#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4v n GLY 2 N 0.00 0.93 3.63 1.08 0.00 -1.26 -4.70 105.19 104.86 2k4v n GLY 2 Ca 0.00 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4v s HIS 3 N 0.00 3.10 -0.01 1.61 -3.43 -1.26 -4.66 115.29 110.64 2k4v s HIS 3 Ca 0.00 1.05 -0.04 0.00 -0.80 0.00 0.00 55.06 55.27 2k4v s HIS 3 Cb 0.00 -3.75 -0.00 0.00 -1.43 0.00 0.00 32.58 27.40 2k4v s HIS 3 CO 0.00 -0.83 0.08 -1.64 -2.00 0.00 0.00 174.74 170.35 2k4v s MET 4 N 3.69 0.28 0.02 -0.38 1.00 -1.07 -4.98 119.30 117.86 2k4v s MET 4 Ca 0.44 -0.22 0.02 0.00 0.00 0.00 0.00 55.69 55.93 2k4v s MET 4 Cb -0.12 0.11 -0.04 0.00 0.00 0.00 0.00 34.83 34.79 2k4v s MET 4 CO 0.18 -0.05 0.01 0.12 0.00 0.00 0.00 175.02 175.27 2k4v s PHE 5 N -0.78 3.07 0.00 -0.03 5.36 -1.26 -0.96 117.98 123.38 2k4v s PHE 5 Ca -0.09 0.06 -0.23 0.00 -0.96 0.00 0.00 56.93 55.71 2k4v s PHE 5 Cb -0.05 -1.64 0.05 0.00 -0.34 0.00 0.00 43.02 41.04 2k4v s PHE 5 CO 0.00 0.47 0.52 -1.83 -1.46 0.00 0.00 175.22 172.93 2k4v s GLU 6 N -1.77 0.97 -0.65 10.12 -1.05 -0.53 -5.02 118.70 120.77 2k4v s GLU 6 Ca 0.22 -0.08 -0.26 0.00 -0.15 0.00 0.00 54.97 54.70 2k4v s GLU 6 Cb -0.12 0.44 -0.12 0.00 -0.44 0.00 0.00 34.13 33.90 2k4v s GLU 6 CO 0.13 -0.32 2.44 -2.30 0.95 0.00 0.00 175.26 176.15 2k4v n PRO 7 N 0.74 0.76 0.00 -4.83 -0.02 -1.26 -1.70 135.00 128.69 2k4v n PRO 7 Ca -0.19 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.05 2k4v n PRO 7 Cb 0.58 -3.22 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 6.25 1.52 3.38 -1.23 0.00 -1.26 -5.11 105.19 108.75 2k4v n GLY 8 Ca 0.44 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.02 -0.42 -0.03 1.61 5.65 -0.69 -2.54 115.29 117.85 2k4v s HIS 9 Ca 0.00 0.62 0.01 0.00 0.25 0.00 0.00 55.06 55.94 2k4v s HIS 9 Cb 0.00 0.28 0.02 0.00 -1.18 0.00 0.00 32.58 31.70 2k4v s HIS 9 CO 0.00 -0.55 -0.03 -1.17 -0.65 0.00 0.00 174.74 172.34 2k4v s LEU 10 N -1.50 1.39 -0.05 8.88 2.96 0.19 -1.45 118.68 129.10 2k4v s LEU 10 Ca -0.10 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2k4v s LEU 10 Cb -0.02 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.31 2k4v s LEU 10 CO 0.04 -0.05 -0.14 -2.28 -1.32 0.00 0.00 176.35 172.61 2k4v s HIS 11 N 0.77 2.72 -0.06 5.38 5.65 -0.14 -0.66 115.29 128.95 2k4v s HIS 11 Ca -0.09 -0.14 -0.00 0.00 0.25 0.00 0.00 55.06 55.08 2k4v s HIS 11 Cb -0.12 -1.64 0.02 0.00 -1.18 0.00 0.00 32.58 29.66 2k4v s HIS 11 CO -0.00 0.20 -0.03 -0.51 -0.65 0.00 0.00 174.74 173.74 2k4v s LEU 12 N -0.74 1.03 0.06 8.88 1.43 -0.76 -2.60 118.68 125.98 2k4v s LEU 12 Ca 0.11 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.93 2k4v s LEU 12 Cb -0.11 -0.50 0.02 0.00 0.03 0.00 0.00 46.19 45.64 2k4v s LEU 12 CO 0.01 -0.11 0.34 0.54 0.23 0.00 0.00 176.35 177.35 2k4v s VAL 13 N 1.42 0.08 -0.43 -1.59 0.11 -1.26 -0.97 120.40 117.75 2k4v s VAL 13 Ca -0.03 -0.64 -0.27 0.00 -2.93 0.00 0.00 61.98 58.11 2k4v s VAL 13 Cb -0.13 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.67 2k4v s VAL 13 CO -0.03 -0.35 2.27 -0.55 -3.33 0.00 0.00 175.10 173.11 2k4v s SER 14 N -2.19 4.83 0.40 3.54 0.15 -0.31 -4.80 113.70 115.31 2k4v s SER 14 Ca -0.03 1.19 0.08 0.00 0.70 0.00 0.00 55.95 57.89 2k4v s SER 14 Cb -0.00 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.74 2k4v s SER 14 CO -0.05 -2.56 0.10 -1.48 1.20 0.00 0.00 173.24 170.46 2k4v s LEU 15 N 10.71 3.04 -0.76 3.45 0.05 -0.91 -4.97 118.68 129.29 2k4v s LEU 15 Ca 0.94 -1.12 -0.26 0.00 0.05 0.00 0.00 54.13 53.74 2k4v s LEU 15 Cb -0.20 -1.30 -0.13 0.00 -2.05 0.00 0.00 46.19 42.51 2k4v s LEU 15 CO 0.28 -0.45 2.41 -2.16 -0.55 0.00 0.00 176.35 175.88 2k4v s PRO 16 N -3.82 1.65 0.00 1.48 0.04 -1.26 -0.86 135.00 132.23 2k4v s PRO 16 Ca 0.38 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.02 2k4v s PRO 16 Cb 0.04 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2k4v s PRO 16 CO 0.21 -4.33 0.00 0.41 0.04 0.00 0.00 177.00 173.33 2k4v n GLY 17 N 6.72 4.43 3.22 0.56 0.00 -1.26 -5.06 105.19 113.80 2k4v n GLY 17 Ca 0.46 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2k4v n GLY 17 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 18 N 0.00 5.89 0.00 0.99 2.96 -0.04 -4.81 118.68 123.66 2k4v s LEU 18 Ca 0.00 -2.35 0.00 0.00 -0.22 0.00 0.00 54.13 51.56 2k4v s LEU 18 Cb 0.00 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2k4v s LEU 18 CO 0.00 -0.59 0.65 -0.90 -1.32 0.00 0.00 176.35 174.19 2k4v n ASP 19 N 4.32 1.02 -0.15 3.68 5.75 -1.26 -2.15 116.55 127.76 2k4v n ASP 19 Ca 0.01 -1.41 -0.04 0.00 -0.01 0.00 0.00 54.79 53.34 2k4v n ASP 19 Cb 0.42 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.56 2k4v n ASP 19 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2k4v h GLN 20 N 0.00 0.36 -4.66 0.11 -0.00 -1.96 -3.43 115.11 105.53 2k4v h GLN 20 Ca 0.00 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 58.38 2k4v h GLN 20 Cb 0.54 -0.08 -0.18 0.00 0.00 0.00 0.00 27.48 27.76 2k4v h GLN 20 CO 0.00 0.24 -0.71 1.14 0.00 0.00 0.00 178.83 179.49 2k4v s GLN 21 N -6.14 0.72 -0.70 1.69 -2.07 -1.26 -5.11 119.66 106.80 2k4v s GLN 21 Ca -0.13 -1.10 -0.27 0.00 -1.82 0.00 0.00 55.36 52.04 2k4v s GLN 21 Cb 0.14 -0.27 0.02 0.00 -1.09 0.00 0.00 33.01 31.81 2k4v s GLN 21 CO 0.73 0.02 1.35 -0.51 -1.32 0.00 0.00 175.29 175.56 2k4v s ASP 22 N -2.43 6.08 0.05 12.60 1.11 -1.26 -4.81 116.67 128.00 2k4v s ASP 22 Ca 0.03 -0.25 0.08 0.00 0.18 0.00 0.00 52.55 52.59 2k4v s ASP 22 Cb -0.01 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2k4v s ASP 22 CO -0.02 -1.86 -0.20 0.27 1.18 0.00 0.00 175.17 174.54 2k4v s ILE 23 N 6.09 2.66 -0.20 0.77 -4.36 -1.26 -0.24 121.20 124.66 2k4v s ILE 23 Ca 0.41 -1.25 -0.09 0.00 -0.26 0.00 0.00 60.65 59.45 2k4v s ILE 23 Cb -0.09 -2.11 0.08 0.00 1.25 0.00 0.00 42.46 41.59 2k4v s ILE 23 CO 0.17 0.33 0.45 0.54 0.24 0.00 0.00 174.94 176.67 2k4v s ASN 24 N -1.45 -0.49 -0.09 4.36 2.20 -1.23 -1.17 114.94 117.07 2k4v s ASN 24 Ca 0.14 1.02 -0.03 0.00 -0.94 0.00 0.00 52.86 53.05 2k4v s ASN 24 Cb -0.10 1.10 0.04 0.00 -2.00 0.00 0.00 41.25 40.29 2k4v s ASN 24 CO 0.05 -0.21 0.06 -0.63 -2.94 0.00 0.00 177.10 173.43 2k4v s ILE 25 N 1.93 -0.03 -0.24 0.54 1.01 -0.14 -2.92 121.20 121.35 2k4v s ILE 25 Ca -0.07 0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.67 2k4v s ILE 25 Cb -0.10 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2k4v s ILE 25 CO -0.14 0.02 0.09 -1.00 0.00 0.00 0.00 174.94 173.92 2k4v s HIS 26 N 2.13 3.15 -0.34 3.97 3.76 -0.54 -1.82 115.29 125.60 2k4v s HIS 26 Ca 0.04 -0.18 -0.01 0.00 -0.15 0.00 0.00 55.06 54.76 2k4v s HIS 26 Cb -0.14 -2.22 0.08 0.00 1.11 0.00 0.00 32.58 31.41 2k4v s HIS 26 CO -0.05 -0.18 0.07 0.42 -0.85 0.00 0.00 174.74 174.15 2k4v s ILE 27 N 1.31 2.99 -0.07 0.60 1.01 0.16 -2.70 121.20 124.50 2k4v s ILE 27 Ca 0.05 -1.74 -0.09 0.00 0.00 0.00 0.00 60.65 58.88 2k4v s ILE 27 Cb -0.15 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 2k4v s ILE 27 CO 0.04 -0.37 0.23 -0.60 0.00 0.00 0.00 174.94 174.25 2k4v s ARG 28 N 1.17 3.59 -0.01 2.79 3.52 -0.33 -0.64 118.95 129.04 2k4v s ARG 28 Ca 0.01 0.03 0.01 0.00 -0.13 0.00 0.00 55.73 55.65 2k4v s ARG 28 Cb -0.21 -3.19 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2k4v s ARG 28 CO -0.03 0.74 -0.01 1.52 -0.81 0.00 0.00 175.30 176.71 2k4v s TYR 29 N -1.07 0.20 -0.14 5.12 1.13 -1.05 -1.06 117.35 120.48 2k4v s TYR 29 Ca 0.19 -0.01 -0.01 0.00 -1.41 0.00 0.00 57.07 55.83 2k4v s TYR 29 Cb -0.13 -0.20 0.04 0.00 -1.10 0.00 0.00 41.96 40.56 2k4v s TYR 29 CO 0.08 -0.04 -0.03 -1.21 -2.51 0.00 0.00 175.55 171.84 2k4v s GLU 30 N 0.34 1.13 -0.18 -3.49 2.02 -0.00 -4.67 118.70 113.84 2k4v s GLU 30 Ca -0.03 -0.33 -0.23 0.00 0.02 0.00 0.00 54.97 54.41 2k4v s GLU 30 Cb -0.05 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.42 2k4v s GLU 30 CO -0.01 -0.42 0.72 0.08 0.02 0.00 0.00 175.26 175.65 2k4v s VAL 31 N 1.76 4.96 0.24 2.63 1.01 -1.26 -0.97 120.40 128.76 2k4v s VAL 31 Ca 0.02 1.39 -0.14 0.00 0.00 0.00 0.00 61.98 63.25 2k4v s VAL 31 Cb -0.15 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2k4v s VAL 31 CO -0.07 0.08 0.51 -0.60 0.00 0.00 0.00 175.10 175.01 2k4v s ARG 32 N 2.00 1.55 -0.19 2.72 3.52 -0.86 -5.02 118.95 122.66 2k4v s ARG 32 Ca 0.33 -1.17 -0.06 0.00 -0.13 0.00 0.00 55.73 54.70 2k4v s ARG 32 Cb -0.16 0.49 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 2k4v s ARG 32 CO 0.11 -0.65 0.02 -0.65 -0.81 0.00 0.00 175.30 173.32 2k4v s GLN 33 N -3.99 3.76 0.03 