#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 2.55 3.15 1.08 0.00 -0.24 -4.73 105.19 107.00 2k4v n GLY 2 Ca 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.79 -0.75 1.61 -3.43 -1.26 -3.57 115.29 107.09 2k4v s HIS 3 Ca 0.00 0.52 -0.23 0.00 -0.80 0.00 0.00 55.06 54.55 2k4v s HIS 3 Cb 0.00 0.16 0.07 0.00 -1.43 0.00 0.00 32.58 31.38 2k4v s HIS 3 CO 0.00 -0.46 1.08 -1.64 -2.00 0.00 0.00 174.74 171.72 2k4v s MET 4 N 2.93 3.26 -0.09 -0.38 -1.94 0.24 -4.92 119.30 118.40 2k4v s MET 4 Ca 0.20 -0.95 -0.05 0.00 -1.71 0.00 0.00 55.69 53.18 2k4v s MET 4 Cb -0.05 -4.45 -0.04 0.00 2.01 0.00 0.00 34.83 32.30 2k4v s MET 4 CO -0.22 -1.89 0.12 0.12 -0.01 0.00 0.00 175.02 173.14 2k4v s PHE 5 N 4.13 3.51 0.05 -0.03 5.36 -1.26 -1.30 117.98 128.43 2k4v s PHE 5 Ca 0.28 0.43 -0.07 0.00 -0.96 0.00 0.00 56.93 56.61 2k4v s PHE 5 Cb -0.12 -1.89 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 2k4v s PHE 5 CO 0.05 0.67 0.13 -1.83 -1.46 0.00 0.00 175.22 172.79 2k4v s GLU 6 N -1.22 0.66 -0.34 10.12 -1.05 -0.33 -5.02 118.70 121.53 2k4v s GLU 6 Ca 0.17 -0.78 -0.27 0.00 -0.15 0.00 0.00 54.97 53.94 2k4v s GLU 6 Cb -0.12 0.27 -0.06 0.00 -0.44 0.00 0.00 34.13 33.78 2k4v s GLU 6 CO 0.07 -0.18 2.27 -2.14 0.95 0.00 0.00 175.26 176.23 2k4v s PRO 7 N -2.89 2.70 0.00 -4.83 0.02 -1.26 -2.09 135.00 126.65 2k4v s PRO 7 Ca -0.03 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.71 2k4v s PRO 7 Cb 0.00 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 30.07 2k4v s PRO 7 CO -0.06 -2.59 0.00 0.41 -0.33 0.00 0.00 177.00 174.43 2k4v n GLY 8 N 5.85 2.31 3.35 0.52 0.00 -1.26 -5.08 105.19 110.87 2k4v n GLY 8 Ca 0.32 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.09 -0.45 0.00 1.61 5.65 -0.89 -2.50 115.29 116.62 2k4v s HIS 9 Ca 0.00 0.98 0.04 0.00 0.25 0.00 0.00 55.06 56.34 2k4v s HIS 9 Cb 0.00 0.19 -0.01 0.00 -1.18 0.00 0.00 32.58 31.57 2k4v s HIS 9 CO 0.00 -0.33 -0.14 -1.17 -0.65 0.00 0.00 174.74 172.45 2k4v s LEU 10 N -0.35 2.06 -0.12 8.88 2.96 -0.06 -1.18 118.68 130.87 2k4v s LEU 10 Ca -0.05 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2k4v s LEU 10 Cb -0.03 -0.70 0.02 0.00 0.50 0.00 0.00 46.19 45.98 2k4v s LEU 10 CO 0.03 0.14 -0.11 -2.28 -1.32 0.00 0.00 176.35 172.82 2k4v s HIS 11 N -0.44 1.73 -0.21 5.38 5.65 -0.42 -0.92 115.29 126.07 2k4v s HIS 11 Ca 0.05 -0.89 -0.10 0.00 0.25 0.00 0.00 55.06 54.37 2k4v s HIS 11 Cb -0.06 -1.35 -0.05 0.00 -1.18 0.00 0.00 32.58 29.94 2k4v s HIS 11 CO -0.00 -0.54 0.13 -0.51 -0.65 0.00 0.00 174.74 173.16 2k4v s LEU 12 N 1.50 4.13 0.04 8.88 1.43 -0.28 -0.59 118.68 133.80 2k4v s LEU 12 Ca 0.03 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 2k4v s LEU 12 Cb -0.13 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2k4v s LEU 12 CO -0.08 0.15 -0.06 -0.69 0.23 0.00 0.00 176.35 175.90 2k4v s VAL 13 N 0.51 0.44 -0.35 -1.59 1.01 -1.23 -1.07 120.40 118.13 2k4v s VAL 13 Ca 0.07 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.68 2k4v s VAL 13 Cb -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.63 2k4v s VAL 13 CO -0.00 -0.47 0.83 -0.55 0.00 0.00 0.00 175.10 174.90 2k4v s SER 14 N -1.71 6.63 0.39 3.32 0.15 -1.17 -1.07 113.70 120.23 2k4v s SER 14 Ca -0.09 0.52 -0.25 0.00 0.70 0.00 0.00 55.95 56.83 2k4v s SER 14 Cb -0.08 -2.42 -0.09 0.00 -1.71 0.00 0.00 66.02 61.72 2k4v s SER 14 CO -0.01 -0.73 1.15 -1.48 1.20 0.00 0.00 173.24 173.37 2k4v s LEU 15 N 3.16 4.21 -0.01 3.45 0.05 -1.26 -4.73 118.68 123.54 2k4v s LEU 15 Ca 0.34 2.30 -0.30 0.00 0.05 0.00 0.00 54.13 56.51 2k4v s LEU 15 Cb -0.13 -4.02 -0.06 0.00 -2.05 0.00 0.00 46.19 39.93 2k4v s LEU 15 CO 0.16 -0.61 1.56 -2.16 -0.55 0.00 0.00 176.35 174.74 2k4v s PRO 16 N -2.27 4.22 0.00 1.48 0.04 -1.26 -3.84 135.00 133.37 2k4v s PRO 16 Ca 0.56 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2k4v s PRO 16 Cb -0.29 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2k4v s PRO 16 CO 0.37 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2k4v n GLY 17 N 3.92 2.16 0.12 0.56 0.00 -1.26 -4.90 105.19 105.80 2k4v n GLY 17 Ca 0.15 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2k4v n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k4v