#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 -1.70 3.56 2.61 0.00 -1.26 -4.42 105.19 103.99 2k4v n GLY 2 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2k4v n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k4v s HIS 3 N 0.00 2.50 -0.07 1.61 2.46 -1.25 -4.05 115.29 116.47 2k4v s HIS 3 Ca 0.00 -0.83 0.03 0.00 0.47 0.00 0.00 55.06 54.74 2k4v s HIS 3 Cb 0.00 -4.63 0.00 0.00 -0.13 0.00 0.00 32.58 27.83 2k4v s HIS 3 CO 0.00 -1.87 -0.18 1.41 -2.47 0.00 0.00 174.74 171.63 2k4v s MET 4 N 5.06 2.26 0.09 2.88 0.00 -0.89 -4.99 119.30 123.71 2k4v s MET 4 Ca 0.51 -0.64 0.08 0.00 0.00 0.00 0.00 55.69 55.64 2k4v s MET 4 Cb 0.00 -1.80 -0.04 0.00 0.00 0.00 0.00 34.83 33.00 2k4v s MET 4 CO -0.05 0.13 -0.18 0.12 0.00 0.00 0.00 175.02 175.05 2k4v s PHE 5 N 0.41 2.54 0.07 4.11 5.36 -1.26 -1.16 117.98 128.05 2k4v s PHE 5 Ca -0.14 -0.26 -0.13 0.00 -0.96 0.00 0.00 56.93 55.44 2k4v s PHE 5 Cb -0.16 -1.38 0.02 0.00 -0.34 0.00 0.00 43.02 41.16 2k4v s PHE 5 CO 0.05 0.35 0.30 -1.83 -1.46 0.00 0.00 175.22 172.63 2k4v s GLU 6 N -1.94 0.88 -0.37 10.12 -1.05 -0.36 -5.01 118.70 120.97 2k4v s GLU 6 Ca 0.17 -0.65 -0.27 0.00 -0.15 0.00 0.00 54.97 54.07 2k4v s GLU 6 Cb -0.11 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2k4v s GLU 6 CO 0.09 -0.30 2.23 -2.14 0.95 0.00 0.00 175.26 176.10 2k4v s PRO 7 N -3.13 2.68 0.00 -4.83 0.02 -1.26 -2.01 135.00 126.46 2k4v s PRO 7 Ca -0.01 1.61 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2k4v s PRO 7 Cb 0.01 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.08 2k4v s PRO 7 CO -0.07 -2.63 0.00 0.41 -0.33 0.00 0.00 177.00 174.38 2k4v n GLY 8 N 5.83 1.97 3.46 0.52 0.00 -1.26 -5.09 105.19 110.62 2k4v n GLY 8 Ca 0.31 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.06 -0.56 0.00 1.61 5.65 -0.85 -1.50 115.29 117.58 2k4v s HIS 9 Ca 0.00 0.87 -0.00 0.00 0.25 0.00 0.00 55.06 56.18 2k4v s HIS 9 Cb 0.00 0.38 -0.01 0.00 -1.18 0.00 0.00 32.58 31.77 2k4v s HIS 9 CO 0.00 -0.61 -0.00 -1.17 -0.65 0.00 0.00 174.74 172.30 2k4v s LEU 10 N -1.46 2.04 -0.03 8.88 2.96 0.34 -1.22 118.68 130.19 2k4v s LEU 10 Ca -0.09 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 2k4v s LEU 10 Cb -0.01 0.06 -0.01 0.00 0.50 0.00 0.00 46.19 46.73 2k4v s LEU 10 CO 0.06 -0.10 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.51 2k4v s HIS 11 N -0.46 1.86 -0.08 5.38 5.65 -0.31 -0.88 115.29 126.46 2k4v s HIS 11 Ca -0.05 -0.45 -0.02 0.00 0.25 0.00 0.00 55.06 54.79 2k4v s HIS 11 Cb -0.03 -1.22 0.03 0.00 -1.18 0.00 0.00 32.58 30.18 2k4v s HIS 11 CO -0.00 -0.11 0.02 -0.48 -0.65 0.00 0.00 174.74 173.52 2k4v s LEU 12 N -0.24 0.55 0.48 8.88 2.34 -0.73 -2.09 118.68 127.87 2k4v s LEU 12 Ca 0.02 -0.15 0.08 0.00 0.06 0.00 0.00 54.13 54.14 2k4v s LEU 12 Cb -0.10 -0.39 0.02 0.00 -0.56 0.00 0.00 46.19 45.16 2k4v s LEU 12 CO 0.01 -0.22 0.52 0.68 -1.06 0.00 0.00 176.35 176.28 2k4v s VAL 13 N 2.01 2.41 -0.65 1.48 -7.23 -1.26 -1.17 120.40 115.99 2k4v s VAL 13 Ca 0.04 -1.22 -0.27 0.00 -1.81 0.00 0.00 61.98 58.73 2k4v s VAL 13 Cb -0.13 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2k4v s VAL 13 CO -0.05 0.00 1.17 -0.55 -0.31 0.00 0.00 175.10 175.36 2k4v s SER 14 N -4.33 6.29 0.43 4.85 0.15 -1.02 -4.75 113.70 115.31 2k4v s SER 14 Ca 0.50 -0.30 -0.25 0.00 0.70 0.00 0.00 55.95 56.61 2k4v s SER 14 Cb -0.05 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 2k4v s SER 14 CO 0.30 -1.59 1.24 -1.48 1.20 0.00 0.00 173.24 172.91 2k4v s LEU 15 N 5.05 4.12 -0.86 3.45 0.05 -1.26 -4.85 118.68 124.38 2k4v s LEU 15 Ca 0.36 2.51 -0.25 0.00 0.05 0.00 0.00 54.13 56.79 2k4v s LEU 15 Cb -0.09 -4.06 -0.12 0.00 -2.05 0.00 0.00 46.19 39.87 2k4v s LEU 15 CO 0.19 -0.91 2.23 -2.16 -0.55 0.00 0.00 176.35 175.15 2k4v s PRO 16 N -2.44 1.88 0.00 1.48 0.04 -1.26 -1.90 135.00 132.79 2k4v s PRO 16 Ca 0.60 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2k4v s PRO 16 Cb -0.34 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2k4v s PRO 16 CO 0.43 -4.21 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2k4v n GLY 17 N 6.74 1.48 2.96 0.56 0.00 -1.26 -5.06 105.19 110.60 2k4v n GLY 17 Ca 0.44 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 2k4v