5.12 -1.52 -1.26 -1.46 119.66 120.34 2k4v s GLN 33 Ca 0.19 -0.46 0.00 0.00 -1.95 0.00 0.00 55.36 53.15 2k4v s GLN 33 Cb -0.01 -3.12 -0.04 0.00 -0.22 0.00 0.00 33.01 29.62 2k4v s GLN 33 CO 0.07 0.12 0.13 0.54 -0.25 0.00 0.00 175.29 175.90 2k4v s ASN 34 N 0.73 5.91 0.54 5.90 2.20 0.42 -4.98 114.94 125.66 2k4v s ASN 34 Ca 0.01 0.17 0.32 0.00 -0.94 0.00 0.00 52.86 52.42 2k4v s ASN 34 Cb -0.14 -1.73 1.25 0.00 -2.00 0.00 0.00 41.25 38.64 2k4v s ASN 34 CO 0.02 0.22 1.94 0.00 -2.94 0.00 0.00 177.10 176.35 2k4v h ALA 35 N 3.63 1.00 -0.06 3.54 0.00 -2.00 -1.45 119.26 123.92 2k4v h ALA 35 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2k4v h ALA 35 Cb 1.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k4v h ALA 35 CO 0.67 0.02 -0.10 1.49 0.00 0.00 0.00 179.25 181.33 2k4v h GLU 36 N 0.00 0.16 0.00 0.00 4.57 -2.02 -3.40 114.58 113.89 2k4v h GLU 36 Ca -0.00 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2k4v h GLU 36 Cb 0.57 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 2k4v h GLU 36 CO 0.00 0.67 0.00 0.43 -1.18 0.00 0.00 179.01 178.93 2k4v n SER 37 N -4.68 0.13 0.00 1.04 7.64 -1.24 -5.13 113.62 111.38 2k4v n SER 37 Ca -0.08 -0.46 0.00 0.00 1.01 0.00 0.00 58.87 59.35 2k4v n SER 37 Cb 0.34 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.29 1.00 3.75 0.23 0.00 -0.55 -4.96 105.19 104.95 2k4v n GLY 38 Ca 0.00 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 3.52 0.37 4.61 0.00 -1.26 -0.43 121.76 126.56 2k4v s ALA 39 Ca 0.00 1.17 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 2k4v s ALA 39 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.68 2k4v s ALA 39 CO 0.00 -0.56 0.68 1.52 0.00 0.00 0.00 175.76 177.40 2k4v s TYR 40 N -0.50 0.43 -0.05 0.00 1.13 -0.53 -1.64 117.35 116.18 2k4v s TYR 40 Ca 0.53 -0.95 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 2k4v s TYR 40 Cb -0.38 0.52 0.02 0.00 -1.10 0.00 0.00 41.96 41.02 2k4v s TYR 40 CO 0.45 -1.41 -0.05 0.08 -2.51 0.00 0.00 175.55 172.10 2k4v s VAL 41 N -2.62 0.63 -0.23 -3.49 1.01 -0.56 -2.03 120.40 113.11 2k4v s VAL 41 Ca 0.20 -0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.83 2k4v s VAL 41 Cb -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2k4v s VAL 41 CO 0.14 0.26 0.64 -2.28 0.00 0.00 0.00 175.10 173.85 2k4v s HIS 42 N 1.06 3.32 -0.16 5.22 2.46 -0.15 -2.30 115.29 124.74 2k4v s HIS 42 Ca -0.09 0.87 -0.07 0.00 0.47 0.00 0.00 55.06 56.25 2k4v s HIS 42 Cb -0.14 -2.83 -0.04 0.00 -0.13 0.00 0.00 32.58 29.44 2k4v s HIS 42 CO -0.01 -0.27 0.08 -0.06 -2.47 0.00 0.00 174.74 172.02 2k4v s PHE 43 N 2.27 3.33 -0.15 3.88 0.08 -0.26 -0.82 117.98 126.31 2k4v s PHE 43 Ca 0.27 0.22 -0.02 0.00 0.12 0.00 0.00 56.93 57.53 2k4v s PHE 43 Cb -0.16 -2.03 0.05 0.00 -0.57 0.00 0.00 43.02 40.31 2k4v s PHE 43 CO 0.09 0.33 0.00 0.34 -0.10 0.00 0.00 175.22 175.89 2k4v s ASP 44 N -0.07 2.51 0.06 1.36 2.15 -0.22 -1.69 116.67 120.77 2k4v s ASP 44 Ca 0.07 -0.57 0.10 0.00 0.43 0.00 0.00 52.55 52.58 2k4v s ASP 44 Cb -0.12 -0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 41.84 2k4v s ASP 44 CO 0.01 -0.24 -0.26 -0.04 -0.17 0.00 0.00 175.17 174.46 2k4v s MET 45 N 1.83 1.74 0.10 4.34 -1.94 0.03 -1.19 119.30 124.21 2k4v s MET 45 Ca 0.01 -1.15 -0.21 0.00 -1.71 0.00 0.00 55.69 52.63 2k4v s MET 45 Cb -0.15 -1.97 0.05 0.00 2.01 0.00 0.00 34.83 34.77 2k4v s MET 45 CO -0.07 0.50 0.52 0.16 -0.01 0.00 0.00 175.02 176.12 2k4v s ASP 46 N -1.40 -0.43 0.00 3.03 -4.77 -1.10 -1.31 116.67 110.69 2k4v s ASP 46 Ca 0.12 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.36 2k4v s ASP 46 Cb -0.10 0.52 0.00 0.00 -1.09 0.00 0.00 42.92 42.25 2k4v s ASP 46 CO 0.03 -0.84 0.00 0.61 0.70 0.00 0.00 175.17 175.67 2k4v n GLY 47 N -0.03 -0.51 2.96 2.12 0.00 -1.04 -1.47 105.19 107.23 2k4v n GLY 47 Ca -0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.82 0.23 -0.17 1.61 -1.05 -1.15 -1.71 118.70 114.65 2k4v s GLU 48 Ca 0.00 0.61 -0.12 0.00 -0.15 0.00 0.00 54.97 55.31 2k4v s GLU 48 Cb 0.00 -0.37 -0.05 0.00 -0.44 0.00 0.00 34.13 33.27 2k4v s GLU 48 CO 0.00 -0.46 0.23 0.42 0.95 0.00 0.00 175.26 176.40 2k4v s ILE 49 N 2.46 5.35 0.00 1.83 1.01 -0.86 -3.54 121.20 127.45 2k4v s ILE 49 Ca 0.05 