 174.74 172.46 2k4v s LEU 10 N 2.52 3.75 -0.26 8.88 2.96 0.54 -1.50 118.68 135.58 2k4v s LEU 10 Ca -0.06 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 53.65 2k4v s LEU 10 Cb -0.10 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2k4v s LEU 10 CO -0.18 -0.02 0.20 -2.28 -1.32 0.00 0.00 176.35 172.75 2k4v s HIS 11 N 1.56 3.26 -0.12 5.38 5.65 0.06 -1.08 115.29 129.99 2k4v s HIS 11 Ca 0.06 0.20 -0.09 0.00 0.25 0.00 0.00 55.06 55.48 2k4v s HIS 11 Cb -0.15 -2.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.84 2k4v s HIS 11 CO 0.07 -0.08 0.18 -0.51 -0.65 0.00 0.00 174.74 173.75 2k4v s LEU 12 N 1.52 4.35 0.20 8.88 1.43 -0.41 -2.19 118.68 132.47 2k4v s LEU 12 Ca 0.08 0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2k4v s LEU 12 Cb -0.15 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 2k4v s LEU 12 CO 0.08 0.33 0.15 -0.69 0.23 0.00 0.00 176.35 176.46 2k4v s VAL 13 N -0.65 0.00 0.37 -1.59 1.01 -0.83 -0.82 120.40 117.90 2k4v s VAL 13 Ca 0.15 -1.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.16 2k4v s VAL 13 Cb -0.12 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2k4v s VAL 13 CO 0.04 0.00 0.60 -0.44 0.00 0.00 0.00 175.10 175.30 2k4v s SER 14 N -3.15 6.28 -0.37 3.32 0.01 -0.27 -4.24 113.70 115.27 2k4v s SER 14 Ca 0.38 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 58.17 2k4v s SER 14 Cb 0.06 -2.06 0.10 0.00 0.21 0.00 0.00 66.02 64.33 2k4v s SER 14 CO 0.12 -0.36 0.13 -1.48 0.41 0.00 0.00 173.24 172.06 2k4v s LEU 15 N -4.40 4.91 -0.11 2.44 0.05 -1.26 -4.03 118.68 116.27 2k4v s LEU 15 Ca 0.41 -1.94 -0.34 0.00 0.05 0.00 0.00 54.13 52.32 2k4v s LEU 15 Cb -0.10 -1.76 -0.11 0.00 -2.05 0.00 0.00 46.19 42.17 2k4v s LEU 15 CO 0.38 -0.46 1.91 -0.81 -0.55 0.00 0.00 176.35 176.82 2k4v n PRO 16 N 4.52 2.09 0.00 1.48 -0.04 -1.25 -2.59 135.00 139.21 2k4v n PRO 16 Ca -0.03 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2k4v n PRO 16 Cb 0.42 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 2k4v n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4v n GLY 17 N 4.59 2.96 1.49 0.55 0.00 -1.26 -4.80 105.19 108.72 2k4v n GLY 17 Ca 0.24 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.85 2k4v n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 18 N 0.00 4.51 -3.65 0.99 7.99 -1.16 -4.91 117.00 120.78 2k4v n LEU 18 Ca 0.00 -2.34 -0.11 0.00 -0.01 0.00 0.00 56.01 53.56 2k4v n LEU 18 Cb 0.00 -0.55 -0.08 0.00 -0.11 0.00 0.00 43.42 42.69 2k4v n LEU 18 CO 0.00 0.85 0.33 -0.62 -1.51 0.00 0.00 177.39 176.44 2k4v s ASP 19 N -0.96 -0.79 -0.31 -1.43 -1.08 -1.07 -4.88 116.67 106.16 2k4v s ASP 19 Ca 0.50 1.38 0.12 0.00 -0.52 0.00 0.00 52.55 54.03 2k4v s ASP 19 Cb 0.31 1.32 0.47 0.00 -1.46 0.00 0.00 42.92 43.55 2k4v s ASP 19 CO 0.26 -0.23 1.12 0.00 0.52 0.00 0.00 175.17 176.85 2k4v n GLN 20 N 3.55 2.78 -3.71 4.34 3.00 -1.26 -3.96 117.38 122.11 2k4v n GLN 20 Ca -0.17 -3.95 -0.12 0.00 -0.01 0.00 0.00 57.00 52.75 2k4v n GLN 20 Cb 0.57 -1.97 -0.07 0.00 0.00 0.00 0.00 30.24 28.77 2k4v n GLN 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2k4v s GLN 21 N -3.59 0.88 -1.00 -1.09 0.74 -1.26 -5.11 119.66 109.24 2k4v s GLN 21 Ca 0.41 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 55.31 2k4v s GLN 21 Cb 0.39 0.38 0.30 0.00 1.10 0.00 0.00 33.01 35.19 2k4v s GLN 21 CO -0.03 -0.30 1.38 -3.47 -0.55 0.00 0.00 175.29 172.32 2k4v n ASP 22 N 0.44 6.02 -4.76 6.67 2.03 -1.26 -4.67 116.55 121.02 2k4v n ASP 22 Ca -0.18 -3.44 -0.39 0.00 0.52 0.00 0.00 54.79 51.30 2k4v n ASP 22 Cb 0.60 -1.15 -0.06 0.00 -0.72 0.00 0.00 41.12 39.79 2k4v n ASP 22 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2k4v s ILE 23 N -2.87 4.93 -0.27 5.18 -5.25 -1.26 -0.66 121.20 121.00 2k4v s ILE 23 Ca 0.33 1.23 -0.02 0.00 -0.99 0.00 0.00 60.65 61.20 2k4v s ILE 23 Cb 0.08 -3.92 0.16 0.00 2.95 0.00 0.00 42.46 41.72 2k4v s ILE 23 CO 0.07 0.41 0.50 0.54 -1.79 0.00 0.00 174.94 174.68 2k4v s ASN 24 N -0.13 -0.67 0.03 4.36 2.20 -0.88 -1.12 114.94 