#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dm4 s VAL 17 N 0.00 3.00 -0.94 1.39 1.01 -0.25 -3.58 120.40 121.03 1dm4 s VAL 17 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1dm4 s VAL 17 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1dm4 s VAL 17 CO 0.00 0.51 0.00 -0.62 0.00 0.00 0.00 175.10 174.99 1dm4 n GLU 18 N 3.89 -0.75 -0.29 2.72 -0.58 -1.26 -0.61 120.64 123.76 1dm4 n GLU 18 Ca -0.18 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.20 1dm4 n GLU 18 Cb 0.52 -4.64 0.00 0.00 -0.57 0.00 0.00 31.44 26.75 1dm4 n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dm4 n GLY 19 N -1.34 5.05 3.34 0.62 0.00 -1.26 -4.42 105.19 107.17 1dm4 n GLY 19 Ca -0.11 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1dm4 n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dm4 s SER 20 N -0.03 0.69 0.22 1.61 1.04 0.11 -4.89 113.70 112.44 1dm4 s SER 20 Ca 0.00 -1.45 -0.32 0.00 0.48 0.00 0.00 55.95 54.66 1dm4 s SER 20 Cb 0.00 0.51 -0.12 0.00 0.10 0.00 0.00 66.02 66.51 1dm4 s SER 20 CO 0.00 -1.04 1.72 0.47 0.98 0.00 0.00 173.24 175.37 1dm4 n ASP 21 N -0.87 4.00 -3.55 7.02 9.92 -1.26 0.88 116.55 132.70 1dm4 n ASP 21 Ca 0.03 1.07 -0.30 0.00 -0.53 0.00 0.00 54.79 55.05 1dm4 n ASP 21 Cb 0.64 -1.58 0.28 0.00 -0.64 0.00 0.00 41.12 39.81 1dm4 n ASP 21 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dm4 s ALA 22 N 1.08 -0.41 -0.05 2.24 0.00 0.27 -4.75 121.76 120.14 1dm4 s ALA 22 Ca 0.74 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1dm4 s ALA 22 Cb -0.50 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1dm4 s ALA 22 CO 0.33 -4.35 -0.24 -1.21 0.00 0.00 0.00 175.76 170.30 1dm4 s GLU 23 N -5.14 2.46 0.23 0.00 2.02 -1.26 -4.94 118.70 112.06 1dm4 s GLU 23 Ca 0.69 -0.89 -0.30 0.00 0.02 0.00 0.00 54.97 54.49 1dm4 s GLU 23 Cb -0.13 -2.17 -0.15 0.00 0.10 0.00 0.00 34.13 31.79 1dm4 s GLU 23 CO 0.58 0.45 1.11 -0.89 0.02 0.00 0.00 175.26 176.52 1dm4 n ILE 24 N 2.77 1.40 -1.21 -1.63 2.08 -1.26 -1.60 119.36 119.92 1dm4 n ILE 24 Ca -0.17 -0.35 -0.07 0.00 0.56 0.00 0.00 62.75 62.72 1dm4 n ILE 24 Cb 0.52 -0.96 -0.03 0.00 -0.75 0.00 0.00 39.64 38.41 1dm4 n ILE 24 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dm4 n GLY 25 N 1.68 0.78 0.12 7.39 0.00 -1.26 -4.85 105.19 109.05 1dm4 n GLY 25 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1dm4 n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1dm4 h MET 26 N 0.10 0.00 -2.04 1.61 -1.53 -1.66 -3.37 114.93 108.05 1dm4 h MET 26 Ca -0.15 0.00 -0.51 0.00 -3.44 0.00 0.00 59.70 55.60 1dm4 h MET 26 Cb 0.95 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 31.60 1dm4 h MET 26 CO 0.22 0.57 -1.11 0.43 0.14 0.00 0.00 176.91 177.16 1dm4 n SER 27 N -3.20 1.19 0.03 1.39 7.64 -1.26 -4.99 113.62 114.42 1dm4 n SER 27 Ca -0.00 -3.04 0.02 0.00 1.01 0.00 0.00 58.87 56.86 1dm4 n SER 27 Cb 0.79 -0.62 0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1dm4 n SER 27 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1dm4 n PRO 28 N 0.42 0.02 0.00 1.43 -0.01 -1.26 -0.64 135.00 134.97 1dm4 n PRO 28 Ca 0.25 0.46 0.09 0.00 -0.01 0.00 0.00 63.50 64.29 1dm4 n PRO 28 Cb 0.60 -1.67 0.06 0.00 -0.01 0.00 0.00 33.50 32.49 1dm4 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 175.50 172.82 1dm4 n TRP 29 N -1.57 0.00 -1.80 6.00 2.14 -1.12 -1.90 117.44 119.19 1dm4 n TRP 29 Ca -0.00 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.14 1dm4 n TRP 29 Cb 0.10 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.57 1dm4 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1dm4 s GLN 30 N -1.62 3.29 0.02 -2.67 2.00 0.19 -1.65 119.66 119.22 1dm4 s GLN 30 Ca 0.21 1.79 0.05 0.00 -2.00 0.00 0.00 55.36 55.40 1dm4 s GLN 30 Cb 0.15 -4.27 -0.03 0.00 0.80 0.00 0.00 33.01 29.66 1dm4 s GLN 30 CO 0.27 -1.91 -0.12 0.08 -0.50 0.00 0.00 175.29 173.10 1dm4 s VAL 31 N 7.40 3.23 -0.22 1.34 1.01 0.29 -4.35 120.40 129.10 1dm4 s VAL 31 Ca 0.90 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1dm4 s VAL 31 Cb -0.29 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1dm4 s VAL 31 CO 0.34 0.36 0.06 -0.32 0.00 0.00 0.00 175.10 175.54 1dm4 s MET 32 N -1.46 3.73 -0.39 2.72 1.75 -0.93 0.31 119.30 125.04 1dm4 s MET 32 Ca 0.16 -0.45 -0.22 0.00 -1.25 0.00 0.00 55.69 53.93 1dm4 s MET 32 Cb -0.11 -3.25 0.01 0.00 2.84 0.00 0.00 34.83 34.32 1dm4 s MET 32 CO 0.07 -0.03 0.70 -1.17 -0.65 0.00 0.00 175.02 173.94 1dm4 s LEU 33 N 1.18 4.26 -0.02 4.11 0.20 -0.10 -1.19 118.68 127.10 1dm4 s LEU 33 Ca 0.04 0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.97 1dm4 s LEU 33 Cb -0.14 -2.87 -0.03 0.00 -0.43 0.00 0.00 46.19 42.71 1dm4 s LEU 33 CO 0.03 -0.71 -0.06 0.12 -0.29 0.00 0.00 176.35 175.44 1dm4 s PHE 34 N 2.93 2.93 -0.15 5.38 5.36 0.13 -0.29 117.98 134.26 1dm4 s PHE 34 Ca 0.27 -0.00 -0.20 0.00 -0.96 0.00 0.00 56.93 56.04 1dm4 s PHE 34 Cb -0.14 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1dm4 s PHE 34 CO 0.17 0.37 0.57 0.50 -1.46 0.00 0.00 175.22 175.37 1dm4 s ARG 35 N -1.20 4.29 0.07 10.12 3.52 0.73 -1.25 118.95 135.23 1dm4 s ARG 35 Ca 0.15 0.57 -0.22 0.00 -0.13 0.00 0.00 55.73 56.11 1dm4 s ARG 35 Cb -0.11 -3.51 -0.13 0.00 -1.56 0.00 0.00 34.95 29.64 1dm4 s ARG 35 CO 0.05 -0.05 1.60 0.87 -0.81 0.00 0.00 175.30 176.97 1dm4 h LYS 36 N 7.11 0.15 -0.68 5.12 1.57 -1.63 -1.58 116.57 126.64 1dm4 h LYS 36 Ca -0.36 -0.03 0.20 0.00 -1.87 0.00 0.00 60.65 58.59 1dm4 h LYS 36 Cb 1.17 -0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.22 1dm4 h LYS 36 CO 0.76 0.28 0.22 0.45 -0.57 0.00 0.00 179.45 180.59 1dm4 s SER 36 N -5.50 -0.50 0.12 0.86 0.15 -1.26 -3.55 113.70 104.01 1dm4 s SER 36 Ca -0.14 0.55 -0.31 0.00 0.70 0.00 0.00 55.95 56.75 1dm4 s SER 36 Cb 0.06 1.51 -0.09 0.00 -1.71 0.00 0.00 66.02 65.79 1dm4 s SER 36 CO 0.69 -0.10 1.63 -2.16 1.20 0.00 0.00 173.24 174.50 1dm4 s PRO 37 N 2.56 4.20 -0.59 5.44 0.04 -1.26 -5.03 135.00 140.36 1dm4 s PRO 37 Ca -0.01 2.37 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 1dm4 s PRO 37 Cb -0.07 -3.39 -0.10 0.00 0.04 0.00 0.00 34.50 30.98 1dm4 s PRO 37 CO -0.16 -0.69 2.45 1.04 0.04 0.00 0.00 177.00 179.69 1dm4 n GLN 38 N 4.85 0.85 -4.05 4.56 6.02 -1.22 -4.65 117.38 123.75 1dm4 n GLN 38 Ca 0.15 -0.08 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 1dm4 n GLN 38 Cb 0.39 -3.20 -0.10 0.00 1.02 0.00 0.00 30.24 28.35 1dm4 n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1dm4 s GLU 39 N 8.42 0.54 -0.02 -1.09 -1.05 -0.60 -4.93 118.70 119.97 1dm4 s GLU 39 Ca 1.03 -1.03 -0.20 0.00 -0.15 0.00 0.00 54.97 54.62 1dm4 s GLU 39 Cb -0.31 0.19 -0.05 0.00 -0.44 0.00 0.00 34.13 33.51 1dm4 s GLU 39 CO 0.28 -0.10 0.56 -1.17 0.95 0.00 0.00 175.26 175.78 1dm4 s LEU 40 N -2.50 4.40 -0.01 1.83 2.96 -1.26 0.26 118.68 124.36 1dm4 s LEU 40 Ca 0.00 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1dm4 s LEU 40 Cb 0.03 -2.86 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1dm4 s LEU 40 CO -0.07 0.10 0.04 0.00 -1.32 0.00 0.00 176.35 175.10 1dm4 n LEU 41 N 2.80 0.00 0.00 -0.68 -0.00 0.61 -4.88 117.00 114.84 1dm4 n LEU 41 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1dm4 n LEU 41 Cb 0.51 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.95 1dm4 n LEU 41 CO 0.43 0.01 0.00 0.00 -0.00 0.00 0.00 177.39 177.83 1dm4 s GLY 43 N -0.95 1.82 0.14 0.00 0.00 -0.98 -0.92 107.32 106.43 1dm4 s GLY 43 Ca 0.00 -1.87 -0.13 0.00 0.00 0.00 0.00 44.72 42.72 1dm4 s GLY 43 CO 0.00 -1.63 0.62 0.00 0.00 0.00 0.00 173.10 172.09 1dm4 n ALA 44 N -0.51 -1.59 -2.17 3.20 0.00 0.15 -2.80 120.51 116.78 1dm4 n ALA 44 Ca -0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 53.44 52.66 1dm4 n ALA 44 Cb 0.66 0.41 -0.10 0.00 0.00 0.00 0.00 19.45 20.42 1dm4 n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dm4 s SER 45 N -2.49 1.10 -0.23 0.00 1.04 0.10 -0.55 113.70 112.68 1dm4 s SER 45 Ca 0.14 -1.03 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 1dm4 s SER 45 Cb -0.02 0.11 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 1dm4 s SER 45 CO 0.04 -0.49 0.27 -0.22 0.98 0.00 0.00 173.24 173.82 1dm4 s LEU 46 N -3.05 4.13 -0.00 2.42 0.20 -0.66 -1.40 118.68 120.31 1dm4 s LEU 46 Ca 0.13 0.29 0.08 0.00 0.69 0.00 0.00 54.13 55.32 1dm4 s LEU 46 Cb 0.06 -2.29 -0.10 0.00 -0.43 0.00 0.00 46.19 43.42 1dm4 s LEU 46 CO -0.04 -0.01 0.28 2.30 -0.29 0.00 0.00 176.35 178.59 1dm4 n ILE 47 N 4.36 0.00 -2.54 6.68 -5.35 -1.06 -2.06 119.36 119.38 1dm4 n ILE 47 Ca -0.12 