#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl4 s ASP 5 N 0.00 7.00 0.01 4.31 3.68 -1.26 -4.92 116.67 125.50 3dl4 s ASP 5 Ca 0.00 1.61 0.18 0.00 2.13 0.00 0.00 52.55 56.47 3dl4 s ASP 5 Cb 0.00 -2.54 0.75 0.00 -1.45 0.00 0.00 42.92 39.68 3dl4 s ASP 5 CO 0.00 -0.71 1.56 -2.65 0.13 0.00 0.00 175.17 173.50 3dl4 n PRO 6 N 6.37 0.01 0.21 4.34 -0.02 -1.26 -1.77 135.00 142.88 3dl4 n PRO 6 Ca 0.13 0.21 0.08 0.00 -2.02 0.00 0.00 63.50 61.90 3dl4 n PRO 6 Cb 0.45 -1.51 0.42 0.00 -0.02 0.00 0.00 33.50 32.84 3dl4 n PRO 6 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3dl4 h GLN 7 N 0.00 0.00 -0.56 -0.52 1.08 -2.02 -3.13 115.11 109.96 3dl4 h GLN 7 Ca 0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 3dl4 h GLN 7 Cb 0.30 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3dl4 h GLN 7 CO 0.00 0.27 0.06 1.28 -0.95 0.00 0.00 178.83 179.50 3dl4 n LEU 8 N -3.46 5.50 -3.84 1.46 4.77 -0.73 -4.85 117.00 115.86 3dl4 n LEU 8 Ca -0.00 -3.04 -0.27 0.00 -0.03 0.00 0.00 56.01 52.67 3dl4 n LEU 8 Cb 0.45 -0.68 -0.17 0.00 -2.33 0.00 0.00 43.42 40.70 3dl4 n LEU 8 CO 0.34 0.69 -0.41 -0.22 -1.33 0.00 0.00 177.39 176.47 3dl4 s LEU 9 N -2.85 1.39 0.02 2.23 0.20 -1.19 -0.12 118.68 118.37 3dl4 s LEU 9 Ca 0.53 -0.62 0.03 0.00 0.69 0.00 0.00 54.13 54.76 3dl4 s LEU 9 Cb 0.41 -0.78 -0.02 0.00 -0.43 0.00 0.00 46.19 45.37 3dl4 s LEU 9 CO 0.14 -0.21 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.19 3dl4 s VAL 10 N 1.73 0.81 -0.34 1.68 1.01 -0.89 -4.97 120.40 119.43 3dl4 s VAL 10 Ca 0.01 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3dl4 s VAL 10 Cb -0.15 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.53 3dl4 s VAL 10 CO -0.07 0.02 0.11 -0.60 0.00 0.00 0.00 175.10 174.56 3dl4 s ARG 11 N -0.79 2.65 0.59 2.72 3.52 -1.26 -0.81 118.95 125.57 3dl4 s ARG 11 Ca 0.00 -1.16 0.02 0.00 -0.13 0.00 0.00 55.73 54.46 3dl4 s ARG 11 Cb -0.06 -3.48 0.07 0.00 -1.56 0.00 0.00 34.95 29.92 3dl4 s ARG 11 CO 0.00 -0.66 0.83 0.14 -0.81 0.00 0.00 175.30 174.80 3dl4 s VAL 12 N 1.42 2.47 0.48 7.11 -7.23 -0.30 -4.91 120.40 119.44 3dl4 s VAL 12 Ca -0.01 -0.71 0.24 0.00 -1.81 0.00 0.00 61.98 59.70 3dl4 s VAL 12 Cb -0.19 -2.77 0.43 0.00 0.56 0.00 0.00 36.38 34.41 3dl4 s VAL 12 CO 0.03 0.00 1.88 -0.09 -0.31 0.00 0.00 175.10 176.61 3dl4 h ARG 13 N -0.06 0.19 -0.01 4.82 2.43 -1.94 -1.05 114.38 118.77 3dl4 h ARG 13 Ca -0.39 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3dl4 h ARG 13 Cb 1.29 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3dl4 h ARG 13 CO 0.47 0.12 -0.19 0.41 -1.51 0.00 0.00 179.97 179.27 3dl4 n GLY 14 N -1.61 -0.82 0.00 2.80 0.00 -1.26 -4.96 105.19 99.33 3dl4 n GLY 14 Ca 0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3dl4 