#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 2.30 0.00 1.69 0.00 -1.26 -5.07 105.19 102.85 2k4v n GLY 2 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k4v n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2k4v n HIS 3 N 0.00 0.00 -4.61 1.61 1.44 -1.26 -5.05 115.22 107.35 2k4v n HIS 3 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 2k4v n HIS 3 Cb 0.00 0.09 -0.08 0.00 0.12 0.00 0.00 29.99 30.12 2k4v n HIS 3 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2k4v s MET 4 N 0.00 2.14 0.38 -1.40 -1.94 -1.26 -4.58 119.30 112.64 2k4v s MET 4 Ca 0.00 -2.25 -0.22 0.00 -1.71 0.00 0.00 55.69 51.50 2k4v s MET 4 Cb 0.00 -1.64 -0.10 0.00 2.01 0.00 0.00 34.83 35.10 2k4v s MET 4 CO 0.00 -0.28 0.93 0.12 -0.01 0.00 0.00 175.02 175.78 2k4v s PHE 5 N -2.80 3.45 0.03 -0.03 5.36 -1.26 -4.05 117.98 118.68 2k4v s PHE 5 Ca 0.18 1.65 -0.01 0.00 -0.96 0.00 0.00 56.93 57.79 2k4v s PHE 5 Cb 0.04 -2.86 -0.03 0.00 -0.34 0.00 0.00 43.02 39.84 2k4v s PHE 5 CO 0.10 0.02 -0.01 -1.83 -1.46 0.00 0.00 175.22 172.04 2k4v s GLU 6 N -2.75 0.46 -0.54 10.12 1.03 -0.81 -5.00 118.70 121.21 2k4v s GLU 6 Ca 0.57 -0.86 -0.27 0.00 0.03 0.00 0.00 54.97 54.45 2k4v s GLU 6 Cb -0.13 0.16 -0.09 0.00 -0.80 0.00 0.00 34.13 33.28 2k4v s GLU 6 CO 0.17 -0.09 2.44 -2.30 -1.33 0.00 0.00 175.26 174.16 2k4v n PRO 7 N 0.93 0.95 0.00 -4.83 -0.02 -1.26 -2.04 135.00 128.72 2k4v n PRO 7 Ca -0.20 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 2k4v n PRO 7 Cb 0.58 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.86 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 6.07 1.39 3.19 -1.23 0.00 -1.26 -5.09 105.19 108.26 2k4v n GLY 8 Ca 0.40 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.29 -0.08 -0.09 1.61 5.65 -0.87 -3.38 115.29 116.86 2k4v s HIS 9 Ca 0.00 0.06 0.03 0.00 0.25 0.00 0.00 55.06 55.40 2k4v s HIS 9 Cb 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 32.58 31.44 2k4v s HIS 9 CO 0.00 -0.37 -0.18 -1.17 -0.65 0.00 0.00 174.74 172.37 2k4v s LEU 10 N -1.47 1.87 -0.13 8.88 2.96 0.24 -1.92 118.68 129.11 2k4v s LEU 10 Ca -0.13 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 2k4v s LEU 10 Cb -0.05 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.46 2k4v s LEU 10 CO 0.02 0.09 0.23 -2.28 -1.32 0.00 0.00 176.35 173.10 2k4v s HIS 11 N 0.53 3.54 -0.21 5.38 5.65 -1.26 -1.20 115.29 127.73 2k4v s HIS 11 Ca -0.16 0.59 0.01 0.00 0.25 0.00 0.00 55.06 55.74 2k4v s HIS 11 Cb -0.17 -2.17 0.05 0.00 -1.18 0.00 0.00 32.58 29.11 2k4v s HIS 11 CO 0.06 0.48 -0.08 -0.51 -0.65 0.00 0.00 174.74 174.04 2k4v s LEU 12 N -0.29 2.29 0.32 8.88 1.43 -0.47 -4.63 118.68 126.21 2k4v s LEU 12 Ca 0.16 -0.96 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2k4v s LEU 12 Cb -0.13 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.86 2k4v s LEU 12 CO 0.04 -0.18 0.03 0.68 0.23 0.00 0.00 176.35 177.15 2k4v s VAL 13 N 1.43 1.36 0.04 -1.59 -7.23 -1.26 -0.96 120.40 112.19 2k4v s VAL 13 Ca -0.03 -2.03 -0.28 0.00 -1.81 0.00 0.00 61.98 57.84 2k4v s VAL 13 Cb -0.17 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 2k4v s VAL 13 CO -0.07 -0.08 0.90 -0.55 -0.31 0.00 0.00 175.10 174.99 2k4v s SER 14 N -3.49 7.34 -0.21 4.85 0.15 -1.25 -5.01 113.70 116.08 2k4v s SER 14 Ca 0.35 1.61 -0.28 0.00 0.70 0.00 0.00 55.95 58.33 2k4v s SER 14 Cb 0.08 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 2k4v s SER 14 CO 0.15 -0.12 0.98 -1.48 1.20 0.00 0.00 173.24 173.97 2k4v s LEU 15 N 0.42 4.13 -0.72 3.45 0.05 -1.26 -4.98 118.68 119.77 2k4v s LEU 15 Ca 0.46 1.33 -0.26 0.00 0.05 0.00 0.00 54.13 55.71 2k4v s LEU 15 Cb -0.21 -3.46 -0.05 0.00 -2.05 0.00 0.00 46.19 40.42 2k4v s LEU 15 CO 0.27 -0.59 2.06 -2.16 -0.55 0.00 0.00 176.35 175.38 2k4v s PRO 16 N 2.86 2.36 0.00 1.48 0.04 -1.26 -3.61 135.00 136.88 2k4v s PRO 16 Ca 0.43 0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2k4v s PRO 16 Cb -0.16 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.68 2k4v s PRO 16 CO 0.09 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.24 2k4v n GLY 17 N 6.30 -0.49 0.03 0.56 0.00 -1.26 -5.02 105.19 105.31 2k4v n GLY 17 Ca 0.34 0.29 -0.01 0.00 0.00 0.00 0.00 46.02 46.63 2k4v