118.74 2k4v s ASN 24 Ca 0.31 0.67 0.07 0.00 -0.94 0.00 0.00 52.86 52.96 2k4v s ASN 24 Cb -0.18 1.72 -0.02 0.00 -2.00 0.00 0.00 41.25 40.76 2k4v s ASN 24 CO 0.17 -0.27 -0.21 -0.63 -2.94 0.00 0.00 177.10 173.22 2k4v s ILE 25 N 2.72 1.66 -0.36 0.54 1.01 -0.00 -2.53 121.20 124.25 2k4v s ILE 25 Ca 0.15 -1.14 -0.10 0.00 0.00 0.00 0.00 60.65 59.56 2k4v s ILE 25 Cb -0.15 -1.43 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2k4v s ILE 25 CO -0.18 0.26 0.19 -1.00 0.00 0.00 0.00 174.94 174.20 2k4v s HIS 26 N -0.74 3.23 -0.34 3.97 3.76 -0.00 -1.28 115.29 123.88 2k4v s HIS 26 Ca 0.08 -0.89 -0.06 0.00 -0.15 0.00 0.00 55.06 54.03 2k4v s HIS 26 Cb -0.09 -2.41 0.05 0.00 1.11 0.00 0.00 32.58 31.24 2k4v s HIS 26 CO 0.01 -0.61 0.11 0.42 -0.85 0.00 0.00 174.74 173.83 2k4v s ILE 27 N 1.56 3.72 -0.21 0.60 1.01 -0.24 -2.44 121.20 125.20 2k4v s ILE 27 Ca 0.02 -1.21 -0.02 0.00 0.00 0.00 0.00 60.65 59.44 2k4v s ILE 27 Cb -0.19 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.15 2k4v s ILE 27 CO 0.06 -0.22 -0.10 -0.60 0.00 0.00 0.00 174.94 174.08 2k4v s ARG 28 N 1.38 3.19 -0.08 2.79 3.00 -0.80 -0.34 118.95 128.10 2k4v s ARG 28 Ca -0.01 -0.73 0.04 0.00 -1.00 0.00 0.00 55.73 54.04 2k4v s ARG 28 Cb -0.20 -2.84 -0.00 0.00 0.00 0.00 0.00 34.95 31.91 2k4v s ARG 28 CO 0.02 -0.22 -0.23 1.52 0.00 0.00 0.00 175.30 176.40 2k4v s TYR 29 N 1.40 2.38 -0.10 5.12 1.13 -0.56 -1.17 117.35 125.56 2k4v s TYR 29 Ca 0.05 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 2k4v s TYR 29 Cb -0.14 -1.59 0.02 0.00 -1.10 0.00 0.00 41.96 39.15 2k4v s TYR 29 CO -0.07 -0.34 -0.08 -1.21 -2.51 0.00 0.00 175.55 171.34 2k4v s GLU 30 N 0.22 1.50 -0.01 -3.49 2.02 -0.49 -4.41 118.70 114.03 2k4v s GLU 30 Ca -0.14 -0.27 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 2k4v s GLU 30 Cb -0.16 -1.50 -0.05 0.00 0.10 0.00 0.00 34.13 32.52 2k4v s GLU 30 CO 0.07 -0.20 1.40 0.08 0.02 0.00 0.00 175.26 176.63 2k4v s VAL 31 N 1.47 3.74 0.16 2.63 1.01 -1.26 -1.10 120.40 127.05 2k4v s VAL 31 Ca 0.00 1.11 -0.07 0.00 0.00 0.00 0.00 61.98 63.02 2k4v s VAL 31 Cb -0.13 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 2k4v s VAL 31 CO -0.05 -0.01 0.24 -0.60 0.00 0.00 0.00 175.10 174.67 2k4v s ARG 32 N 2.51 1.10 -0.25 2.72 3.52 -0.62 -4.98 118.95 122.95 2k4v s ARG 32 Ca 0.64 -1.22 -0.02 0.00 -0.13 0.00 0.00 55.73 55.00 2k4v s ARG 32 Cb -0.31 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 2k4v s ARG 32 CO 0.26 -0.39 -0.06 -0.65 -0.81 0.00 0.00 175.30 173.66 2k4v s GLN 33 N -3.98 2.88 0.03 5.12 -1.52 -1.26 -1.45 119.66 119.48 2k4v s GLN 33 Ca 0.18 -0.95 -0.00 0.00 -1.95 0.00 0.00 55.36 52.64 2k4v s GLN 33 Cb 0.04 -3.00 -0.04 0.00 -0.22 0.00 0.00 33.01 29.79 2k4v s GLN 33 CO -0.00 -0.39 0.15 0.54 -0.25 0.00 0.00 175.29 175.34 2k4v s ASN 34 N 1.34 6.07 0.43 5.90 6.03 -0.10 -4.99 114.94 129.62 2k4v s ASN 34 Ca 0.01 0.22 0.21 0.00 -1.03 0.00 0.00 52.86 52.27 2k4v s ASN 34 Cb -0.16 -1.82 0.98 0.00 -3.03 0.00 0.00 41.25 37.22 2k4v s ASN 34 CO -0.04 0.22 1.88 0.00 -2.03 0.00 0.00 177.10 177.13 2k4v h ALA 35 N 3.58 1.18 0.31 3.54 0.00 -2.01 -0.89 119.26 124.97 2k4v h ALA 35 Ca -0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2k4v h ALA 35 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k4v h ALA 35 CO 0.69 0.33 -0.15 1.49 0.00 0.00 0.00 179.25 181.61 2k4v h GLU 36 N 0.00 -0.40 0.00 0.00 4.81 -2.03 -3.38 114.58 113.58 2k4v h GLU 36 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k4v h GLU 36 Cb 0.64 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.11 2k4v h GLU 36 CO 0.03 -0.08 0.00 0.43 -0.73 0.00 0.00 179.01 178.66 2k4v n SER 37 N -5.13 1.40 0.00 1.04 7.64 -1.24 -5.11 113.62 112.21 2k4v n SER 37 Ca -0.09 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2k4v n SER 37 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k4v n GLY 38 N -0.21 0.52 3.76 0.23 0.00 -0.34 -4.80 105.19 104.36 2k4v n GLY 38 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2k4v