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 15 N 1.32 0.82 3.90 -0.02 0.00 -0.40 -1.01 105.19 109.80 3dl4 n GLY 15 Ca 0.13 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 3dl4 n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dl4 s GLN 16 N -1.26 3.56 0.08 1.61 -0.21 -1.25 -1.15 119.66 121.04 3dl4 s GLN 16 Ca 0.00 -0.20 0.05 0.00 0.02 0.00 0.00 55.36 55.24 3dl4 s GLN 16 Cb 0.00 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.07 3dl4 s GLN 16 CO 0.00 0.51 -0.14 -0.51 -2.12 0.00 0.00 175.29 173.03 3dl4 s LEU 17 N -2.61 2.30 -0.16 2.90 1.43 0.01 -1.72 118.68 120.84 3dl4 s LEU 17 Ca 0.39 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 3dl4 s LEU 17 Cb -0.12 -0.53 0.01 0.00 0.03 0.00 0.00 46.19 45.59 3dl4 s LEU 17 CO 0.26 -0.09 -0.21 -0.60 0.23 0.00 0.00 176.35 175.94 3dl4 s ARG 18 N -1.94 2.97 0.60 1.70 3.52 -0.31 -2.09 118.95 123.41 3dl4 s ARG 18 Ca 0.00 -0.83 -0.00 0.00 -0.13 0.00 0.00 55.73 54.77 3dl4 s ARG 18 Cb -0.09 -2.47 0.12 0.00 -1.56 0.00 0.00 34.95 30.95 3dl4 s ARG 18 CO 0.02 -0.10 0.83 0.41 -0.81 0.00 0.00 175.30 175.65 3dl4 n GLY 19 N 4.31 0.64 3.36 8.12 0.00 0.83 -0.84 105.19 121.62 3dl4 n GLY 19 Ca -0.20 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.54 3dl4 n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3dl4 s ILE 20 N -2.51 2.06 -0.31 -0.61 2.07 -0.52 -4.82 121.20 116.57 3dl4 s ILE 20 Ca 0.55 -1.77 -0.16 0.00 -1.41 0.00 0.00 60.65 57.85 3dl4 s ILE 20 Cb -0.03 -1.88 -0.02 0.00 0.13 0.00 0.00 42.46 40.66 3dl4 s ILE 20 CO 0.36 -0.05 0.42 -0.60 -1.91 0.00 0.00 174.94 173.16 3dl4 s ARG 21 N -2.24 3.80 0.23 3.50 3.52 -1.26 -0.57 118.95 125.93 3dl4 s ARG 21 Ca 0.13 -0.10 0.07 0.00 -0.13 0.00 0.00 55.73 55.70 3dl4 s ARG 21 Cb -0.09 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 3dl4 s ARG 21 CO 0.06 -0.44 0.16 -0.51 -0.81 0.00 0.00 175.30 173.76 3dl4 s LEU 22 N 2.16 3.74 -0.16 -0.88 1.43 0.13 -4.94 118.68 120.16 3dl4 s LEU 22 Ca 0.16 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3dl4 s LEU 22 Cb -0.16 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3dl4 s LEU 22 CO 0.11 0.00 0.03 -1.59 0.23 0.00 0.00 176.35 175.13 3dl4 s LYS 23 N -3.59 3.75 0.16 1.70 0.00 -1.26 -0.28 119.74 120.22 3dl4 s LYS 23 Ca 0.32 -0.39 0.04 0.00 0.00 0.00 0.00 55.97 55.94 3dl4 s LYS 23 Cb -0.08 -3.08 -0.04 0.00 0.00 0.00 0.00 37.83 34.63 3dl4 s LYS 23 CO 0.24 0.34 0.15 0.00 0.00 0.00 0.00 175.35 176.09 3dl4 s ALA 24 N 0.14 3.63 0.22 0.59 0.00 0.60 -4.94 121.76 122.01 3dl4 s ALA 24 Ca 0.03 -1.17 0.05 0.00 0.00 0.00 0.00 51.96 50.87 3dl4 s ALA 24 Cb -0.13 -1.43 0.63 0.00 0.00 0.00 0.00 23.12 22.19 3dl4 s ALA 24 CO 0.01 0.53 1.04 -2.30 0.00 0.00 