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1dm4 n ILE 47 Cb 0.52 0.75 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1dm4 n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1dm4 n SER 48 N -1.40 0.00 -0.06 7.28 3.41 -1.24 -4.78 113.62 116.82 1dm4 n SER 48 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1dm4 n SER 48 Cb 0.16 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.24 1dm4 n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1dm4 n ASP 49 N 0.00 0.82 -0.09 4.04 3.85 -1.26 -4.38 116.55 119.53 1dm4 n ASP 49 Ca 0.00 -0.64 0.01 0.00 -0.71 0.00 0.00 54.79 53.45 1dm4 n ASP 49 Cb 0.00 0.49 0.02 0.00 -1.35 0.00 0.00 41.12 40.27 1dm4 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1dm4 n ARG 50 N -1.31 1.04 -4.56 0.11 1.74 -1.26 0.19 116.66 112.61 1dm4 n ARG 50 Ca 0.06 -1.12 -0.23 0.00 -0.77 0.00 0.00 57.85 55.79 1dm4 n ARG 50 Cb 0.34 -0.76 -0.16 0.00 -1.02 0.00 0.00 32.46 30.86 1dm4 n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1dm4 s TRP 51 N -0.63 1.30 -0.03 -1.55 0.52 -1.26 -1.85 118.94 115.44 1dm4 s TRP 51 Ca 0.04 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1dm4 s TRP 51 Cb 0.03 -0.92 -0.01 0.00 -1.15 0.00 0.00 33.47 31.43 1dm4 s TRP 51 CO 0.00 -0.17 -0.15 0.08 0.02 0.00 0.00 176.95 176.73 1dm4 s VAL 52 N 0.30 1.24 -0.11 4.03 1.01 0.12 -2.57 120.40 124.42 1dm4 s VAL 52 Ca -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1dm4 s VAL 52 Cb -0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1dm4 s VAL 52 CO 0.02 0.36 0.10 -0.22 0.00 0.00 0.00 175.10 175.36 1dm4 s LEU 53 N -0.13 4.15 0.00 3.92 2.96 -0.49 -0.08 118.68 129.00 1dm4 s LEU 53 Ca 0.01 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.18 1dm4 s LEU 53 Cb -0.08 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.65 1dm4 s LEU 53 CO 0.01 0.40 0.67 1.07 -1.32 0.00 0.00 176.35 177.17 1dm4 n THR 54 N 2.01 0.00 -3.21 3.68 5.66 -0.66 -0.72 114.28 121.03 1dm4 n THR 54 Ca -0.19 -1.06 -0.39 0.00 -3.05 0.00 0.00 64.05 59.36 1dm4 n THR 54 Cb 0.55 0.93 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 1dm4 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1dm4 s ALA 55 N -2.13 3.53 0.31 1.79 0.00 -1.26 -1.45 121.76 122.55 1dm4 s ALA 55 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.21 1dm4 s ALA 55 Cb -0.04 -2.72 0.56 0.00 0.00 0.00 0.00 23.12 20.93 1dm4 s ALA 55 CO 0.13 0.29 1.92 0.00 0.00 0.00 0.00 175.76 178.09 1dm4 h ALA 56 N 5.00 1.54 0.00 0.00 0.00 -1.76 0.10 119.26 124.14 1dm4 h ALA 56 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1dm4 h ALA 56 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dm4 h ALA 56 CO 0.66 0.32 0.00 -2.39 0.00 0.00 0.00 179.25 177.85 1dm4 n HIS 57 N -4.49 0.00 0.12 0.00 1.44 -1.26 0.13 115.22 111.16 1dm4 n HIS 57 Ca 0.13 0.00 -0.18 0.00 -2.01 0.00 0.00 57.72 55.66 1dm4 n HIS 57 Cb 0.21 -0.25 -0.15 0.00 0.12 0.00 0.00 29.99 29.92 1dm4 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1dm4 n LEU 59 N -3.58 2.07 -3.84 0.00 4.77 -0.61 -4.91 117.00 110.89 1dm4 n LEU 59 Ca -0.11 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 1dm4 n LEU 59 Cb 1.05 -0.89 -0.16 0.00 -2.33 0.00 0.00 43.42 41.08 1dm4 n LEU 59 CO 0.56 0.53 -0.40 -0.22 -1.33 0.00 0.00 177.39 176.53 1dm4 s LEU 60 N -7.50 1.54 0.22 2.23 2.96 0.35 -2.17 118.68 116.31 1dm4 s LEU 60 Ca -0.34 -0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 52.78 1dm4 s LEU 60 Cb 0.11 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.96 1dm4 s LEU 60 CO 0.55 -0.23 0.24 -0.47 -1.32 0.00 0.00 176.35 175.12 1dm4 s TYR 60 N 1.70 0.94 0.00 5.38 5.04 -1.17 -4.01 117.35 125.23 1dm4 s TYR 60 Ca -0.01 -1.20 0.00 0.00 -2.44 0.00 0.00 57.07 53.43 1dm4 s TYR 60 Cb -0.16 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 41.81 1dm4 s TYR 60 CO -0.07 -0.75 0.00 -2.30 -1.34 0.00 0.00 175.55 171.08 1dm4 n PRO 60 N -0.31 0.00 0.00 4.97 -0.01 -1.26 -1.72 135.00 136.67 1dm4 n PRO 60 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.50 1dm4 n PRO 60 Cb 0.65 -0.37 0.00 0.00 -0.01 0.00 0.00 33.50 33.77 1dm4 n PRO 60 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 175.50 176.40 1dm4 n TRP 60 N 0.37 0.00 -2.78 6.00 7.02 -1.26 -4.97 117.44 121.82 1dm4 n TRP 60 Ca 0.00 -0.08 -0.21 0.00 -1.02 0.00 0.00 57.50 56.19 1dm4 n TRP 60 Cb 0.00 -0.01 0.02 0.00 -2.42 0.00 0.00 31.31 28.90 1dm4 n TRP 60 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1dm4 n ASP 60 N -0.08 -5.93 -4.80 -0.99 10.43 -1.18 -4.96 116.55 109.03 1dm4 n ASP 60 Ca 0.00 -0.19 -0.39 0.00 2.57 0.00 0.00 54.79 56.78 1dm4 n ASP 60 Cb 0.08 -4.82 -0.06 0.00 1.84 0.00 0.00 41.12 38.16 1dm4 n ASP 60 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1dm4 s LYS 60 N -5.44 4.27 -0.32 -1.24 1.02 -0.70 -4.97 119.74 112.36 1dm4 s LYS 60 Ca 0.19 0.79 -0.04 0.00 0.02 0.00 0.00 55.97 56.94 1dm4 s LYS 60 Cb -0.09 -3.26 0.27 0.00 -0.52 0.00 0.00 37.83 34.23 1dm4 s LYS 60 CO 0.24 0.59 1.25 -1.71 -0.92 0.00 0.00 175.35 174.80 1dm4 n ASN 60 N 1.85 -1.17 -4.92 2.83 5.15 -1.21 -3.03 115.26 114.76 1dm4 n ASN 60 Ca -0.09 -1.49 -0.26 0.00 -0.60 0.00 0.00 54.58 52.14 1dm4 n ASN 60 Cb 0.50 0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 40.36 1dm4 n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1dm4 s PHE 60 N 0.22 3.53 0.16 1.20 0.08 -0.92 -5.02 117.98 117.22 1dm4 s PHE 60 Ca 0.25 0.60 0.06 0.00 0.12 0.00 0.00 56.93 57.97 1dm4 s PHE 60 Cb 0.19 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1dm4 s PHE 60 CO -0.07 -0.06 0.03 0.99 -0.10 0.00 0.00 175.22 176.01 1dm4 s THR 60 N -2.49 3.94 -1.28 0.64 2.01 -1.26 -4.86 115.64 112.35 1dm4 s THR 60 Ca 0.44 -1.28 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1dm4 s THR 60 Cb -0.10 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1dm4 s THR 60 CO 0.39 -0.08 0.18 -1.84 -0.69 0.00 0.00 174.62 172.59 1dm4 n GLU 61 N -0.07 0.00 -0.10 4.92 0.00 -1.26 -1.87 120.64 122.26 1dm4 n GLU 61 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 57.16 56.93 1dm4 n GLU 61 Cb 0.55 -1.29 -0.11 0.00 0.00 0.00 0.00 31.44 30.58 1dm4 n GLU 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1dm4 n ASN 62 N -0.61 1.89 0.00 -1.84 3.02 -1.26 -4.22 115.26 112.24 1dm4 n ASN 62 Ca 0.00 -0.09 0.10 0.00 -0.03 0.00 0.00 54.58 54.56 1dm4 n ASN 62 Cb 0.00 -0.02 0.48 0.00 -0.61 0.00 0.00 39.78 39.63 1dm4 n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1dm4 n ASP 63 N -3.01 0.00 -4.47 6.41 10.43 -0.78 -4.88 116.55 120.24 1dm4 n ASP 63 Ca -0.36 0.15 -0.23 0.00 2.57 0.00 0.00 54.79 56.91 1dm4 n ASP 63 Cb 0.95 -0.35 -0.10 0.00 1.84 0.00 0.00 41.12 43.46 1dm4 n ASP 63 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1dm4 s LEU 64 N -2.70 2.60 -0.03 0.64 1.02 -1.25 -1.81 118.68 117.15 1dm4 s LEU 64 Ca 0.16 -1.16 -0.06 0.00 0.02 0.00 0.00 54.13 53.09 1dm4 s LEU 64 Cb 0.13 -0.85 0.01 0.00 0.02 0.00 0.00 46.19 45.50 1dm4 s LEU 64 CO 0.32 -0.22 0.15 -0.22 0.02 0.00 0.00 176.35 176.40 1dm4 s LEU 65 N -3.51 1.46 -0.10 1.79 2.96 -0.38 -4.51 118.68 116.39 1dm4 s LEU 65 Ca 0.30 0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 1dm4 s LEU 65 Cb 0.02 0.61 -0.03 0.00 0.50 0.00 0.00 46.19 47.28 1dm4 s LEU 65 CO 0.14 -0.20 -0.02 0.54 -1.32 0.00 0.00 176.35 175.49 1dm4 s VAL 66 N -0.57 4.11 -0.21 1.68 0.11 -0.51 0.19 120.40 125.19 1dm4 s VAL 66 Ca -0.07 -0.31 -0.05 0.00 -2.93 0.00 0.00 61.98 58.61 1dm4 s VAL 66 Cb -0.04 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.05 1dm4 s VAL 66 CO 0.01 0.58 0.01 -0.13 -3.33 0.00 0.00 175.10 172.24 1dm4 s ARG 67 N -0.61 3.63 0.03 1.54 0.52 -0.33 -1.10 118.95 122.62 1dm4 s ARG 67 Ca 0.10 -0.51 0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1dm4 s ARG 67 Cb -0.12 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.20 1dm4 s ARG 67 CO 0.02 -0.02 -0.24 0.42 0.02 0.00 0.00 175.30 175.50 1dm4 s ILE 68 N 1.09 2.32 0.00 1.52 1.01 0.48 -2.19 121.20 125.43 1dm4 s ILE 68 Ca 0.03 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1dm4 s ILE 68 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1dm4 s ILE 68 CO 0.02 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1dm4 n GLY 69 N 1.86 0.75 3.91 6.18 0.00 -1.26 0.20 105.19 116.82 1dm4 n GLY 69 Ca -0.17 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.01 1dm4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm4 s LYS 70 N -1.36 3.36 0.07 1.61 1.02 -1.26 -4.59 119.74 118.58 1dm4 s LYS 70 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 55.97 56.08 1dm4 s LYS 70 Cb 0.00 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.94 1dm4 s LYS 70 CO 0.00 -0.32 0.00 1.58 -0.92 0.00 0.00 175.35 175.69 1dm4 n HIS 71 N -2.31 -0.41 -2.58 3.18 -0.00 -1.26 -4.94 115.22 106.89 1dm4 n HIS 71 Ca 0.01 0.07 -0.35 0.00 -0.00 0.00 0.00 57.72 57.46 1dm4 n HIS 71 Cb 0.56 0.21 -0.04 0.00 -0.00 0.00 0.00 29.99 30.71 1dm4 n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1dm4 s SER 72 N -5.25 6.59 0.35 0.26 0.15 -1.26 -1.39 113.70 113.16 1dm4 s SER 72 Ca 0.00 1.94 0.23 0.00 0.70 0.00 0.00 55.95 58.82 1dm4 s SER 72 Cb 0.00 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 62.06 1dm4 s SER 72 CO 0.00 -0.60 1.50 -0.09 1.20 0.00 0.00 173.24 175.25 1dm4 h ARG 73 N 2.00 0.00 0.00 5.44 2.43 -1.79 -3.43 114.38 119.04 1dm4 h ARG 73 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1dm4 h ARG 73 Cb 1.