n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v s ALA 39 N -2.00 3.32 0.35 4.61 0.00 -1.26 -0.92 121.76 125.86 2k4v s ALA 39 Ca 0.00 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.68 2k4v s ALA 39 Cb 0.00 -3.33 0.06 0.00 0.00 0.00 0.00 23.12 19.85 2k4v s ALA 39 CO 0.00 -0.24 0.83 1.52 0.00 0.00 0.00 175.76 177.87 2k4v s TYR 40 N -1.28 0.11 -0.06 0.00 1.13 -0.53 -1.30 117.35 115.42 2k4v s TYR 40 Ca 0.49 -0.74 0.04 0.00 -1.41 0.00 0.00 57.07 55.45 2k4v s TYR 40 Cb -0.30 0.82 0.00 0.00 -1.10 0.00 0.00 41.96 41.37 2k4v s TYR 40 CO 0.39 -1.46 -0.17 0.08 -2.51 0.00 0.00 175.55 171.88 2k4v s VAL 41 N -2.31 1.43 -0.13 -3.49 1.01 -0.84 -1.59 120.40 114.48 2k4v s VAL 41 Ca 0.16 -0.69 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 2k4v s VAL 41 Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 2k4v s VAL 41 CO 0.10 0.42 0.44 -2.28 0.00 0.00 0.00 175.10 173.77 2k4v s HIS 42 N 0.28 3.49 0.03 5.22 2.46 -0.25 -2.63 115.29 123.88 2k4v s HIS 42 Ca -0.10 0.81 0.08 0.00 0.47 0.00 0.00 55.06 56.33 2k4v s HIS 42 Cb -0.14 -2.51 -0.03 0.00 -0.13 0.00 0.00 32.58 29.77 2k4v s HIS 42 CO 0.04 0.16 -0.25 -0.06 -2.47 0.00 0.00 174.74 172.16 2k4v s PHE 43 N 0.66 2.37 0.00 3.88 0.08 -0.31 -1.40 117.98 123.28 2k4v s PHE 43 Ca 0.24 -0.39 0.04 0.00 0.12 0.00 0.00 56.93 56.94 2k4v s PHE 43 Cb -0.15 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 2k4v s PHE 43 CO 0.09 0.11 -0.13 -0.51 -0.10 0.00 0.00 175.22 174.68 2k4v s ASP 44 N -1.10 1.53 -0.05 1.36 1.01 -0.31 -2.05 116.67 117.05 2k4v s ASP 44 Ca 0.12 -0.29 0.01 0.00 0.71 0.00 0.00 52.55 53.10 2k4v s ASP 44 Cb -0.10 -0.15 0.02 0.00 1.01 0.00 0.00 42.92 43.70 2k4v s ASP 44 CO 0.02 0.12 -0.06 -0.04 0.21 0.00 0.00 175.17 175.42 2k4v s MET 45 N -0.52 1.04 0.15 8.23 -1.94 -0.27 -1.90 119.30 124.09 2k4v s MET 45 Ca 0.04 -0.16 -0.23 0.00 -1.71 0.00 0.00 55.69 53.62 2k4v s MET 45 Cb -0.06 -1.01 0.07 0.00 2.01 0.00 0.00 34.83 35.84 2k4v s MET 45 CO -0.00 -0.08 0.65 0.16 -0.01 0.00 0.00 175.02 175.73 2k4v s ASP 46 N 0.97 -0.51 0.00 3.03 -4.77 -1.02 -1.03 116.67 113.34 2k4v s ASP 46 Ca -0.10 -0.07 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 2k4v s ASP 46 Cb -0.14 0.59 0.00 0.00 -1.09 0.00 0.00 42.92 42.28 2k4v s ASP 46 CO 0.00 -0.97 0.00 0.61 0.70 0.00 0.00 175.17 175.51 2k4v n GLY 47 N -0.38 0.64 3.51 2.12 0.00 -1.04 -0.82 105.19 109.22 2k4v n GLY 47 Ca -0.15 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 2k4v n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 48 N 0.00 1.36 -0.26 1.61 -1.05 -1.05 -1.94 118.70 117.37 2k4v s GLU 48 Ca 0.00 -0.83 -0.04 0.00 -0.15 0.00 0.00 54.97 53.95 2k4v s GLU 48 Cb 0.00 0.52 0.14 0.00 -0.44 0.00 0.00 34.13 34.36 2k4v s GLU 48 CO 0.00 -0.58 0.50 0.42 0.95 0.00 0.00 175.26 176.55 2k4v s ILE 49 N -3.86 -0.80 -1.45 1.83 1.01 0.54 -2.07 121.20 116.40 2k4v s ILE 49 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2k4v s ILE 49 Cb -0.01 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.63 2k4v s ILE 49 CO -0.04 -0.03 1.08 -0.67 0.00 0.00 0.00 174.94 175.28 2k4v n ASP 50 N 5.40 -5.55 0.00 3.58 2.03 0.16 -2.01 116.55 120.17 2k4v n ASP 50 Ca -0.05 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.60 2k4v n ASP 50 Cb 0.50 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4v n GLY 51 N -1.84 2.42 3.71 0.27 0.00 -1.26 -4.96 105.19 103.53 2k4v n GLY 51 Ca 0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 2k4v n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4v s LYS 52 N 0.00 4.54 0.71 1.61 1.02 -0.85 -4.94 119.74 121.82 2k4v s LYS 52 Ca 0.00 1.44 -0.11 0.00 0.02 0.00 0.00 55.97 57.31 2k4v s LYS 52 Cb 0.00 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 2k4v s LYS 52 CO 0.00 -0.10 1.09 -1.25 -0.92 0.00 0.00 175.35 174.18 2k4v s PRO 53 N 1.15 2.86 0.15 -1.68 0.04 -1.26 -0.34 135.00 135.91 2k4v s PRO 53 Ca 0.52 0.49 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2k4v s PRO 53 Cb -0.21 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.37 