0.00 175.76 175.04 3dl4 n PRO 25 N -0.32 -0.05 -0.38 0.00 -0.02 -1.26 -1.19 135.00 131.78 3dl4 n PRO 25 Ca -0.08 0.97 0.08 0.00 -2.02 0.00 0.00 63.50 62.44 3dl4 n PRO 25 Cb 0.54 -1.60 0.23 0.00 -0.02 0.00 0.00 33.50 32.66 3dl4 n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 26 N -1.28 3.52 0.00 -1.23 0.00 -1.26 -5.05 105.19 99.88 3dl4 n GLY 26 Ca 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dl4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 27 N -0.05 -1.95 3.89 -0.02 0.00 -0.33 -5.08 105.19 101.65 3dl4 n GLY 27 Ca 0.19 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 3dl4 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dl4 s PRO 28 N -1.87 3.64 0.02 1.61 0.04 -1.26 -0.29 135.00 136.89 3dl4 s PRO 28 Ca 0.00 0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.40 3dl4 s PRO 28 Cb 0.00 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.16 3dl4 s PRO 28 CO 0.00 -0.16 -0.07 0.14 0.04 0.00 0.00 177.00 176.95 3dl4 s VAL 29 N -2.62 0.53 0.02 -0.36 -7.23 0.62 -3.74 120.40 107.61 3dl4 s VAL 29 Ca 0.49 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.70 3dl4 s VAL 29 Cb -0.10 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 3dl4 s VAL 29 CO 0.40 -0.16 0.70 -0.44 -0.31 0.00 0.00 175.10 175.29 3dl4 s SER 30 N -0.97 7.11 -0.03 4.85 0.01 -0.88 0.17 113.70 123.96 3dl4 s SER 30 Ca -0.04 1.33 0.04 0.00 1.31 0.00 0.00 55.95 58.59 3dl4 s SER 30 Cb -0.07 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3dl4 s SER 30 CO 0.00 0.05 -0.16 0.00 0.41 0.00 0.00 173.24 173.54 3dl4 s ALA 31 N -0.09 1.37 -0.38 1.44 0.00 0.27 -1.73 121.76 122.64 3dl4 s ALA 31 Ca 0.36 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.70 3dl4 s ALA 31 Cb -0.20 -0.41 0.11 0.00 0.00 0.00 0.00 23.12 22.62 3dl4 s ALA 31 CO 0.21 0.28 0.10 -0.06 0.00 0.00 0.00 175.76 176.29 3dl4 s PHE 32 N -0.13 3.52 -0.04 0.00 0.40 0.34 -1.43 117.98 120.65 3dl4 s PHE 32 Ca 0.01 -2.97 -0.03 0.00 -0.60 0.00 0.00 56.93 53.34 3dl4 s PHE 32 Cb -0.09 -2.83 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 3dl4 s PHE 32 CO 0.01 -0.90 0.11 -0.51 0.70 0.00 0.00 175.22 174.63 3dl4 s LEU 33 N 0.69 4.10 -1.19 -0.37 1.43 0.63 -1.32 118.68 122.65 3dl4 s LEU 33 Ca 0.12 0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.43 3dl4 s LEU 33 Cb -0.20 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3dl4 s LEU 33 CO -0.07 0.31 0.77 0.61 0.23 0.00 0.00 176.35 178.20 3dl4 n GLY 34 N 1.38 -0.29 3.72 -3.19 0.00 -1.10 -3.65 105.19 102.06 3dl4 n GLY 34 Ca -0.14 0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3dl4 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl4 s ILE 35 N -3.18 4.10 0.11 -0.61 1.01 0.03 -4.77 121.20 117.89 