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.10 2k4v s ILE 49 Cb -0.14 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2k4v s ILE 49 CO -0.12 0.42 0.00 -0.67 0.00 0.00 0.00 174.94 174.57 2k4v n ASP 50 N 3.45 0.00 -2.40 3.58 2.03 0.67 -1.83 116.55 122.06 2k4v n ASP 50 Ca -0.14 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.14 2k4v n ASP 50 Cb 0.52 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.00 -0.59 2.64 0.27 0.00 -1.26 -4.64 105.19 101.61 2k4v n GLY 51 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 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 0.03 0.38 0.25 1.61 1.02 -0.76 -5.13 119.74 117.14 2k4v s LYS 52 Ca 0.03 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.20 2k4v s LYS 52 Cb 0.08 -1.69 -0.09 0.00 -0.52 0.00 0.00 37.83 35.61 2k4v s LYS 52 CO -0.02 -0.86 1.27 -1.25 -0.92 0.00 0.00 175.35 173.58 2k4v s PRO 53 N 1.95 4.42 -0.01 -1.68 0.04 -1.26 -2.03 135.00 136.43 2k4v s PRO 53 Ca 0.05 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.16 2k4v s PRO 53 Cb -0.17 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2k4v s PRO 53 CO -0.22 -0.16 -0.05 -0.59 0.04 0.00 0.00 177.00 176.01 2k4v s PHE 54 N -0.42 0.56 -0.10 0.56 -0.71 -0.69 -4.99 117.98 112.19 2k4v s PHE 54 Ca 0.53 -0.11 -0.01 0.00 -1.04 0.00 0.00 56.93 56.29 2k4v s PHE 54 Cb -0.36 -0.39 0.03 0.00 -1.21 0.00 0.00 43.02 41.08 2k4v s PHE 54 CO 0.42 -0.04 -0.01 -1.54 -1.34 0.00 0.00 175.22 172.72 2k4v s SER 55 N 0.07 1.94 -0.01 1.98 1.04 -1.26 -2.49 113.70 114.97 2k4v s SER 55 Ca -0.00 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.19 2k4v s SER 55 Cb -0.05 -0.55 -0.01 0.00 0.10 0.00 0.00 66.02 65.52 2k4v s SER 55 CO -0.00 -0.20 -0.09 -0.62 0.98 0.00 0.00 173.24 173.30 2k4v s ASP 56 N 1.90 1.11 -0.04 7.02 2.15 -0.42 -5.03 116.67 123.36 2k4v s ASP 56 Ca 0.04 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 52.83 2k4v s ASP 56 Cb -0.13 -0.14 0.03 0.00 -0.30 0.00 0.00 42.92 42.39 2k4v s ASP 56 CO -0.06 0.11 0.06 -0.94 -0.17 0.00 0.00 175.17 174.17 2k4v s SER 57 N -0.19 0.66 0.01 -0.34 1.04 -1.26 -0.79 113.70 112.82 2k4v s SER 57 Ca 0.03 0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.58 2k4v s SER 57 Cb -0.04 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 2k4v s SER 57 CO -0.00 -0.20 -0.05 0.72 0.98 0.00 0.00 173.24 174.68 2k4v s PHE 58 N 1.75 0.45 -0.09 5.02 -0.71 -0.68 -5.01 117.98 118.70 2k4v s PHE 58 Ca -0.01 -0.17 0.04 0.00 -1.04 0.00 0.00 56.93 55.76 2k4v s PHE 58 Cb -0.12 -0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.40 2k4v s PHE 58 CO -0.03 -0.03 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.39 2k4v s GLU 59 N -0.41 2.79 -0.07 1.99 2.02 -1.26 -1.10 118.70 122.66 2k4v s GLU 59 Ca -0.01 -0.81 0.02 0.00 0.02 0.00 0.00 54.97 54.19 2k4v s GLU 59 Cb -0.03 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2k4v s GLU 59 CO -0.00 0.18 -0.13 -0.51 0.02 0.00 0.00 175.26 174.82 2k4v s LEU 60 N 0.33 1.68 0.80 1.80 1.43 -0.97 -5.03 118.68 118.72 2k4v s LEU 60 Ca -0.17 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 2k4v s LEU 60 Cb -0.17 -0.85 0.07 0.00 0.03 0.00 0.00 46.19 45.26 2k4v s LEU 60 CO 0.08 0.04 1.11 -0.81 0.23 0.00 0.00 176.35 177.00 2k4v n PRO 61 N 3.76 0.21 -0.25 1.29 -0.04 -1.26 -1.49 135.00 137.21 2k4v n PRO 61 Ca -0.22 0.14 0.31 0.00 -0.04 0.00 0.00 63.50 63.69 2k4v n PRO 61 Cb 0.52 -2.36 0.54 0.00 -0.04 0.00 0.00 33.50 32.16 2k4v n PRO 61 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2k4v h ARG 62 N -0.83 0.00 0.00 0.54 0.11 -1.62 0.27 114.38 112.86 2k4v h ARG 62 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 2k4v h ARG 62 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 2k4v h ARG 62 CO 0.45 0.00 -0.38 -0.25 0.10 0.00 0.00 179.97 179.90 2k4v n ASP 63 N -3.43 0.62 0.00 0.08 8.00 -1.26 -3.90 116.55 116.67 2k4v n ASP 63 Ca 0.25 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.97 2k4v n ASP 63 Cb 1.49 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.44 2k4v n ASP 63 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2k4v n THR 64 N -1.99 0.00 -0.20 -3.53 -2.24 -0.12 -4.83 114.28 101.37 2k4v n THR 64 Ca 0.05 -0.19 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 