n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2k4v h LEU 18 N 0.00 0.00 -8.79 0.99 5.85 -2.00 -3.48 115.31 107.88 2k4v h LEU 18 Ca 0.00 0.00 -0.69 0.00 0.84 0.00 0.00 57.88 58.03 2k4v h LEU 18 Cb 0.00 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 40.78 2k4v h LEU 18 CO 0.00 0.27 -0.86 1.51 -0.34 0.00 0.00 178.44 179.02 2k4v s ASP 19 N -4.29 3.33 -0.25 1.25 -4.77 -1.25 -4.89 116.67 105.79 2k4v s ASP 19 Ca -0.03 -0.55 -0.04 0.00 -3.30 0.00 0.00 52.55 48.63 2k4v s ASP 19 Cb 0.00 -0.37 0.08 0.00 -1.09 0.00 0.00 42.92 41.55 2k4v s ASP 19 CO 0.05 0.26 0.10 -1.10 0.70 0.00 0.00 175.17 175.18 2k4v s GLN 20 N -1.28 0.30 0.11 2.11 -0.21 -1.26 -4.15 119.66 115.28 2k4v s GLN 20 Ca 0.12 -0.48 -0.13 0.00 0.02 0.00 0.00 55.36 54.89 2k4v s GLN 20 Cb -0.10 -1.59 0.02 0.00 1.00 0.00 0.00 33.01 32.34 2k4v s GLN 20 CO 0.03 -0.87 0.32 -1.14 -2.12 0.00 0.00 175.29 171.51 2k4v s GLN 21 N 2.01 0.98 -1.18 2.91 0.74 -1.26 -4.68 119.66 119.18 2k4v s GLN 21 Ca 0.06 -0.80 -0.21 0.00 0.05 0.00 0.00 55.36 54.46 2k4v s GLN 21 Cb -0.16 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 2k4v s GLN 21 CO -0.24 -0.36 1.90 -3.47 -0.55 0.00 0.00 175.29 172.57 2k4v n ASP 22 N -0.16 3.57 -4.21 6.67 2.03 -1.26 -4.66 116.55 118.53 2k4v n ASP 22 Ca -0.16 -2.77 -0.27 0.00 0.52 0.00 0.00 54.79 52.11 2k4v n ASP 22 Cb 0.63 -1.65 -0.16 0.00 -0.72 0.00 0.00 41.12 39.22 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 7.89 1.64 -0.19 5.18 -5.25 -1.26 -1.18 121.20 128.02 2k4v s ILE 23 Ca 0.62 -0.87 -0.09 0.00 -0.99 0.00 0.00 60.65 59.31 2k4v s ILE 23 Cb 0.04 -1.38 0.07 0.00 2.95 0.00 0.00 42.46 44.14 2k4v s ILE 23 CO 0.11 0.47 0.44 0.54 -1.79 0.00 0.00 174.94 174.70 2k4v s ASN 24 N -0.34 -0.49 -0.03 4.36 2.20 -1.25 -3.82 114.94 115.57 2k4v s ASN 24 Ca 0.04 1.00 -0.04 0.00 -0.94 0.00 0.00 52.86 52.92 2k4v s ASN 24 Cb -0.09 1.04 0.01 0.00 -2.00 0.00 0.00 41.25 40.21 2k4v s ASN 24 CO 0.00 -0.21 0.10 -0.63 -2.94 0.00 0.00 177.10 173.42 2k4v s ILE 25 N 1.84 0.02 -0.07 0.54 1.01 -0.13 -2.47 121.20 121.94 2k4v s ILE 25 Ca -0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 2k4v s ILE 25 Cb -0.09 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 2k4v s ILE 25 CO -0.14 -0.09 0.08 -1.00 0.00 0.00 0.00 174.94 173.80 2k4v s HIS 26 N -0.24 3.36 -0.24 3.97 3.76 0.30 -1.37 115.29 124.82 2k4v s HIS 26 Ca -0.03 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 2k4v s HIS 26 Cb -0.02 -1.82 0.07 0.00 1.11 0.00 0.00 32.58 31.91 2k4v s HIS 26 CO 0.00 0.59 -0.03 0.42 -0.85 0.00 0.00 174.74 174.87 2k4v s ILE 27 N -1.05 1.43 -0.05 0.60 1.01 -0.34 -3.20 121.20 119.60 2k4v s ILE 27 Ca 0.18 -1.24 -0.13 0.00 0.00 0.00 0.00 60.65 59.46 2k4v s ILE 27 Cb -0.12 -1.77 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 2k4v s ILE 27 CO 0.07 -0.18 0.32 -0.13 0.00 0.00 0.00 174.94 175.02 2k4v s ARG 28 N 1.42 3.84 -0.17 2.79 0.52 -0.26 -0.60 118.95 126.49 2k4v s ARG 28 Ca -0.03 0.23 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 2k4v s ARG 28 Cb -0.19 -3.24 0.03 0.00 0.52 0.00 0.00 34.95 32.07 2k4v s ARG 28 CO -0.08 0.65 -0.12 1.52 0.02 0.00 0.00 175.30 177.29 2k4v s TYR 29 N -0.84 2.29 -0.24 -0.53 1.13 -1.22 -1.60 117.35 116.35 2k4v s TYR 29 Ca 0.21 -1.40 0.02 0.00 -1.41 0.00 0.00 57.07 54.48 2k4v s TYR 29 Cb -0.15 -1.62 0.06 0.00 -1.10 0.00 0.00 41.96 39.15 2k4v s TYR 29 CO 0.10 -0.71 -0.09 -1.21 -2.51 0.00 0.00 175.55 171.13 2k4v s GLU 30 N 1.44 2.03 -0.31 -3.49 2.02 -0.38 -4.84 118.70 115.17 2k4v s GLU 30 Ca 0.02 -1.12 -0.24 0.00 0.02 0.00 0.00 54.97 53.65 2k4v s GLU 30 Cb -0.14 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.40 2k4v s GLU 30 CO -0.09 -0.54 0.84 0.08 0.02 0.00 0.00 175.26 175.57 2k4v s VAL 31 N 1.26 4.74 0.14 2.63 1.01 -1.26 -1.01 120.40 127.91 2k4v s VAL 31 Ca -0.06 1.29 0.05 0.00 0.00 0.00 0.00 61.98 63.25 2k4v s VAL 31 Cb -0.19 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2k4v s VAL 31 CO -0.06 -0.29 -0.11 -0.60 0.00 0.00 0.00 175.10 174.04 2k4v s ARG 32 N 3.07 1.04 -0.29 2.72 3.52 -0.40 -5.01 118.95 123.60 2k4v s ARG 32 Ca 0.35 -1.40 -0.01 0.00 -0.13 0.00 0.00 55.73 54.54 2k4v s ARG 32 Cb -0.14 -0.66 0.05 0.00 -1.56 0.00 0.00 34.95 32.64 