h LEU 18 N 0.00 0.33 0.00 0.99 3.38 -2.01 -3.47 115.31 114.53 2k4v h LEU 18 Ca 0.00 -0.53 -0.37 0.00 0.09 0.00 0.00 57.88 57.07 2k4v h LEU 18 Cb 0.00 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 40.56 2k4v h LEU 18 CO 0.00 0.79 -0.36 0.47 0.09 0.00 0.00 178.44 179.43 2k4v n ASP 19 N -4.56 -0.57 -3.15 -0.43 8.00 -1.25 -5.14 116.55 109.45 2k4v n ASP 19 Ca -0.07 -2.72 0.05 0.00 0.71 0.00 0.00 54.79 52.75 2k4v n ASP 19 Cb 0.38 1.33 -0.01 0.00 -0.02 0.00 0.00 41.12 42.81 2k4v n ASP 19 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2k4v s GLN 20 N -3.06 0.39 0.21 -1.24 2.00 -1.26 -4.13 119.66 112.57 2k4v s GLN 20 Ca 0.31 0.53 -0.20 0.00 -2.00 0.00 0.00 55.36 54.00 2k4v s GLN 20 Cb 0.01 0.27 0.04 0.00 0.80 0.00 0.00 33.01 34.14 2k4v s GLN 20 CO 0.22 -0.58 0.61 1.14 -0.50 0.00 0.00 175.29 176.18 2k4v s GLN 21 N 2.89 1.49 -0.75 1.67 -2.07 -1.26 -5.07 119.66 116.56 2k4v s GLN 21 Ca 0.14 -0.80 -0.05 0.00 -1.82 0.00 0.00 55.36 52.84 2k4v s GLN 21 Cb -0.10 0.57 0.07 0.00 -1.09 0.00 0.00 33.01 32.46 2k4v s GLN 21 CO -0.21 -0.66 2.68 -3.47 -1.32 0.00 0.00 175.29 172.31 2k4v n ASP 22 N -0.39 7.00 -4.58 12.60 2.03 -1.26 -4.32 116.55 127.62 2k4v n ASP 22 Ca -0.10 -3.14 -0.41 0.00 0.52 0.00 0.00 54.79 51.65 2k4v n ASP 22 Cb 0.62 -1.29 -0.07 0.00 -0.72 0.00 0.00 41.12 39.66 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 -1.67 4.91 -0.20 5.18 -5.25 -1.26 -1.02 121.20 121.89 2k4v s ILE 23 Ca 0.58 0.72 -0.04 0.00 -0.99 0.00 0.00 60.65 60.92 2k4v s ILE 23 Cb 0.31 -4.04 0.07 0.00 2.95 0.00 0.00 42.46 41.75 2k4v s ILE 23 CO -0.17 -0.23 0.09 0.20 -1.79 0.00 0.00 174.94 173.05 2k4v s ASN 24 N 1.72 2.68 -0.03 4.36 0.01 -0.62 -3.05 114.94 120.00 2k4v s ASN 24 Ca 0.25 -0.79 0.02 0.00 -0.71 0.00 0.00 52.86 51.63 2k4v s ASN 24 Cb -0.15 -0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.20 2k4v s ASN 24 CO 0.13 -0.36 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.66 2k4v s ILE 25 N 2.09 0.67 -0.33 0.60 1.01 -0.23 -1.43 121.20 123.58 2k4v s ILE 25 Ca 0.03 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2k4v s ILE 25 Cb -0.16 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2k4v s ILE 25 CO -0.15 0.23 0.16 -1.00 0.00 0.00 0.00 174.94 174.19 2k4v s HIS 26 N 0.47 3.20 -0.34 3.97 3.76 0.13 -1.13 115.29 125.35 2k4v s HIS 26 Ca -0.07 -0.74 -0.04 0.00 -0.15 0.00 0.00 55.06 54.07 2k4v s HIS 26 Cb -0.11 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.27 2k4v s HIS 26 CO 0.01 -0.53 0.08 0.42 -0.85 0.00 0.00 174.74 173.87 2k4v s ILE 27 N 1.58 3.34 -0.39 0.60 1.01 -0.10 -2.17 121.20 125.08 2k4v s ILE 27 Ca 0.04 -1.44 -0.13 0.00 0.00 0.00 0.00 60.65 59.11 2k4v s ILE 27 Cb -0.18 -2.99 0.02 0.00 0.01 0.00 0.00 42.46 39.33 2k4v s ILE 27 CO 0.06 -0.26 0.25 -0.60 0.00 0.00 0.00 174.94 174.38 2k4v s ARG 28 N 1.28 2.89 -0.19 2.79 3.52 0.02 -0.88 118.95 128.38 2k4v s ARG 28 Ca -0.01 -1.05 -0.03 0.00 -0.13 0.00 0.00 55.73 54.50 2k4v s ARG 28 Cb -0.20 -3.84 -0.01 0.00 -1.56 0.00 0.00 34.95 29.33 2k4v s ARG 28 CO -0.00 -0.72 -0.05 1.52 -0.81 0.00 0.00 175.30 175.23 2k4v s TYR 29 N 1.61 2.95 -0.23 5.12 1.13 -1.04 -1.17 117.35 125.71 2k4v s TYR 29 Ca 0.03 -0.75 0.01 0.00 -1.41 0.00 0.00 57.07 54.96 2k4v s TYR 29 Cb -0.19 -2.04 0.04 0.00 -1.10 0.00 0.00 41.96 38.67 2k4v s TYR 29 CO 0.08 -0.39 -0.12 -1.21 -2.51 0.00 0.00 175.55 171.40 2k4v s GLU 30 N 1.08 2.63 -0.26 -3.49 2.02 -0.51 -4.53 118.70 115.63 2k4v s GLU 30 Ca 0.01 -1.09 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 2k4v s GLU 30 Cb -0.15 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.27 2k4v s GLU 30 CO -0.00 -0.42 1.18 0.08 0.02 0.00 0.00 175.26 176.12 2k4v s VAL 31 N 1.22 4.38 0.05 2.63 1.01 -1.26 -1.44 120.40 126.98 2k4v s VAL 31 Ca -0.02 1.61 -0.01 0.00 0.00 0.00 0.00 61.98 63.55 2k4v s VAL 31 Cb -0.17 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2k4v s VAL 31 CO -0.07 -0.35 -0.02 -0.60 0.00 0.00 0.00 175.10 174.06 2k4v s ARG 32 N 3.70 0.62 -0.29 2.72 3.52 -0.69 -5.03 118.95 123.50 2k4v s ARG 32 Ca 0.50 -1.20 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 2k4v s ARG 32 Cb -0.16 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2k4v