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1dm4 h ARG 73 CO 0.61 0.00 -0.25 2.41 -1.51 0.00 0.00 179.97 181.22 1dm4 n THR 74 N -2.89 0.50 -1.52 0.20 -1.04 -1.26 -5.06 114.28 103.21 1dm4 n THR 74 Ca 0.03 0.17 -0.38 0.00 -2.04 0.00 0.00 64.05 61.83 1dm4 n THR 74 Cb 0.52 -1.19 0.04 0.00 -1.82 0.00 0.00 70.33 67.88 1dm4 n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1dm4 n ARG 75 N -3.24 0.63 -2.98 -2.82 3.00 -1.26 -4.92 116.66 105.07 1dm4 n ARG 75 Ca 0.00 0.25 -0.43 0.00 -0.01 0.00 0.00 57.85 57.66 1dm4 n ARG 75 Cb 0.13 -1.87 -0.06 0.00 0.00 0.00 0.00 32.46 30.66 1dm4 n ARG 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1dm4 s TYR 76 N -1.65 2.99 -1.11 -1.55 5.04 -1.26 -4.83 117.35 114.98 1dm4 s TYR 76 Ca 0.72 0.09 -0.18 0.00 -2.44 0.00 0.00 57.07 55.26 1dm4 s TYR 76 Cb -0.43 -3.65 0.11 0.00 0.35 0.00 0.00 41.96 38.34 1dm4 s TYR 76 CO 0.51 -1.00 1.41 -1.21 -1.34 0.00 0.00 175.55 173.92 1dm4 s GLU 77 N 3.25 3.83 0.00 4.97 2.02 -1.26 -4.96 118.70 126.55 1dm4 s GLU 77 Ca 0.28 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1dm4 s GLU 77 Cb -0.13 -5.18 0.00 0.00 0.10 0.00 0.00 34.13 28.93 1dm4 s GLU 77 CO 0.21 -1.96 0.20 0.54 0.02 0.00 0.00 175.26 174.28 1dm4 n ARG 77 N 7.12 0.00 0.00 1.61 1.74 -1.26 0.16 116.66 126.03 1dm4 n ARG 77 Ca 0.35 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 1dm4 n ARG 77 Cb 0.47 -0.43 0.46 0.00 -1.02 0.00 0.00 32.46 31.94 1dm4 n ARG 77 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1dm4 n ASN 78 N -0.65 0.91 0.02 0.55 5.03 -1.26 -4.33 115.26 115.53 1dm4 n ASN 78 Ca 0.00 -0.86 -0.21 0.00 0.87 0.00 0.00 54.58 54.38 1dm4 n ASN 78 Cb 0.00 0.06 -0.14 0.00 -1.02 0.00 0.00 39.78 38.68 1dm4 n ASN 78 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1dm4 h ILE 79 N 1.13 1.21 -3.78 2.41 6.09 -1.48 -3.47 117.51 119.63 1dm4 h ILE 79 Ca 0.00 -2.45 -0.47 0.00 -1.37 0.00 0.00 64.86 60.57 1dm4 h ILE 79 Cb 0.46 2.89 0.07 0.00 0.47 0.00 0.00 36.82 40.71 1dm4 h ILE 79 CO 0.00 0.70 0.22 -1.83 -3.07 0.00 0.00 178.15 174.17 1dm4 s GLU 80 N -2.46 2.52 -0.08 2.19 -1.05 0.43 -4.76 118.70 115.50 1dm4 s GLU 80 Ca -0.18 -0.10 -0.02 0.00 -0.15 0.00 0.00 54.97 54.52 1dm4 s GLU 80 Cb 0.03 -2.20 0.03 0.00 -0.44 0.00 0.00 34.13 31.55 1dm4 s GLU 80 CO 0.79 -1.02 0.01 0.15 0.95 0.00 0.00 175.26 176.14 1dm4 s LYS 81 N -5.16 0.51 -0.05 -4.83 1.02 0.13 -4.94 119.74 106.42 1dm4 s LYS 81 Ca 0.58 0.11 -0.23 0.00 0.02 0.00 0.00 55.97 56.44 1dm4 s LYS 81 Cb -0.11 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1dm4 s LYS 81 CO 0.45 -0.34 0.70 0.42 -0.92 0.00 0.00 175.35 175.67 1dm4 s ILE 82 N 2.00 5.01 0.10 2.17 -1.09 -1.26 -0.39 121.20 127.73 1dm4 s ILE 82 Ca 0.05 1.46 0.07 0.00 -2.23 0.00 0.00 60.65 59.99 1dm4 s ILE 82 Cb -0.13 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.68 1dm4 s ILE 82 CO -0.05 0.27 -0.17 -0.44 -1.23 0.00 0.00 174.94 173.31 1dm4 s SER 83 N 0.66 2.18 0.17 3.58 0.01 -0.26 -5.00 113.70 115.04 1dm4 s SER 83 Ca 0.37 -0.69 0.05 0.00 1.31 0.00 0.00 55.95 57.00 1dm4 s SER 83 Cb -0.18 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1dm4 s SER 83 CO 0.19 -0.02 0.14 -0.04 0.41 0.00 0.00 173.24 173.91 1dm4 s MET 84 N -2.00 2.88 -0.11 12.44 1.00 -1.26 -1.43 119.30 130.82 1dm4 s MET 84 Ca 0.04 -0.90 -0.16 0.00 0.00 0.00 0.00 55.69 54.68 1dm4 s MET 84 Cb -0.09 -2.62 -0.05 0.00 0.00 0.00 0.00 34.83 32.07 1dm4 s MET 84 CO 0.04 0.48 0.39 -0.51 0.00 0.00 0.00 175.02 175.41 1dm4 s LEU 85 N -3.16 4.31 -0.15 -0.03 1.43 -1.26 -0.32 118.68 119.50 1dm4 s LEU 85 Ca 0.31 0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1dm4 s LEU 85 Cb -0.10 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1dm4 s LEU 85 CO 0.23 0.12 -0.12 -0.08 0.23 0.00 0.00 176.35 176.73 1dm4 h GLU 86 N 6.20 0.00 -4.15 1.70 4.57 0.12 -3.42 114.58 119.60 1dm4 h GLU 86 Ca -0.44 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 1dm4 h GLU 86 Cb 1.18 0.00 -0.17 0.00 -0.16 0.00 0.00 28.75 29.60 1dm4 h GLU 86 CO 0.72 0.12 -0.68 0.21 -1.18 0.00 0.00 179.01 178.19 1dm4 s LYS 87 N -2.21 0.51 -0.05 1.92 2.36 -1.22 -4.98 119.74 116.08 1dm4 s LYS 87 Ca -0.15 -1.02 0.06 0.00 -2.55 0.00 0.00 55.97 52.31 1dm4 s LYS 87 Cb 0.02 0.18 -0.01 0.00 -1.05 0.00 0.00 37.83 36.97 1dm4 s LYS 87 CO 0.25 -0.09 -0.24 0.42 1.55 0.00 0.00 175.35 177.23 1dm4 s ILE 88 N -3.11 1.97 -0.20 5.43 1.01 -1.26 -0.51 121.20 124.52 1dm4 s ILE 88 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 1dm4 s ILE 88 Cb 0.02 -1.66 0.06 0.00 0.01 0.00 0.00 42.46 40.89 1dm4 s ILE 88 CO -0.07 0.55 -0.02 -0.31 0.00 0.00 0.00 174.94 175.09 1dm4 s TYR 89 N -0.25 1.75 0.09 3.97 1.51 0.21 -4.98 117.35 119.65 1dm4 s TYR 89 Ca -0.00 -1.28 -0.11 0.00 -1.01 0.00 0.00 57.07 54.67 1dm4 s TYR 89 Cb -0.12 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.34 1dm4 s TYR 89 CO 0.02 -0.68 0.43 0.42 -1.11 0.00 0.00 175.55 174.63 1dm4 s ILE 90 N 1.61 5.05 0.09 2.71 -1.09 -1.26 -0.87 121.20 127.45 1dm4 s ILE 90 Ca -0.03 0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 58.62 1dm4 s ILE 90 Cb -0.17 -3.66 -0.09 0.00 -1.58 0.00 0.00 42.46 36.95 1dm4 s ILE 90 CO -0.07 0.28 1.72 -2.28 -1.23 0.00 0.00 174.94 173.36 1dm4 s HIS 91 N -1.41 2.33 0.59 3.97 2.46 -1.10 -4.83 115.29 117.31 1dm4 s HIS 91 Ca 0.34 0.19 0.29 0.00 0.47 0.00 0.00 55.06 56.35 1dm4 s HIS 91 Cb -0.14 -4.05 1.47 0.00 -0.13 0.00 0.00 32.58 29.73 1dm4 s HIS 91 CO 0.18 -4.25 1.88 -1.35 -2.47 0.00 0.00 174.74 168.74 1dm4 h PRO 92 N 8.38 0.00 -1.56 2.88 0.11 -1.95 -2.61 132.00 137.26 1dm4 h PRO 92 Ca -0.44 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 1dm4 h PRO 92 Cb 1.21 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.90 1dm4 h PRO 92 CO 0.94 0.00 -0.86 0.54 -0.21 0.00 0.00 178.00 178.41 1dm4 n ARG 93 N -3.66 2.69 -3.31 1.05 1.74 -1.26 -5.01 116.66 108.89 1dm4 n ARG 93 Ca 0.08 -4.19 -0.39 0.00 -0.77 0.00 0.00 57.85 52.57 1dm4 n ARG 93 Cb 0.67 -1.97 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 1dm4 n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1dm4 s TYR 94 N -3.35 3.25 -0.41 -1.55 5.04 -0.98 -4.62 117.35 114.73 1dm4 s TYR 94 Ca 0.43 0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 55.48 1dm4 s TYR 94 Cb 0.39 -2.65 0.07 0.00 0.35 0.00 0.00 41.96 40.12 1dm4 s TYR 94 CO -0.12 -0.26 0.24 1.21 -1.34 0.00 0.00 175.55 175.29 1dm4 s ASN 95 N 1.60 5.65 0.03 4.32 3.84 -0.60 -4.98 114.94 124.80 1dm4 s ASN 95 Ca 0.18 -1.38 0.17 0.00 0.21 0.00 0.00 52.86 52.04 1dm4 s ASN 95 Cb -0.16 -1.99 -0.16 0.00 -0.55 0.00 0.00 41.25 38.39 1dm4 s ASN 95 CO 0.10 -0.50 0.73 -2.67 -2.79 0.00 0.00 177.10 171.97 1dm4 n TRP 96 N 4.93 0.85 -0.10 0.43 4.27 -1.26 -0.89 117.44 125.67 1dm4 n TRP 96 Ca -0.11 0.28 -0.07 0.00 -3.89 0.00 0.00 57.50 53.72 1dm4 n TRP 96 Cb 0.44 -1.06 0.11 0.00 -1.36 0.00 0.00 31.31 29.44 1dm4 n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1dm4 h ARG 97 N 0.00 0.79 0.00 -2.67 3.08 -2.01 -3.43 114.38 110.14 1dm4 h ARG 97 Ca -0.19 -0.28 -0.13 0.00 0.07 0.00 0.00 59.98 59.45 1dm4 h ARG 97 Cb 1.63 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 1dm4 h ARG 97 CO 0.04 0.89 -1.20 -1.91 -1.07 0.00 0.00 179.97 176.72 1dm4 n GLU 97 N -4.15 0.35 0.00 0.04 2.13 -1.26 -4.98 120.64 112.77 1dm4 n GLU 97 Ca 0.01 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1dm4 n GLU 97 Cb 0.39 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 31.00 1dm4 n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1dm4 n ASN 98 N -3.96 0.00 -1.05 4.31 6.94 -1.25 -4.68 