2k4v s ARG 32 CO 0.13 0.09 -0.03 -0.65 -0.81 0.00 0.00 175.30 174.03 2k4v s GLN 33 N -3.51 2.43 0.12 5.12 -1.52 -1.26 -1.49 119.66 119.55 2k4v s GLN 33 Ca 0.15 -1.25 0.00 0.00 -1.95 0.00 0.00 55.36 52.30 2k4v s GLN 33 Cb 0.01 -3.10 -0.04 0.00 -0.22 0.00 0.00 33.01 29.66 2k4v s GLN 33 CO 0.01 -0.59 0.28 0.54 -0.25 0.00 0.00 175.29 175.28 2k4v s ASN 34 N 1.23 6.37 0.41 5.90 6.03 -0.15 -4.99 114.94 129.74 2k4v s ASN 34 Ca -0.06 0.30 0.20 0.00 -1.03 0.00 0.00 52.86 52.28 2k4v s ASN 34 Cb -0.19 -1.97 0.85 0.00 -3.03 0.00 0.00 41.25 36.90 2k4v s ASN 34 CO -0.02 0.09 1.81 0.00 -2.03 0.00 0.00 177.10 176.95 2k4v h ALA 35 N 2.62 1.09 0.24 3.54 0.00 -2.00 -0.91 119.26 123.83 2k4v h ALA 35 Ca -0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2k4v h ALA 35 Cb 1.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2k4v h ALA 35 CO 0.72 0.39 -0.11 1.49 0.00 0.00 0.00 179.25 181.73 2k4v h GLU 36 N 0.00 -0.31 0.00 0.00 4.81 -2.05 -3.40 114.58 113.64 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 0.76 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2k4v h GLU 36 CO 0.04 0.01 0.00 0.43 -0.73 0.00 0.00 179.01 178.76 2k4v n SER 37 N -5.09 0.64 0.00 1.04 7.64 -1.24 -5.13 113.62 111.48 2k4v n SER 37 Ca -0.09 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.82 2k4v n SER 37 Cb 0.24 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.03 0.64 3.72 0.23 0.00 -0.35 -4.86 105.19 104.61 2k4v n GLY 38 Ca 0.00 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 3.24 0.31 4.61 0.00 -1.26 -0.98 121.76 125.68 2k4v s ALA 39 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 2k4v s ALA 39 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.95 2k4v s ALA 39 CO 0.00 -0.14 0.66 1.52 0.00 0.00 0.00 175.76 177.81 2k4v s TYR 40 N 0.70 0.16 -0.07 0.00 1.13 -0.56 -2.08 117.35 116.63 2k4v s TYR 40 Ca 0.46 -0.64 0.00 0.00 -1.41 0.00 0.00 57.07 55.48 2k4v s TYR 40 Cb -0.20 0.56 0.02 0.00 -1.10 0.00 0.00 41.96 41.23 2k4v s TYR 40 CO 0.25 -1.28 -0.06 0.08 -2.51 0.00 0.00 175.55 172.03 2k4v s VAL 41 N -3.34 0.73 -0.26 -3.49 1.01 -0.43 -1.28 120.40 113.32 2k4v s VAL 41 Ca 0.17 -0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.75 2k4v s VAL 41 Cb -0.04 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 2k4v s VAL 41 CO 0.10 0.29 0.71 -2.28 0.00 0.00 0.00 175.10 173.92 2k4v s HIS 42 N 1.25 3.27 -0.20 5.22 2.46 -0.18 -2.23 115.29 124.88 2k4v s HIS 42 Ca -0.05 0.89 -0.08 0.00 0.47 0.00 0.00 55.06 56.28 2k4v s HIS 42 Cb -0.14 -2.97 -0.04 0.00 -0.13 0.00 0.00 32.58 29.30 2k4v s HIS 42 CO -0.02 -0.40 0.09 -0.06 -2.47 0.00 0.00 174.74 171.88 2k4v s PHE 43 N 2.68 3.26 -0.09 3.88 0.08 -0.33 -1.25 117.98 126.21 2k4v s PHE 43 Ca 0.29 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.43 2k4v s PHE 43 Cb -0.15 -2.14 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 2k4v s PHE 43 CO 0.09 0.10 -0.08 0.34 -0.10 0.00 0.00 175.22 175.57 2k4v s ASP 44 N 0.63 1.89 -0.07 1.36 -1.08 -0.63 -1.45 116.67 117.32 2k4v s ASP 44 Ca 0.05 -0.27 0.04 0.00 -0.52 0.00 0.00 52.55 51.85 2k4v s ASP 44 Cb -0.13 -0.77 -0.00 0.00 -1.46 0.00 0.00 42.92 40.57 2k4v s ASP 44 CO 0.01 -0.07 -0.21 -0.04 0.52 0.00 0.00 175.17 175.38 2k4v s MET 45 N 1.35 2.46 0.04 4.34 -1.94 -0.02 -1.11 119.30 124.42 2k4v s MET 45 Ca -0.02 -0.76 -0.20 0.00 -1.71 0.00 0.00 55.69 53.00 2k4v s MET 45 Cb -0.14 -1.97 0.04 0.00 2.01 0.00 0.00 34.83 34.77 2k4v s MET 45 CO -0.04 0.22 0.46 0.16 -0.01 0.00 0.00 175.02 175.81 2k4v s ASP 46 N 0.21 -0.35 0.00 3.03 -4.77 -1.19 -1.42 116.67 112.17 2k4v s ASP 46 Ca -0.11 0.10 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 2k4v s ASP 46 Cb -0.15 0.45 0.00 0.00 -1.09 0.00 0.00 42.92 42.12 2k4v s ASP 46 CO 0.05 -0.67 0.00 0.61 0.70 0.00 0.00 175.17 175.87 2k4v n GLY 47 N 0.54 -0.52 2.77 2.12 0.00 -1.16 -0.54 105.19 108.40 2k4v n GLY 47 Ca -0.19 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.78 0.20 -0.24 1.61 -1.05 -1.03 -2.00 118.70 114.41 2k4v s GLU 48 Ca 0.00 0.25 -0.12 0.00 -0.15 0.00 0.00 54.97 54.95 2k4v s GLU 48 Cb 0.00 -1.10 -0.05 0.00 -0.44 0.00 0.00 34.13 32.54 2k4v s GLU 48 CO 0.00 -0.64 0.22 0.42 0.95 0.00 0.00 175.26 176.21 2k4v s