n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4v s LEU 18 N 0.00 4.60 0.44 0.99 1.43 -0.80 -5.07 118.68 120.27 2k4v s LEU 18 Ca 0.00 -3.28 0.00 0.00 -1.03 0.00 0.00 54.13 49.82 2k4v s LEU 18 Cb 0.00 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.55 2k4v s LEU 18 CO 0.00 -0.20 0.00 0.47 0.23 0.00 0.00 176.35 176.85 2k4v n ASP 19 N 2.77 -5.76 -3.94 2.29 8.00 -1.26 -4.34 116.55 114.31 2k4v n ASP 19 Ca 0.10 1.03 -0.31 0.00 0.71 0.00 0.00 54.79 56.32 2k4v n ASP 19 Cb 0.34 -3.58 -0.15 0.00 -0.02 0.00 0.00 41.12 37.71 2k4v n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k4v s GLN 20 N -3.82 1.44 0.13 -1.24 -2.07 -1.26 -4.65 119.66 108.19 2k4v s GLN 20 Ca 0.00 -1.90 -0.20 0.00 -1.82 0.00 0.00 55.36 51.43 2k4v s GLN 20 Cb 0.00 -2.99 0.05 0.00 -1.09 0.00 0.00 33.01 28.98 2k4v s GLN 20 CO 0.00 -0.99 0.51 1.14 -1.32 0.00 0.00 175.29 174.63 2k4v s GLN 21 N 0.76 1.16 -1.19 9.60 -2.07 -1.26 -5.08 119.66 121.58 2k4v s GLN 21 Ca 0.12 -0.52 -0.07 0.00 -1.82 0.00 0.00 55.36 53.08 2k4v s GLN 21 Cb -0.20 0.53 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2k4v s GLN 21 CO -0.09 -0.48 2.73 -3.47 -1.32 0.00 0.00 175.29 172.67 2k4v n ASP 22 N -0.19 7.83 -4.62 12.60 2.03 -1.26 -4.41 116.55 128.52 2k4v n ASP 22 Ca -0.17 -2.91 -0.40 0.00 0.52 0.00 0.00 54.79 51.82 2k4v n ASP 22 Cb 0.64 -1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.56 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 -0.07 5.01 -0.06 5.18 -5.25 -1.26 -0.79 121.20 123.96 2k4v s ILE 23 Ca 0.61 1.04 -0.02 0.00 -0.99 0.00 0.00 60.65 61.29 2k4v s ILE 23 Cb 0.22 -3.90 0.04 0.00 2.95 0.00 0.00 42.46 41.76 2k4v s ILE 23 CO -0.09 0.04 0.07 0.20 -1.79 0.00 0.00 174.94 173.37 2k4v s ASN 24 N 1.50 1.27 -0.01 4.36 0.01 -1.21 -2.44 114.94 118.42 2k4v s ASN 24 Ca 0.25 0.00 -0.01 0.00 -0.71 0.00 0.00 52.86 52.39 2k4v s ASN 24 Cb -0.16 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.38 2k4v s ASN 24 CO 0.09 -0.26 0.02 -0.63 -1.51 0.00 0.00 177.10 174.81 2k4v s ILE 25 N 2.17 -0.00 -0.15 0.60 1.01 -0.32 -1.84 121.20 122.68 2k4v s ILE 25 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 2k4v s ILE 25 Cb -0.13 -0.04 -0.03 0.00 0.01 0.00 0.00 42.46 42.27 2k4v s ILE 25 CO -0.04 0.01 -0.01 -1.00 0.00 0.00 0.00 174.94 173.90 2k4v s HIS 26 N 0.07 3.11 -0.22 3.97 3.76 0.51 -1.78 115.29 124.70 2k4v s HIS 26 Ca -0.01 -0.11 -0.00 0.00 -0.15 0.00 0.00 55.06 54.80 2k4v s HIS 26 Cb -0.01 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.79 2k4v s HIS 26 CO -0.00 0.11 -0.03 0.42 -0.85 0.00 0.00 174.74 174.39 2k4v s ILE 27 N 0.11 1.25 -0.12 0.60 1.01 -0.05 -2.50 121.20 121.50 2k4v s ILE 27 Ca 0.01 -1.03 -0.07 0.00 0.00 0.00 0.00 60.65 59.56 2k4v s ILE 27 Cb -0.13 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 2k4v s ILE 27 CO 0.02 -0.12 0.14 -0.13 0.00 0.00 0.00 174.94 174.85 2k4v s ARG 28 N 1.52 3.47 -0.20 2.79 0.52 -0.20 -0.50 118.95 126.36 2k4v s ARG 28 Ca -0.04 -0.12 0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2k4v s ARG 28 Cb -0.18 -3.20 0.04 0.00 0.52 0.00 0.00 34.95 32.13 2k4v s ARG 28 CO -0.07 0.76 -0.13 1.52 0.02 0.00 0.00 175.30 177.40 2k4v s TYR 29 N -0.98 2.60 -0.21 -0.53 1.13 -0.56 -1.96 117.35 116.83 2k4v s TYR 29 Ca 0.15 -1.66 0.01 0.00 -1.41 0.00 0.00 57.07 54.16 2k4v s TYR 29 Cb -0.12 -1.75 0.05 0.00 -1.10 0.00 0.00 41.96 39.04 2k4v s TYR 29 CO 0.04 -0.77 -0.10 -1.21 -2.51 0.00 0.00 175.55 171.00 2k4v s GLU 30 N 1.34 2.00 0.03 -3.49 2.02 -0.06 -4.49 118.70 116.05 2k4v s GLU 30 Ca 0.00 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.75 2k4v s GLU 30 Cb -0.15 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.51 2k4v s GLU 30 CO -0.09 -0.48 0.96 0.08 0.02 0.00 0.00 175.26 175.76 2k4v s VAL 31 N 1.35 4.77 0.10 2.63 1.01 -1.26 -0.33 120.40 128.67 2k4v s VAL 31 Ca -0.03 2.