115.26 115.58 1dm4 n ASN 98 Ca -0.20 -0.42 -0.08 0.00 -0.02 0.00 0.00 54.58 53.87 1dm4 n ASN 98 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1dm4 n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1dm4 n LEU 99 N 0.00 -1.58 -4.73 -4.53 4.32 -0.07 -4.94 117.00 105.46 1dm4 n LEU 99 Ca 0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 56.01 55.53 1dm4 n LEU 99 Cb 0.10 -1.43 -0.04 0.00 -1.62 0.00 0.00 43.42 40.43 1dm4 n LEU 99 CO 0.00 -0.02 0.82 -0.62 -1.22 0.00 0.00 177.39 176.35 1dm4 s ASP 100 N -2.73 7.20 -0.65 -1.43 -1.08 -1.20 -3.20 116.67 113.58 1dm4 s ASP 100 Ca 0.04 2.11 -0.00 0.00 -0.52 0.00 0.00 52.55 54.18 1dm4 s ASP 100 Cb -0.02 -2.60 -0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1dm4 s ASP 100 CO 0.05 -0.28 0.55 0.54 0.52 0.00 0.00 175.17 176.54 1dm4 n ARG 101 N 2.59 -3.40 -2.79 4.34 1.74 -1.26 -1.55 116.66 116.32 1dm4 n ARG 101 Ca 0.04 0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 57.16 1dm4 n ARG 101 Cb 0.46 -4.31 -0.03 0.00 -1.02 0.00 0.00 32.46 27.57 1dm4 n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1dm4 s ASP 102 N -3.69 6.59 -0.14 0.55 2.15 -1.19 -4.03 116.67 116.90 1dm4 s ASP 102 Ca 0.03 -1.86 -0.28 0.00 0.43 0.00 0.00 52.55 50.87 1dm4 s ASP 102 Cb -0.00 -2.46 0.07 0.00 -0.30 0.00 0.00 42.92 40.23 1dm4 s ASP 102 CO 0.40 -1.22 0.69 -0.51 -0.17 0.00 0.00 175.17 174.37 1dm4 s ILE 103 N 3.48 0.00 -0.11 4.11 2.07 -1.26 -4.37 121.20 125.12 1dm4 s ILE 103 Ca 0.38 -0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 59.36 1dm4 s ILE 103 Cb -0.03 -0.99 0.06 0.00 0.13 0.00 0.00 42.46 41.63 1dm4 s ILE 103 CO -0.09 -0.00 0.61 0.00 -1.91 0.00 0.00 174.94 173.55 1dm4 s ALA 104 N -0.55 -1.56 0.17 1.50 0.00 -0.53 -2.71 121.76 118.08 1dm4 s ALA 104 Ca -0.06 1.36 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1dm4 s ALA 104 Cb -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1dm4 s ALA 104 CO 0.06 -0.33 0.00 -0.51 0.00 0.00 0.00 175.76 174.99 1dm4 s LEU 105 N -0.66 3.34 -0.02 0.00 1.43 -0.05 -1.66 118.68 121.08 1dm4 s LEU 105 Ca -0.07 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1dm4 s LEU 105 Cb -0.02 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1dm4 s LEU 105 CO 0.06 0.10 -0.03 -0.04 0.23 0.00 0.00 176.35 176.66 1dm4 s MET 106 N -2.89 0.43 -0.19 1.70 -1.94 0.88 0.64 119.30 117.92 1dm4 s MET 106 Ca 0.27 -0.08 -0.07 0.00 -1.71 0.00 0.00 55.69 54.10 1dm4 s MET 106 Cb -0.10 -0.48 -0.04 0.00 2.01 0.00 0.00 34.83 36.23 1dm4 s MET 106 CO 0.19 -0.01 0.06 0.21 -0.01 0.00 0.00 175.02 175.46 1dm4 s LYS 107 N 0.43 3.92 0.24 2.03 2.20 0.33 0.12 119.74 129.00 1dm4 s LYS 107 Ca -0.05 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1dm4 s LYS 107 Cb -0.08 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 1dm4 s LYS 107 CO -0.01 0.21 1.15 -0.51 -0.36 0.00 0.00 175.35 175.83 1dm4 s LEU 108 N 0.54 4.50 0.48 5.43 1.43 -0.77 0.16 118.68 130.45 1dm4 s LEU 108 Ca 0.03 2.26 0.17 0.00 -1.03 0.00 0.00 54.13 55.56 1dm4 s LEU 108 Cb -0.13 -3.62 1.18 0.00 0.03 0.00 0.00 46.19 43.65 1dm4 s LEU 108 CO 0.01 -0.26 2.05 0.11 0.23 0.00 0.00 176.35 178.48 1dm4 h LYS 109 N 4.47 0.19 -4.07 1.70 1.57 -0.94 -3.41 116.57 116.08 1dm4 h LYS 109 Ca -0.46 -0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.10 1dm4 h LYS 109 Cb 1.21 -0.04 -0.23 0.00 0.08 0.00 0.00 32.23 33.25 1dm4 h LYS 109 CO 0.70 0.12 -0.72 0.15 -0.57 0.00 0.00 179.45 179.14 1dm4 s LYS 110 N -5.20 0.30 0.39 3.15 1.02 -1.26 -4.95 119.74 113.18 1dm4 s LYS 110 Ca -0.06 -0.48 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 1dm4 s LYS 110 Cb 0.19 -0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.37 1dm4 s LYS 110 CO 0.72 -0.01 1.19 -1.25 -0.92 0.00 0.00 175.35 175.08 1dm4 s PRO 111 N -1.07 4.08 0.38 -1.68 0.05 -1.26 -4.74 135.00 130.77 1dm4 s PRO 111 Ca -0.10 1.90 -0.07 0.00 0.05 0.00 0.00 61.00 62.77 1dm4 s PRO 111 Cb -0.07 -2.73 -0.05 0.00 0.05 0.00 0.00 34.50 31.70 1dm4 s PRO 111 CO -0.00 -0.31 0.70 0.54 0.05 0.00 0.00 177.00 177.97 1dm4 s VAL 112 N -1.37 4.90 -0.32 -0.36 0.11 0.50 -4.94 120.40 118.92 1dm4 s VAL 112 Ca 0.56 0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 59.80 1dm4 s VAL 112 Cb -0.32 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.74 1dm4 s VAL 112 CO 0.41 -0.54 0.20 0.00 -3.33 0.00 0.00 175.10 171.84 1dm4 s ALA 113 N -2.37 3.42 0.92 1.54 0.00 -1.26 -4.82 121.76 119.19 1dm4 s ALA 113 Ca 0.48 -1.34 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 1dm4 s ALA 113 Cb -0.10 -2.52 0.05 0.00 0.00 0.00 0.00 23.12 20.55 1dm4 s ALA 113 CO 0.34 -0.88 0.60 1.19 0.00 0.00 0.00 175.76 177.01 1dm4 n PHE 114 N 5.05 -0.83 -2.41 0.00 3.72 -1.26 -4.89 117.46 116.84 1dm4 n PHE 114 Ca -0.13 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 1dm4 n PHE 114 Cb 0.50 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.19 1dm4 n PHE 114 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1dm4 n SER 115 N -1.87 0.00 0.00 4.37 3.41 0.19 -4.91 113.62 114.81 1dm4 n SER 115 Ca 0.08 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.49 1dm4 n SER 115 Cb 0.53 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 65.05 1dm4 n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1dm4 n ASP 116 N -0.30 0.00 0.00 4.04 10.43 -1.26 -3.65 116.55 125.81 1dm4 n ASP 116 Ca 0.00 0.40 0.00 0.00 2.57 0.00 0.00 54.79 57.76 1dm4 n ASP 116 Cb 0.00 -0.47 0.00 0.00 1.84 0.00 0.00 41.12 42.49 1dm4 n ASP 116 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1dm4 n TYR 117 N -1.47 0.00 -3.91 1.24 4.02 -1.26 -4.64 117.16 111.13 1dm4 n TYR 117 Ca 0.07 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.67 1dm4 n TYR 117 Cb 0.29 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.45 1dm4 n TYR 117 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1dm4 s ILE 118 N -0.97 1.36 -0.01 -0.72 1.01 -1.24 -4.35 121.20 116.29 1dm4 s ILE 118 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1dm4 s ILE 118 Cb 0.00 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.95 1dm4 s ILE 118 CO 0.00 -0.05 0.86 -2.28 0.00 0.00 0.00 174.94 173.47 1dm4 s HIS 119 N 1.49 -0.38 0.13 3.97 2.46 -0.80 0.55 115.29 122.71 1dm4 s HIS 119 Ca -0.04 0.31 -0.08 0.00 0.47 0.00 0.00 55.06 55.73 1dm4 s HIS 119 Cb -0.18 0.53 -0.06 0.00 -0.13 0.00 0.00 32.58 32.74 1dm4 s HIS 119 CO -0.07 -0.56 0.42 -1.25 -2.47 0.00 0.00 174.74 170.81 1dm4 s PRO 120 N -2.89 3.71 0.59 2.88 0.05 -1.26 -2.80 135.00 135.29 1dm4 s PRO 120 Ca 0.03 0.09 -0.07 0.00 0.05 0.00 0.00 61.00 61.10 1dm4 s PRO 120 Cb -0.01 -2.87 -0.00 0.00 0.05 0.00 0.00 34.50 31.66 1dm4 s PRO 120 CO -0.07 0.48 0.92 0.54 0.05 0.00 0.00 177.00 178.92 1dm4 s VAL 121 N -1.58 3.96 0.09 -0.36 0.11 -0.88 -4.97 120.40 116.78 1dm4 s VAL 121 Ca 0.39 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.67 1dm4 s VAL 121 Cb -0.13 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1dm4 s VAL 121 CO 0.21 -0.63 0.12 0.00 -3.33 0.00 0.00 175.10 171.47 1dm4 s LEU 123 N -2.56 4.33 0.67 0.00 1.43 -1.26 -0.80 118.68 120.49 1dm4 s LEU 123 Ca 0.31 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.70 1dm4 s LEU 123 Cb -0.12 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1dm4 s LEU 123 CO 0.23 0.39 1.11 -2.16 0.23 0.00 0.00 176.35 176.16 1dm4 s PRO 124 N -1.10 2.71 0.20 1.29 0.04 -1.26 -4.94 135.00 131.94 1dm4 s PRO 124 Ca 0.16 1.39 0.05 0.00 0.04 0.00 0.00 61.00 62.64 1dm4 s PRO 124 Cb -0.12 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1dm4 s PRO 124 CO 0.05 -1.32 0.19 0.16 0.04 0.00 0.00 177.00 176.12 1dm4 s ASP 125 N -2.63 5.69 0.04 6.66 3.84 -1.26 -4.91 116.67 124.10 1dm4 s ASP 125 Ca 0.67 -0.12 -0.07 0.00 -0.00 0.00 0.00 52.55 53.03 1dm4 s ASP 125 Cb -0.21 -1.52 -0.02 0.00 -1.38 0.00 0.00 42.92 39.80 1dm4 s ASP 125 CO 0.43 0.02 0.41 -1.14 -0.00 0.00 0.00 175.17 174.89 1dm4 n ARG 126 N -0.73 -0.10 -0.30 2.11 0.63 -1.26 -0.45 116.66 116.56 1dm4 n ARG 126 Ca -0.08 0.40 0.01 0.00 -0.92 0.00 0.00 57.85 57.26 1dm4 n ARG 126 Cb 0.56 -0.60 0.14 0.00 0.45 0.00 0.00 32.46 33.01 1dm4 n ARG 126 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1dm4 h GLU 127 N 0.00 0.88 -1.77 -0.14 9.09 -2.05 -2.89 114.58 117.70 1dm4 h GLU 127 Ca 0.04 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.39 1dm4 h GLU 127 Cb 0.09 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1dm4 h GLU 127 CO -0.22 0.58 0.00 2.41 0.05 0.00 0.00 179.01 181.84 1dm4 n THR 128 N -4.66 0.90 0.00 -1.06 -1.04 0.40 -2.13 114.28 106.70 1dm4 n THR 128 Ca 0.12 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1dm4 n THR 128 Cb 0.19 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 1dm4 n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dm4 n ALA 129 N 1.31 0.00 -0.04 2.41 0.00 -1.09 -1.49 120.51 121.60 1dm4 n ALA 129 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1dm4 n ALA 129 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.70 1dm4 n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1dm4 h SER 129 N 0.00 -0.58 0.29 0.00 0.02 -1.73 -3.32 113.55 108.23 1dm4 h SER 129 Ca 0.00 0.08 -0.34 0.00 -0.84 0.00 0.00 61.79 60.69 1dm4 h SER 129 Cb 0.00 0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.79 1dm4 h SER 129 CO 0.00 -0.13 -1.63 -0.07 -1.14 0.00 0.00 176.83 173.86 1dm4 h LEU 129 N -0.13 0.60 -8.07 5.07 3.38 -1.55 -3.43 115.31 111.18 1dm4 h LEU 129 Ca 0.02 -0.81 -0.41 0.00 0.09 0.00 0.00 57.88 56.77 1dm4 h LEU 129 Cb 0.19 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1dm4 h LEU 129 CO -0.18 1.67 1.19 -0.76 0.09 0.00 0.00 178.44 180.45 1dm4 s LEU 130 N -7.26 3.28 -0.04 1.67 1.43 -1.25 -4.76 118.68 111.75 1dm4 s LEU 130 Ca -0.12 -1.39 -0.02 0.00 -1.03 0.00 0.00 54.13 51.57 1dm4 s LEU 130 Cb 0.06 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.72 1dm4 s LEU 130 CO 0.87 -2.42 0.08 -1.10 0.23 0.00 0.00 176.35 174.01 1dm4 s GLN 131 N 6.09 0.05 0.19 1.70 -0.21 -1.26 -4.84 119.66 121.38 1dm4 s GLN 131 Ca 0.63 0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.90 1dm4 s GLN 131 Cb -0.02 -0.10 -0.16 0.00 1.00 0.00 0.00 33.01 33.73 1dm4 s GLN 131 CO 0.04 -0.10 1.01 0.00 -2.12 0.00 0.00 175.29 174.12 1dm4 n ALA 132 N 3.68 -1.22 0.00 6.09 0.00 -1.26 -0.77 120.51 127.04 1dm4 n ALA 132 Ca -0.21 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1dm4 n ALA 132 Cb 0.55 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.06 1dm4 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm4 n GLY 133 N 1.79 2.96 3.77 0.00 0.00 -0.53 -4.96 105.19 108.22 1dm4 n GLY 133 Ca 0.15 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1dm4 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dm4 s TYR 134 N -2.39 2.92 0.34 1.61 1.51 0.05 -4.62 117.35 116.78 1dm4 s TYR 134 Ca 0.00 1.47 -0.05 0.00 -1.01 0.00 0.00 57.07 57.47 1dm4 s TYR 134 Cb 0.00 -3.57 -0.05 0.00 -0.11 0.00 0.00 41.96 38.23 1dm4 s TYR 134 CO 0.00 -1.80 0.62 0.15 -1.11 0.00 0.00 175.55 173.42 1dm4 s LYS 135 N -2.22 3.63 0.27 -0.62 1.02 -1.26 -0.40 119.74 120.15 1dm4 s LYS 135 Ca 0.56 0.07 0.04 0.00 0.02 0.00 0.00 55.97 56.67 1dm4 s LYS 135 Cb -0.36 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.33 1dm4 s LYS 135 CO 0.45 0.10 0.01 0.20 -0.92 0.00 0.00 175.35 175.20 1dm4 s GLY 136 N -3.40 1.78 -0.14 -3.33 0.00 0.23 -4.82 107.32 97.64 1dm4 s GLY 136 Ca 0.45 -1.89 0.02 0.00 0.00 0.00 0.00 44.72 43.30 1dm4 s GLY 136 CO 0.33 -1.74 -0.22 -1.60 0.00 0.00 0.00 173.10 169.87 1dm4 s ARG 137 N -3.86 2.99 -0.13 2.90 6.06 0.55 -1.08 118.95 126.38 1dm4 s ARG 137 Ca 0.32 -0.84 0.01 0.00 -2.50 0.00 0.00 55.73 52.71 1dm4 s ARG 137 Cb 0.06 -2.43 0.02 0.00 0.06 0.00 0.00 34.95 32.67 1dm4 s ARG 137 CO 0.12 -0.03 -0.14 0.08 -2.50 0.00 0.00 175.30 172.82 1dm4 s VAL 138 N 0.85 1.54 0.06 7.11 1.01 -0.88 0.27 120.40 130.36 1dm4 s VAL 138 Ca -0.06 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1dm4 s VAL 138 Cb -0.15 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1dm4 s VAL 138 CO -0.03 0.45 -0.24 0.42 0.00 0.00 0.00 175.10 175.70 1dm4 s THR 139 N 1.31 1.99 0.05 3.92 -4.23 -1.21 -1.38 115.64 116.08 1dm4 s THR 139 Ca 0.01 -1.37 -0.28 0.00 -1.18 0.00 0.00 61.69 58.87 1dm4 s THR 139 Cb -0.14 -1.72 0.09 0.00 1.34 0.00 0.00 72.50 72.08 1dm4 s THR 139 CO -0.07 0.27 0.95 -0.83 -0.54 0.00 0.00 174.62 174.40 1dm4 s GLY 140 N -1.32 -0.37 -0.13 3.99 0.00 -0.86 -4.36 107.32 104.28 1dm4 s GLY 140 Ca 0.10 0.67 0.15 0.00 0.00 0.00 0.00 44.72 45.64 1dm4 s GLY 140 CO 0.02 0.20 1.36 0.79 0.00 0.00 0.00 173.10 175.48 1dm4 n TRP 141 N -0.34 0.77 -0.90 1.90 8.01 -1.26 -0.83 117.44 124.79 1dm4 n TRP 141 Ca -0.07 -0.77 -0.22 0.00 -1.31 0.00 0.00 57.50 55.12 1dm4 n TRP 141 Cb 0.61 -0.23 0.19 0.00 -2.01 0.00 0.00 31.31 29.87 1dm4 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1dm4 n GLY 142 N -0.27 -2.71 3.70 6.99 0.00 -1.25 -4.45 105.19 107.21 1dm4 n GLY 142 Ca 0.18 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 1dm4 n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dm4 n ASN 143 N -4.40 1.56 0.03 1.61 3.02 0.71 -3.04 115.26 114.74 1dm4 n ASN 143 Ca 0.11 0.75 0.12 0.00 -0.03 0.00 0.00 54.58 55.53 1dm4 n ASN 143 Cb 0.44 -1.52 0.17 0.00 -0.61 0.00 0.00 39.78 38.26 1dm4 n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1dm4 n LEU 144 N -2.14 0.60 -3.55 3.41 4.77 0.36 0.10 117.00 120.55 1dm4 n LEU 144 Ca 0.15 0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1dm4 n LEU 144 Cb 0.49 -0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1dm4 n LEU 144 CO 0.48 0.04 0.47 -0.54 -1.33 0.00 0.00 177.39 176.50 1dm4 s LYS 145 N -3.11 0.96 0.29 3.23 3.01 -1.26 -4.35 119.74 118.51 1dm4 s LYS 145 Ca 0.08 0.44 -0.01 0.00 -1.01 0.00 0.00 55.97 55.46 1dm4 s LYS 145 Cb 0.15 0.46 0.64 0.00 -1.01 0.00 0.00 37.83 38.07 1dm4 s LYS 145 CO 0.73 -0.26 1.52 -1.91 0.51 0.00 0.00 175.35 175.95 1dm4 n GLU 146 N 1.36 -0.08 -2.85 1.68 2.13 -1.26 -4.92 120.64 116.70 1dm4 n GLU 146 Ca -0.17 1.48 0.03 0.00 0.66 0.00 0.00 57.16 59.16 1dm4 n GLU 146 Cb 0.57 -2.30 0.01 0.00 0.27 0.00 0.00 31.44 29.98 1dm4 n GLU 146 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1dm4 s THR 147 N -6.06 -0.09 0.00 6.31 -1.32 -1.26 -4.93 115.64 108.29 1dm4 s THR 147 Ca -0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 1dm4 s THR 147 Cb 0.28 -0.03 0.00 0.00 -1.51 0.00 0.00 72.50 71.24 1dm4 s THR 147 CO 0.76 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.78 1dm4 n GLY 150 N 4.07 -0.13 3.89 6.08 0.00 -1.26 -5.11 105.19 112.74 1dm4 n GLY 150 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1dm4 n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dm4 s GLN 151 N -0.75 3.31 0.89 1.61 -2.07 -1.26 0.14 119.66 121.52 1dm4 s GLN 151 Ca 0.00 -0.53 -0.12 0.00 -1.82 0.00 0.00 55.36 52.89 1dm4 s GLN 151 Cb 0.00 -2.95 0.17 0.00 -1.09 0.00 0.00 33.01 29.14 1dm4 s GLN 151 CO 0.00 0.58 1.23 -1.25 -1.32 0.00 0.00 175.29 174.53 1dm4 s PRO 152 N -2.63 1.01 0.02 9.60 0.04 -1.26 -4.93 135.00 136.86 1dm4 s PRO 152 Ca 0.34 -0.51 0.20 0.00 0.04 0.00 0.00 61.00 61.06 1dm4 s PRO 152 Cb -0.12 -1.97 -0.19 0.00 0.04 0.00 0.00 34.50 32.26 1dm4 s PRO 152 CO 0.27 -2.11 0.63 0.45 0.04 0.00 0.00 177.00 176.28 1dm4 n SER 153 N -3.51 0.44 -4.11 6.66 2.88 -1.26 -4.79 113.62 109.93 1dm4 n SER 153 Ca 0.14 0.18 -0.13 0.00 -1.33 0.00 0.00 58.87 57.74 1dm4 n SER 153 Cb 0.60 0.95 -0.11 0.00 -0.75 0.00 0.00 64.21 64.89 1dm4 n SER 153 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1dm4 s VAL 154 N -3.13 0.69 0.16 2.46 1.01 -1.26 -2.46 120.40 117.86 1dm4 s VAL 154 Ca -0.05 -1.38 -0.34 0.00 0.00 0.00 0.00 61.98 60.20 1dm4 s VAL 154 Cb 0.10 -1.01 -0.15 0.00 0.00 0.00 0.00 36.38 35.32 1dm4 s VAL 154 CO 0.84 -0.51 1.38 -0.11 0.00 0.00 0.00 175.10 176.70 1dm4 n LEU 155 N 0.96 2.33 -4.93 3.92 7.94 -0.49 -4.75 117.00 121.98 1dm4 n LEU 155 Ca -0.19 1.12 -0.27 0.00 -1.11 0.00 0.00 56.01 55.56 1dm4 n LEU 155 Cb 0.56 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.17 1dm4 n LEU 155 CO 0.24 -0.77 -0.11 -1.10 -1.11 0.00 0.00 177.39 174.53 1dm4 s GLN 156 N 0.23 3.40 0.02 1.96 -1.52 -0.01 0.96 119.66 124.70 1dm4 s GLN 156 Ca 0.77 -0.59 0.03 0.00 -1.95 0.00 0.00 55.36 53.62 1dm4 s GLN 156 Cb -0.79 -2.96 -0.02 0.00 -0.22 0.00 0.00 33.01 29.03 1dm4 s GLN 156 CO 0.46 0.54 -0.10 0.08 -0.25 0.00 0.00 175.29 176.02 1dm4 s VAL 157 N -1.70 0.76 -0.16 1.09 1.01 0.25 -2.02 120.40 119.64 1dm4 s VAL 157 Ca 0.34 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 1dm4 s VAL 157 Cb -0.11 -0.70 0.06 0.00 0.00 0.00 0.00 36.38 35.62 1dm4 s VAL 157 CO 0.28 -0.02 0.36 0.54 0.00 0.00 0.00 175.10 176.26 1dm4 s VAL 158 N -0.70 -0.15 -0.18 2.92 0.11 -0.48 0.06 120.40 121.98 1dm4 s VAL 158 Ca -0.01 0.13 -0.16 0.00 -2.93 0.00 0.00 61.98 59.01 1dm4 s VAL 158 Cb -0.06 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1dm4 s VAL 158 CO 0.00 0.05 0.41 0.20 -3.33 0.00 0.00 175.10 172.44 1dm4 s ASN 