s ARG 32 CO 0.16 -0.12 0.05 -0.65 -0.81 0.00 0.00 175.30 173.93 2k4v s GLN 33 N -3.88 2.88 0.12 5.12 -1.52 -1.26 -1.34 119.66 119.78 2k4v s GLN 33 Ca 0.07 -0.99 -0.06 0.00 -1.95 0.00 0.00 55.36 52.43 2k4v s GLN 33 Cb 0.08 -3.29 -0.05 0.00 -0.22 0.00 0.00 33.01 29.52 2k4v s GLN 33 CO -0.10 -0.49 0.37 0.54 -0.25 0.00 0.00 175.29 175.35 2k4v s ASN 34 N 1.42 6.51 0.52 5.90 6.03 0.74 -4.98 114.94 131.07 2k4v s ASN 34 Ca 0.00 0.61 0.33 0.00 -1.03 0.00 0.00 52.86 52.77 2k4v s ASN 34 Cb -0.18 -2.10 1.32 0.00 -3.03 0.00 0.00 41.25 37.27 2k4v s ASN 34 CO 0.01 0.09 1.95 0.00 -2.03 0.00 0.00 177.10 177.12 2k4v h ALA 35 N 3.06 1.00 -0.16 3.54 0.00 -2.00 -0.04 119.26 124.66 2k4v h ALA 35 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 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 0.71 0.00 -0.27 1.49 0.00 0.00 0.00 179.25 181.19 2k4v h GLU 36 N 0.00 0.46 0.00 0.00 4.81 -2.01 -3.39 114.58 114.45 2k4v h GLU 36 Ca 0.00 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2k4v h GLU 36 Cb 0.49 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2k4v h GLU 36 CO 0.00 0.88 0.00 0.45 -0.73 0.00 0.00 179.01 179.61 2k4v n SER 37 N -4.41 0.37 0.00 1.04 2.88 -1.23 -5.11 113.62 107.16 2k4v n SER 37 Ca -0.06 -1.06 0.00 0.00 -1.33 0.00 0.00 58.87 56.42 2k4v n SER 37 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 1.72 3.77 0.46 0.00 -0.03 -4.80 105.19 106.28 2k4v n GLY 38 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.66 3.21 0.31 4.61 0.00 -1.26 -0.19 121.76 126.78 2k4v s ALA 39 Ca 0.00 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.54 2k4v s ALA 39 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 2k4v s ALA 39 CO 0.00 -0.18 0.75 1.52 0.00 0.00 0.00 175.76 177.85 2k4v s TYR 40 N -1.45 -0.09 -0.05 0.00 1.13 -0.45 -1.54 117.35 114.89 2k4v s TYR 40 Ca 0.52 -0.43 0.02 0.00 -1.41 0.00 0.00 57.07 55.77 2k4v s TYR 40 Cb -0.26 0.75 0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2k4v s TYR 40 CO 0.33 -1.33 -0.09 0.08 -2.51 0.00 0.00 175.55 172.03 2k4v s VAL 41 N -3.39 0.89 -0.32 -3.49 1.01 -0.80 -1.70 120.40 112.61 2k4v s VAL 41 Ca 0.13 -0.34 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 2k4v s VAL 41 Cb -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2k4v s VAL 41 CO 0.08 0.30 0.71 -2.28 0.00 0.00 0.00 175.10 173.91 2k4v s HIS 42 N 0.72 3.18 -0.38 5.22 2.46 -0.52 -2.40 115.29 123.57 2k4v s HIS 42 Ca -0.13 0.62 -0.12 0.00 0.47 0.00 0.00 55.06 55.90 2k4v s HIS 42 Cb -0.15 -3.15 0.02 0.00 -0.13 0.00 0.00 32.58 29.17 2k4v s HIS 42 CO 0.02 -0.57 0.22 -0.06 -2.47 0.00 0.00 174.74 171.89 2k4v s PHE 43 N 2.82 3.24 -0.10 3.88 0.08 -0.56 -1.43 117.98 125.91 2k4v s PHE 43 Ca 0.28 -0.88 -0.03 0.00 0.12 0.00 0.00 56.93 56.43 2k4v s PHE 43 Cb -0.14 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.81 2k4v s PHE 43 CO 0.13 -0.63 0.04 0.34 -0.10 0.00 0.00 175.22 175.00 2k4v s ASP 44 N 1.58 5.53 -0.02 1.36 2.15 -0.32 -1.06 116.67 125.89 2k4v s ASP 44 Ca 0.03 0.22 -0.02 0.00 0.43 0.00 0.00 52.55 53.21 2k4v s ASP 44 Cb -0.19 -1.64 0.01 0.00 -0.30 0.00 0.00 42.92 40.80 2k4v s ASP 44 CO 0.07 0.38 0.06 -0.04 -0.17 0.00 0.00 175.17 175.47 2k4v s MET 45 N -0.88 0.08 0.04 4.34 -1.94 -0.26 -0.80 119.30 119.87 2k4v s MET 45 Ca 0.13 0.07 -0.27 0.00 -1.71 0.00 0.00 55.69 53.92 2k4v s MET 45 Cb -0.12 0.04 0.09 0.00 2.01 0.00 0.00 34.83 36.85 2k4v s MET 45 CO 0.03 -0.01 0.77 0.16 -0.01 0.00 0.00 175.02 175.96 2k4v s ASP 46 N 0.00 -0.46 0.00 3.03 -4.77 -0.92 -1.32 116.67 112.23 2k4v s ASP 46 Ca -0.00 0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.33 2k4v s ASP 46 Cb -0.01 0.47 0.00 0.00 -1.09 0.00 0.00 42.92 42.29 2k4v s ASP 46 CO 0.00 -0.73 0.00 0.61 0.70 0.00 0.00 175.17 175.75 2k4v n GLY 47 N -0.15 -0.21 3.38 2.12 0.00 -0.52 -0.70 105.19 109.12 2k4v n GLY 47 Ca -0.13 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 1.19 -0.29 1.61 -1.05 -0.51 -2.27 118.70 117.38 2k4v s GLU 48 Ca 0.00 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 2k4v s GLU 48 Cb 0.00 0.53 0.18 0.00 -0.44 0.00 0.00 34.13 34.40 2k4v s GLU 48 CO 0.00 -0.50 0.55 0.42 0.95 0.00 0.00 175.26 176.68 2k4v s ILE 49 N -3.78 -0.91 -1.31 1.83 1.01 -0.20 -1.59 121.20 116.25 2k4v s ILE 49 Ca 0.02 -0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2k4v s ILE 49 Cb 0.00 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2k4v s ILE 49 CO -0.12 -0.04 1.14 -0.67 0.00 0.00 0.00 174.94 175.25 2k4v n ASP 50 N 5.41 -5.44 0.00 3.58 2.03 -0.19 -2.48 116.55 119.46 2k4v n ASP 50 Ca -0.00 -0.55 0.00 0.00 0.52 0.00 0.00 54.79 54.76 2k4v n ASP 50 Cb 0.51 -5.00 0.00 0.00 -0.72 0.00 0.00 41.12 35.91 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 -1.82 2.61 3.66 0.27 0.00 -1.25 -4.99 105.19 103.67 2k4v n GLY 51 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.01 4.26 0.61 1.61 1.02 -1.03 -4.90 119.74 121.29 2k4v s LYS 52 Ca 0.00 1.15 -0.17 0.00 0.02 0.00 0.00 55.97 56.97 2k4v s LYS 52 Cb 0.00 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 2k4v s LYS 52 CO 0.00 -0.49 1.14 -1.25 -0.92 0.00 0.00 175.35 173.83 2k4v s PRO 53 N 2.72 2.97 -0.04 -1.68 0.04 -1.26 -1.03 135.00 136.72 2k4v s PRO 53 Ca 0.40 1.58 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 2k4v s PRO 53 Cb -0.16 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.44 2k4v s PRO 53 CO 0.09 -1.15 0.23 -0.59 0.04 0.00 0.00 177.00 175.62 2k4v s PHE 54 N -1.97 -0.14 -0.09 0.56 -0.71 -0.96 -4.90 117.98 109.78 2k4v s PHE 54 Ca 0.72 0.27 -0.03 0.00 -1.04 0.00 0.00 56.93 56.85 2k4v s PHE 54 Cb -0.24 0.05 0.05 0.00 -1.21 0.00 0.00 43.02 41.66 2k4v s PHE 54 CO 0.35 -0.26 0.14 -1.12 -1.34 0.00 0.00 175.22 172.99 2k4v s SER 55 N -0.82 0.95 0.05 1.98 0.01 -1.26 -1.44 113.70 113.16 2k4v s SER 55 Ca -0.09 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.22 2k4v s SER 55 Cb -0.05 0.17 0.03 0.00 0.21 0.00 0.00 66.02 66.38 2k4v s SER 55 CO 0.02 -0.26 0.35 -0.62 0.41 0.00 0.00 173.24 173.14 2k4v s ASP 56 N 2.26 -0.19 -0.04 2.44 2.15 -0.43 -5.02 116.67 117.85 2k4v s ASP 56 Ca 0.04 -0.12 -0.08 0.00 0.43 0.00 0.00 52.55 52.81 2k4v s ASP 56 Cb -0.12 0.39 0.01 0.00 -0.30 0.00 0.00 42.92 42.89 2k4v s ASP 56 CO -0.06 -0.64 0.19 -0.94 -0.17 0.00 0.00 175.17 173.55 2k4v s SER 57 N -2.05 -0.12 -0.01 -0.34 1.04 -1.26 -1.10 113.70 109.85 2k4v s SER 57 Ca -0.05 0.14 0.01 0.00 0.48 0.00 0.00 55.95 56.53 2k4v s SER 57 Cb -0.01 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2k4v s SER 57 CO -0.03 -0.23 -0.03 0.72 0.98 0.00 0.00 173.24 174.65 2k4v s PHE 58 N -0.62 0.41 -0.18 5.02 -0.71 -0.22 -5.01 117.98 116.66 2k4v s PHE 58 Ca -0.07 -0.07 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 2k4v s PHE 58 Cb -0.04 -0.32 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 2k4v s PHE 58 CO 0.01 -0.05 -0.08 -1.21 -1.34 0.00 0.00 175.22 172.55 2k4v s GLU 59 N 0.22 3.39 -0.12 1.99 8.01 -1.26 -1.50 118.70 129.42 2k4v s GLU 59 Ca -0.02 -0.65 0.02 0.00 0.01 0.00 0.00 54.97 54.34 2k4v s GLU 59 Cb -0.05 -2.84 -0.00 0.00 -4.31 0.00 0.00 34.13 26.93 2k4v s GLU 59 CO -0.00 -0.01 -0.20 -0.51 0.01 0.00 0.00 175.26 174.54 2k4v s LEU 60 N 0.95 2.28 0.89 1.80 1.43 -1.01 -5.01 118.68 120.01 2k4v s LEU 60 Ca -0.01 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2k4v s LEU 60 Cb -0.15 -1.48 0.13 0.00 0.03 0.00 0.00 46.19 44.73 2k4v s LEU 60 CO -0.00 0.14 1.16 -2.16 0.23 0.00 0.00 176.35 175.72 2k4v s PRO 61 N 0.44 1.13 0.35 1.29 0.04 -1.26 -1.90 135.00 135.09 2k4v s PRO 61 Ca -0.14 1.59 0.17 0.00 0.04 0.00 0.00 61.00 62.66 2k4v s PRO 61 Cb -0.17 -1.74 1.20 0.00 0.04 0.00 0.00 34.50 33.84 2k4v s PRO 61 CO 0.06 -2.56 1.63 0.07 0.04 0.00 0.00 177.00 176.24 2k4v h ARG 62 N -1.70 0.17 0.00 4.56 0.11 -1.59 0.36 114.38 116.29 2k4v h ARG 62 Ca -0.44 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2k4v h ARG 62 Cb 1.27 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2k4v h ARG 62 CO 0.42 0.12 0.00 -0.44 0.10 0.00 0.00 179.97 180.17 2k4v h ASP 63 N 0.18 0.00 0.00 0.08 5.19 -1.91 -3.25 116.42 116.70 2k4v h ASP 63 Ca 0.79 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.20 2k4v h ASP 63 Cb 1.93 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.44 2k4v h ASP 63 CO -0.68 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 175.79 2k4v n THR 64 N -2.32 0.18 0.17 0.35 -2.24 -0.24 -4.83 114.28 105.35 