3dl4 s ILE 35 Ca 0.38 1.62 -0.25 0.00 0.00 0.00 0.00 60.65 62.40 3dl4 s ILE 35 Cb -0.17 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 3dl4 s ILE 35 CO 0.47 0.19 0.78 -2.16 0.00 0.00 0.00 174.94 174.22 3dl4 s PRO 36 N 0.46 4.54 0.00 2.79 0.04 -1.26 0.47 135.00 142.05 3dl4 s PRO 36 Ca 0.54 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.78 3dl4 s PRO 36 Cb -0.28 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 3dl4 s PRO 36 CO 0.31 0.42 0.47 1.97 0.04 0.00 0.00 177.00 180.21 3dl4 n PHE 37 N 2.22 0.00 -3.86 0.56 1.16 -1.07 -4.85 117.46 111.62 3dl4 n PHE 37 Ca -0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.44 3dl4 n PHE 37 Cb 0.49 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 3dl4 n PHE 37 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3dl4 s ALA 38 N -1.14 -0.28 0.22 1.98 0.00 -1.24 -2.94 121.76 118.36 3dl4 s ALA 38 Ca 0.05 -0.38 -0.32 0.00 0.00 0.00 0.00 51.96 51.31 3dl4 s ALA 38 Cb 0.05 0.30 -0.14 0.00 0.00 0.00 0.00 23.12 23.33 3dl4 s ALA 38 CO 0.18 -0.37 1.37 0.39 0.00 0.00 0.00 175.76 177.33 3dl4 n GLU 39 N 0.60 1.87 -1.64 0.00 -0.58 -0.47 -4.47 120.64 115.95 3dl4 n GLU 39 Ca -0.18 0.67 -0.47 0.00 -0.42 0.00 0.00 57.16 56.75 3dl4 n GLU 39 Cb 0.59 -2.30 -0.04 0.00 -0.57 0.00 0.00 31.44 29.12 3dl4 n GLU 39 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3dl4 n PRO 40 N 2.08 1.81 -1.58 3.49 -0.02 -1.26 -4.68 135.00 134.85 3dl4 n PRO 40 Ca 0.13 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 3dl4 n PRO 40 Cb 0.30 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.41 3dl4 n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dl4 n PRO 41 N 2.64 3.67 -3.93 0.52 -0.04 -1.26 -4.92 135.00 131.68 3dl4 n PRO 41 Ca 0.15 -2.60 -0.24 0.00 -0.04 0.00 0.00 63.50 60.78 3dl4 n PRO 41 Cb 0.27 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.16 3dl4 n PRO 41 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dl4 s VAL 42 N -0.03 2.18 0.00 0.52 -7.23 -1.26 -3.06 120.40 111.52 3dl4 s VAL 42 Ca 0.61 -1.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3dl4 s VAL 42 Cb 0.23 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.44 3dl4 s VAL 42 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 3dl4 n GLY 43 N -1.47 2.43 0.00 2.32 0.00 -1.26 -0.42 105.19 106.79 3dl4 n GLY 43 Ca -0.01 0.37 0.09 0.00 0.00 0.00 0.00 46.02 46.48 3dl4 n GLY 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dl4 n SER 44 N 6.17 0.00 -0.43 1.61 3.41 -1.26 -2.59 113.62 120.54 3dl4 n SER 44 Ca 0.00 -0.01 0.10 0.00 -0.26 0.00 0.00 58.87 58.70 3dl4 n SER 44 Cb 0.00 -0.27 -0.01 0.00 -0.26 0.00 0.00 64.21 63.66 3dl4 n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3dl4 n ARG 