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.91 2k4v s VAL 31 Cb -0.17 -4.31 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 2k4v s VAL 31 CO -0.07 0.21 0.20 -0.60 0.00 0.00 0.00 175.10 174.84 2k4v s ARG 32 N 0.70 0.91 -0.24 2.72 3.52 -0.78 -4.93 118.95 120.85 2k4v s ARG 32 Ca 0.50 -1.02 -0.05 0.00 -0.13 0.00 0.00 55.73 55.03 2k4v s ARG 32 Cb -0.22 0.35 -0.01 0.00 -1.56 0.00 0.00 34.95 33.51 2k4v s ARG 32 CO 0.28 -0.30 0.01 -0.65 -0.81 0.00 0.00 175.30 173.83 2k4v s GLN 33 N -3.89 3.43 0.06 5.12 -1.52 -1.26 -1.46 119.66 120.15 2k4v s GLN 33 Ca 0.08 -0.60 -0.06 0.00 -1.95 0.00 0.00 55.36 52.83 2k4v s GLN 33 Cb 0.05 -3.15 -0.05 0.00 -0.22 0.00 0.00 33.01 29.64 2k4v s GLN 33 CO -0.08 -0.22 0.32 0.54 -0.25 0.00 0.00 175.29 175.59 2k4v s ASN 34 N 1.52 6.51 0.48 5.90 6.03 0.59 -4.99 114.94 130.97 2k4v s ASN 34 Ca 0.06 0.58 0.31 0.00 -1.03 0.00 0.00 52.86 52.77 2k4v s ASN 34 Cb -0.15 -2.09 1.19 0.00 -3.03 0.00 0.00 41.25 37.17 2k4v s ASN 34 CO -0.00 0.17 1.90 0.00 -2.03 0.00 0.00 177.10 177.13 2k4v h ALA 35 N 3.51 1.00 0.22 3.54 0.00 -2.00 -0.98 119.26 124.56 2k4v h ALA 35 Ca -0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2k4v h ALA 35 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k4v h ALA 35 CO 0.69 0.00 -0.11 1.49 0.00 0.00 0.00 179.25 181.32 2k4v h GLU 36 N 0.00 -0.28 0.00 0.00 4.81 -2.01 -3.40 114.58 113.69 2k4v h GLU 36 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2k4v h GLU 36 Cb 0.53 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2k4v h GLU 36 CO 0.00 0.09 0.00 0.45 -0.73 0.00 0.00 179.01 178.82 2k4v n SER 37 N -4.98 1.01 0.00 1.04 2.88 -1.24 -5.10 113.62 107.23 2k4v n SER 37 Ca -0.08 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.40 2k4v n SER 37 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 2k4v n SER 37 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k4v n GLY 38 N -0.03 1.46 3.78 0.46 0.00 -0.37 -4.87 105.19 105.62 2k4v n GLY 38 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.65 3.21 0.35 4.61 0.00 -1.26 -0.30 121.76 126.72 2k4v s ALA 39 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 2k4v s ALA 39 Cb 0.00 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.94 2k4v s ALA 39 CO 0.00 0.09 0.64 1.52 0.00 0.00 0.00 175.76 178.02 2k4v s TYR 40 N -1.57 0.48 -0.10 0.00 1.13 -0.53 -1.97 117.35 114.78 2k4v s TYR 40 Ca 0.50 -0.95 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 2k4v s TYR 40 Cb -0.20 0.43 0.02 0.00 -1.10 0.00 0.00 41.96 41.11 2k4v s TYR 40 CO 0.26 -1.34 -0.11 0.08 -2.51 0.00 0.00 175.55 171.93 2k4v s VAL 41 N -2.83 1.17 -0.19 -3.49 1.01 -0.85 -1.86 120.40 113.37 2k4v s VAL 41 Ca 0.21 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2k4v s VAL 41 Cb -0.03 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 2k4v s VAL 41 CO 0.14 0.38 0.85 -2.28 0.00 0.00 0.00 175.10 174.20 2k4v s HIS 42 N 1.24 3.39 -0.19 5.22 2.46 0.55 -2.55 115.29 125.40 2k4v s HIS 42 Ca -0.03 1.26 -0.06 0.00 0.47 0.00 0.00 55.06 56.70 2k4v s HIS 42 Cb -0.14 -3.05 -0.03 0.00 -0.13 0.00 0.00 32.58 29.23 2k4v s HIS 42 CO -0.04 -0.30 0.02 -0.06 -2.47 0.00 0.00 174.74 171.90 2k4v s PHE 43 N 2.40 3.10 -0.19 3.88 0.08 -0.28 -0.88 117.98 126.09 2k4v s PHE 43 Ca 0.38 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.17 2k4v s PHE 43 Cb -0.16 -2.07 0.04 0.00 -0.57 0.00 0.00 43.02 40.26 2k4v s PHE 43 CO 0.11 -0.10 -0.09 0.34 -0.10 0.00 0.00 175.22 175.38 2k4v s ASP 44 N 0.76 3.18 0.10 1.36 2.15 -0.83 -2.16 116.67 121.23 2k4v s ASP 44 Ca 0.01 -0.80 0.10 0.00 0.43 0.00 0.00 52.55 52.29 2k4v s ASP 44 Cb -0.14 -1.12 -0.04 0.00 -0.30 0.00 0.00 42.92 41.32 2k4v s ASP 44 CO 0.02 -0.15 -0.26 -0.04 -0.17 0.00 0.00 175.17 174.57 2k4v s MET 45 N 1.48 1.47 0.08 4.34 -1.94 0.01 -1.03 119.30 123.71 2k4v s MET 45 Ca -0.00 -1.23 -0.27 0.00 -1.71 0.00 0.00 55.69 52.47 2k4v s MET 45 Cb -0.16 -1.83 0.08 0.00 2.01 0.00 0.00 34.83 34.94 2k4v s MET 45 CO -0.08 0.45 0.97 0.16 -0.01 0.00 0.00 175.02 176.51 2k4v s ASP 46 N -1.75 -0.23 0.00 3.03 -4.77 -1.04 -1.17 116.67 110.73 2k4v s ASP 46 Ca 0.12 -0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 2k4v s ASP 46 Cb -0.10 0.42 0.00 0.00 -1.09 0.00 0.00 42.92 42.15 2k4v s ASP 46 CO 0.04 -0.74 0.00 0.61 0.70 0.00 0.00 175.17 175.78 2k4v n GLY 47 N -0.39 -0.54 2.99 2.12 0.00 -0.93 -0.36 105.19 108.08 2k4v n GLY 47 Ca -0.07 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.79 0.42 -0.22 1.61 -1.05 -0.76 -2.02 118.70 114.88 2k4v s GLU 48 Ca 0.00 0.68 -0.10 0.00 -0.15 0.00 0.00 54.97 55.40 2k4v s GLU 48 