2k4v s PRO 53 CO 0.27 -1.04 0.54 -0.59 0.04 0.00 0.00 177.00 176.21 2k4v s PHE 54 N -3.33 -0.43 -0.17 0.56 -0.71 -0.82 -4.91 117.98 108.17 2k4v s PHE 54 Ca 0.58 0.19 -0.04 0.00 -1.04 0.00 0.00 56.93 56.62 2k4v s PHE 54 Cb -0.11 0.46 0.08 0.00 -1.21 0.00 0.00 43.02 42.24 2k4v s PHE 54 CO 0.52 -0.80 0.19 -1.54 -1.34 0.00 0.00 175.22 172.25 2k4v s SER 55 N -2.75 1.29 0.08 1.98 1.04 -1.26 -2.48 113.70 111.59 2k4v s SER 55 Ca 0.02 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 56.38 2k4v s SER 55 Cb -0.00 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.39 2k4v s SER 55 CO -0.13 -0.31 -0.09 -1.81 0.98 0.00 0.00 173.24 171.89 2k4v s ASP 56 N 2.30 1.27 -0.18 7.02 1.11 -0.20 -5.03 116.67 122.96 2k4v s ASP 56 Ca 0.05 -0.76 -0.16 0.00 0.18 0.00 0.00 52.55 51.85 2k4v s ASP 56 Cb -0.15 0.02 0.05 0.00 1.07 0.00 0.00 42.92 43.91 2k4v s ASP 56 CO -0.10 -0.27 0.47 -0.94 1.18 0.00 0.00 175.17 175.51 2k4v s SER 57 N -2.28 -0.49 0.02 0.27 1.04 -1.26 -1.11 113.70 109.89 2k4v s SER 57 Ca 0.02 0.94 -0.00 0.00 0.48 0.00 0.00 55.95 57.39 2k4v s SER 57 Cb -0.04 0.95 -0.02 0.00 0.10 0.00 0.00 66.02 67.01 2k4v s SER 57 CO -0.00 -0.16 -0.03 0.72 0.98 0.00 0.00 173.24 174.75 2k4v s PHE 58 N 0.28 0.26 -0.09 5.02 -0.71 -0.87 -5.01 117.98 116.86 2k4v s PHE 58 Ca -0.00 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.36 2k4v s PHE 58 Cb -0.03 -0.19 0.02 0.00 -1.21 0.00 0.00 43.02 41.60 2k4v s PHE 58 CO 0.00 -0.20 -0.11 -1.21 -1.34 0.00 0.00 175.22 172.37 2k4v s GLU 59 N -1.52 1.72 -0.07 1.99 2.02 -1.26 -1.16 118.70 120.42 2k4v s GLU 59 Ca -0.15 -0.38 0.05 0.00 0.02 0.00 0.00 54.97 54.51 2k4v s GLU 59 Cb -0.10 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 2k4v s GLU 59 CO -0.01 -0.09 -0.24 -0.51 0.02 0.00 0.00 175.26 174.43 2k4v s LEU 60 N 1.09 2.14 0.82 1.80 1.43 -1.08 -5.03 118.68 119.85 2k4v s LEU 60 Ca -0.06 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.43 2k4v s LEU 60 Cb -0.14 -1.40 0.09 0.00 0.03 0.00 0.00 46.19 44.76 2k4v s LEU 60 CO -0.02 0.23 1.13 -2.16 0.23 0.00 0.00 176.35 175.77 2k4v s PRO 61 N -0.09 1.74 0.39 1.29 0.04 -1.26 -1.99 135.00 135.12 2k4v s PRO 61 Ca -0.06 1.44 0.24 0.00 0.04 0.00 0.00 61.00 62.66 2k4v s PRO 61 Cb -0.14 -1.82 1.34 0.00 0.04 0.00 0.00 34.50 33.92 2k4v s PRO 61 CO 0.04 -2.08 1.61 0.07 0.04 0.00 0.00 177.00 176.69 2k4v h ARG 62 N -1.25 0.09 0.00 4.56 0.11 -1.51 0.21 114.38 116.59 2k4v h ARG 62 Ca -0.44 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.57 2k4v h ARG 62 Cb 1.26 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 2k4v h ARG 62 CO 0.47 0.06 -0.30 0.22 0.10 0.00 0.00 179.97 180.52 2k4v h ASP 63 N 0.09 0.00 0.00 0.08 3.58 -1.91 -3.31 116.42 114.95 2k4v h ASP 63 Ca 0.82 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.27 2k4v h ASP 63 Cb 2.31 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.36 2k4v h ASP 63 CO -0.59 0.30 0.00 0.35 -2.88 0.00 0.00 179.24 176.42 2k4v n THR 64 N -3.54 0.34 -0.22 2.25 -2.24 -0.29 -4.83 114.28 105.76 2k4v n THR 64 Ca -0.00 -0.38 -0.02 0.00 -2.27 0.00 0.00 64.05 61.37 2k4v n THR 64 Cb 0.45 0.92 0.17 0.00 -2.10 0.00 0.00 70.33 69.77 2k4v n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4v h ALA 65 N 0.00 1.25 0.00 6.98 0.00 -0.75 -2.54 119.26 124.19 2k4v h ALA 65 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k4v h ALA 65 Cb 0.72 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k4v h ALA 65 CO 0.00 0.58 0.00 1.19 0.00 0.00 0.00 179.25 181.02 2k4v n PHE 66 N -4.33 0.73 1.96 0.00 3.72 -1.26 -2.17 117.46 116.10 2k4v n PHE 66 Ca 0.07 0.30 0.13 0.00 -0.05 0.00 0.00 57.45 57.90 2k4v n PHE 66 Cb 0.14 -0.99 0.74 0.00 -0.94 0.00 0.00 39.48 38.43 2k4v n PHE 66 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2k4v n ASN 67 N -2.18 0.00 0.14 4.37 3.02 -0.96 -4.04 115.26 115.61 2k4v n ASN 67 Ca 0.02 -1.17 0.11 0.00 -0.03 0.00 0.00 54.58 53.50 2k4v n ASN 67 Cb 0.19 0.00 0.51 0.00 -0.61 0.00 0.00 39.78 39.87 2k4v n