159 N 1.62 6.50 0.04 3.54 0.01 -1.26 -2.06 114.94 123.33 1dm4 s ASN 159 Ca -0.08 0.59 -0.01 0.00 -0.71 0.00 0.00 52.86 52.66 1dm4 s ASN 159 Cb -0.10 -2.24 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 1dm4 s ASN 159 CO -0.11 -0.05 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.65 1dm4 s LEU 160 N 1.08 2.34 0.01 0.60 1.43 -0.24 -4.89 118.68 119.02 1dm4 s LEU 160 Ca 0.21 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.39 1dm4 s LEU 160 Cb -0.15 0.19 -0.06 0.00 0.03 0.00 0.00 46.19 46.21 1dm4 s LEU 160 CO 0.08 -0.48 0.41 -2.16 0.23 0.00 0.00 176.35 174.43 1dm4 s PRO 161 N -2.88 3.90 0.59 1.29 0.04 -1.26 0.74 135.00 137.42 1dm4 s PRO 161 Ca -0.03 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.21 1dm4 s PRO 161 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1dm4 s PRO 161 CO -0.06 0.68 1.24 -0.89 0.04 0.00 0.00 177.00 178.01 1dm4 n ILE 162 N 1.72 4.21 -4.22 0.56 5.41 0.46 -2.79 119.36 124.72 1dm4 n ILE 162 Ca -0.13 -0.50 -0.27 0.00 1.00 0.00 0.00 62.75 62.84 1dm4 n ILE 162 Cb 0.52 -1.47 -0.08 0.00 -0.71 0.00 0.00 39.64 37.89 1dm4 n ILE 162 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1dm4 s VAL 163 N -1.37 3.56 0.08 1.39 1.01 0.23 -1.46 120.40 123.85 1dm4 s VAL 163 Ca 0.77 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.03 1dm4 s VAL 163 Cb -0.41 -2.75 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 1dm4 s VAL 163 CO 0.45 -0.05 1.47 -1.61 0.00 0.00 0.00 175.10 175.37 1dm4 s GLU 164 N -2.73 4.27 0.05 2.72 8.01 -1.26 -4.52 118.70 125.24 1dm4 s GLU 164 Ca 0.26 2.14 -0.09 0.00 0.01 0.00 0.00 54.97 57.28 1dm4 s GLU 164 Cb -0.10 -3.39 -0.02 0.00 -4.31 0.00 0.00 34.13 26.31 1dm4 s GLU 164 CO 0.17 -0.56 0.62 0.54 0.01 0.00 0.00 175.26 176.04 1dm4 n ARG 165 N 4.64 -0.13 -0.14 1.61 5.12 -1.26 0.13 116.66 126.63 1dm4 n ARG 165 Ca 0.13 0.61 -0.03 0.00 -1.93 0.00 0.00 57.85 56.63 1dm4 n ARG 165 Cb 0.42 -0.90 0.04 0.00 -1.16 0.00 0.00 32.46 30.85 1dm4 n ARG 165 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1dm4 h PRO 166 N 0.00 0.09 -0.62 5.56 0.11 -1.98 0.45 132.00 135.61 1dm4 h PRO 166 Ca 0.05 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.18 1dm4 h PRO 166 Cb 0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 1dm4 h PRO 166 CO -0.29 0.06 0.38 0.28 -0.21 0.00 0.00 178.00 178.22 1dm4 h VAL 167 N 0.09 1.06 -0.28 3.15 2.07 0.65 -0.74 116.25 122.25 1dm4 h VAL 167 Ca 0.22 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1dm4 h VAL 167 Cb 0.33 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 1dm4 h VAL 167 CO -0.39 0.13 -0.16 0.00 0.02 0.00 0.00 177.57 177.18 1dm4 h LYS 169 N -0.13 0.00 0.00 0.00 1.57 -0.01 -2.42 116.57 115.59 1dm4 h LYS 169 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1dm4 h LYS 169 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1dm4 h LYS 169 CO -0.36 0.08 -0.31 -0.25 -0.57 0.00 0.00 179.45 178.04 1dm4 n ASP 170 N -3.94 0.67 0.01 0.86 10.43 -0.37 -3.70 116.55 120.50 1dm4 n ASP 170 Ca -0.02 0.31 -0.02 0.00 2.57 0.00 0.00 54.79 57.63 1dm4 n ASP 170 Cb 0.17 -0.28 -0.10 0.00 1.84 0.00 0.00 41.12 42.75 1dm4 n ASP 170 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1dm4 n SER 171 N -2.08 0.80 -4.21 -2.24 3.41 -0.91 -4.98 113.62 103.42 1dm4 n SER 171 Ca 0.05 0.36 -0.17 0.00 -0.26 0.00 0.00 58.87 58.84 1dm4 n SER 171 Cb 0.42 0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 1dm4 n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1dm4 s THR 172 N -2.85 1.18 -0.61 6.66 -1.32 -1.22 -4.94 115.64 112.54 1dm4 s THR 172 Ca -0.04 -1.58 0.24 0.00 -1.21 0.00 0.00 61.69 59.11 1dm4 s THR 172 Cb 0.08 -1.36 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 1dm4 s THR 172 CO 0.82 -0.39 1.34 0.03 -2.21 0.00 0.00 174.62 174.20 1dm4 h ARG 173 N 3.76 0.00 -7.22 7.08 3.08 -1.94 -3.46 114.38 115.68 1dm4 h ARG 173 Ca -0.40 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.14 1dm4 h ARG 173 Cb 1.19 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.38 1dm4 h ARG 173 CO 0.48 0.00 0.35 0.42 -1.07 0.00 0.00 179.97 180.15 1dm4 s ILE 174 N -3.18 2.86 -1.38 2.04 -1.09 -1.26 -4.94 121.20 114.25 1dm4 s ILE 174 Ca 0.06 0.37 -0.11 0.00 -2.23 0.00 0.00 60.65 58.74 1dm4 s ILE 174 Cb 0.13 -2.84 0.10 0.00 -1.58 0.00 0.00 42.46 38.26 1dm4 s ILE 174 CO 0.72 -0.27 2.12 -1.14 -1.23 0.00 0.00 174.94 175.13 1dm4 n ARG 175 N -2.90 3.38 -1.48 2.79 0.63 -1.26 -4.99 116.66 112.83 1dm4 n ARG 175 Ca 0.11 -3.06 -0.58 0.00 -0.92 0.00 0.00 57.85 53.40 1dm4 n ARG 175 Cb 0.52 -3.05 -0.08 0.00 0.45 0.00 0.00 32.46 30.30 1dm4 n ARG 175 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1dm4 n ILE 176 N 3.96 0.00 -4.16 5.15 -0.00 -1.26 -4.89 119.36 118.16 1dm4 n ILE 176 Ca 0.49 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.97 1dm4 n ILE 176 Cb 0.36 -0.08 -0.05 0.00 -0.00 0.00 0.00 39.64 39.87 1dm4 n ILE 176 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1dm4 s THR 177 N 0.48 1.89 -0.19 1.39 -4.23 -1.26 -5.02 115.64 108.69 1dm4 s THR 177 Ca 0.89 -1.68 0.22 0.00 -1.18 0.00 0.00 61.69 59.95 1dm4 s THR 177 Cb -1.25 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 70.25 1dm4 s THR 177 CO 0.59 0.00 1.69 0.47 -0.54 0.00 0.00 174.62 176.82 1dm4 n ASP 178 N -1.42 0.59 -1.70 3.99 9.92 -1.26 -2.85 116.55 123.82 1dm4 n ASP 178 Ca -0.05 0.77 0.06 0.00 -0.53 0.00 0.00 54.79 55.04 1dm4 n ASP 178 Cb 0.65 -0.85 0.35 0.00 -0.64 0.00 0.00 41.12 40.64 1dm4 n ASP 178 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1dm4 n ASN 179 N -2.28 5.09 -3.92 -2.24 3.02 -1.26 -4.93 115.26 108.73 1dm4 n ASN 179 Ca -0.01 -2.78 -0.13 0.00 -0.03 0.00 0.00 54.58 51.63 1dm4 n ASN 179 Cb 0.05 -0.65 -0.08 0.00 -0.61 0.00 0.00 39.78 38.48 1dm4 n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1dm4 s MET 180 N -2.48 1.43 0.19 3.52 -1.94 -1.13 -2.22 119.30 116.66 1dm4 s MET 180 Ca 0.48 -1.65 -0.16 0.00 -1.71 0.00 0.00 55.69 52.64 1dm4 s MET 180 Cb 0.36 0.33 0.02 0.00 2.01 0.00 0.00 34.83 37.55 1dm4 s MET 180 CO 0.15 -0.52 0.48 -0.59 -0.01 0.00 0.00 175.02 174.53 1dm4 s PHE 181 N -3.90 -0.02 0.08 -0.03 -0.12 0.20 -4.74 117.98 109.45 1dm4 s PHE 181 Ca 0.36 -0.33 0.06 0.00 -0.05 0.00 0.00 56.93 56.97 1dm4 s PHE 181 Cb 0.04 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.70 1dm4 s PHE 181 CO 0.15 -0.88 -0.16 0.00 -0.05 0.00 0.00 175.22 174.28 1dm4 s ALA 183 N -1.24 -0.56 0.00 0.00 0.00 -0.52 0.76 121.76 120.20 1dm4 s ALA 183 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1dm4 s ALA 183 Cb -0.10 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1dm4 s ALA 183 CO 0.03 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1dm4 n GLY 184 N -0.17 3.14 3.76 0.00 0.00 -1.12 -1.67 105.19 109.13 1dm4 n GLY 184 Ca -0.14 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 1dm4 n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dm4 s TYR 184 N -2.03 2.56 0.42 1.61 1.51 -1.26 -4.59 117.35 115.57 1dm4 s TYR 184 Ca 0.00 1.24 0.01 0.00 -1.01 0.00 0.00 57.07 57.31 1dm4 s TYR 184 Cb 0.00 -3.13 -0.01 0.00 -0.11 0.00 0.00 41.96 38.71 1dm4 s TYR 184 CO 0.00 -2.07 0.64 0.15 -1.11 0.00 0.00 175.55 173.16 1dm4 s LYS 185 N -5.02 3.17 0.17 -0.62 1.02 -1.26 -4.84 119.74 112.36 1dm4 s LYS 185 Ca 0.62 -0.47 -0.15 0.00 0.02 0.00 0.00 55.97 56.00 1dm4 s LYS 185 Cb -0.16 -2.59 0.11 0.00 -0.52 0.00 0.00 37.83 34.66 1dm4 s LYS 185 CO 0.56 -0.16 1.75 -1.00 -0.92 0.00 0.00 175.35 175.58 1dm4 h PRO 186 N 0.50 0.32 0.00 -1.68 0.14 -1.95 -2.06 132.00 127.26 1dm4 h PRO 186 Ca -0.47 -0.02 0.00 0.00 0.14 0.00 0.00 66.00 65.65 1dm4 h PRO 186 Cb 1.24 -0.07 0.00 0.00 0.14 0.00 0.00 31.00 32.31 1dm4 h PRO 186 CO 0.58 0.21 0.00 -0.40 0.14 0.00 0.00 178.00 178.53 1dm4 n ASP 186 N -5.00 0.00 -0.22 1.44 5.75 -1.26 -3.57 116.55 113.69 1dm4 n ASP 186 Ca 0.03 0.35 0.12 0.00 -0.01 0.00 0.00 54.79 55.28 1dm4 n ASP 186 Cb 0.15 -0.41 0.24 0.00 -1.03 0.00 0.00 41.12 40.07 1dm4 n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1dm4 n GLU 186 N -1.41 0.67 -4.03 0.11 1.02 -0.77 -5.02 120.64 111.21 1dm4 n GLU 186 Ca 0.03 -0.45 -0.39 0.00 -0.02 0.00 0.00 57.16 56.34 1dm4 n GLU 186 Cb 0.10 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1dm4 n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dm4 n GLY 186 N 1.40 -0.67 3.56 0.62 0.00 -1.23 -4.96 105.19 103.90 1dm4 n GLY 186 Ca 0.10 0.27 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1dm4 n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm4 