Cb 0.00 -0.15 -0.05 0.00 -0.44 0.00 0.00 34.13 33.49 2k4v s GLU 48 CO 0.00 -0.63 0.14 0.42 0.95 0.00 0.00 175.26 176.14 2k4v s ILE 49 N 2.64 5.34 -1.55 1.83 1.01 -0.89 -3.35 121.20 126.23 2k4v s ILE 49 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2k4v s ILE 49 Cb -0.15 -3.47 0.00 0.00 0.01 0.00 0.00 42.46 38.85 2k4v s ILE 49 CO -0.17 0.39 0.00 -0.67 0.00 0.00 0.00 174.94 174.48 2k4v n ASP 50 N 3.96 -4.82 0.00 3.58 2.03 0.03 -1.62 116.55 119.71 2k4v n ASP 50 Ca -0.15 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2k4v n ASP 50 Cb 0.52 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.13 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 -1.04 1.11 3.55 0.27 0.00 -1.25 -5.02 105.19 102.80 2k4v n GLY 51 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.02 3.45 0.11 1.61 1.02 -0.64 -4.93 119.74 120.34 2k4v s LYS 52 Ca 0.00 -0.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.67 2k4v s LYS 52 Cb 0.00 -3.96 -0.08 0.00 -0.52 0.00 0.00 37.83 33.27 2k4v s LYS 52 CO 0.00 -1.25 1.39 -1.25 -0.92 0.00 0.00 175.35 173.32 2k4v s PRO 53 N 3.65 4.32 0.07 -1.68 0.04 -1.26 -2.10 135.00 138.04 2k4v s PRO 53 Ca 0.33 2.07 -0.00 0.00 0.04 0.00 0.00 61.00 63.44 2k4v s PRO 53 Cb -0.11 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2k4v s PRO 53 CO 0.24 -0.44 -0.04 -0.59 0.04 0.00 0.00 177.00 176.21 2k4v s PHE 54 N 1.14 0.67 -0.12 0.56 -0.71 -0.86 -4.98 117.98 113.68 2k4v s PHE 54 Ca 0.64 -1.02 -0.06 0.00 -1.04 0.00 0.00 56.93 55.45 2k4v s PHE 54 Cb -0.36 -0.44 0.05 0.00 -1.21 0.00 0.00 43.02 41.06 2k4v s PHE 54 CO 0.30 -0.30 0.29 0.45 -1.34 0.00 0.00 175.22 174.61 2k4v s SER 55 N -2.97 -0.27 0.01 1.98 0.15 -1.26 -2.18 113.70 109.15 2k4v s SER 55 Ca 0.09 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.40 2k4v s SER 55 Cb 0.07 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.89 2k4v s SER 55 CO -0.08 -0.18 -0.12 -0.62 1.20 0.00 0.00 173.24 173.44 2k4v s ASP 56 N 1.41 1.44 -0.06 5.45 2.15 -0.32 -4.98 116.67 121.76 2k4v s ASP 56 Ca -0.08 -0.30 -0.03 0.00 0.43 0.00 0.00 52.55 52.57 2k4v s ASP 56 Cb -0.10 -0.13 0.03 0.00 -0.30 0.00 0.00 42.92 42.41 2k4v s ASP 56 CO -0.10 0.10 0.13 -0.94 -0.17 0.00 0.00 175.17 174.19 2k4v s SER 57 N -0.57 -0.11 -0.01 -0.34 1.04 -1.26 -0.81 113.70 111.64 2k4v s SER 57 Ca 0.03 0.26 -0.03 0.00 0.48 0.00 0.00 55.95 56.70 2k4v s SER 57 Cb -0.06 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 2k4v s SER 57 CO 0.00 -0.11 0.05 0.72 0.98 0.00 0.00 173.24 174.88 2k4v s PHE 58 N 0.77 0.04 -0.09 5.02 -0.71 -0.92 -5.04 117.98 117.05 2k4v s PHE 58 Ca -0.06 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.77 2k4v s PHE 58 Cb -0.08 -0.05 0.01 0.00 -1.21 0.00 0.00 43.02 41.70 2k4v s PHE 58 CO -0.04 -0.13 -0.15 -1.21 -1.34 0.00 0.00 175.22 172.36 2k4v s GLU 59 N -0.66 2.09 -0.08 1.99 2.02 -1.26 -1.13 118.70 121.67 2k4v s GLU 59 Ca -0.07 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.42 2k4v s GLU 59 Cb -0.05 -1.75 0.01 0.00 0.10 0.00 0.00 34.13 32.44 2k4v s GLU 59 CO 0.00 -0.01 -0.18 -0.51 0.02 0.00 0.00 175.26 174.58 2k4v s LEU 60 N 0.84 1.85 0.82 1.80 1.43 -1.06 -5.02 118.68 119.34 2k4v s LEU 60 Ca -0.10 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 2k4v s LEU 60 Cb -0.15 -1.10 0.08 0.00 0.03 0.00 0.00 46.19 45.05 2k4v s LEU 60 CO 0.01 0.09 1.15 -0.81 0.23 0.00 0.00 176.35 177.02 2k4v n PRO 61 N 3.69 0.11 -0.21 1.29 -0.04 -1.26 -2.00 135.00 136.59 2k4v n PRO 61 Ca -0.21 0.11 0.30 0.00 -0.04 0.00 0.00 63.50 63.67 2k4v n PRO 61 Cb 0.52 -2.39 0.64 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.00 0.00 0.00 0.54 0.11 -1.72 0.20 114.38 112.51 2k4v h ARG 62 Ca -0.46 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.59 2k4v h ARG 62 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 2k4v h ARG 62 CO 0.45 0.00 -0.17 0.22 0.10 0.00 0.00 179.97 180.57 2k4v h ASP 63 N 0.00 0.00 0.00 0.08 3.58 -1.90 -3.34 116.42 114.85 2k4v h ASP 63 Ca 0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2k4v h ASP 63 Cb 2.