ILE 49 N 2.34 5.31 -1.63 1.83 1.01 -0.98 -3.82 121.20 125.27 2k4v s ILE 49 Ca 0.07 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.03 2k4v s ILE 49 Cb -0.16 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.76 2k4v s ILE 49 CO -0.12 0.31 0.00 0.47 0.00 0.00 0.00 174.94 175.60 2k4v n ASP 50 N 4.46 -5.00 -0.01 3.58 9.92 -0.33 -1.69 116.55 127.47 2k4v n ASP 50 Ca -0.13 0.22 -0.00 0.00 -0.53 0.00 0.00 54.79 54.35 2k4v n ASP 50 Cb 0.52 -4.04 -0.00 0.00 -0.64 0.00 0.00 41.12 36.96 2k4v n ASP 50 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k4v n GLY 51 N -0.96 0.44 3.48 0.44 0.00 -1.25 -5.03 105.19 102.31 2k4v n GLY 51 Ca -0.18 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.33 3.15 0.23 1.61 1.02 -0.68 -4.97 119.74 119.77 2k4v s LYS 52 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 54.96 2k4v s LYS 52 Cb 0.00 -4.01 -0.10 0.00 -0.52 0.00 0.00 37.83 33.19 2k4v s LYS 52 CO 0.00 -1.02 1.52 -1.25 -0.92 0.00 0.00 175.35 173.68 2k4v s PRO 53 N 2.45 4.22 0.02 -1.68 0.04 -1.26 -2.32 135.00 136.47 2k4v s PRO 53 Ca 0.15 2.39 0.01 0.00 0.04 0.00 0.00 61.00 63.59 2k4v s PRO 53 Cb -0.17 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.25 2k4v s PRO 53 CO 0.14 -0.53 -0.05 -0.59 0.04 0.00 0.00 177.00 176.02 2k4v s PHE 54 N 0.34 0.43 -0.17 0.56 -0.71 -0.85 -4.99 117.98 112.59 2k4v s PHE 54 Ca 0.64 -0.39 -0.02 0.00 -1.04 0.00 0.00 56.93 56.12 2k4v s PHE 54 Cb -0.44 -0.27 0.05 0.00 -1.21 0.00 0.00 43.02 41.15 2k4v s PHE 54 CO 0.41 -0.10 0.00 -1.54 -1.34 0.00 0.00 175.22 172.65 2k4v s SER 55 N -1.15 2.72 -0.01 1.98 1.04 -1.26 -2.97 113.70 114.06 2k4v s SER 55 Ca -0.09 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2k4v s SER 55 Cb -0.08 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.36 2k4v s SER 55 CO -0.00 -0.25 0.01 -0.62 0.98 0.00 0.00 173.24 173.35 2k4v s ASP 56 N 1.79 0.06 -0.06 7.02 -1.08 -0.51 -5.05 116.67 118.84 2k4v s ASP 56 Ca 0.00 0.01 -0.13 0.00 -0.52 0.00 0.00 52.55 51.91 2k4v s ASP 56 Cb -0.16 -0.03 0.03 0.00 -1.46 0.00 0.00 42.92 41.29 2k4v s ASP 56 CO -0.07 -0.04 0.30 -0.94 0.52 0.00 0.00 175.17 174.94 2k4v s SER 57 N 0.36 -0.24 0.01 -0.34 1.04 -1.26 -0.84 113.70 112.43 2k4v s SER 57 Ca -0.03 0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.71 2k4v s SER 57 Cb -0.05 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 2k4v s SER 57 CO -0.01 -0.30 -0.03 0.72 0.98 0.00 0.00 173.24 174.60 2k4v s PHE 58 N -0.69 0.30 -0.03 5.02 -0.71 -0.53 -5.02 117.98 116.32 2k4v s PHE 58 Ca -0.08 -0.16 0.05 0.00 -1.04 0.00 0.00 56.93 55.70 2k4v s PHE 58 Cb -0.04 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.55 2k4v s PHE 58 CO 0.02 -0.04 -0.18 -1.21 -1.34 0.00 0.00 175.22 172.48 2k4v s GLU 59 N -0.42 2.34 -0.02 1.99 8.01 -1.26 -1.19 118.70 128.14 2k4v s GLU 59 Ca -0.02 -0.79 0.02 0.00 0.01 0.00 0.00 54.97 54.19 2k4v s GLU 59 Cb -0.03 -2.26 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 2k4v s GLU 59 CO -0.00 0.60 -0.08 -0.51 0.01 0.00 0.00 175.26 175.27 2k4v s LEU 60 N -0.75 1.78 1.00 1.80 1.43 -0.95 -5.01 118.68 117.98 2k4v s LEU 60 Ca 0.11 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2k4v s LEU 60 Cb -0.10 -0.51 0.19 0.00 0.03 0.00 0.00 46.19 45.80 2k4v s LEU 60 CO 0.00 0.06 1.08 -2.16 0.23 0.00 0.00 176.35 175.56 2k4v s PRO 61 N 0.20 0.39 0.40 1.29 0.04 -1.26 -1.32 135.00 134.75 2k4v s PRO 61 Ca -0.03 1.02 0.28 0.00 0.04 0.00 0.00 61.00 62.31 2k4v s PRO 61 Cb -0.08 -1.69 1.38 0.00 0.04 0.00 0.00 34.50 34.15 2k4v s PRO 61 CO 0.00 -2.89 1.48 2.89 0.04 0.00 0.00 177.00 178.52 2k4v n ARG 62 N -4.36 -0.04 0.21 4.56 1.85 -0.88 -0.49 116.66 117.51 2k4v n ARG 62 Ca 0.07 1.21 0.13 0.00 -1.00 0.00 0.00 57.85 58.26 2k4v n ARG 62 Cb 0.54 -2.34 0.26 0.00 -1.05 0.00 0.00 32.46 29.88 2k4v n ARG 62 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 2k4v h ASP 63 N 0.00 0.00 0.00 2.89 3.32 -1.90 -3.33 116.42 117.40 2k4v h ASP 63 Ca 0.83 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.88 2k4v h ASP 63 Cb 2.57 0.00 0.00 0.00 0.22 0.00 0.00 39.33 42.12 2k4v h ASP 63 CO -0.50 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.37 2k4v n THR 64 N -2.96 0.14 -0.35 0.35 -2.24 -0.45 -4.83 114.28 103.95 2k4v n THR 64 Ca 0.04 -0.31 0.06 0.00 -2.27 0.00 0.00 64.05 61.57 2k4v n THR 64 Cb 0.49 1.29 0.22 0.00 -2.10 0.00 0.00 70.33 70.23 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 1.43 0.00 6.98 0.00 -0.90 -1.59 119.26 125.18 2k4v h ALA 65 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k4v h ALA 65 Cb 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k4v h ALA 65 CO 0.00 0.23 0.00 0.74 0.00 0.00 0.00 179.25 180.22 2k4v h PHE 66 N 0.98 0.00 -0.00 0.00 0.04 -1.86 -2.80 116.94 113.30 2k4v h PHE 66 Ca 0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.24 2k4v h PHE 66 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 2k4v h PHE 66 CO -0.02 0.00 -0.06 0.09 -0.60 0.00 0.00 178.31 177.73 2k4v n ASN 67 N -2.73 0.33 -0.26 2.17 5.03 -0.60 -4.24 115.26 114.96 2k4v n ASN 67 Ca 0.02 -0.60 0.05 0.00 0.87 0.00 0.00 54.58 54.92 2k4v n ASN 67 Cb 0.30 -0.11 0.19 0.00 -1.02 0.00 0.00 39.78 39.14 2k4v n ASN 67 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2k4v h PHE 68 N 0.43 0.55 -0.74 3.10 -0.00 -1.59 -2.98 116.94 115.71 2k4v h PHE 68 Ca 0.00 0.04 0.21 0.00 -0.00 0.00 0.00 57.97 58.22 2k4v h PHE 68 Cb 0.28 -0.13 -0.03 0.00 -0.00 0.00 0.00 35.95 36.07 2k4v h PHE 68 CO 0.00 0.08 0.53 0.00 -0.00 0.00 0.00 178.31 178.92 2k4v h ALA 69 N 1.54 2.67 -0.13 12.09 0.00 -1.85 0.16 119.26 133.74 2k4v h ALA 69 Ca 0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2k4v h ALA 69 Cb 0.62 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k4v h ALA 69 CO -0.39 -0.88 -0.04 0.77 0.00 0.00 0.00 179.25 178.71 2k4v h SER 70 N 0.02 0.26 -0.02 0.00 0.02 -1.87 -2.97 113.55 108.98 2k4v h SER 70 Ca 0.35 -0.38 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 2k4v h SER 70 Cb 1.38 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2k4v h SER 70 CO -0.01 0.58 -0.22 -0.78 -1.14 0.00 0.00 176.83 175.26 2k4v h ASP 71 N -0.07 0.24 -1.03 3.07 3.58 -1.10 -2.52 116.42 118.59 2k4v h ASP 71 Ca 0.03 -0.71 0.30 0.00 0.42 0.00 0.00 57.03 57.07 2k4v h ASP 71 Cb 0.47 -0.07 -0.13 0.00 1.72 0.00 0.00 39.33 41.32 2k4v h ASP 71 CO 0.01 0.91 0.61 0.00 -2.88 0.00 0.00 179.24 177.90 2k4v h ALA 72 N 0.33 2.00 -0.08 -0.78 0.00 -0.91 0.12 119.26 119.94 2k4v h ALA 72 Ca -0.02 0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 2k4v h ALA 72 Cb 0.92 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.81 2k4v h ALA 72 CO 0.05 -0.53 -0.49 1.15 0.00 0.00 0.00 179.25 179.43 2k4v h THR 73 N 0.41 1.39 -0.27 0.00 2.02 -1.56 -3.01 112.91 111.89 2k4v h THR 73 Ca 0.69 -1.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 2k4v h THR 73 Cb 1.56 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 70.23 2k4v h THR 73 CO -0.50 0.55 0.15 -0.09 0.37 0.00 0.00 175.52 176.00 2k4v h ARG 74 N 0.04 0.38 -0.04 6.66 2.43 -0.50 -1.35 114.38 122.00 2k4v h ARG 74 Ca -0.04 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.94 2k4v h ARG 74 Cb 1.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 2k4v h ARG 74 CO 0.10 0.34 -0.64 -0.24 -1.51 0.00 0.00 179.97 178.02 2k4v h VAL 75 N 0.32 1.42 -0.44 0.20 3.04 -1.02 -1.42 116.25 118.35 2k4v h VAL 75 Ca 0.10 -2.10 -0.09 0.00 -1.01 0.00 0.00 66.70 63.60 2k4v h VAL 75 Cb 0.07 2.10 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 2k4v h VAL 75 CO -0.02 0.61 -0.06 0.00 -1.01 0.00 0.00 177.57 177.10 2k4v h ALA 76 N 1.23 0.61 0.00 3.17 0.00 -1.36 -0.83 119.26 122.07 2k4v h ALA 76 Ca -0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 2k4v h ALA 76 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2k4v h ALA 76 CO 0.09 0.46 -0.49 -0.56 0.00 0.00 0.00 179.25 178.75 2k4v h GLN 77 N 0.66 0.00 0.00 0.00 3.07 -1.23 -2.29 115.11 115.32 2k4v h GLN 77 Ca 0.12 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.79 2k4v h GLN 77 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 2k4v h GLN 77 CO 0.03 0.49 -0.32 -0.22 0.09 0.00 0.00 178.83 178.90 2k4v h LYS 78 N 0.00 0.00 -0.10 0.06 3.64 -1.05 -2.05 116.57 117.07 2k4v h LYS 78 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k4v h LYS 78 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2k4v h LYS 78 CO 0.06 0.32 0.00 0.72 -2.27 0.00 0.00 179.45 178.28 