45 N -1.27 1.26 -1.75 4.33 1.74 0.44 -4.83 116.66 116.58 3dl4 n ARG 45 Ca 0.09 -0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 55.88 3dl4 n ARG 45 Cb 0.15 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 3dl4 n ARG 45 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3dl4 n ARG 46 N -0.17 2.65 -0.66 5.56 0.63 -1.07 -1.22 116.66 122.39 3dl4 n ARG 46 Ca 0.08 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.95 3dl4 n ARG 46 Cb 0.43 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.64 3dl4 n ARG 46 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3dl4 n PHE 47 N 1.67 0.00 -3.90 -0.14 3.72 -1.26 -4.97 117.46 112.58 3dl4 n PHE 47 Ca 0.07 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.20 3dl4 n PHE 47 Cb 0.37 -0.75 -0.03 0.00 -0.94 0.00 0.00 39.48 38.12 3dl4 n PHE 47 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3dl4 s MET 48 N -0.47 3.45 0.65 -1.08 -1.94 -0.35 -4.30 119.30 115.26 3dl4 s MET 48 Ca 0.00 -0.54 -0.17 0.00 -1.71 0.00 0.00 55.69 53.26 3dl4 s MET 48 Cb 0.00 -2.95 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 3dl4 s MET 48 CO 0.00 0.51 0.78 -2.30 -0.01 0.00 0.00 175.02 174.00 3dl4 n PRO 49 N -0.51 0.61 -2.55 2.03 -0.02 -1.26 -4.94 135.00 128.35 3dl4 n PRO 49 Ca -0.06 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.30 3dl4 n PRO 49 Cb 0.54 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 3dl4 n PRO 49 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dl4 s PRO 50 N -2.75 4.14 0.12 0.52 0.04 -1.26 -5.05 135.00 130.76 3dl4 s PRO 50 Ca 0.72 1.49 0.05 0.00 0.04 0.00 0.00 61.00 63.30 3dl4 s PRO 50 Cb -0.39 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 3dl4 s PRO 50 CO 0.51 -0.15 0.03 -1.21 0.04 0.00 0.00 177.00 176.22 3dl4 s GLU 51 N -2.56 2.62 0.25 4.56 0.41 -1.26 -5.02 118.70 117.70 3dl4 s GLU 51 Ca 0.58 -0.88 -0.31 0.00 -0.41 0.00 0.00 54.97 53.96 3dl4 s GLU 51 Cb -0.21 -2.55 -0.13 0.00 -1.78 0.00 0.00 34.13 29.47 3dl4 s GLU 51 CO 0.27 0.52 1.53 -2.30 -0.49 0.00 0.00 175.26 174.78 3dl4 n PRO 52 N 0.25 2.40 -1.63 0.39 -0.02 -1.26 -1.37 135.00 133.77 3dl4 n PRO 52 Ca -0.10 0.86 -0.48 0.00 -2.02 0.00 0.00 63.50 61.75 3dl4 n PRO 52 Cb 0.53 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 3dl4 n PRO 52 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dl4 n LYS 53 N 2.36 1.62 -2.33 -0.52 3.00 -1.15 -4.14 118.16 117.00 3dl4 n LYS 53 Ca 0.11 0.58 -0.34 0.00 -0.00 0.00 0.00 58.31 58.66 3dl4 n LYS 53 Cb 0.34 -2.25 -0.01 0.00 0.00 0.00 0.00 35.03 33.11 3dl4 n LYS 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3dl4 s ARG 54 N 0.38 3.49 0.71 1.64 0.52 -1.26 -4.90 118.95 119.53 3dl4 s ARG 54 Ca 0.79 1.49 -0.16 0.00 -0.52 0.00 0.00 