ASN 67 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2k4v n PHE 68 N -0.90 0.72 0.02 3.10 -1.74 -0.92 -2.07 117.46 115.67 2k4v n PHE 68 Ca 0.19 0.33 -0.12 0.00 -0.56 0.00 0.00 57.45 57.28 2k4v n PHE 68 Cb 0.09 -1.03 -0.00 0.00 1.52 0.00 0.00 39.48 40.06 2k4v n PHE 68 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k4v h ALA 69 N 2.14 0.51 -0.16 1.98 0.00 -1.86 0.71 119.26 122.59 2k4v h ALA 69 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 2k4v h ALA 69 Cb 0.18 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k4v h ALA 69 CO 0.00 0.73 -0.68 0.77 0.00 0.00 0.00 179.25 180.07 2k4v h SER 70 N 0.38 0.87 0.18 0.00 0.02 -1.74 -2.55 113.55 110.71 2k4v h SER 70 Ca -0.03 -0.62 -0.01 0.00 -0.84 0.00 0.00 61.79 60.29 2k4v h SER 70 Cb 1.31 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2k4v h SER 70 CO 0.13 1.35 -0.09 0.44 -1.14 0.00 0.00 176.83 177.52 2k4v h ASP 71 N 0.44 -0.21 -0.30 3.07 3.32 -1.42 0.19 116.42 121.52 2k4v h ASP 71 Ca -0.04 -0.15 0.05 0.00 0.02 0.00 0.00 57.03 56.91 2k4v h ASP 71 Cb 1.31 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 2k4v h ASP 71 CO 0.14 0.03 -0.01 0.00 -1.72 0.00 0.00 179.24 177.68 2k4v h ALA 72 N 0.34 0.25 0.00 3.45 0.00 -0.96 0.14 119.26 122.47 2k4v h ALA 72 Ca -0.02 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2k4v h ALA 72 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2k4v h ALA 72 CO 0.04 -0.42 -0.22 1.15 0.00 0.00 0.00 179.25 179.80 2k4v h THR 73 N 0.07 1.07 -0.19 0.00 2.02 -1.42 -1.06 112.91 113.40 2k4v h THR 73 Ca 0.14 -0.78 -0.17 0.00 0.77 0.00 0.00 66.41 66.37 2k4v h THR 73 Cb 0.20 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2k4v h THR 73 CO -0.25 0.22 -0.56 -0.09 0.37 0.00 0.00 175.52 175.21 2k4v h ARG 74 N 0.00 0.72 -0.06 6.66 9.65 -0.16 -1.74 114.38 129.45 2k4v h ARG 74 Ca -0.00 -0.51 -0.13 0.00 -1.10 0.00 0.00 59.98 58.24 2k4v h ARG 74 Cb 0.41 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2k4v h ARG 74 CO 0.03 1.13 -0.53 0.28 2.80 0.00 0.00 179.97 183.68 2k4v h VAL 75 N 0.43 1.37 -0.00 0.20 2.07 -0.76 -0.36 116.25 119.20 2k4v h VAL 75 Ca -0.01 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.68 2k4v h VAL 75 Cb 1.18 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 2k4v h VAL 75 CO 0.12 0.53 -0.01 0.00 0.02 0.00 0.00 177.57 178.24 2k4v h ALA 76 N 1.33 0.00 0.00 1.67 0.00 -1.15 -2.93 119.26 118.18 2k4v h ALA 76 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 2k4v h ALA 76 Cb 0.98 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k4v h ALA 76 CO 0.08 -0.21 -0.45 1.96 0.00 0.00 0.00 179.25 180.64 2k4v h GLN 77 N -0.56 0.00 -0.03 0.00 4.20 -1.32 -2.04 115.11 115.36 2k4v h GLN 77 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k4v h GLN 77 Cb 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2k4v h GLN 77 CO 0.00 0.45 0.02 -0.22 -0.67 0.00 0.00 178.83 178.41 2k4v h LYS 78 N 0.00 0.00 -0.45 1.46 3.11 -1.05 -2.33 116.57 117.31 2k4v h LYS 78 Ca -0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2k4v h LYS 78 Cb 0.85 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.05 2k4v h LYS 78 CO 0.06 0.00 0.04 1.58 -2.81 0.00 0.00 179.45 178.32 2k4v n HIS 79 N -4.52 1.57 -1.10 1.91 -0.00 -0.80 -4.95 115.22 107.33 2k4v n HIS 79 Ca -0.02 -0.94 0.00 0.00 0.46 0.00 0.00 57.72 57.22 2k4v n HIS 79 Cb 0.12 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 29.53 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4v n GLY 80 N -0.14 0.98 0.26 1.57 0.00 -0.88 -4.88 105.19 102.09 2k4v n GLY 80 Ca 0.28 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4v h LEU 81 N 0.00 0.91 -0.07 0.99 7.12 -1.58 -3.45 115.31 119.23 2k4v h LEU 81 Ca 0.00 -0.42 0.05 0.00 0.13 0.00 0.00 57.88 57.64 2k4v h LEU 81 Cb 0.44 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.29 2k4v h LEU 81 CO 0.00 1.19 -0.15 1.41 -0.13 0.00 0.00 178.44 180.77 2k4v n HIS 82 N -4.05 -0.52 -0.70 1.25 8.25 -1.26 -4.27 115.22 113.92 2k4v n HIS 82 Ca -0.02 0.28 -0.14 0.00 -0.26 0.00 0.00 57.72 57.58 2k4v n HIS 82 Cb 0.55 -0.47 -0.08 0.00 1.12 0.00 0.00 29.99 31.11 2k4v n HIS 82 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2k4v n PRO 83 N -2.57 1.64 -0.06 -0.41 -0.02 -1.26 -4.73 135.00 127.60 2k4v n PRO 83 Ca -0.01 -0.96 -0.13 0.00 -2.02 0.00 0.00 63.50 60.39 2k4v n PRO 83 Cb 0.09 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.45 2k4v n PRO 83 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2k4v h LYS 84 N 4.78 0.34 -0.34 -0.52 3.64 -2.01 -3.04 116.57 119.44 2k4v h LYS 84 Ca 0.27 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2k4v h LYS 84 Cb 0.70 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2k4v h LYS 84 CO 0.73 0.68 0.17 0.74 -2.27 0.00 0.00 179.45 179.50 2k4v h PHE 85 N 0.01 0.44 -1.40 1.91 -1.00 -1.90 -3.46 116.94 111.54 2k4v h PHE 85 Ca 0.03 -0.00 -0.41 0.00 2.81 0.00 0.00 57.97 60.41 2k4v h PHE 85 Cb 0.58 -0.15 -0.13 0.00 3.61 0.00 0.00 35.95 39.87 2k4v h PHE 85 CO 0.07 0.32 -0.40 0.41 -1.61 0.00 0.00 178.31 177.10 2k4v n GLY 86 N -1.35 1.35 0.76 -1.45 0.00 -1.15 -4.77 105.19 98.59 2k4v n GLY 86 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 2k4v n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4v n ALA 87 N 0.58 2.72 1.08 4.61 0.00 -1.26 -4.90 120.51 123.33 2k4v n ALA 87 Ca -0.21 -0.38 0.11 0.00 0.00 0.00 0.00 53.44 52.96 2k4v n ALA 87 Cb 0.66 -0.20 0.58 0.00 0.00 0.00 0.00 19.45 20.49 2k4v n ALA 87 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2k4v n ILE 88 N 0.00 0.27 -0.16 0.00 -5.35 -1.26 -3.37 119.36 109.50 2k4v n ILE 88 Ca -0.16 0.07 -0.04 0.00 -0.27 0.00 0.00 62.75 62.35 2k4v n ILE 88 Cb 0.58 -0.68 0.05 0.00 -1.74 0.00 0.00 39.64 37.85 2k4v n ILE 88 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2k4v h THR 89 N 0.00 0.88 -3.30 7.28 1.35 -2.00 -3.39 112.91 113.73 2k4v h THR 89 Ca 0.00 -0.14 -0.66 0.00 -0.55 0.00 0.00 66.41 65.06 2k4v h THR 89 Cb 0.24 0.45 -0.29 0.00 -1.73 0.00 0.00 68.15 66.82 2k4v h THR 89 CO 0.00 0.07 -0.77 -0.13 -0.25 0.00 0.00 175.52 174.45 2k4v s ARG 90 N -6.13 3.28 -0.17 4.72 1.81 -1.22 -5.10 118.95 116.15 2k4v s ARG 90 Ca -0.13 -0.69 -0.28 0.00 -1.72 0.00 0.00 55.73 52.91 2k4v s ARG 90 Cb 0.14 -2.82 0.10 0.00 -0.45 0.00 0.00 34.95 31.91 2k4v s ARG 90 CO 0.73 -0.12 0.84 0.54 -0.68 0.00 0.00 175.30 176.62 2k4v s VAL 91 N 1.21 0.00 0.10 3.52 0.11 -1.26 -4.99 120.40 119.09 2k4v s VAL 91 Ca 0.02 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.77 2k4v s VAL 91 Cb -0.14 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.64 2k4v s VAL 91 CO -0.04 0.00 1.21 -1.38 -3.33 0.00 0.00 175.10 171.56 2k4v s HIS 92 N -0.60 3.43 -0.32 1.54 -3.43 -1.26 -5.03 115.29 109.62 2k4v s HIS 92 Ca -0.04 1.32 -0.10 0.00 -0.80 0.00 0.00 55.06 55.45 2k4v s HIS 92 Cb -0.02 -3.44 -0.01 0.00 -1.43 0.00 0.00 32.58 27.69 2k4v s HIS 92 CO 0.03 -1.31 0.16 0.15 -2.00 0.00 0.00 174.74 171.77 2k4v s LYS 93 N 0.65 3.32 -0.21 -0.38 1.02 -1.26 -4.95 119.74 117.93 2k4v s LYS 93 Ca 0.57 -0.73 0.15 0.00 0.02 0.00 0.00 55.97 55.98 2k4v s LYS 93 Cb -0.31 -3.59 0.70 0.00 -0.52 0.00 0.00 37.83 34.11 2k4v s LYS 93 CO 0.31 -0.43 1.61 0.39 -0.92 0.00 0.00 175.35 176.31 2k4v n GLU 94 N 4.99 4.04 -0.25 1.68 1.02 -1.26 -4.65 120.64 126.21 2k4v n GLU 94 Ca -0.14 -3.02 -0.07 0.00 -0.02 0.00 0.00 57.16 53.91 2k4v n GLU 94 Cb 0.49 -2.08 0.04 0.00 -0.02 0.00 0.00 31.44 29.87 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 2k4v h TYR 95 N 3.05 1.11 -0.68 -0.32 3.20 -1.99 -2.42 116.97 118.92 2k4v h TYR 95 Ca 0.00 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.67 2k4v h TYR 95 Cb 1.74 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.66 2k4v h TYR 95 CO 0.83 0.90 0.10 -0.44 -1.64 0.00 0.00 178.16 177.91 2k4v h ASP 96 N 1.01 1.08 -0.12 -2.11 3.32 -1.99 -0.05 116.42 117.56 2k4v h ASP 96 Ca 0.22 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 2k4v h ASP 96 Cb 0.31 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k4v