2k4v n HIS 79 N -3.86 0.13 -0.77 1.91 8.25 -0.34 -4.92 115.22 115.62 2k4v n HIS 79 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2k4v n HIS 79 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 0.84 0.66 3.84 -1.41 0.00 -0.78 -4.84 105.19 103.49 2k4v n GLY 80 Ca 0.11 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 2k4v n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4v s LEU 81 N -1.04 4.12 0.16 0.99 1.43 -1.19 -4.90 118.68 118.26 2k4v s LEU 81 Ca 0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2k4v s LEU 81 Cb 0.00 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.21 2k4v s LEU 81 CO 0.00 -0.16 0.00 1.41 0.23 0.00 0.00 176.35 177.83 2k4v n HIS 82 N -0.12 -1.57 -0.36 0.29 8.25 -1.26 -4.86 115.22 115.59 2k4v n HIS 82 Ca 0.02 0.83 -0.30 0.00 -0.26 0.00 0.00 57.72 58.01 2k4v n HIS 82 Cb 0.53 -2.04 0.29 0.00 1.12 0.00 0.00 29.99 29.88 2k4v n HIS 82 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2k4v s PRO 83 N -4.40 -2.79 0.41 -0.41 0.02 -1.26 -4.80 135.00 121.76 2k4v s PRO 83 Ca 0.00 0.23 0.29 0.00 0.02 0.00 0.00 61.00 61.54 2k4v s PRO 83 Cb 0.00 -1.38 1.29 0.00 0.02 0.00 0.00 34.50 34.42 2k4v s PRO 83 CO 0.00 -4.81 1.87 0.87 -0.33 0.00 0.00 177.00 174.60 2k4v h LYS 84 N -3.37 0.00 -0.49 5.54 1.57 -1.99 -0.52 116.57 117.32 2k4v h LYS 84 Ca -0.46 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 2k4v h LYS 84 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 2k4v h LYS 84 CO 0.31 0.00 0.14 0.35 -0.57 0.00 0.00 179.45 179.68 2k4v h PHE 85 N 0.00 0.79 0.00 -1.35 3.57 -2.02 -3.50 116.94 114.43 2k4v h PHE 85 Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2k4v h PHE 85 Cb 0.33 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2k4v h PHE 85 CO 0.00 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.19 2k4v n GLY 86 N -0.66 -2.79 3.15 2.40 0.00 -0.20 -5.03 105.19 102.05 2k4v n GLY 86 Ca 0.01 -2.06 0.04 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.56 -2.70 -0.09 4.61 0.00 -1.26 -4.64 121.76 116.13 2k4v s ALA 87 Ca 0.00 1.60 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2k4v s ALA 87 Cb 0.00 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 2k4v s ALA 87 CO 0.00 -1.48 1.67 0.42 0.00 0.00 0.00 175.76 176.37 2k4v s ILE 88 N 2.89 3.58 -0.01 0.00 1.01 -1.26 -4.93 121.20 122.48 2k4v s ILE 88 Ca 0.14 0.69 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 2k4v s ILE 88 Cb -0.12 -3.49 -0.19 0.00 0.01 0.00 0.00 42.46 38.67 2k4v s ILE 88 CO -0.19 -0.11 1.26 0.00 0.00 0.00 0.00 174.94 175.90 2k4v h THR 89 N 5.74 1.40 0.00 2.92 1.03 -2.04 -3.46 112.91 118.51 2k4v h THR 89 Ca -0.38 -1.29 0.00 0.00 -0.01 0.00 0.00 66.41 64.73 2k4v h THR 89 Cb 1.17 2.17 0.00 0.00 -1.07 0.00 0.00 68.15 70.42 2k4v h THR 89 CO 0.96 0.35 0.00 -1.14 -0.01 0.00 0.00 175.52 175.68 2k4v n ARG 90 N -4.74 0.00 -1.55 0.00 3.00 -1.26 -4.77 116.66 107.34 2k4v n ARG 90 Ca -0.08 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.40 2k4v n ARG 90 Cb 0.31 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.83 2k4v n ARG 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2k4v n VAL 91 N 0.00 3.56 -2.00 5.15 0.24 -1.26 -4.91 118.33 119.11 2k4v n VAL 91 Ca 0.00 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.41 2k4v n VAL 91 Cb 0.00 -1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 31.21 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 -1.60 2.51 -1.47 6.34 3.76 -1.26 -4.89 115.29 118.67 2k4v s HIS 92 Ca 0.76 0.44 -0.08 0.00 -0.15 0.00 0.00 55.06 56.02 2k4v s HIS 92 Cb -0.39 -3.89 -0.03 0.00 1.11 0.00 0.00 32.58 29.38 2k4v s HIS 92 CO 0.47 -3.53 2.82 1.63 -0.85 0.00 0.00 174.74 175.28 2k4v n LYS 93 N 5.58 3.90 -2.27 1.40 4.76 -1.26 -4.59 118.16 125.68 2k4v n LYS 93 Ca 0.15 -2.53 -0.13 0.00 -2.87 0.00 0.00 58.31 52.93 2k4v n LYS 93 Cb 0.41 -2.72 -0.01 0.00 -1.84 0.00 0.00 35.03 30.87 2k4v n LYS 93 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2k4v n GLU 94 N 2.96 -2.06 -0.11 1.97 -0.58 -1.26 -4.86 120.64 116.69 2k4v n GLU 94 Ca 0.73 0.63 -0.12 0.00 -0.42 0.00 0.00 57.16 57.98 2k4v n GLU 94 Cb 0.26 -5.18 -0.03 0.00 -0.57 0.00 0.00 31.44 25.92 2k4v n GLU 94 