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.40 2k4v h ASP 63 CO -0.00 0.17 0.00 0.35 -2.88 0.00 0.00 179.24 176.88 2k4v n THR 64 N -3.15 0.16 -0.26 2.25 -2.24 0.09 -4.80 114.28 106.33 2k4v n THR 64 Ca 0.03 -0.37 0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2k4v n THR 64 Cb 0.59 1.23 0.34 0.00 -2.10 0.00 0.00 70.33 70.39 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 1.74 0.00 6.98 0.00 -0.84 -1.92 119.26 125.23 2k4v h ALA 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k4v h ALA 65 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2k4v h ALA 65 CO 0.00 0.06 0.00 1.19 0.00 0.00 0.00 179.25 180.50 2k4v n PHE 66 N -4.54 0.00 1.38 0.00 3.72 -1.26 -2.02 117.46 114.74 2k4v n PHE 66 Ca 0.15 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.66 2k4v n PHE 66 Cb 0.37 0.00 0.42 0.00 -0.94 0.00 0.00 39.48 39.34 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 -0.96 1.38 0.08 4.37 3.02 -0.72 -4.34 115.26 118.09 2k4v n ASN 67 Ca 0.13 -1.63 -0.12 0.00 -0.03 0.00 0.00 54.58 52.92 2k4v n ASN 67 Cb 0.06 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 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 1.87 -0.32 -0.42 3.10 -0.00 -1.62 -2.02 116.94 117.53 2k4v h PHE 68 Ca 0.00 0.01 0.10 0.00 -0.00 0.00 0.00 57.97 58.07 2k4v h PHE 68 Cb 0.41 0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 36.47 2k4v h PHE 68 CO 0.08 -0.19 0.29 0.00 -0.00 0.00 0.00 178.31 178.49 2k4v h ALA 69 N 0.65 2.23 0.03 12.09 0.00 -1.86 0.25 119.26 132.64 2k4v h ALA 69 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k4v h ALA 69 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k4v h ALA 69 CO -0.07 -0.33 -0.01 0.77 0.00 0.00 0.00 179.25 179.60 2k4v h SER 70 N 0.12 -0.03 0.39 0.00 0.02 -1.79 -2.99 113.55 109.28 2k4v h SER 70 Ca 0.19 -0.61 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 2k4v h SER 70 Cb 0.61 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2k4v h SER 70 CO -0.02 0.62 -0.19 -0.78 -1.14 0.00 0.00 176.83 175.32 2k4v h ASP 71 N -0.71 -0.45 -0.82 3.07 1.82 -0.68 -0.92 116.42 117.73 2k4v h ASP 71 Ca -0.00 -0.12 0.20 0.00 -0.39 0.00 0.00 57.03 56.71 2k4v h ASP 71 Cb 0.64 0.12 -0.14 0.00 0.68 0.00 0.00 39.33 40.63 2k4v h ASP 71 CO 0.01 -0.10 0.06 0.00 -1.61 0.00 0.00 179.24 177.60 2k4v h ALA 72 N -0.40 0.95 -0.11 -0.78 0.00 -0.72 0.10 119.26 118.31 2k4v h ALA 72 Ca -0.05 0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2k4v h ALA 72 Cb 0.54 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k4v h ALA 72 CO 0.09 -0.45 -0.51 1.15 0.00 0.00 0.00 179.25 179.53 2k4v h THR 73 N 0.12 1.35 -0.50 0.00 2.02 -1.47 -1.22 112.91 113.20 2k4v h THR 73 Ca 0.47 -1.77 -0.11 0.00 0.77 0.00 0.00 66.41 65.78 2k4v h THR 73 Cb 0.88 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2k4v h THR 73 CO -0.70 0.53 -0.11 -0.09 0.37 0.00 0.00 175.52 175.52 2k4v h ARG 74 N 0.23 0.96 -0.06 6.66 9.65 0.28 -0.90 114.38 131.20 2k4v h ARG 74 Ca 0.01 -0.36 -0.16 0.00 -1.10 0.00 0.00 59.98 58.36 2k4v h ARG 74 Cb 0.98 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2k4v h ARG 74 CO 0.08 1.03 -0.67 0.28 2.80 0.00 0.00 179.97 183.49 2k4v h VAL 75 N 0.82 1.40 -0.13 0.20 2.07 -1.02 -2.09 116.25 117.50 2k4v h VAL 75 Ca 0.13 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.51 2k4v h VAL 75 Cb 0.67 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2k4v h VAL 75 CO 0.05 0.63 0.01 0.00 0.02 0.00 0.00 177.57 178.27 2k4v h ALA 76 N 1.11 0.18 -0.08 1.67 0.00 -0.97 -2.58 119.26 118.59 2k4v h ALA 76 Ca -0.02 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2k4v h ALA 76 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k4v h ALA 76 CO 0.11 -0.14 -0.46 -0.56 0.00 0.00 0.00 179.25 178.20 2k4v h GLN 77 N -0.03 0.18 -0.89 0.00 3.07 -1.24 -2.39 115.11 113.81 2k4v h GLN 77 Ca 0.04 -0.09 0.13 0.00 0.09 0.00 0.00 58.65 58.81 2k4v h GLN 77 Cb 0.35 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 27.82 2k4v h GLN 77 CO 0.01 0.61 0.51 -0.22 0.09 0.00 0.00 178.83 179.83 2k4v h LYS 78 N 0.15 0.76 -0.35 0.06 1.63 -1.21 -2.44 116.57 115.16 2k4v h LYS 78 Ca 0.01 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2k4v h LYS 78 Cb 0.87 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 2k4v h LYS 78 CO 0.07 0.50 0.00 0.72 -3.45 0.00 0.00 179.45 177.29 2k4v n HIS 79 N -4.76 0.47 