2k4v n THR 64 Cb 0.41 1.47 0.32 0.00 -2.10 0.00 0.00 70.33 70.44 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 1.64 0.00 6.98 0.00 -0.67 -1.55 119.26 125.67 2k4v h ALA 65 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k4v h ALA 65 Cb 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2k4v h ALA 65 CO 0.00 0.25 0.00 1.19 0.00 0.00 0.00 179.25 180.69 2k4v n PHE 66 N -4.47 0.00 1.10 0.00 3.72 -1.26 -2.49 117.46 114.05 2k4v n PHE 66 Ca 0.10 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.63 2k4v n PHE 66 Cb 0.19 -0.47 0.25 0.00 -0.94 0.00 0.00 39.48 38.51 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 -1.47 0.87 -0.22 4.37 3.02 -0.58 -4.31 115.26 116.94 2k4v n ASN 67 Ca 0.04 -0.67 0.14 0.00 -0.03 0.00 0.00 54.58 54.05 2k4v n ASN 67 Cb 0.16 0.29 0.44 0.00 -0.61 0.00 0.00 39.78 40.06 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2k4v h PHE 68 N 0.67 0.66 -0.43 3.10 -0.00 -1.60 -1.79 116.94 117.55 2k4v h PHE 68 Ca 0.00 0.02 0.12 0.00 -0.00 0.00 0.00 57.97 58.11 2k4v h PHE 68 Cb 0.52 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 36.25 2k4v h PHE 68 CO 0.00 0.25 0.42 0.00 -0.00 0.00 0.00 178.31 178.98 2k4v h ALA 69 N 1.62 2.18 0.10 12.09 0.00 -1.84 0.49 119.26 133.90 2k4v h ALA 69 Ca 0.41 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2k4v h ALA 69 Cb 0.79 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2k4v h ALA 69 CO -0.16 -0.64 -0.05 0.77 0.00 0.00 0.00 179.25 179.16 2k4v h SER 70 N 0.00 -0.12 0.15 0.00 0.02 -1.65 -3.27 113.55 108.68 2k4v h SER 70 Ca 0.20 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2k4v h SER 70 Cb 1.05 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2k4v h SER 70 CO -0.00 0.46 -0.07 -0.78 -1.14 0.00 0.00 176.83 175.29 2k4v h ASP 71 N -0.76 -0.17 -1.08 3.07 3.58 -1.06 -0.31 116.42 119.68 2k4v h ASP 71 Ca -0.01 -0.37 0.34 0.00 0.42 0.00 0.00 57.03 57.40 2k4v h ASP 71 Cb 0.56 0.04 -0.13 0.00 1.72 0.00 0.00 39.33 41.52 2k4v h ASP 71 CO 0.02 0.39 0.65 0.00 -2.88 0.00 0.00 179.24 177.43 2k4v h ALA 72 N -0.29 2.18 0.07 -0.78 0.00 -0.34 0.14 119.26 120.24 2k4v h ALA 72 Ca -0.02 0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.77 2k4v h ALA 72 Cb 0.53 0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.47 2k4v h ALA 72 CO 0.03 -0.75 -1.12 1.15 0.00 0.00 0.00 179.25 178.56 2k4v h THR 73 N 0.29 1.36 -0.17 0.00 2.02 -1.60 -3.19 112.91 111.62 2k4v h THR 73 Ca 0.73 -2.53 -0.01 0.00 0.77 0.00 0.00 66.41 65.37 2k4v h THR 73 Cb 1.84 2.60 -0.01 0.00 -1.74 0.00 0.00 68.15 70.84 2k4v h THR 73 CO -0.50 0.76 0.08 -0.09 0.37 0.00 0.00 175.52 176.13 2k4v h ARG 74 N 0.24 0.25 -0.88 6.66 2.43 0.10 -0.30 114.38 122.88 2k4v h ARG 74 Ca -0.14 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.98 2k4v h ARG 74 Cb 1.78 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.25 2k4v h ARG 74 CO 0.20 0.30 0.50 0.28 -1.51 0.00 0.00 179.97 179.75 2k4v h VAL 75 N 0.14 1.25 -0.31 0.20 2.07 -1.09 -1.36 116.25 117.15 2k4v h VAL 75 Ca 0.06 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2k4v h VAL 75 Cb 0.14 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2k4v h VAL 75 CO -0.01 0.27 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 2k4v h ALA 76 N 1.33 0.42 0.00 1.67 0.00 -1.47 -3.01 119.26 118.21 2k4v h ALA 76 Ca 0.31 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2k4v h ALA 76 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k4v h ALA 76 CO -0.05 0.20 -0.57 -0.56 0.00 0.00 0.00 179.25 178.27 2k4v h GLN 77 N 0.35 0.00 -0.42 0.00 -0.00 -0.87 -2.33 115.11 111.85 2k4v h GLN 77 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.74 2k4v h GLN 77 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.94 2k4v h GLN 77 CO 0.02 0.57 0.27 0.87 -0.00 0.00 0.00 178.83 180.56 2k4v h LYS 78 N 0.00 0.54 -0.00 0.06 1.57 -1.22 -3.02 116.57 114.50 2k4v h LYS 78 Ca -0.01 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2k4v h LYS 78 Cb 1.27 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 2k4v h LYS 78 CO 0.07 0.36 -0.72 0.45 -0.57 0.00 0.00 179.45 179.04 2k4v h HIS 79 N 0.56 0.04 0.00 -1.35 3.86 -1.38 -3.46 115.15 113.41 2k4v h HIS 79 Ca 0.16 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2k4v