55.73 57.33 3dl4 s ARG 54 Cb -0.80 -2.04 0.03 0.00 0.52 0.00 0.00 34.95 32.66 3dl4 s ARG 54 CO 0.45 -0.71 1.24 -2.14 0.02 0.00 0.00 175.30 174.16 3dl4 s PRO 55 N -3.34 2.21 0.19 3.54 0.02 -1.26 -5.00 135.00 131.36 3dl4 s PRO 55 Ca 0.70 1.88 0.09 0.00 0.02 0.00 0.00 61.00 63.70 3dl4 s PRO 55 Cb -0.21 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.44 3dl4 s PRO 55 CO 0.25 -1.82 -0.19 1.67 -0.33 0.00 0.00 177.00 176.59 3dl4 s TRP 56 N -1.78 1.96 0.54 6.54 -2.14 -0.18 -5.04 118.94 118.83 3dl4 s TRP 56 Ca 0.77 -0.44 -0.08 0.00 2.66 0.00 0.00 56.10 59.01 3dl4 s TRP 56 Cb -0.32 -0.94 -0.04 0.00 -3.10 0.00 0.00 33.47 29.06 3dl4 s TRP 56 CO 0.44 0.42 0.90 -1.54 -2.66 0.00 0.00 176.95 174.50 3dl4 s SER 57 N -2.88 6.26 0.96 -2.66 1.04 -1.26 -4.62 113.70 110.53 3dl4 s SER 57 Ca 0.20 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.78 3dl4 s SER 57 Cb -0.05 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3dl4 s SER 57 CO 0.08 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.21 3dl4 n GLY 58 N -2.44 0.94 3.24 7.32 0.00 -1.26 -4.62 105.19 108.37 3dl4 n GLY 58 Ca 0.03 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 3dl4 n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 59 N 0.00 3.41 0.12 1.61 1.01 -1.26 -3.79 120.40 121.50 3dl4 s VAL 59 Ca 0.00 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.58 3dl4 s VAL 59 Cb 0.00 -2.87 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 3dl4 s VAL 59 CO 0.00 -0.03 1.02 -0.22 0.00 0.00 0.00 175.10 175.87 3dl4 s LEU 60 N 1.36 4.47 -0.56 3.92 2.96 -0.70 -4.87 118.68 125.27 3dl4 s LEU 60 Ca -0.02 1.89 -0.28 0.00 -0.22 0.00 0.00 54.13 55.50 3dl4 s LEU 60 Cb -0.19 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 42.94 3dl4 s LEU 60 CO 0.00 -0.16 1.21 -0.62 -1.32 0.00 0.00 176.35 175.46 3dl4 s ASP 61 N 0.14 6.44 -0.71 3.68 3.68 -1.26 -1.16 116.67 127.47 3dl4 s ASP 61 Ca 0.49 0.18 0.03 0.00 2.13 0.00 0.00 52.55 55.38 3dl4 s ASP 61 Cb -0.25 -2.55 0.34 0.00 -1.45 0.00 0.00 42.92 39.00 3dl4 s ASP 61 CO 0.31 -1.47 1.26 0.00 0.13 0.00 0.00 175.17 175.40 3dl4 n ALA 62 N 8.47 5.19 -0.27 3.66 0.00 -0.02 -4.66 120.51 132.90 3dl4 n ALA 62 Ca 0.09 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.90 3dl4 n ALA 62 Cb 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3dl4 n ALA 62 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dl4 n THR 63 N -0.22 0.20 -3.87 0.00 -2.24 -1.24 -0.27 114.28 106.65 3dl4 n THR 63 Ca 0.37 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.57 3dl4 n THR 63 Cb 0.37 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.58 3dl4 n THR 63 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3dl4 s THR 64 N -0.20 0.06 