0.00 1.91 8.25 -0.92 -4.87 115.22 115.30 2k4v n HIS 79 Ca 0.17 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2k4v n HIS 79 Cb 0.37 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.48 2k4v n HIS 79 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2k4v n GLY 80 N 1.15 0.78 2.59 -1.41 0.00 -0.93 -4.81 105.19 102.56 2k4v n GLY 80 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2k4v n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k4v n LEU 81 N 0.00 7.57 -4.55 0.99 4.32 -1.12 -4.92 117.00 119.29 2k4v n LEU 81 Ca 0.00 -4.40 -0.43 0.00 -0.02 0.00 0.00 56.01 51.16 2k4v n LEU 81 Cb 0.00 -1.56 -0.04 0.00 -1.62 0.00 0.00 43.42 40.20 2k4v n LEU 81 CO 0.00 1.58 0.80 -2.28 -1.22 0.00 0.00 177.39 176.27 2k4v s HIS 82 N 1.81 2.84 -0.48 -1.77 2.46 -1.26 -4.31 115.29 114.58 2k4v s HIS 82 Ca 0.54 0.27 -0.29 0.00 0.47 0.00 0.00 55.06 56.05 2k4v s HIS 82 Cb 0.15 -4.09 -0.10 0.00 -0.13 0.00 0.00 32.58 28.42 2k4v s HIS 82 CO -0.06 -1.24 2.37 -2.30 -2.47 0.00 0.00 174.74 171.04 2k4v n PRO 83 N 7.43 1.08 0.06 2.88 -0.02 -1.26 -4.83 135.00 140.35 2k4v n PRO 83 Ca 0.05 0.16 -0.04 0.00 -2.02 0.00 0.00 63.50 61.66 2k4v n PRO 83 Cb 0.48 -2.93 0.19 0.00 -0.02 0.00 0.00 33.50 31.22 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 16.17 0.35 0.00 -0.52 3.64 -1.94 -1.73 116.57 132.53 2k4v h LYS 84 Ca -0.25 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2k4v h LYS 84 Cb 1.28 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2k4v h LYS 84 CO 1.12 0.70 0.00 1.97 -2.27 0.00 0.00 179.45 180.97 2k4v n PHE 85 N -4.03 0.00 0.00 1.91 -1.74 -1.26 -4.95 117.46 107.39 2k4v n PHE 85 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 2k4v n PHE 85 Cb 0.49 -0.31 0.00 0.00 1.52 0.00 0.00 39.48 41.18 2k4v n PHE 85 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2k4v n GLY 86 N 1.09 1.95 1.49 4.97 0.00 -0.65 -4.94 105.19 109.10 2k4v n GLY 86 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.72 -3.49 4.61 0.00 -1.26 -4.85 120.51 114.80 2k4v n ALA 87 Ca 0.00 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 2k4v n ALA 87 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.83 0.00 0.29 0.00 -5.35 -1.26 -4.86 119.36 105.35 2k4v n ILE 88 Ca 0.06 -0.58 -0.14 0.00 -0.27 0.00 0.00 62.75 61.82 2k4v n ILE 88 Cb 0.23 0.25 -0.07 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.21 0.25 0.00 7.28 1.35 -2.05 -3.45 112.91 117.50 2k4v h THR 89 Ca -0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 2k4v h THR 89 Cb 0.29 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 2k4v h THR 89 CO 0.10 0.04 0.00 -1.14 -0.25 0.00 0.00 175.52 174.27 2k4v n ARG 90 N -5.32 0.00 -1.52 4.72 0.63 -1.26 -4.74 116.66 109.17 2k4v n ARG 90 Ca -0.11 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.66 2k4v n ARG 90 Cb 0.34 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.13 2k4v n ARG 90 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2k4v n VAL 91 N 0.00 0.01 -3.54 5.15 0.24 -1.26 -4.78 118.33 114.15 2k4v n VAL 91 Ca 0.00 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.34 62.14 2k4v n VAL 91 Cb 0.00 -2.00 -0.05 0.00 -1.47 0.00 0.00 33.84 30.32 2k4v n VAL 91 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2k4v s HIS 92 N 16.94 -0.51 -0.32 6.34 3.76 -1.26 -5.06 115.29 135.18 2k4v s HIS 92 Ca 0.81 0.67 0.16 0.00 -0.15 0.00 0.00 55.06 56.54 2k4v s HIS 92 Cb -0.04 0.38 0.51 0.00 1.11 0.00 0.00 32.58 34.55 2k4v s HIS 92 CO 0.20 -0.65 1.41 1.63 -0.85 0.00 0.00 174.74 176.48 2k4v n LYS 93 N 0.51 3.02 0.14 1.40 4.76 -1.26 -4.65 118.16 122.08 2k4v n LYS 93 Ca -0.19 -2.73 -0.01 0.00 -2.87 0.00 0.00 58.31 52.51 2k4v n LYS 93 Cb 0.60 -1.77 0.20 0.00 -1.84 0.00 0.00 35.03 32.22 2k4v n LYS 93 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2k4v h GLU 94 N 1.98 0.04 -0.22 1.97 4.39 -1.97 -1.85 114.58 118.92 2k4v h GLU 94 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k4v h GLU 94 Cb 1.35 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2k4v h GLU 94 CO 0.20 0.59 0.01 -0.92 -1.16 0.00 0.00 179.01 177.73 2k4v h TYR 95 N 0.03 0.40 -0.53 4.33 3.20 -1.98 -2.13 116.97 120.29 2k4v h TYR 95 Ca -0.00 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.83 