h HIS 79 Cb -0.05 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2k4v h HIS 79 CO -0.05 0.74 0.00 0.41 0.86 0.00 0.00 177.93 179.89 2k4v n GLY 80 N 0.54 -0.23 3.03 2.45 0.00 -0.89 -4.86 105.19 105.24 2k4v n GLY 80 Ca -0.01 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2k4v n GLY 80 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4v s LEU 81 N 0.00 2.33 0.23 0.99 2.96 -1.15 -4.91 118.68 119.13 2k4v s LEU 81 Ca 0.00 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 2k4v s LEU 81 Cb 0.00 0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.77 2k4v s LEU 81 CO 0.00 -0.38 0.00 1.57 -1.32 0.00 0.00 176.35 176.22 2k4v n HIS 82 N 1.08 -3.38 0.00 5.38 -0.00 -1.26 -4.47 115.22 112.58 2k4v n HIS 82 Ca -0.20 0.80 0.00 0.00 -0.00 0.00 0.00 57.72 58.32 2k4v n HIS 82 Cb 0.57 2.20 0.00 0.00 -0.00 0.00 0.00 29.99 32.76 2k4v n HIS 82 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2k4v n PRO 83 N -3.06 0.00 0.00 1.57 -0.02 -1.26 -0.81 135.00 131.42 2k4v n PRO 83 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 2k4v n PRO 83 Cb 0.00 0.00 0.60 0.00 -0.02 0.00 0.00 33.50 34.08 2k4v n PRO 83 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k4v n LYS 84 N 0.00 0.34 -0.01 -0.52 5.02 -1.26 -4.18 118.16 117.56 2k4v n LYS 84 Ca 0.00 -0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 2k4v n LYS 84 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.44 2k4v n LYS 84 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2k4v h PHE 85 N 0.20 -0.09 0.00 2.13 0.04 -1.98 -3.47 116.94 113.77 2k4v h PHE 85 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2k4v h PHE 85 Cb 0.40 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2k4v h PHE 85 CO 0.00 0.42 0.00 0.41 -0.60 0.00 0.00 178.31 178.54 2k4v n GLY 86 N 1.18 2.62 3.48 -1.45 0.00 0.01 -4.62 105.19 106.40 2k4v n GLY 86 Ca -0.07 0.24 -0.24 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 s ALA 87 N -1.04 2.78 0.30 4.61 0.00 -1.26 -5.01 121.76 122.13 2k4v s ALA 87 Ca 0.00 -1.89 0.28 0.00 0.00 0.00 0.00 51.96 50.35 2k4v s ALA 87 Cb 0.00 -0.26 1.31 0.00 0.00 0.00 0.00 23.12 24.17 2k4v s ALA 87 CO 0.00 0.27 1.99 -0.84 0.00 0.00 0.00 175.76 177.18 2k4v h ILE 88 N 2.24 0.47 0.07 0.00 3.07 -1.82 -2.06 117.51 119.48 2k4v h ILE 88 Ca -0.40 -0.71 -0.24 0.00 1.55 0.00 0.00 64.86 65.05 2k4v h ILE 88 Cb 1.26 1.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2k4v h ILE 88 CO 0.61 0.14 -1.09 0.71 -1.05 0.00 0.00 178.15 177.47 2k4v h THR 89 N 0.00 1.51 0.48 0.16 1.35 -1.96 -3.38 112.91 111.07 2k4v h THR 89 Ca -0.00 -2.92 -0.02 0.00 -0.55 0.00 0.00 66.41 62.91 2k4v h THR 89 Cb 0.48 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2k4v h THR 89 CO 0.02 0.85 -0.23 -0.09 -0.25 0.00 0.00 175.52 175.82 2k4v h ARG 90 N 0.10 -0.62 -6.22 4.72 9.65 -1.81 -3.46 114.38 116.74 2k4v h ARG 90 Ca -0.09 0.04 -0.59 0.00 -1.10 0.00 0.00 59.98 58.24 2k4v h ARG 90 Cb 1.78 0.14 -0.24 0.00 -1.39 0.00 0.00 29.97 30.26 2k4v h ARG 90 CO 0.17 -0.40 -0.84 0.14 2.80 0.00 0.00 179.97 181.84 2k4v s VAL 91 N -3.72 1.76 -1.02 0.20 -7.23 -0.83 -5.02 120.40 104.54 2k4v s VAL 91 Ca -0.10 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.48 2k4v s VAL 91 Cb 0.01 -1.55 -0.03 0.00 0.56 0.00 0.00 36.38 35.37 2k4v s VAL 91 CO 0.30 0.13 1.83 -1.00 -0.31 0.00 0.00 175.10 176.05 2k4v s HIS 92 N -0.93 2.07 -0.37 2.82 3.76 -1.26 -4.12 115.29 117.25 2k4v s HIS 92 Ca 0.08 0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2k4v s HIS 92 Cb -0.09 -4.23 0.16 0.00 1.11 0.00 0.00 32.58 29.53 2k4v s HIS 92 CO 0.03 -1.67 2.30 1.17 -0.85 0.00 0.00 174.74 175.72 2k4v n LYS 93 N 8.70 2.03 -1.88 1.40 4.81 -1.26 -4.79 118.16 127.17 2k4v n LYS 93 Ca 0.41 -1.86 -0.19 0.00 -0.87 0.00 0.00 58.31 55.79 2k4v n LYS 93 Cb 0.48 -1.81 -0.05 0.00 0.02 0.00 0.00 35.03 33.66 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2k4v n GLU 94 N 0.52 -1.56 -0.04 1.64 1.02 -1.26 -4.88 120.64 116.08 2k4v n GLU 94 Ca 0.37 1.05 -0.12 0.00 -0.02 0.00 0.00 57.16 58.44 2k4v n GLU 94 Cb 0.58 -5.52 -0.06 0.00 -0.02 0.00 0.00 31.44 26.42 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 0.00 0.23 -0.76 -0.32 3.20 -1.95 -1.41 116.97 