s LYS 186 N -7.03 0.67 0.02 1.61 1.02 -1.26 -5.19 119.74 109.58 1dm4 s LYS 186 Ca 0.40 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1dm4 s LYS 186 Cb -0.22 0.17 -0.00 0.00 -0.52 0.00 0.00 37.83 37.25 1dm4 s LYS 186 CO 0.79 -0.14 0.00 2.89 -0.92 0.00 0.00 175.35 177.98 1dm4 n ARG 187 N 3.91 1.46 0.00 1.68 1.85 -1.26 -4.55 116.66 119.76 1dm4 n ARG 187 Ca -0.19 -0.18 0.00 0.00 -1.00 0.00 0.00 57.85 56.48 1dm4 n ARG 187 Cb 0.57 0.07 0.00 0.00 -1.05 0.00 0.00 32.46 32.05 1dm4 n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1dm4 n GLY 188 N 3.53 4.04 3.65 2.89 0.00 -1.24 -4.85 105.19 113.21 1dm4 n GLY 188 Ca -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 46.02 44.49 1dm4 n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dm4 s ASP 189 N 0.00 -0.12 0.27 1.61 3.68 0.22 -4.64 116.67 117.68 1dm4 s ASP 189 Ca 0.00 -0.19 -0.10 0.00 2.13 0.00 0.00 52.55 54.39 1dm4 s ASP 189 Cb 0.00 0.27 -0.07 0.00 -1.45 0.00 0.00 42.92 41.67 1dm4 s ASP 189 CO 0.00 -0.49 0.60 0.00 0.13 0.00 0.00 175.17 175.41 1dm4 s ALA 190 N -2.72 3.52 0.00 3.66 0.00 -1.26 -1.09 121.76 123.86 1dm4 s ALA 190 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1dm4 s ALA 190 Cb 0.02 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.65 1dm4 s ALA 190 CO -0.03 0.41 0.00 0.00 0.00 0.00 0.00 175.76 176.14 1dm4 s GLU 192 N 1.96 4.33 0.00 0.00 2.12 -1.26 -2.83 118.70 123.01 1dm4 s GLU 192 Ca 0.00 1.37 0.00 0.00 0.36 0.00 0.00 54.97 56.70 1dm4 s GLU 192 Cb 0.00 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1dm4 s GLU 192 CO 0.00 0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.16 1dm4 n GLY 193 N 0.23 0.76 0.10 -1.50 0.00 -1.26 0.25 105.19 103.77 1dm4 n GLY 193 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1dm4 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dm4 n ASP 194 N 0.00 0.94 -4.63 1.61 10.43 -1.13 -3.85 116.55 119.92 1dm4 n ASP 194 Ca 0.00 -0.04 -0.43 0.00 2.57 0.00 0.00 54.79 56.89 1dm4 n ASP 194 Cb 0.00 0.53 -0.00 0.00 1.84 0.00 0.00 41.12 43.49 1dm4 n ASP 194 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1dm4 n ALA 195 N -2.86 0.38 0.00 2.24 0.00 -1.24 -1.73 120.51 117.31 1dm4 n ALA 195 Ca -0.34 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1dm4 n ALA 195 Cb 1.06 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1dm4 n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dm4 n GLY 196 N 1.07 2.92 3.63 0.00 0.00 0.08 -2.31 105.19 110.58 1dm4 n GLY 196 Ca 0.08 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1dm4 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dm4 n GLY 197 N 0.00 -0.64 3.92 -0.02 0.00 -0.70 -3.57 105.19 104.19 1dm4 n GLY 197 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1dm4 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dm4 s PRO 198 N -4.49 3.51 -0.37 1.61 0.04 -1.26 0.46 135.00 134.51 1dm4 s PRO 198 Ca 0.66 -0.34 -0.05 0.00 0.04 0.00 0.00 61.00 61.31 1dm4 s PRO 198 Cb -0.23 -2.90 0.08 0.00 0.04 0.00 0.00 34.50 31.49 1dm4 s PRO 198 CO 0.59 0.47 0.15 0.12 0.04 0.00 0.00 177.00 178.37 1dm4 s PHE 199 N -1.73 3.40 0.21 0.56 5.36 -0.85 -3.33 117.98 121.59 1dm4 s PHE 199 Ca 0.38 -1.92 0.09 0.00 -0.96 0.00 0.00 56.93 54.52 1dm4 s PHE 199 Cb -0.12 -2.72 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1dm4 s PHE 199 CO 0.28 -0.86 -0.08 0.14 -1.46 0.00 0.00 175.22 173.23 1dm4 s VAL 200 N 1.27 3.17 0.02 3.12 -7.23 0.77 -0.01 120.40 121.51 1dm4 s VAL 200 Ca 0.02 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1dm4 s VAL 200 Cb -0.22 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.09 1dm4 s VAL 200 CO -0.01 -0.21 -0.03 0.00 -0.31 0.00 0.00 175.10 174.54 1dm4 s MET 201 N -3.12 0.33 -0.35 4.82 0.23 -0.57 0.20 119.30 120.85 1dm4 s MET 201 Ca 0.27 -0.60 -0.04 0.00 -1.03 0.00 0.00 55.69 54.28 1dm4 s MET 201 Cb -0.08 0.05 0.06 0.00 -1.53 0.00 0.00 34.83 33.34 1dm4 s MET 201 CO 0.16 -0.03 0.11 0.21 -2.03 0.00 0.00 175.02 173.44 1dm4 s LYS 202 N -1.41 2.42 0.33 3.16 2.20 -1.26 0.06 119.74 125.24 1dm4 s LYS 202 Ca -0.15 -1.38 -0.29 0.00 -0.36 0.00 0.00 55.97 53.80 1dm4 s LYS 202 Cb -0.10 -3.43 -0.12 0.00 -1.51 0.00 0.00 37.83 32.68 1dm4 s LYS 202 CO -0.01 -0.77 1.52 0.45 -0.36 0.00 0.00 175.35 176.18 1dm4 n SER 203 N 4.71 3.71 -0.14 1.43 2.88 -1.08 -4.89 113.62 120.24 1dm4 n SER 203 Ca -0.10 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.77 1dm4 n SER 203 Cb 0.43 -1.59 0.64 0.00 -0.75 0.00 0.00 64.21 62.94 1dm4 n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1dm4 n PRO 204 N 1.30 0.81 0.06 -1.46 -0.04 -1.26 -0.94 135.00 133.47 1dm4 n PRO 204 Ca 0.05 -0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 63.01 1dm4 n PRO 204 Cb 0.37 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 1dm4 n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1dm4 h PHE 204 N 0.67 0.67 0.00 0.54 0.04 -1.98 -3.41 116.94 113.48 1dm4 h PHE 204 Ca 0.00 -0.49 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1dm4 h PHE 204 Cb 0.33 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1dm4 h PHE 204 CO 0.00 1.71 0.00 0.27 -0.60 0.00 0.00 178.31 179.69 1dm4 n ASN 204 N -3.57 0.16 -0.66 2.17 2.04 -1.24 -5.03 115.26 109.14 1dm4 n ASN 204 Ca -0.26 -0.49 -0.08 0.00 -0.44 0.00 0.00 54.58 53.30 1dm4 n ASN 204 Cb 1.07 0.34 -0.03 0.00 -2.53 0.00 0.00 39.78 38.63 1dm4 n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1dm4 n ASN 205 N -0.34 -3.89 -4.93 0.53 5.15 -0.12 -5.00 115.26 106.67 1dm4 n ASN 205 Ca 0.00 0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.88 1dm4 n ASN 205 Cb 0.04 -2.22 -0.04 0.00 -0.53 0.00 0.00 39.78 37.04 1dm4 n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1dm4 s ARG 206 N -2.86 3.49 -0.07 1.20 0.52 -1.26 -4.86 118.95 115.11 1dm4 s ARG 206 Ca 0.00 -0.40 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 1dm4 s ARG 206 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1dm4 s ARG 206 CO 0.00 0.50 0.39 -1.58 0.02 0.00 0.00 175.30 174.64 1dm4 s TRP 207 N -1.70 3.61 0.01 -0.53 0.52 -1.26 -2.64 118.94 116.95 1dm4 s TRP 207 Ca 0.37 0.87 0.05 0.00 0.02 0.00 0.00 56.10 57.40 1dm4 s TRP 207 Cb -0.12 -2.36 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1dm4 s TRP 207 CO 0.28 0.43 -0.12 0.71 0.02 0.00 0.00 176.95 178.27 1dm4 s TYR 208 N -0.28 2.72 -0.59 -1.98 2.02 0.11 -1.08 117.35 118.28 1dm4 s TYR 208 Ca 0.22 -0.15 -0.21 0.00 -0.37 0.00 0.00 57.07 56.57 1dm4 s TYR 208 Cb -0.15 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 39.93 1dm4 s TYR 208 CO 0.10 0.30 0.80 -1.14 -1.57 0.00 0.00 175.55 174.05 1dm4 s GLN 209 N -1.36 3.13 0.01 -0.62 0.74 0.02 -1.51 119.66 120.08 1dm4 s GLN 209 Ca 0.15 -0.89 0.25 0.00 0.05 0.00 0.00 55.36 54.92 1dm4 s GLN 209 Cb -0.11 -4.18 0.43 0.00 1.10 0.00 0.00 33.01 30.25 1dm4 s GLN 209 CO 0.06 -1.54 1.36 -1.33 -0.55 0.00 0.00 175.29 173.28 1dm4 n MET 210 N 6.91 0.04 -3.79 1.67 2.81 0.98 -4.53 117.12 121.21 1dm4 n MET 210 Ca -0.05 0.01 -0.04 0.00 -1.81 0.00 0.00 57.70 55.80 1dm4 n MET 210 Cb 0.45 -1.52 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1dm4 n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1dm4 s GLY 211 N -3.10 -0.14 -0.12 3.03 0.00 -1.03 -3.48 107.32 102.48 1dm4 s GLY 211 Ca 0.10 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.80 1dm4 s GLY 211 CO 0.72 0.19 -0.20 -0.42 0.00 0.00 0.00 173.10 173.38 1dm4 s ILE 212 N -3.25 1.90 -0.29 0.90 1.01 -0.87 -2.01 121.20 118.59 1dm4 s ILE 212 Ca 0.13 -0.89 -0.33 0.00 0.00 0.00 0.00 60.65 59.56 1dm4 s ILE 212 Cb -0.03 -1.68 -0.09 0.00 0.01 0.00 0.00 42.46 40.68 1dm4 s ILE 212 CO 0.04 0.52 2.19 0.52 0.00 0.00 0.00 174.94 178.21 1dm4 n VAL 213 N 3.98 0.26 0.00 2.92 0.31 0.17 -2.25 118.33 123.72 1dm4 n VAL 213 Ca -0.20 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1dm4 n VAL 213 Cb 0.52 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 1dm4 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1dm4 n SER 214 N 10.45 0.00 -2.70 4.52 2.88 -1.03 -0.74 113.62 127.00 1dm4 n SER 214 Ca 0.37 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.81 1dm4 n SER 214 Cb 0.31 -0.19 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 1dm4 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1dm4 n TRP 215 N -2.19 -2.12 0.00 0.66 4.27 -0.68 -4.80 117.44 112.59 1dm4 n TRP 215 Ca 0.00 -1.83 0.00 0.00 -3.89 0.00 0.00 57.50 51.78 1dm4 n TRP 215 Cb 0.00 0.80 0.00 0.00 -1.36 0.00 