2k4v n THR 64 Ca 0.04 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.58 2k4v n THR 64 Cb 0.33 1.24 0.50 0.00 -2.10 0.00 0.00 70.33 70.30 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 -0.40 -1.93 119.26 125.65 2k4v h ALA 65 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k4v h ALA 65 Cb 0.53 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k4v h ALA 65 CO 0.00 0.20 -0.12 0.74 0.00 0.00 0.00 179.25 180.07 2k4v h PHE 66 N 0.14 0.00 0.00 0.00 0.04 -1.85 -3.07 116.94 112.20 2k4v h PHE 66 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2k4v h PHE 66 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2k4v h PHE 66 CO 0.00 0.12 0.00 0.09 -0.60 0.00 0.00 178.31 177.92 2k4v n ASN 67 N -3.58 0.00 0.22 2.17 3.02 -0.73 -3.38 115.26 112.98 2k4v n ASN 67 Ca -0.02 -0.45 0.15 0.00 -0.03 0.00 0.00 54.58 54.23 2k4v n ASN 67 Cb 0.25 -0.10 0.59 0.00 -0.61 0.00 0.00 39.78 39.90 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 0.00 0.00 -0.08 3.10 -0.00 -1.73 -2.85 116.94 115.38 2k4v h PHE 68 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.83 2k4v h PHE 68 Cb 0.07 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.03 2k4v h PHE 68 CO 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 178.31 177.79 2k4v h ALA 69 N 2.11 0.17 0.01 12.09 0.00 -1.85 0.77 119.26 132.56 2k4v h ALA 69 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 2k4v h ALA 69 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k4v h ALA 69 CO 0.00 0.37 -0.96 0.66 0.00 0.00 0.00 179.25 179.32 2k4v h SER 70 N 0.06 0.53 0.32 0.00 4.64 -1.85 -3.34 113.55 113.91 2k4v h SER 70 Ca -0.04 -0.43 -0.02 0.00 -0.47 0.00 0.00 61.79 60.83 2k4v h SER 70 Cb 1.17 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2k4v h SER 70 CO 0.11 1.23 -0.15 -0.78 -0.87 0.00 0.00 176.83 176.37 2k4v h ASP 71 N 0.22 -0.36 -0.85 4.97 3.58 -1.27 -1.72 116.42 120.99 2k4v h ASP 71 Ca -0.08 -0.15 0.19 0.00 0.42 0.00 0.00 57.03 57.41 2k4v h ASP 71 Cb 1.60 0.09 -0.11 0.00 1.72 0.00 0.00 39.33 42.63 2k4v h ASP 71 CO 0.17 0.10 0.36 0.00 -2.88 0.00 0.00 179.24 176.98 2k4v h ALA 72 N -0.70 1.29 -0.24 -0.78 0.00 -1.06 -0.45 119.26 117.31 2k4v h ALA 72 Ca -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2k4v h ALA 72 Cb 0.49 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k4v h ALA 72 CO 0.07 -0.28 0.06 1.15 0.00 0.00 0.00 179.25 180.26 2k4v h THR 73 N 0.43 1.21 -0.71 0.00 2.02 -1.68 -2.96 112.91 111.21 2k4v h THR 73 Ca 0.50 -0.67 0.11 0.00 0.77 0.00 0.00 66.41 67.12 2k4v h THR 73 Cb 0.88 1.19 -0.08 0.00 -1.74 0.00 0.00 68.15 68.40 2k4v h THR 73 CO -0.48 0.22 0.33 -0.09 0.37 0.00 0.00 175.52 175.87 2k4v h ARG 74 N 0.22 0.53 -0.85 6.66 2.43 -0.27 -0.43 114.38 122.67 2k4v h ARG 74 Ca 0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k4v h ARG 74 Cb 0.27 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2k4v h ARG 74 CO -0.00 0.35 0.51 0.28 -1.51 0.00 0.00 179.97 179.61 2k4v h VAL 75 N 0.55 1.23 -0.30 0.20 2.07 -1.02 -0.19 116.25 118.79 2k4v h VAL 75 Ca 0.36 -0.50 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 2k4v h VAL 75 Cb 0.44 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2k4v h VAL 75 CO -0.31 0.24 -0.35 0.00 0.02 0.00 0.00 177.57 177.17 2k4v h ALA 76 N 1.40 0.45 -0.39 1.67 0.00 -1.26 -3.13 119.26 117.99 2k4v h ALA 76 Ca 0.31 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k4v h ALA 76 Cb -0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k4v h ALA 76 CO -0.06 0.52 0.23 1.96 0.00 0.00 0.00 179.25 181.90 2k4v h GLN 77 N 0.54 0.53 -0.62 0.00 4.20 -0.36 -0.40 115.11 119.00 2k4v h GLN 77 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2k4v h GLN 77 Cb 0.94 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.58 2k4v h GLN 77 CO 0.09 0.38 0.32 0.87 -0.67 0.00 0.00 178.83 179.81 2k4v h LYS 78 N 0.54 0.86 0.05 1.46 1.57 -1.00 -3.13 116.57 116.91 2k4v h LYS 78 Ca 0.14 -0.10 -0.30 0.00 -1.87 0.00 0.00 60.65 58.53 2k4v h LYS 78 Cb -0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2k4v h LYS 78 CO -0.03 0.65 -1.63 1.25 -0.57 0.00 0.00 179.45 179.12 2k4v h HIS 79 N 0.86 0.20 0.00 -1.35 2.76 -1.34 -3.47 115.15 112.81 2k4v