115.97 2k4v h TYR 95 Ca -0.41 -0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.52 2k4v h TYR 95 Cb 1.28 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 2k4v h TYR 95 CO 0.56 0.42 0.50 0.22 -1.64 0.00 0.00 178.16 178.21 2k4v h ASP 96 N -0.02 0.58 -0.20 -2.11 3.58 -1.98 0.45 116.42 116.72 2k4v h ASP 96 Ca 0.04 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2k4v h ASP 96 Cb 0.31 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2k4v h ASP 96 CO 0.00 0.34 -0.21 0.00 -2.88 0.00 0.00 179.24 176.50 2k4v h ALA 97 N 1.62 0.30 -0.44 -0.78 0.00 -1.93 -2.78 119.26 115.26 2k4v h ALA 97 Ca 0.35 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k4v h ALA 97 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k4v h ALA 97 CO -0.13 0.24 0.26 1.98 0.00 0.00 0.00 179.25 181.61 2k4v h MET 98 N 0.18 0.58 0.21 0.00 1.85 -0.49 -2.86 114.93 114.40 2k4v h MET 98 Ca 0.03 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.07 2k4v h MET 98 Cb 0.76 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.66 2k4v h MET 98 CO 0.05 0.41 -0.10 0.35 -0.40 0.00 0.00 176.91 177.22 2k4v h PHE 99 N 0.60 -0.26 0.00 1.39 3.04 -0.08 -2.29 116.94 119.35 2k4v h PHE 99 Ca 0.16 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.09 2k4v h PHE 99 Cb -0.02 0.08 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 2k4v h PHE 99 CO 0.00 0.13 -0.07 1.05 -2.02 0.00 0.00 178.31 177.40 2k4v h GLU 100 N -0.75 0.00 0.30 1.11 4.11 -1.54 -1.02 114.58 116.79 2k4v h GLU 100 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2k4v h GLU 100 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k4v h GLU 100 CO 0.05 0.07 -0.15 0.22 0.07 0.00 0.00 179.01 179.27 2k4v h ASP 101 N 0.00 -0.34 -0.68 3.06 3.58 -1.45 -3.13 116.42 117.44 2k4v h ASP 101 Ca -0.00 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2k4v h ASP 101 Cb 0.14 0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.25 2k4v h ASP 101 CO 0.01 0.04 0.33 0.40 -2.88 0.00 0.00 179.24 177.14 2k4v h ILE 102 N -0.79 1.23 -0.11 2.25 2.04 -1.10 -2.02 117.51 119.01 2k4v h ILE 102 Ca -0.04 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2k4v h ILE 102 Cb 0.51 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2k4v h ILE 102 CO 0.07 0.27 -0.09 0.08 0.00 0.00 0.00 178.15 178.48 2k4v h ARG 103 N 0.95 0.17 -0.16 2.37 -0.00 -1.31 -1.19 114.38 115.21 2k4v h ARG 103 Ca 0.23 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.98 60.00 2k4v h ARG 103 Cb 0.12 -0.03 0.01 0.00 -0.00 0.00 0.00 29.97 30.07 2k4v h ARG 103 CO -0.03 0.27 -0.60 0.00 -0.00 0.00 0.00 179.97 179.61 2k4v h ALA 104 N 1.75 0.29 -0.30 0.08 0.00 -1.43 -2.36 119.26 117.29 2k4v h ALA 104 Ca 0.04 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.44 2k4v h ALA 104 Cb 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k4v h ALA 104 CO 0.01 0.54 0.11 -0.22 0.00 0.00 0.00 179.25 179.70 2k4v h LYS 105 N 0.39 0.24 -0.54 0.00 1.63 -0.75 -0.25 116.57 117.29 2k4v h LYS 105 Ca -0.03 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.66 2k4v h LYS 105 Cb 1.23 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 2k4v h LYS 105 CO 0.13 0.16 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.16 2k4v h LEU 106 N 0.25 0.96 -1.81 5.20 -0.00 -1.28 -0.88 115.31 117.75 2k4v h LEU 106 Ca 0.13 -0.29 0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2k4v h LEU 106 Cb 0.09 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2k4v h LEU 106 CO -0.13 1.05 0.18 -0.74 -0.00 0.00 0.00 178.44 178.80 2k4v h HIS 107 N 0.88 0.24 -0.10 1.13 2.76 -1.31 -3.47 115.15 115.29 2k4v h HIS 107 Ca 0.15 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 2k4v h HIS 107 Cb 0.59 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 29.45 2k4v h HIS 107 CO 0.04 0.14 -0.04 0.00 -1.30 0.00 0.00 177.93 176.77 2k4v n ALA 108 N -2.52 -0.03 -3.69 5.26 0.00 -0.15 -5.00 120.51 114.38 2k4v n ALA 108 Ca 0.02 0.03 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 2k4v n ALA 108 Cb 0.16 -0.66 -0.15 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.84 -0.19 0.07 0.00 3.76 -0.93 -5.01 115.29 111.16 2k4v s HIS 109 Ca 0.00 0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 55.20 2k4v s HIS 