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2k4v h TYR 95 N 0.00 0.78 -0.89 -0.32 3.20 -1.99 -2.22 116.97 115.54 2k4v h TYR 95 Ca -0.29 -0.19 0.13 0.00 3.14 0.00 0.00 58.73 61.52 2k4v h TYR 95 Cb 1.16 -0.18 -0.09 0.00 1.54 0.00 0.00 36.73 39.16 2k4v h TYR 95 CO 0.64 0.88 0.50 -0.44 -1.64 0.00 0.00 178.16 178.11 2k4v h ASP 96 N 0.45 0.67 -0.02 -2.11 5.19 -1.94 0.26 116.42 118.93 2k4v h ASP 96 Ca 0.08 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 2k4v h ASP 96 Cb 0.67 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2k4v h ASP 96 CO 0.04 0.32 -0.15 0.00 -3.12 0.00 0.00 179.24 176.33 2k4v h ALA 97 N 1.54 0.04 -0.88 3.45 0.00 -1.95 -3.13 119.26 118.33 2k4v h ALA 97 Ca 0.47 -0.41 0.16 0.00 0.00 0.00 0.00 54.91 55.13 2k4v h ALA 97 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 2k4v h ALA 97 CO -0.32 -0.00 0.46 1.98 0.00 0.00 0.00 179.25 181.38 2k4v h MET 98 N -0.51 0.61 0.27 0.00 -1.53 -1.14 -2.36 114.93 110.27 2k4v h MET 98 Ca -0.01 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 2k4v h MET 98 Cb 0.85 -0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 31.76 2k4v h MET 98 CO 0.03 0.41 -0.17 0.35 0.14 0.00 0.00 176.91 177.67 2k4v h PHE 99 N 0.63 -0.44 0.00 1.39 3.57 -0.53 -1.41 116.94 120.15 2k4v h PHE 99 Ca 0.49 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.92 2k4v h PHE 99 Cb 0.73 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 2k4v h PHE 99 CO -0.08 -0.27 -0.33 0.93 -2.23 0.00 0.00 178.31 176.33 2k4v h GLU 100 N -0.42 0.00 0.29 1.11 5.08 -1.44 -1.22 114.58 117.97 2k4v h GLU 100 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2k4v h GLU 100 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k4v h GLU 100 CO 0.02 0.33 -0.14 0.22 -1.00 0.00 0.00 179.01 178.44 2k4v h ASP 101 N 0.00 -0.33 -0.72 1.42 3.58 -1.22 -2.97 116.42 116.19 2k4v h ASP 101 Ca -0.00 -0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.25 2k4v h ASP 101 Cb 0.69 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 2k4v h ASP 101 CO 0.04 0.13 0.47 0.40 -2.88 0.00 0.00 179.24 177.40 2k4v h ILE 102 N -0.89 1.17 -0.06 2.25 2.04 -1.17 -1.30 117.51 119.55 2k4v h ILE 102 Ca -0.04 -0.33 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 2k4v h ILE 102 Cb 0.51 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2k4v h ILE 102 CO 0.06 0.17 -0.40 0.08 0.00 0.00 0.00 178.15 178.07 2k4v h ARG 103 N 0.95 0.13 -0.10 2.37 -0.00 -1.31 -0.11 114.38 116.30 2k4v h ARG 103 Ca 0.27 -0.06 -0.23 0.00 -0.00 0.00 0.00 59.98 59.96 2k4v h ARG 103 Cb -0.08 -0.00 0.01 0.00 -0.00 0.00 0.00 29.97 29.90 2k4v h ARG 103 CO -0.06 0.51 -0.83 0.00 -0.00 0.00 0.00 179.97 179.58 2k4v h ALA 104 N 1.49 0.24 -0.78 0.08 0.00 -1.26 -2.32 119.26 116.70 2k4v h ALA 104 Ca 0.01 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2k4v h ALA 104 Cb 0.75 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2k4v h ALA 104 CO 0.06 0.65 0.39 -0.22 0.00 0.00 0.00 179.25 180.13 2k4v h LYS 105 N 0.45 1.11 -0.69 0.00 1.63 -0.95 0.38 116.57 118.50 2k4v h LYS 105 Ca -0.08 -0.14 -0.05 0.00 -0.85 0.00 0.00 60.65 59.53 2k4v h LYS 105 Cb 1.48 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 2k4v h LYS 105 CO 0.17 0.84 0.25 -0.07 -3.45 0.00 0.00 179.45 177.18 2k4v h LEU 106 N 1.10 0.96 -1.36 5.20 -0.00 -1.03 -2.07 115.31 118.11 2k4v h LEU 106 Ca 0.27 -0.15 -0.07 0.00 -0.00 0.00 0.00 57.88 57.93 2k4v h LEU 106 Cb 0.08 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 40.48 2k4v h LEU 106 CO -0.04 0.88 -0.32 -0.74 -0.00 0.00 0.00 178.44 178.22 2k4v h HIS 107 N 1.01 0.00 0.00 1.13 2.76 -1.02 -3.47 115.15 115.56 2k4v h HIS 107 Ca 0.23 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 2k4v h HIS 107 Cb 0.