0.00 31.31 30.75 1dm4 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1dm4 n GLY 216 N -0.51 -0.28 3.34 -1.67 0.00 -1.26 0.01 105.19 104.82 1dm4 n GLY 216 Ca -0.07 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.53 1dm4 n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dm4 s GLU 217 N -2.00 2.77 2.93 1.61 2.02 -1.26 -4.99 118.70 119.77 1dm4 s GLU 217 Ca 0.00 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 53.77 1dm4 s GLU 217 Cb 0.00 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1dm4 s GLU 217 CO 0.00 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.89 1dm4 n GLY 219 N 4.99 -0.42 3.63 -1.39 0.00 -1.26 -4.82 105.19 105.92 1dm4 n GLY 219 Ca -0.11 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.78 1dm4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dm4 n ASP 221 N 4.94 -3.70 -4.64 0.00 2.03 -1.26 -4.45 116.55 109.47 1dm4 n ASP 221 Ca -0.15 -0.62 -0.36 0.00 0.52 0.00 0.00 54.79 54.18 1dm4 n ASP 221 Cb 0.53 -4.92 -0.10 0.00 -0.72 0.00 0.00 41.12 35.91 1dm4 n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dm4 s ARG 221 N -5.84 4.02 0.25 -0.67 0.52 -1.26 -4.96 118.95 111.01 1dm4 s ARG 221 Ca 0.25 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 1dm4 s ARG 221 Cb -0.11 -3.44 -0.14 0.00 0.52 0.00 0.00 34.95 31.78 1dm4 s ARG 221 CO 0.74 0.10 1.09 -0.25 0.02 0.00 0.00 175.30 177.00 1dm4 n ASP 222 N 4.13 1.44 0.00 0.23 10.43 -1.26 0.73 116.55 132.25 1dm4 n ASP 222 Ca -0.16 1.17 0.00 0.00 2.57 0.00 0.00 54.79 58.37 1dm4 n ASP 222 Cb 0.52 -1.28 0.00 0.00 1.84 0.00 0.00 41.12 42.20 1dm4 n ASP 222 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1dm4 n GLY 223 N 1.54 1.92 3.58 0.44 0.00 -1.26 -4.99 105.19 106.42 1dm4 n GLY 223 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1dm4 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dm4 s LYS 224 N -0.06 2.12 -0.07 1.61 -0.14 0.22 -4.71 119.74 118.72 1dm4 s LYS 224 Ca 0.00 -1.12 0.04 0.00 -1.36 0.00 0.00 55.97 53.52 1dm4 s LYS 224 Cb 0.00 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 1dm4 s LYS 224 CO 0.00 0.48 -0.19 0.71 -0.76 0.00 0.00 175.35 175.59 1dm4 s TYR 225 N -1.44 2.01 0.28 3.18 1.51 -1.26 -4.65 117.35 116.98 1dm4 s TYR 225 Ca 0.23 -0.74 -0.30 0.00 -1.01 0.00 0.00 57.07 55.25 1dm4 s TYR 225 Cb -0.10 -1.38 -0.11 0.00 -0.11 0.00 0.00 41.96 40.27 1dm4 s TYR 225 CO 0.15 -0.31 1.48 0.20 -1.11 0.00 0.00 175.55 175.96 1dm4 s GLY 226 N 0.35 2.38 -0.05 0.71 0.00 -0.67 -4.76 107.32 105.28 1dm4 s GLY 226 Ca -0.13 1.42 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 1dm4 s GLY 226 CO 0.05 2.33 0.03 -1.36 0.00 0.00 0.00 173.10 174.16 1dm4 s PHE 227 N -0.22 3.21 0.04 1.90 0.40 0.10 -1.44 117.98 121.96 1dm4 s PHE 227 Ca 0.59 0.20 0.03 0.00 -0.60 0.00 0.00 56.93 57.15 1dm4 s PHE 227 Cb -0.44 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1dm4 s PHE 227 CO 0.48 0.51 -0.10 0.71 0.70 0.00 0.00 175.22 177.51 1dm4 s TYR 228 N -1.02 0.90 0.16 0.36 1.51 -0.57 -1.68 117.35 117.00 1dm4 s TYR 228 Ca 0.17 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1dm4 s TYR 228 Cb -0.12 -0.53 -0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1dm4 s TYR 228 CO 0.07 -0.01 1.08 0.99 -1.11 0.00 0.00 175.55 176.57 1dm4 s THR 229 N -1.06 3.97 -0.72 -0.71 2.01 -0.95 -0.63 115.64 117.56 1dm4 s THR 229 Ca -0.04 1.68 -0.26 0.00 0.31 0.00 0.00 61.69 63.38 1dm4 s THR 229 Cb -0.08 -4.07 0.04 0.00 0.01 0.00 0.00 72.50 68.39 1dm4 s THR 229 CO 0.01 0.28 1.21 -2.28 -0.69 0.00 0.00 174.62 173.14 1dm4 s HIS 230 N -0.16 2.38 0.17 4.92 2.46 -0.94 -2.05 115.29 122.06 1dm4 s HIS 230 Ca 0.49 -0.14 -0.12 0.00 0.47 0.00 0.00 55.06 55.76 1dm4 s HIS 230 Cb -0.28 -4.55 0.06 0.00 -0.13 0.00 0.00 32.58 27.68 1dm4 s HIS 230 CO 0.34 -1.97 1.70 0.28 -2.47 0.00 0.00 174.74 172.62 1dm4 h VAL 231 N 6.02 1.24 0.51 0.89 2.07 -1.85 -2.45 116.25 122.69 1dm4 h VAL 231 Ca -0.28 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1dm4 h VAL 231 Cb 1.05 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1dm4 h VAL 231 CO 1.25 0.30 -0.43 0.15 0.02 0.00 0.00 177.57 178.87 1dm4 h PHE 232 N 0.80 -1.16 -0.92 1.57 3.57 -1.84 -2.63 116.94 116.32 1dm4 h PHE 232 Ca 0.18 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.95 1dm4 h PHE 232 Cb 0.28 0.44 -0.16 0.00 2.79 0.00 0.00 35.95 39.30 1dm4 h PHE 232 CO 0.02 -0.59 0.18 0.00 -2.23 0.00 0.00 178.31 175.69 1dm4 h ARG 233 N -0.91 0.11 -0.77 1.11 2.47 -1.93 0.40 114.38 114.85 1dm4 h ARG 233 Ca -0.07 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.56 1dm4 h ARG 233 Cb 0.77 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.01 1dm4 h ARG 233 CO -0.00 0.07 0.11 1.28 0.56 0.00 0.00 179.97 181.99 1dm4 n LEU 234 N -5.33 4.66 -0.15 3.04 4.77 -0.93 -4.55 117.00 118.52 1dm4 n LEU 234 Ca 0.23 -2.39 -0.08 0.00 -0.03 0.00 0.00 56.01 53.73 1dm4 n LEU 234 Cb 0.76 -0.66 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1dm4 n LEU 234 CO 0.01 0.60 0.77 0.50 -1.33 0.00 0.00 177.39 177.95 1dm4 h LYS 235 N 2.35 0.94 -0.69 3.23 3.64 0.15 -2.83 116.57 123.36 1dm4 h LYS 235 Ca 0.10 -0.33 0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1dm4 h LYS 235 Cb 1.73 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 33.37 1dm4 h LYS 235 CO 0.45 0.99 0.03 0.87 -2.27 0.00 0.00 179.45 179.52 1dm4 h LYS 236 N 0.84 0.13 0.20 1.90 6.56 -1.80 0.25 116.57 124.65 1dm4 h LYS 236 Ca 0.14 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.71 1dm4 h LYS 236 Cb 0.63 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.27 1dm4 h LYS 236 CO 0.04 0.09 -0.09 2.35 -2.06 0.00 0.00 179.45 179.78 1dm4 h TRP 237 N 0.14 -0.24 -0.95 -1.35 7.01 -1.89 0.11 115.95 118.77 1dm4 h TRP 237 Ca 0.37 -0.01 0.27 0.00 2.11 0.00 0.00 58.89 61.64 1dm4 h TRP 237 Cb 0.63 0.08 -0.14 0.00 -2.10 0.00 0.00 29.16 27.63 1dm4 h TRP 237 CO -0.37 0.11 0.42 0.82 -2.79 0.00 0.00 178.44 176.63 1dm4 h ILE 238 N -0.64 0.33 -0.26 2.65 2.04 -1.05 0.52 117.51 121.10 1dm4 h ILE 238 Ca -0.03 -0.10 -0.16 0.00 1.00 0.00 0.00 64.86 65.57 1dm4 h ILE 238 Cb 0.46 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1dm4 h ILE 238 CO 0.04 0.06 -0.49 1.56 0.00 0.00 0.00 178.15 179.32 1dm4 h GLN 239 N 0.30 0.71 0.51 2.37 4.20 -0.27 -2.30 115.11 120.63 1dm4 h GLN 239 Ca 0.64 -0.42 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 1dm4 h GLN 239 Cb 1.37 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.19 1dm4 h GLN 239 CO -0.61 1.04 -0.24 -0.22 -0.67 0.00 0.00 178.83 178.12 1dm4 h LYS 240 N 0.56 -0.66 -0.63 1.46 3.64 0.26 -2.79 116.57 118.42 1dm4 h LYS 240 Ca 0.03 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.55 1dm4 h LYS 240 Cb 1.05 0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 1dm4 h LYS 240 CO 0.10 -0.44 0.42 -0.24 -2.27 0.00 0.00 179.45 177.02 1dm4 h VAL 241 N -0.70 0.90 0.40 2.00 3.04 -1.20 -2.96 116.25 117.72 1dm4 h VAL 241 Ca -0.07 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.44 1dm4 h VAL 241 Cb 0.52 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1dm4 h VAL 241 CO 0.11 0.08 -0.19 0.40 -1.01 0.00 0.00 177.57 176.96 1dm4 h ILE 242 N 0.46 0.58 -0.46 3.17 2.04 -1.33 -0.76 117.51 121.20 1dm4 h ILE 242 Ca 0.29 -0.39 -0.29 0.00 1.00 0.00 0.00 64.86 65.48 1dm4 h ILE 242 Cb 0.54 0.76 -0.14 0.00 -0.74 0.00 0.00 36.82 37.24 1dm4 h ILE 242 CO -0.09 0.07 0.37 -0.90 0.00 0.00 0.00 178.15 177.60 1dm4 n ASP 243 N -5.23 5.34 0.00 1.72 5.68 -1.06 -0.58 116.55 122.43 1dm4 n ASP 243 Ca -0.10 -2.94 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 1dm4 n ASP 243 Cb 0.28 -0.92 0.00 0.00 -1.14 0.00 0.00 41.12 39.34 1dm4 n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1dm4 n GLN 244 N 0.15 0.00 -0.08 0.11 7.27 -1.14 -4.89 117.38 118.80 1dm4 n GLN 244 Ca 0.29 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.38 1dm4 n GLN 244 Cb 0.74 -0.30 0.07 0.00 2.41 0.00 0.00 30.24 33.16 1dm4 n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1dm4 n PHE 245 N -2.82 0.20 -4.03 3.69 3.01 -0.30 -5.09 117.46 112.13 1dm4 n PHE 245 Ca 0.00 -0.48 0.04 0.00 1.01 0.00 0.00 57.45 58.01 1dm4 n PHE 245 Cb 0.29 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.74 1dm4 n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dm4 n GLY 246 N -0.03 0.16 3.10 1.37 0.00 0.26 -5.03 105.19 105.02 1dm4 n GLY 246 Ca 0.05 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1dm4 n GLY 246 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11