109 Cb 0.00 -0.20 -0.06 0.00 1.11 0.00 0.00 32.58 33.43 2k4v s HIS 109 CO 0.00 -0.25 1.18 -2.14 -0.85 0.00 0.00 174.74 172.69 2k4v s PRO 110 N 2.00 4.45 -1.45 8.40 0.02 -1.26 -4.67 135.00 142.49 2k4v s PRO 110 Ca -0.00 1.76 -0.13 0.00 0.02 0.00 0.00 61.00 62.64 2k4v s PRO 110 Cb -0.12 -3.34 0.05 0.00 0.02 0.00 0.00 34.50 31.11 2k4v s PRO 110 CO -0.06 -0.22 2.24 0.41 -0.33 0.00 0.00 177.00 179.03 2k4v n GLY 111 N 3.09 4.45 3.77 0.52 0.00 -1.26 -4.98 105.19 110.78 2k4v n GLY 111 Ca 0.08 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 2k4v n GLY 111 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k4v s GLU 112 N 2.82 2.88 0.49 1.61 -1.05 -1.26 -5.03 118.70 119.16 2k4v s GLU 112 Ca 0.48 1.38 -0.21 0.00 -0.15 0.00 0.00 54.97 56.47 2k4v s GLU 112 Cb 0.14 -1.96 -0.07 0.00 -0.44 0.00 0.00 34.13 31.80 2k4v s GLU 112 CO -0.08 -1.19 1.13 -1.25 0.95 0.00 0.00 175.26 174.82 2k4v s PRO 113 N -4.05 3.64 0.04 -4.83 0.04 -1.26 -5.08 135.00 123.50 2k4v s PRO 113 Ca 0.67 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.37 2k4v s PRO 113 Cb -0.20 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2k4v s PRO 113 CO 0.40 -0.62 -0.06 0.54 0.04 0.00 0.00 177.00 177.31 2k4v s VAL 114 N -1.68 0.38 -0.27 -0.36 0.11 -1.26 -5.08 120.40 112.25 2k4v s VAL 114 Ca 0.67 -1.20 0.11 0.00 -2.93 0.00 0.00 61.98 58.62 2k4v s VAL 114 Cb -0.25 -0.72 0.52 0.00 -1.53 0.00 0.00 36.38 34.40 2k4v s VAL 114 CO 0.30 -0.55 1.48 0.47 -3.33 0.00 0.00 175.10 173.47 2k4v n ASP 115 N 1.18 2.97 0.17 3.54 8.00 -1.26 -4.73 116.55 126.42 2k4v n ASP 115 Ca -0.21 -3.54 0.02 0.00 0.71 0.00 0.00 54.79 51.77 2k4v n ASP 115 Cb 0.56 -0.62 0.30 0.00 -0.02 0.00 0.00 41.12 41.34 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k4v h LEU 116 N 1.23 0.00 -1.04 0.64 8.10 -2.04 -2.64 115.31 119.56 2k4v h LEU 116 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2k4v h LEU 116 Cb 1.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.90 2k4v h LEU 116 CO 0.39 0.45 -0.15 -1.84 -4.11 0.00 0.00 178.44 173.18 2k4v n GLU 117 N -3.93 1.49 0.00 0.17 0.28 -1.26 -4.41 120.64 112.98 2k4v n GLU 117 Ca -0.01 -1.04 0.11 0.00 -0.16 0.00 0.00 57.16 56.06 2k4v n GLU 117 Cb 0.48 -1.48 0.51 0.00 1.43 0.00 0.00 31.44 32.38 2k4v n GLU 117 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 2k4v n ARG 118 N 0.15 0.04 -2.17 3.44 0.63 -1.00 -4.09 116.66 113.67 2k4v n ARG 118 Ca 0.14 0.10 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 2k4v n ARG 118 Cb 0.42 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2k4v n ARG 118 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2k4v n ILE 119 N -1.47 4.48 -3.27 5.15 -0.00 -1.26 -4.71 119.36 118.28 2k4v n ILE 119 Ca 0.06 -4.20 -0.23 0.00 -0.00 0.00 0.00 62.75 58.38 2k4v n ILE 119 Cb 0.26 -2.32 0.01 0.00 -0.00 0.00 0.00 39.64 37.59 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 3.11 -1.37 -2.44 1.39 5.41 -1.26 -4.92 119.36 119.28 2k4v n ILE 120 Ca 0.47 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.81 2k4v n ILE 120 Cb 0.33 -2.40 -0.03 0.00 -0.71 0.00 0.00 39.64 36.83 2k4v n ILE 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k4v s ARG 121 N -5.93 4.51 -0.06 0.38 1.70 -1.26 -5.04 118.95 113.25 2k4v s ARG 121 Ca 0.38 1.79 -0.03 0.00 -0.47 0.00 0.00 55.73 57.40 2k4v s ARG 121 Cb -0.19 -3.28 0.04 0.00 -0.57 0.00 0.00 34.95 30.95 2k4v s ARG 121 CO 0.46 -0.07 0.13 -1.01 -1.08 0.00 0.00 175.30 173.73 2k4v s HIS 122 N 0.16 -0.14 -0.04 5.89 3.76 -1.26 -5.06 115.29 118.61 2k4v s HIS 122 Ca 0.53 0.47 0.17 0.00 -0.15 0.00 0.00 55.06 56.07 2k4v s HIS 122 Cb -0.31 -0.16 0.29 0.00 1.11 0.00 0.00 32.58 33.51 2k4v s HIS 122 CO 0.34 -0.19 1.55 0.93 -0.85 0.00 0.00 174.74 176.52 2k4v h GLU 123 N 7.58 0.00 -1.32 1.40 3.07 -2.05 -3.36 114.58 119.90 2k4v h GLU 123 Ca -0.35 0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.09 2k4v h GLU 123 Cb 1.13 0.00 -0.29 0.00 -0.84 0.00 0.00 28.75 28.75 2k4v h GLU 123 CO 0.35 0.46 -0.84 0.41 -1.40 0.00 0.00 179.01 177.99 2k4v n GLY 124 N 0.88 1.57 0.00 -3.84 0.00 -1.26 -5.38 105.19 97.15 2k4v n GLY 124 Ca 0.01 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.30 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18