h ASP 96 CO -0.01 1.07 -0.01 0.00 -1.72 0.00 0.00 179.24 178.57 2k4v h ALA 97 N 1.05 0.16 -0.51 3.45 0.00 -1.85 -1.78 119.26 119.78 2k4v h ALA 97 Ca 0.20 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2k4v h ALA 97 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k4v h ALA 97 CO 0.01 -0.13 0.14 1.98 0.00 0.00 0.00 179.25 181.25 2k4v h MET 98 N -0.07 0.81 -0.49 0.00 1.85 -1.48 -2.04 114.93 113.51 2k4v h MET 98 Ca 0.03 -0.19 0.10 0.00 -0.61 0.00 0.00 59.70 59.03 2k4v h MET 98 Cb 0.39 -0.11 -0.09 0.00 0.43 0.00 0.00 31.60 32.22 2k4v h MET 98 CO 0.01 0.77 -0.13 0.35 -0.40 0.00 0.00 176.91 177.51 2k4v h PHE 99 N 0.71 -0.27 0.00 1.39 3.57 -0.90 -1.50 116.94 119.93 2k4v h PHE 99 Ca 0.16 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.55 2k4v h PHE 99 Cb 0.31 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2k4v h PHE 99 CO 0.02 -0.22 -0.75 1.05 -2.23 0.00 0.00 178.31 176.19 2k4v h GLU 100 N -0.01 0.00 0.83 1.11 4.11 -1.31 -2.43 114.58 116.88 2k4v h GLU 100 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.63 2k4v h GLU 100 Cb 0.37 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2k4v h GLU 100 CO -0.51 0.75 -0.40 0.22 0.07 0.00 0.00 179.01 179.14 2k4v h ASP 101 N 0.00 -0.94 -0.43 3.06 3.58 -0.98 -1.28 116.42 119.43 2k4v h ASP 101 Ca -0.01 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.42 2k4v h ASP 101 Cb 1.47 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 42.74 2k4v h ASP 101 CO 0.10 -0.58 0.10 0.40 -2.88 0.00 0.00 179.24 176.37 2k4v h ILE 102 N -1.30 1.22 0.00 2.25 2.04 -1.39 -1.53 117.51 118.81 2k4v h ILE 102 Ca -0.11 -0.81 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2k4v h ILE 102 Cb 0.86 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2k4v h ILE 102 CO 0.19 0.30 -0.23 0.08 0.00 0.00 0.00 178.15 178.48 2k4v h ARG 103 N 0.73 0.00 -0.09 2.37 -0.00 -1.46 -0.34 114.38 115.59 2k4v h ARG 103 Ca 0.16 0.00 -0.22 0.00 -0.00 0.00 0.00 59.98 59.92 2k4v h ARG 103 Cb 0.30 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.28 2k4v h ARG 103 CO 0.00 0.23 -0.83 0.00 -0.00 0.00 0.00 179.97 179.38 2k4v h ALA 104 N 1.77 0.36 -0.38 0.08 0.00 -0.55 -1.69 119.26 118.84 2k4v h ALA 104 Ca -0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2k4v h ALA 104 Cb 0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k4v h ALA 104 CO 0.03 0.72 -0.08 -0.22 0.00 0.00 0.00 179.25 179.70 2k4v h LYS 105 N 0.41 0.65 -0.18 0.00 1.63 -0.76 0.68 116.57 118.99 2k4v h LYS 105 Ca -0.06 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.49 2k4v h LYS 105 Cb 1.45 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.00 2k4v h LYS 105 CO 0.16 0.72 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.65 2k4v h LEU 106 N 0.60 0.29 -0.32 5.20 4.07 -1.05 -2.09 115.31 122.01 2k4v h LEU 106 Ca 0.11 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2k4v h LEU 106 Cb 0.50 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2k4v h LEU 106 CO 0.03 0.48 0.00 -0.74 -1.08 0.00 0.00 178.44 177.13 2k4v h HIS 107 N 0.28 0.00 0.00 1.13 2.76 -0.71 -3.48 115.15 115.14 2k4v h HIS 107 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2k4v h HIS 107 Cb 0.47 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 2k4v h HIS 107 CO 0.01 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.64 2k4v n ALA 108 N -1.88 0.00 -2.93 5.26 0.00 0.17 -5.01 120.51 116.11 2k4v n ALA 108 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2k4v n ALA 108 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.73 2k4v n ALA 108 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2k4v s HIS 109 N -2.73 0.36 -0.74 0.00 3.76 -0.81 -4.82 115.29 110.32 2k4v s HIS 109 Ca 0.00 -0.46 -0.26 0.00 -0.15 0.00 0.00 55.06 54.19 2k4v s HIS 109 Cb 0.00 -0.24 -0.05 0.00 1.11 0.00 0.00 32.58 33.40 2k4v s HIS 109 CO 0.00 -0.14 2.00 -1.25 -0.85 0.00 0.00 174.74 174.50 2k4v s PRO 110 N -1.33 2.45 -0.47 8.40 0.04 -1.26 -4.53 135.00 138.30 2k4v s PRO 110 Ca -0.12 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.20 2k4v s PRO 110 Cb -0.09 -4.72 0.12 0.00 0.04 0.00 0.00 34.50 29.85 2k4v s PRO 110 CO -0.00 -3.21 0.26 0.20 0.04 0.00 0.00 177.00 174.28 2k4v s GLY 111 N 8.71 2.16 0.45 0.56 0.00 -1.26 -5.11 107.32 112.83 2k4v s GLY 111 Ca 0.73 -2.79 -0.25 0.00 0.00 0.00 0.00 44.72 42.41 2k4v s GLY 111 CO 0.11 1.04 1.39 -1.83 0.00 0.00 0.00 173.10 173.81 2k4v s GLU 112 N 0.68 3.68 -0.50 2.90 4.04 -1.26 -4.96 118.70 123.27 2k4v s GLU 112 Ca 0.12 2.33 -0.20 0.00 0.04 0.00 0.00 54.97 57.26 2k4v s GLU 112 Cb -0.22 -2.62 0.05 0.00 0.02 0.00 0.00 34.13 31.36 2k4v s GLU 112 CO -0.04 -0.79 0.65 -1.25 -1.84 0.00 0.00 175.26 171.99 2k4v s PRO 113 N -2.47 3.15 -0.43 -4.83 0.04 -1.26 -5.03 135.00 124.18 2k4v s PRO 113 Ca 0.61 -0.79 -0.28 0.00 0.04 0.00 0.00 61.00 60.59 2k4v s PRO 113 Cb -0.42 -4.08 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 2k4v s PRO 113 CO 0.53 -1.22 1.68 0.54 0.04 0.00 0.00 177.00 178.57 2k4v s VAL 114 N 2.76 3.58 -0.72 -0.36 0.11 -1.26 -4.87 120.40 119.65 2k4v s VAL 114 Ca 0.17 0.55 0.03 0.00 -2.93 0.00 0.00 61.98 59.80 2k4v s VAL 114 Cb -0.18 -3.91 0.20 0.00 -1.53 0.00 0.00 36.38 30.96 2k4v s VAL 114 CO 0.13 -0.66 0.87 -0.67 -3.33 0.00 0.00 175.10 171.43 2k4v n ASP 115 N 10.36 2.31 0.24 3.54 2.03 -1.26 -3.76 116.55 130.01 2k4v n ASP 115 Ca 0.20 -2.25 0.08 0.00 0.52 0.00 0.00 54.79 53.34 2k4v n ASP 115 Cb 0.48 -0.55 0.59 0.00 -0.72 0.00 0.00 41.12 40.92 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -1.92 0.00 0.00 177.20 175.45 2k4v h LEU 116 N 0.99 0.00 -0.28 -2.67 8.10 -2.00 -2.51 115.31 116.94 2k4v h LEU 116 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.01 2k4v h LEU 116 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.17 2k4v h LEU 116 CO 0.14 0.18 0.00 1.21 -4.11 0.00 0.00 178.44 175.86 2k4v n GLU 117 N -3.96 0.06 0.13 0.17 4.07 -1.25 -2.70 120.64 117.16 2k4v n GLU 117 Ca -0.02 0.36 0.12 0.00 -0.06 0.00 0.00 57.16 57.55 2k4v n GLU 117 Cb 0.26 -1.63 0.04 0.00 -0.06 0.00 0.00 31.44 30.05 2k4v n GLU 117 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2k4v h ARG 118 N 0.00 0.00 -4.34 5.31 9.65 -1.73 -1.58 114.38 121.70 2k4v h ARG 118 Ca 0.00 0.00 -0.73 0.00 -1.10 0.00 0.00 59.98 58.15 2k4v h ARG 118 Cb 0.23 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.70 2k4v h ARG 118 CO 0.00 0.00 2.22 -0.89 2.80 0.00 0.00 179.97 184.10 2k4v n ILE 119 N -2.76 4.01 -0.38 1.20 -0.00 -1.10 -4.50 119.36 115.84 2k4v n ILE 119 Ca 0.01 -4.04 0.00 0.00 -0.00 0.00 0.00 62.75 58.72 2k4v n ILE 119 Cb 0.54 -2.45 0.00 0.00 -0.00 0.00 0.00 39.64 37.74 2k4v n ILE 119 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2k4v n ILE 120 N 4.65 0.00 0.10 1.39 5.41 -1.26 -4.83 119.36 124.82 2k4v n ILE 120 Ca 0.44 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.08 2k4v n ILE 120 Cb 0.40 -0.09 -0.08 0.00 -0.71 0.00 0.00 39.64 39.16 2k4v n ILE 120 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 2k4v h ARG 121 N 1.50 -0.30 -6.06 0.38 2.47 -1.79 -3.42 114.38 107.16 2k4v h ARG 121 Ca 0.00 0.02 -0.68 0.00 -1.26 0.00 0.00 59.98 58.06 2k4v h ARG 121 Cb 0.00 0.07 -0.22 0.00 -1.65 0.00 0.00 29.97 28.17 2k4v h ARG 121 CO 0.00 0.07 -0.74 -1.01 0.56 0.00 0.00 179.97 178.85 2k4v s HIS 122 N -3.91 2.81 0.00 3.04 3.76 -0.59 -4.96 115.29 115.44 2k4v s HIS 122 Ca -0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 2k4v s HIS 122 Cb 0.01 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 32.00 2k4v s HIS 122 CO 0.49 0.16 0.00 -0.85 -0.85 0.00 0.00 174.74 173.69 2k4v n GLU 123 N 2.53 0.00 0.00 1.40 -0.00 -1.26 -4.71 120.64 118.60 2k4v n GLU 123 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 2k4v n GLU 123 Cb 0.53 -0.17 0.00 0.00 -0.00 0.00 0.00 31.44 31.79 2k4v n GLU 123 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k4v n GLY 124 N -0.38 3.55 0.00 -1.84 0.00 -1.26 -5.20 105.19 100.06 2k4v n GLY 124 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18