2k4v h TYR 95 Cb 1.00 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 2k4v h TYR 95 CO 0.00 0.54 0.35 0.22 -1.64 0.00 0.00 178.16 177.63 2k4v h ASP 96 N 0.15 0.53 0.02 -2.11 3.58 -1.81 0.13 116.42 116.92 2k4v h ASP 96 Ca 0.06 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2k4v h ASP 96 Cb 0.37 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.29 2k4v h ASP 96 CO 0.01 0.37 -0.01 0.00 -2.88 0.00 0.00 179.24 176.72 2k4v h ALA 97 N 1.69 -0.03 -0.02 -0.78 0.00 -1.19 -3.06 119.26 115.88 2k4v h ALA 97 Ca 0.21 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2k4v h ALA 97 Cb 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k4v h ALA 97 CO -0.05 -0.36 -0.62 0.52 0.00 0.00 0.00 179.25 178.73 2k4v h MET 98 N -0.34 0.06 -0.26 0.00 2.86 -1.22 -3.24 114.93 112.80 2k4v h MET 98 Ca -0.00 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 2k4v h MET 98 Cb 0.32 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.92 2k4v h MET 98 CO 0.01 0.66 -0.20 0.35 1.06 0.00 0.00 176.91 178.78 2k4v h PHE 99 N 0.05 -0.53 0.00 -0.22 3.04 -0.70 -0.56 116.94 118.02 2k4v h PHE 99 Ca -0.01 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.85 2k4v h PHE 99 Cb 1.10 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 2k4v h PHE 99 CO 0.01 -0.28 -0.60 1.05 -2.02 0.00 0.00 178.31 176.46 2k4v h GLU 100 N -0.20 0.00 -0.09 1.11 4.11 -1.59 -1.48 114.58 116.44 2k4v h GLU 100 Ca 0.14 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.46 2k4v h GLU 100 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k4v h GLU 100 CO -0.37 0.60 -0.39 0.22 0.07 0.00 0.00 179.01 179.14 2k4v h ASP 101 N 0.00 0.50 -0.27 3.06 3.58 -1.43 -2.94 116.42 118.91 2k4v h ASP 101 Ca -0.01 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 56.79 2k4v h ASP 101 Cb 1.15 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 42.05 2k4v h ASP 101 CO 0.08 1.06 0.10 0.40 -2.88 0.00 0.00 179.24 178.00 2k4v h ILE 102 N -0.03 1.18 -0.18 2.25 2.04 -1.06 -0.93 117.51 120.78 2k4v h ILE 102 Ca -0.02 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.28 2k4v h ILE 102 Cb 1.04 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2k4v h ILE 102 CO 0.08 0.19 0.12 0.08 0.00 0.00 0.00 178.15 178.62 2k4v h ARG 103 N 0.29 0.20 -0.01 2.37 -0.00 -1.37 -0.04 114.38 115.82 2k4v h ARG 103 Ca 0.09 -0.01 -0.26 0.00 -0.00 0.00 0.00 59.98 59.79 2k4v h ARG 103 Cb 0.20 -0.04 0.02 0.00 -0.00 0.00 0.00 29.97 30.14 2k4v h ARG 103 CO -0.01 0.13 -1.02 0.00 -0.00 0.00 0.00 179.97 179.07 2k4v h ALA 104 N 1.89 0.15 -0.19 0.08 0.00 -1.32 -2.72 119.26 117.14 2k4v h ALA 104 Ca 0.07 -0.69 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2k4v h ALA 104 Cb 0.03 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k4v h ALA 104 CO -0.01 0.69 -0.12 -0.22 0.00 0.00 0.00 179.25 179.58 2k4v h LYS 105 N 0.41 0.31 0.00 0.00 1.63 -0.33 -0.52 116.57 118.07 2k4v h LYS 105 Ca -0.12 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 2k4v h LYS 105 Cb 1.67 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.26 2k4v h LYS 105 CO 0.20 0.44 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.53 2k4v h LEU 106 N 0.29 0.00 0.00 5.20 4.07 -1.02 -1.17 115.31 122.68 2k4v h LEU 106 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2k4v h LEU 106 Cb 0.40 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.14 2k4v h LEU 106 CO 0.02 0.04 -0.71 -0.74 -1.08 0.00 0.00 178.44 175.97 2k4v h HIS 107 N 0.00 0.00 0.00 1.13 2.76 -0.91 -3.44 115.15 114.69 2k4v h HIS 107 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2k4v h HIS 107 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2k4v h HIS 107 CO 0.00 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.63 2k4v n ALA 108 N -1.98 0.00 -3.73 5.26 0.00 -0.32 -5.07 120.51 114.68 2k4v n ALA 108 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 2k4v n ALA 108 Cb 0.49 -0.12 -0.16 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.00 0.21 0.73 0.00 3.76 -0.81 -4.96 115.29 112.21 2k4v s HIS 109 Ca 0.00 0.07 -0.15 0.00 -0.15 0.00 0.00 55.06 54.83 2k4v s HIS 109 Cb 0.00 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.34 2k4v s HIS 109 