h HIS 79 Ca 0.22 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k4v h HIS 79 Cb 0.05 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2k4v h HIS 79 CO 0.01 1.23 0.00 0.41 -1.30 0.00 0.00 177.93 178.28 2k4v n GLY 80 N 1.64 0.00 3.73 5.26 0.00 -0.24 -5.00 105.19 110.57 2k4v n GLY 80 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 4.41 0.18 0.99 1.98 -0.73 -4.91 118.68 120.60 2k4v s LEU 81 Ca 0.00 1.51 -0.32 0.00 -2.89 0.00 0.00 54.13 52.44 2k4v s LEU 81 Cb 0.00 -3.35 -0.11 0.00 0.66 0.00 0.00 46.19 43.38 2k4v s LEU 81 CO 0.00 -0.10 1.70 -2.28 -1.89 0.00 0.00 176.35 173.78 2k4v s HIS 82 N 0.40 2.83 -0.78 5.38 5.65 -1.26 -4.31 115.29 123.20 2k4v s HIS 82 Ca 0.43 0.36 -0.26 0.00 0.25 0.00 0.00 55.06 55.84 2k4v s HIS 82 Cb -0.21 -4.09 -0.14 0.00 -1.18 0.00 0.00 32.58 26.96 2k4v s HIS 82 CO 0.25 -4.18 2.42 -2.14 -0.65 0.00 0.00 174.74 170.43 2k4v s PRO 83 N 1.41 1.60 0.56 2.88 0.02 -1.26 -4.80 135.00 135.41 2k4v s PRO 83 Ca 0.75 0.53 0.24 0.00 0.02 0.00 0.00 61.00 62.54 2k4v s PRO 83 Cb -0.48 -4.77 1.52 0.00 0.02 0.00 0.00 34.50 30.79 2k4v s PRO 83 CO 0.32 -4.43 2.13 -0.22 -0.33 0.00 0.00 177.00 174.47 2k4v h LYS 84 N 12.99 0.00 -0.11 5.54 3.64 -2.01 -2.75 116.57 133.87 2k4v h LYS 84 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2k4v h LYS 84 Cb 1.01 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 2k4v h LYS 84 CO 1.01 0.00 -0.16 0.35 -2.27 0.00 0.00 179.45 178.38 2k4v h PHE 85 N 0.00 -0.40 0.00 1.91 3.57 -2.01 -3.46 116.94 116.55 2k4v h PHE 85 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2k4v h PHE 85 Cb 0.33 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2k4v h PHE 85 CO 0.00 -0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.26 2k4v n GLY 86 N -1.30 0.47 3.17 2.40 0.00 -1.04 -3.99 105.19 104.90 2k4v n GLY 86 Ca -0.03 0.60 0.03 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.00 -2.37 -0.19 4.61 0.00 -1.26 -5.15 121.76 116.39 2k4v s ALA 87 Ca 0.00 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 2k4v s ALA 87 Cb 0.00 -2.61 0.07 0.00 0.00 0.00 0.00 23.12 20.59 2k4v s ALA 87 CO 0.00 -1.97 0.44 -1.50 0.00 0.00 0.00 175.76 172.72 2k4v s ILE 88 N 2.47 -0.28 -0.08 0.00 2.07 -1.26 -5.04 121.20 119.07 2k4v s ILE 88 Ca 0.12 0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.52 2k4v s ILE 88 Cb -0.08 -0.66 -0.24 0.00 0.13 0.00 0.00 42.46 41.61 2k4v s ILE 88 CO -0.19 0.05 0.50 0.35 -1.91 0.00 0.00 174.94 173.74 2k4v n THR 89 N 4.72 1.67 -2.00 4.00 -2.24 -1.26 -4.63 114.28 114.54 2k4v n THR 89 Ca -0.17 -0.74 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 2k4v n THR 89 Cb 0.53 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.45 2k4v n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k4v n ARG 90 N -3.22 3.11 -3.64 -0.78 5.12 -1.26 -4.96 116.66 111.03 2k4v n ARG 90 Ca -0.24 -2.95 -0.37 0.00 -1.93 0.00 0.00 57.85 52.36 2k4v n ARG 90 Cb 1.05 -3.19 -0.06 0.00 -1.16 0.00 0.00 32.46 29.10 2k4v n ARG 90 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2k4v s VAL 91 N 2.42 5.19 0.25 1.55 -7.23 -1.26 -5.10 120.40 116.21 2k4v s VAL 91 Ca 0.45 0.51 -0.16 0.00 -1.81 0.00 0.00 61.98 60.97 2k4v s VAL 91 Cb 0.11 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.37 2k4v s VAL 91 CO -0.05 0.49 0.68 -2.28 -0.31 0.00 0.00 175.10 173.64 2k4v s HIS 92 N -1.17 3.52 -1.12 2.82 2.46 -1.26 -4.99 115.29 115.55 2k4v s HIS 92 Ca 0.24 1.22 -0.22 0.00 0.47 0.00 0.00 55.06 56.78 2k4v s HIS 92 Cb -0.15 -2.51 0.02 0.00 -0.13 0.00 0.00 32.58 29.81 2k4v s HIS 92 CO 0.13 0.26 1.72 0.15 -2.47 0.00 0.00 174.74 174.52 2k4v s LYS 93 N -2.41 3.35 -0.14 2.88 1.02 -1.26 -4.71 119.74 118.47 2k4v s LYS 93 Ca 0.47 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.95 2k4v s LYS 93 Cb -0.14 -5.35 -0.20 0.00 -0.52 0.00 0.00 37.83 31.62 2k4v s LYS 93 CO 0.19 -2.75 0.56 0.93 -0.92 0.00 0.00 175.35 173.36 2k4v h GLU 94 N 9.29 0.00 -0.24 1.68 4.39 -2.00 -3.30 114.58 124.40 2k4v h GLU 94 Ca 0.27 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.99 2k4v h GLU 94 Cb 0.95 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2k4v h GLU 94 CO 1.37 0.79 0.07 -0.92 -1.16 0.00 0.00 179.01 179.16 