0.22 4.28 -1.32 -1.26 -4.80 115.64 112.61 3dl4 s THR 64 Ca 0.00 -0.46 -0.32 0.00 -1.21 0.00 0.00 61.69 59.70 3dl4 s THR 64 Cb 0.00 -0.32 -0.13 0.00 -1.51 0.00 0.00 72.50 70.55 3dl4 s THR 64 CO 0.00 -0.25 1.59 0.49 -2.21 0.00 0.00 174.62 174.24 3dl4 n PHE 65 N 2.07 2.52 -1.79 9.09 3.72 -1.26 -3.32 117.46 128.48 3dl4 n PHE 65 Ca -0.19 0.23 -0.25 0.00 -0.05 0.00 0.00 57.45 57.19 3dl4 n PHE 65 Cb 0.57 -2.58 0.17 0.00 -0.94 0.00 0.00 39.48 36.71 3dl4 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3dl4 n GLN 66 N 3.03 -1.10 -1.52 -1.08 1.13 -1.26 -4.90 117.38 111.68 3dl4 n GLN 66 Ca 0.14 -1.75 -0.34 0.00 -1.94 0.00 0.00 57.00 53.11 3dl4 n GLN 66 Cb 0.33 -1.16 0.08 0.00 0.11 0.00 0.00 30.24 29.60 3dl4 n GLN 66 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 3dl4 s ASN 67 N -5.13 4.41 0.04 1.08 0.01 -1.26 -4.91 114.94 109.18 3dl4 s ASN 67 Ca 0.64 2.29 -0.23 0.00 -0.71 0.00 0.00 52.86 54.85 3dl4 s ASN 67 Cb -0.02 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.00 3dl4 s ASN 67 CO 0.45 -2.11 0.69 -0.69 -1.51 0.00 0.00 177.10 173.93 3dl4 s VAL 68 N -2.03 4.76 0.55 1.60 1.01 -0.66 -4.68 120.40 120.95 3dl4 s VAL 68 Ca 0.73 1.47 -0.21 0.00 0.00 0.00 0.00 61.98 63.97 3dl4 s VAL 68 Cb -0.28 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 3dl4 s VAL 68 CO 0.44 0.41 1.29 0.00 0.00 0.00 0.00 175.10 177.24 3dl4 s TYR 70 N -1.32 3.01 0.07 0.00 5.04 -1.09 -4.64 117.35 118.42 3dl4 s TYR 70 Ca 0.72 0.66 -0.26 0.00 -2.44 0.00 0.00 57.07 55.75 3dl4 s TYR 70 Cb -0.42 -3.95 0.09 0.00 0.35 0.00 0.00 41.96 38.02 3dl4 s TYR 70 CO 0.49 -3.45 0.76 1.14 -1.34 0.00 0.00 175.55 173.14 3dl4 s GLN 71 N 0.79 1.03 0.35 4.97 -2.07 -1.26 -4.63 119.66 118.84 3dl4 s GLN 71 Ca 0.69 -0.36 -0.27 0.00 -1.82 0.00 0.00 55.36 53.60 3dl4 s GLN 71 Cb -0.45 0.47 -0.12 0.00 -1.09 0.00 0.00 33.01 31.83 3dl4 s GLN 71 CO 0.34 -0.45 1.15 0.98 -1.32 0.00 0.00 175.29 176.00 3dl4 n TYR 72 N -0.27 1.76 -4.96 9.60 4.19 -1.26 -5.03 117.16 121.20 3dl4 n TYR 72 Ca -0.13 0.59 -0.32 0.00 3.31 0.00 0.00 57.90 61.35 3dl4 n TYR 72 Cb 0.63 -2.33 -0.15 0.00 0.49 0.00 0.00 39.34 37.99 3dl4 n TYR 72 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 3dl4 s VAL 73 N -1.13 2.73 0.11 2.97 1.01 -1.26 -4.87 120.40 119.95 3dl4 s VAL 73 Ca 0.58 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 3dl4 s VAL 73 Cb -0.60 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 3dl4 s VAL 73 CO 0.60 0.55 1.20 -0.62 0.00 0.00 0.00 175.10 176.83 3dl4 s ASP 74 N 0.01 7.09 -0.06 3.32 -1.08 -1.26 -4.92 116.67 119.76 3dl4 s ASP 74 Ca -0.06 2.09 0.18 0.00 -0.52 0.00 0.00 52.55 54.24 3dl4 s ASP 74 Cb -0.15 -2.59 0.35 0.00 -1.46 0.00 0.00 42.92 39.08 3dl4 s ASP 74 CO 