CO 0.00 -0.14 1.23 -2.14 -0.85 0.00 0.00 174.74 172.84 2k4v s PRO 110 N 1.27 2.12 -0.38 8.40 0.02 -1.26 -3.76 135.00 141.41 2k4v s PRO 110 Ca -0.06 1.84 0.11 0.00 0.02 0.00 0.00 61.00 62.91 2k4v s PRO 110 Cb -0.13 -1.82 0.33 0.00 0.02 0.00 0.00 34.50 32.90 2k4v s PRO 110 CO -0.03 -1.87 0.71 0.41 -0.33 0.00 0.00 177.00 175.89 2k4v n GLY 111 N 0.55 3.26 3.71 0.52 0.00 -1.26 -4.92 105.19 107.05 2k4v n GLY 111 Ca 0.14 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 2k4v n GLY 111 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4v n GLU 112 N 0.53 2.21 -1.58 1.61 0.00 -1.26 -3.09 120.64 119.06 2k4v n GLU 112 Ca 0.23 0.78 -0.41 0.00 0.00 0.00 0.00 57.16 57.76 2k4v n GLU 112 Cb 0.64 -2.39 -0.01 0.00 0.00 0.00 0.00 31.44 29.67 2k4v n GLU 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2k4v n PRO 113 N 0.71 3.21 -2.14 3.44 -0.04 -1.26 -4.86 135.00 134.06 2k4v n PRO 113 Ca 0.05 -2.46 -0.42 0.00 -0.04 0.00 0.00 63.50 60.62 2k4v n PRO 113 Cb 0.36 -3.09 0.00 0.00 -0.04 0.00 0.00 33.50 30.73 2k4v n PRO 113 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2k4v n VAL 114 N 4.45 3.86 -0.97 0.52 3.14 -1.26 -4.80 118.33 123.27 2k4v n VAL 114 Ca 0.62 -3.73 -0.18 0.00 -2.96 0.00 0.00 64.34 58.10 2k4v n VAL 114 Cb 0.33 -2.48 0.03 0.00 -1.06 0.00 0.00 33.84 30.65 2k4v n VAL 114 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 2k4v n ASP 115 N 5.77 6.48 0.23 6.55 5.75 -1.26 -4.60 116.55 135.47 2k4v n ASP 115 Ca 0.47 -3.09 0.06 0.00 -0.01 0.00 0.00 54.79 52.22 2k4v n ASP 115 Cb 0.40 -1.08 0.53 0.00 -1.03 0.00 0.00 41.12 39.94 2k4v n ASP 115 CO 0.00 0.00 0.00 0.17 -0.11 0.00 0.00 177.20 177.26 2k4v h LEU 116 N 2.70 0.00 -0.87 -2.12 8.10 -2.02 -2.29 115.31 118.81 2k4v h LEU 116 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.30 2k4v h LEU 116 Cb 0.89 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 2k4v h LEU 116 CO 0.78 0.16 0.00 -0.08 -4.11 0.00 0.00 178.44 175.19 2k4v h GLU 117 N 0.00 0.00 0.00 0.17 4.81 -1.95 -3.09 114.58 114.51 2k4v h GLU 117 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k4v h GLU 117 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2k4v h GLU 117 CO 0.02 0.00 0.00 -0.09 -0.73 0.00 0.00 179.01 178.21 2k4v h ARG 118 N 0.00 0.00 -0.14 1.92 9.65 -1.79 -0.62 114.38 123.40 2k4v h ARG 118 Ca 0.00 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 2k4v h ARG 118 Cb 0.65 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 2k4v h ARG 118 CO 0.00 0.00 -0.58 0.82 2.80 0.00 0.00 179.97 183.01 2k4v h ILE 119 N 0.00 1.34 -1.30 1.20 1.08 -1.72 -3.37 117.51 114.74 2k4v h ILE 119 Ca 0.00 -1.87 -0.71 0.00 -0.39 0.00 0.00 64.86 61.88 2k4v h ILE 119 Cb 0.35 1.87 -0.12 0.00 -3.07 0.00 0.00 36.82 35.85 2k4v h ILE 119 CO 0.00 0.57 1.98 -0.38 -0.69 0.00 0.00 178.15 179.63 2k4v n ILE 120 N -3.93 4.05 -0.13 -0.67 -0.00 -0.24 -3.86 119.36 114.58 2k4v n ILE 120 Ca -0.03 -4.25 0.00 0.00 -0.00 0.00 0.00 62.75 58.47 2k4v n ILE 120 Cb 0.62 -2.42 0.00 0.00 -0.00 0.00 0.00 39.64 37.84 2k4v n ILE 120 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 2k4v n ARG 121 N 6.76 1.79 -2.14 0.38 -4.01 -1.26 -5.01 116.66 113.17 2k4v n ARG 121 Ca 0.44 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.83 2k4v n ARG 121 Cb 0.43 -0.15 -0.03 0.00 -3.04 0.00 0.00 32.46 29.67 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.58 -3.04 0.00 0.00 177.63 173.01 2k4v s HIS 122 N 0.00 2.89 0.40 2.89 2.46 -1.25 -5.03 115.29 117.65 2k4v s HIS 122 Ca 0.00 0.76 -0.03 0.00 0.47 0.00 0.00 55.06 56.26 2k4v s HIS 122 Cb 0.00 -3.73 -0.04 0.00 -0.13 0.00 0.00 32.58 28.68 2k4v s HIS 122 CO 0.00 -2.73 0.67 -1.21 -2.47 0.00 0.00 174.74 169.00 2k4v s GLU 123 N 2.02 3.54 -1.34 2.88 0.41 -1.26 -4.99 118.70 119.95 2k4v s GLU 123 Ca 0.66 -0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 55.06 2k4v s GLU 123 Cb -0.35 -2.52 -0.03 0.00 -1.78 0.00 0.00 34.13 29.45 2k4v s GLU 123 CO 0.29 -0.01 2.35 0.41 -0.49 0.00 0.00 175.26 177.80 2k4v n GLY 124 N -1.89 3.96 0.62 -1.39 0.00 -1.26 -5.29 105.19 99.95 2k4v n GLY 124 Ca -0.02 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.69 2k4v n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06