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2k4v h HIS 107 CO 0.02 0.32 0.00 0.00 -1.30 0.00 0.00 177.93 176.97 2k4v n ALA 108 N -2.45 0.00 -3.59 5.26 0.00 0.09 -4.93 120.51 114.89 2k4v n ALA 108 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 2k4v n ALA 108 Cb 0.37 -0.29 -0.07 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 -3.10 -0.69 0.57 0.00 3.76 -1.20 -4.99 115.29 109.63 2k4v s HIS 109 Ca 0.00 1.52 0.26 0.00 -0.15 0.00 0.00 55.06 56.69 2k4v s HIS 109 Cb 0.00 0.33 1.63 0.00 1.11 0.00 0.00 32.58 35.66 2k4v s HIS 109 CO 0.00 -0.44 2.18 -1.35 -0.85 0.00 0.00 174.74 174.29 2k4v h PRO 110 N 4.13 0.00 0.00 8.40 0.11 -1.92 -3.47 132.00 139.26 2k4v h PRO 110 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2k4v h PRO 110 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k4v h PRO 110 CO 0.18 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.38 2k4v n GLY 111 N -1.41 2.92 3.71 -0.55 0.00 -1.26 -5.03 105.19 103.57 2k4v n GLY 111 Ca -0.01 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 4.51 -0.45 1.61 2.02 -1.26 -5.01 118.70 120.12 2k4v s GLU 112 Ca 0.00 1.32 -0.27 0.00 0.02 0.00 0.00 54.97 56.04 2k4v s GLU 112 Cb 0.00 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 2k4v s GLU 112 CO 0.00 -0.08 1.88 -1.25 0.02 0.00 0.00 175.26 175.83 2k4v s PRO 113 N 1.16 2.94 0.47 0.39 0.04 -1.26 -4.95 135.00 133.80 2k4v s PRO 113 Ca 0.49 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 2k4v s PRO 113 Cb -0.20 -4.31 -0.07 0.00 0.04 0.00 0.00 34.50 29.96 2k4v s PRO 113 CO 0.25 -2.33 1.38 0.54 0.04 0.00 0.00 177.00 176.87 2k4v s VAL 114 N 8.25 2.20 0.33 -0.36 0.11 -1.26 -4.73 120.40 124.94 2k4v s VAL 114 Ca 0.77 0.17 0.11 0.00 -2.93 0.00 0.00 61.98 60.09 2k4v s VAL 114 Cb -0.18 -3.10 0.05 0.00 -1.53 0.00 0.00 36.38 31.63 2k4v s VAL 114 CO 0.28 0.02 1.75 -2.24 -3.33 0.00 0.00 175.10 171.58 2k4v h ASP 115 N 2.11 0.07 0.25 3.54 2.03 -1.97 -0.89 116.42 121.55 2k4v h ASP 115 Ca -0.51 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 2k4v h ASP 115 Cb 1.27 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2k4v h ASP 115 CO 0.60 0.49 0.00 0.00 -1.03 0.00 0.00 179.24 179.30 2k4v n LEU 116 N -4.02 0.00 0.00 0.15 -0.00 -1.26 -2.52 117.00 109.35 2k4v n LEU 116 Ca -0.02 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.30 2k4v n LEU 116 Cb 0.47 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2k4v n LEU 116 CO 0.40 -0.18 -0.48 1.21 -0.00 0.00 0.00 177.39 178.34 2k4v n GLU 117 N -1.31 0.00 0.09 1.47 2.13 -0.87 -4.77 120.64 117.38 2k4v n GLU 117 Ca 0.06 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.81 2k4v n GLU 117 Cb 0.10 -0.80 0.03 0.00 0.27 0.00 0.00 31.44 31.04 2k4v n GLU 117 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2k4v h ARG 118 N 0.00 0.11 0.00 5.31 1.12 -1.18 -2.64 114.38 117.10 2k4v h ARG 118 Ca 0.00 -0.12 -0.09 0.00 -1.11 0.00 0.00 59.98 58.67 2k4v h ARG 118 Cb 0.96 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.94 2k4v h ARG 118 CO 0.00 0.86 -0.41 0.82 -3.11 0.00 0.00 179.97 178.13 2k4v h ILE 119 N 0.07 1.17 -2.08 1.20 1.08 -1.74 -3.39 117.51 113.83 2k4v h ILE 119 Ca -0.02 -1.47 -0.71 0.00 -0.39 0.00 0.00 64.86 62.27 2k4v h ILE 119 Cb 1.41 1.82 -0.16 0.00 -3.07 0.00 0.00 36.82 36.82 2k4v h ILE 119 CO 0.12 0.40 1.27 -0.63 -0.69 0.00 0.00 178.15 178.62 2k4v s ILE 120 N -3.93 4.80 0.00 -0.67 1.09 -1.00 -4.42 121.20 117.07 2k4v s ILE 120 Ca -0.02 -2.14 0.00 0.00 -1.10 0.00 0.00 60.65 57.39 2k4v s ILE 120 Cb 0.13 -4.90 0.00 0.00 -1.06 0.00 0.00 42.46 36.63 2k4v s ILE 120 CO 0.71 -1.64 0.00 0.54 -0.10 0.00 0.00 174.94 174.46 2k4v n ARG 121 N 6.34 0.00 -3.67 2.79 1.74 -1.26 -4.96 116.66 117.63 2k4v n ARG 121 Ca 0.33 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.33 2k4v n ARG 121 Cb 0.45 -0.60 -0.09 0.00 -1.02 0.00 0.00 32.46 31.20 2k4v n ARG 121 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2k4v s HIS 122 N -1.23 -0.78 -0.03 -1.55 3.76 -1.26 -5.18 115.29 109.02 2k4v s HIS 122 Ca 0.00 1.60 -0.25 0.00 -0.15 0.00 0.00 55.06 56.26 2k4v s HIS 122 Cb 0.00 0.40 0.05 0.00 1.11 0.00 0.00 32.58 34.15 2k4v s HIS 122 CO 0.00 -0.42 0.55 -1.83 -0.85 0.00 0.00 174.74 172.19 2k4v s GLU 123 N 1.59 0.93 0.00 1.40 4.04 -1.26 -5.08 118.70 120.31 2k4v s GLU 123 Ca -0.09 0.08 0.00 0.00 0.04 0.00 0.00 54.97 55.00 2k4v s GLU 123 Cb -0.08 0.43 0.00 0.00 0.02 0.00 0.00 34.13 34.51 2k4v s GLU 123 CO -0.15 -0.29 0.00 0.41 -1.84 0.00 0.00 175.26 173.39 2k4v n GLY 124 N 1.00 -1.23 0.23 -3.83 0.00 -1.26 -5.27 105.19 94.83 2k4v n GLY 124 Ca -0.20 0.44 0.15 0.00 0.00 0.00 0.00 46.02 46.41 2k4v n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76