2k4v h TYR 95 N -1.00 0.13 -0.82 4.33 3.20 -1.99 -2.39 116.97 118.43 2k4v h TYR 95 Ca -0.03 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.88 2k4v h TYR 95 Cb 0.83 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.03 2k4v h TYR 95 CO 0.20 0.06 0.54 0.22 -1.64 0.00 0.00 178.16 177.54 2k4v h ASP 96 N 0.18 0.90 -0.01 -2.11 3.58 -1.95 0.91 116.42 117.92 2k4v h ASP 96 Ca 0.10 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2k4v h ASP 96 Cb 0.08 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2k4v h ASP 96 CO -0.11 0.63 -0.11 0.00 -2.88 0.00 0.00 179.24 176.76 2k4v h ALA 97 N 1.51 0.02 -0.17 -0.78 0.00 -1.59 -3.00 119.26 115.25 2k4v h ALA 97 Ca 0.32 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2k4v h ALA 97 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k4v h ALA 97 CO -0.09 -0.03 -0.19 1.98 0.00 0.00 0.00 179.25 180.93 2k4v h MET 98 N -0.60 0.29 -0.71 0.00 1.85 -1.37 -1.71 114.93 112.69 2k4v h MET 98 Ca -0.01 -0.08 0.14 0.00 -0.61 0.00 0.00 59.70 59.14 2k4v h MET 98 Cb 0.84 -0.03 -0.10 0.00 0.43 0.00 0.00 31.60 32.74 2k4v h MET 98 CO 0.02 0.48 0.19 0.35 -0.40 0.00 0.00 176.91 177.55 2k4v h PHE 99 N 0.27 0.30 0.00 1.39 3.04 -0.87 -0.86 116.94 120.22 2k4v h PHE 99 Ca 0.05 0.04 -0.13 0.00 3.98 0.00 0.00 57.97 61.91 2k4v h PHE 99 Cb 0.49 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 2k4v h PHE 99 CO 0.01 -0.04 -0.61 0.93 -2.02 0.00 0.00 178.31 176.57 2k4v h GLU 100 N 0.30 0.00 0.31 1.11 4.39 -1.19 -1.68 114.58 117.82 2k4v h GLU 100 Ca 0.39 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.07 2k4v h GLU 100 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2k4v h GLU 100 CO -0.46 0.61 -0.15 0.22 -1.16 0.00 0.00 179.01 178.07 2k4v h ASP 101 N 0.00 -0.35 -0.81 1.42 3.58 -0.74 -2.73 116.42 116.78 2k4v h ASP 101 Ca -0.01 -0.19 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2k4v h ASP 101 Cb 1.22 0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 2k4v h ASP 101 CO 0.08 0.06 0.53 0.40 -2.88 0.00 0.00 179.24 177.43 2k4v h ILE 102 N -0.84 1.17 -0.10 2.25 2.04 -1.22 -0.99 117.51 119.81 2k4v h ILE 102 Ca -0.04 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 2k4v h ILE 102 Cb 0.52 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 2k4v h ILE 102 CO 0.07 0.19 -0.11 0.08 0.00 0.00 0.00 178.15 178.38 2k4v h ARG 103 N 1.06 0.15 0.06 2.37 -0.00 -1.38 -0.83 114.38 115.81 2k4v h ARG 103 Ca 0.31 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 60.26 2k4v h ARG 103 Cb -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 29.89 2k4v h ARG 103 CO -0.09 0.27 -0.03 0.00 -0.00 0.00 0.00 179.97 180.13 2k4v h ALA 104 N 1.75 -0.07 0.01 0.08 0.00 -1.11 -2.97 119.26 116.94 2k4v h ALA 104 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k4v h ALA 104 Cb 0.29 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2k4v h ALA 104 CO 0.02 -0.15 -0.19 -0.22 0.00 0.00 0.00 179.25 178.70 2k4v h LYS 105 N -0.85 -0.30 0.00 0.00 1.63 -1.07 -2.08 116.57 113.90 2k4v h LYS 105 Ca -0.01 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.79 2k4v h LYS 105 Cb 0.65 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2k4v h LYS 105 CO 0.01 -0.20 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.63 2k4v h LEU 106 N -0.31 0.00 -1.01 5.20 4.07 -1.31 0.11 115.31 122.05 2k4v h LEU 106 Ca 0.06 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 2k4v h LEU 106 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 2k4v h LEU 106 CO -0.17 0.11 -0.40 -0.74 -1.08 0.00 0.00 178.44 176.15 2k4v h HIS 107 N 0.00 0.22 0.00 1.13 2.76 -1.29 -3.47 115.15 114.50 2k4v h HIS 107 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2k4v h HIS 107 Cb 0.24 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.15 2k4v h HIS 107 CO 0.00 0.56 0.00 0.00 -1.30 0.00 0.00 177.93 177.19 2k4v n ALA 108 N -2.47 0.00 -3.65 5.26 0.00 0.02 -4.94 120.51 114.73 2k4v n ALA 108 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.23 2k4v n ALA 108 Cb 0.46 -0.28 -0.16 0.00 0.00 0.00 0.00 19.45 19.47 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 -2.99 0.64 -1.05 0.00 3.76 -1.26 -5.06 115.29 109.33 2k4v s HIS 109 Ca 0.00 -0.15 -0.26 0.00 -0.15 0.00 0.00 55.06 54.49 2k4v s HIS 109 Cb 0.00 -0.61 -0.20 0.00 1.11 0.00 0.00 32.58 32.88 2k4v s HIS 109 CO 0.00 -0.18 2.15 -2.14 -0.85 0.00 0.00 174.74 173.71 2k4v s PRO 110 N 1.00 1.32 -0.45 8.40 0.02 -1.26 -4.74 135.00 139.29 2k4v s PRO 110 Ca -0.10 -0.35 0.07 0.00 0.02 0.00 0.00 61.00 60.65 2k4v s PRO 110 Cb -0.14 -4.97 0.40 0.00 0.02 0.00 0.00 34.50 29.81 2k4v s PRO 110 CO -0.01 -5.26 1.02 0.41 -0.33 0.00 0.00 177.00 172.84 2k4v n GLY 111 N 6.23 5.07 3.79 0.52 0.00 -1.26 -5.07 105.19 114.47 2k4v n GLY 111 Ca 0.42 -2.48 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2k4v n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4v s GLU 112 N -3.39 3.43 -0.80 1.61 8.01 -1.26 -4.90 118.70 121.40 2k4v s GLU 112 Ca 0.44 1.35 -0.24 0.00 0.01 0.00 0.00 54.97 56.54 2k4v s GLU 112 Cb 0.38 -2.04 -0.17 0.00 -4.31 0.00 0.00 34.13 27.99 2k4v s GLU 112 CO -0.14 -0.74 2.38 -0.35 0.01 0.00 0.00 175.26 176.43 2k4v n PRO 113 N -1.59 0.51 -2.76 0.39 -0.04 -1.26 -4.92 135.00 125.34 2k4v n PRO 113 Ca 0.10 -0.64 -0.38 0.00 -0.04 0.00 0.00 63.50 62.54 2k4v n PRO 113 Cb 0.52 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.68 2k4v n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k4v s VAL 114 N 12.33 4.14 -0.70 0.52 0.11 -1.26 -4.99 120.40 130.55 2k4v s VAL 114 Ca 1.00 1.91 -0.02 0.00 -2.93 0.00 0.00 61.98 61.94 2k4v s VAL 114 Cb -0.26 -4.12 0.40 0.00 -1.53 0.00 0.00 36.38 30.87 2k4v s VAL 114 CO 0.18 0.27 2.06 0.47 -3.33 0.00 0.00 175.10 174.74 2k4v n ASP 115 N 0.89 7.57 0.03 3.54 8.00 -1.26 -4.56 116.55 130.75 2k4v n ASP 115 Ca 0.01 -3.75 0.04 0.00 0.71 0.00 0.00 54.79 51.79 2k4v n ASP 115 Cb 0.49 -1.02 0.43 0.00 -0.02 0.00 0.00 41.12 41.00 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 2.38 0.42 -7.32 0.64 8.10 -2.00 -3.06 115.31 114.47 2k4v h LEU 116 Ca 0.58 -0.02 -0.65 0.00 0.11 0.00 0.00 57.88 57.89 2k4v h LEU 116 Cb 0.58 -0.11 -0.39 0.00 -0.44 0.00 0.00 40.66 40.30 2k4v h LEU 116 CO 1.49 0.34 -0.48 -0.70 -4.11 0.00 0.00 178.44 174.97 2k4v s GLU 117 N -5.37 2.43 -0.02 0.17 2.56 -1.26 -4.70 118.70 112.51 2k4v s GLU 117 Ca -0.08 -2.93 0.03 0.00 0.00 0.00 0.00 54.97 52.00 2k4v s GLU 117 Cb 0.17 -3.52 0.05 0.00 2.00 0.00 0.00 34.13 32.82 2k4v s GLU 117 CO 0.73 -1.20 0.85 -2.13 -0.56 0.00 0.00 175.26 172.95 2k4v n ARG 118 N 2.72 0.74 -0.02 4.30 0.00 -1.16 -4.95 116.66 118.29 2k4v n ARG 118 Ca 0.12 -1.17 -0.04 0.00 -0.00 0.00 0.00 57.85 56.76 2k4v n ARG 118 Cb 0.35 -0.75 -0.01 0.00 0.00 0.00 0.00 32.46 32.04 2k4v n ARG 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2k4v n ILE 119 N -0.32 0.90 -2.33 5.15 2.08 -1.26 -4.75 119.36 118.82 2k4v n ILE 119 Ca 0.03 0.27 -0.43 0.00 0.56 0.00 0.00 62.75 63.18 2k4v n ILE 119 Cb 0.54 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 2k4v n ILE 119 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 2k4v n ILE 120 N -3.52 4.26 -3.55 1.39 5.41 -1.26 -4.88 119.36 117.21 2k4v n ILE 120 Ca -0.06 -4.30 -0.40 0.00 1.00 0.00 0.00 62.75 59.00 2k4v n ILE 120 Cb 0.21 -2.39 -0.05 0.00 -0.71 0.00 0.00 39.64 36.70 2k4v n ILE 120 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k4v s ARG 121 N 0.75 3.33 0.32 0.38 1.81 -1.26 -5.02 118.95 119.26 2k4v s ARG 121 Ca 0.41 -2.95 -0.07 0.00 -1.72 0.00 0.00 55.73 51.40 2k4v s ARG 121 Cb 0.09 -4.09 0.01 0.00 -0.45 0.00 0.00 34.95 30.51 2k4v s ARG 121 CO -0.00 -1.24 0.51 -1.01 -0.68 0.00 0.00 175.30 172.87 2k4v s HIS 122 N -0.77 0.77 0.02 -0.53 3.76 -1.26 -5.20 115.29 112.09 2k4v s HIS 122 Ca 0.24 -1.09 -0.00 0.00 -0.15 0.00 0.00 55.06 54.05 2k4v s HIS 122 Cb -0.11 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 2k4v s HIS 122 CO -0.09 -1.15 -0.03 -1.83 -0.85 0.00 0.00 174.74 170.80 2k4v s GLU 123 N -3.22 0.36 2.03 1.40 -1.05 -1.26 -5.02 118.70 111.94 2k4v s GLU 123 Ca 0.27 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2k4v s GLU 123 Cb -0.01 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 2k4v s GLU 123 CO 0.16 -0.06 0.00 0.41 0.95 0.00 0.00 175.26 176.72 2k4v n GLY 124 N 1.36 2.05 0.00 -3.83 0.00 -1.26 -5.33 105.19 98.17 2k4v n GLY 124 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76