0.05 -0.43 1.16 0.35 0.52 0.00 0.00 175.17 176.81 3dl4 n THR 75 N 3.42 0.64 -0.11 1.71 -2.24 -1.26 -4.85 114.28 111.59 3dl4 n THR 75 Ca 0.07 -1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 60.28 3dl4 n THR 75 Cb 0.46 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3dl4 n THR 75 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3dl4 h LEU 76 N 0.79 0.54 -6.72 3.22 5.85 -2.01 -3.37 115.31 113.60 3dl4 h LEU 76 Ca -0.13 -0.28 -0.60 0.00 0.84 0.00 0.00 57.88 57.71 3dl4 h LEU 76 Cb 1.56 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 42.04 3dl4 h LEU 76 CO 0.06 0.68 -0.78 -0.31 -0.34 0.00 0.00 178.44 177.75 3dl4 s TYR 77 N -5.12 2.30 0.15 1.25 2.02 -1.26 -5.10 117.35 111.59 3dl4 s TYR 77 Ca -0.13 -2.81 -0.33 0.00 -0.37 0.00 0.00 57.07 53.42 3dl4 s TYR 77 Cb 0.09 -1.80 -0.13 0.00 -0.40 0.00 0.00 41.96 39.72 3dl4 s TYR 77 CO 0.76 -0.69 1.63 -2.30 -1.57 0.00 0.00 175.55 173.38 3dl4 n PRO 78 N 2.44 2.27 -0.99 -1.71 -0.02 -1.26 -1.52 135.00 134.22 3dl4 n PRO 78 Ca 0.24 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3dl4 n PRO 78 Cb 0.41 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3dl4 n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 79 N 3.59 0.39 3.67 -1.23 0.00 -1.26 -5.02 105.19 105.33 3dl4 n GLY 79 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3dl4 n GLY 79 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3dl4 s PHE 80 N -1.84 3.41 0.39 1.61 5.36 -0.57 -4.97 117.98 121.37 3dl4 s PHE 80 Ca 0.00 1.17 0.08 0.00 -0.96 0.00 0.00 56.93 57.21 3dl4 s PHE 80 Cb 0.00 -2.95 0.83 0.00 -0.34 0.00 0.00 43.02 40.56 3dl4 s PHE 80 CO 0.00 -0.21 2.00 1.49 -1.46 0.00 0.00 175.22 177.04 3dl4 h GLU 81 N 7.36 0.61 -0.67 10.12 4.57 -1.95 -0.74 114.58 133.87 3dl4 h GLU 81 Ca -0.30 -0.04 0.14 0.00 -1.18 0.00 0.00 59.36 57.98 3dl4 h GLU 81 Cb 1.14 -0.14 -0.10 0.00 -0.16 0.00 0.00 28.75 29.49 3dl4 h GLU 81 CO 0.82 0.40 0.14 0.78 -1.18 0.00 0.00 179.01 179.97 3dl4 h GLY 82 N 0.63 0.88 1.09 1.92 0.00 -1.93 -2.35 103.07 103.31 3dl4 h GLY 82 Ca 0.24 -0.02 -0.31 0.00 0.00 0.00 0.00 47.33 47.24 3dl4 h GLY 82 CO -0.07 -0.16 -1.64 -0.91 0.00 0.00 0.00 176.54 173.76 3dl4 h THR 83 N 0.26 0.99 0.00 4.70 1.35 -1.76 -3.39 112.91 115.06 3dl4 h THR 83 Ca 0.37 -2.72 -0.08 0.00 -0.55 0.00 0.00 66.41 63.43 3dl4 h THR 83 Cb 0.59 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 3dl4 h THR 83 CO -0.47 0.74 -0.37 -0.33 -0.25 0.00 0.00 175.52 174.85 3dl4 h GLU 84 N 0.04 0.00 0.00 4.72 4.39 -0.94 -2.56 114.58 120.24 3dl4 h GLU 84 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3dl4 h GLU 84 Cb 2.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 3dl4 h GLU 84 CO 0.12 0.37 0.00 0.00 -1.16 0.00 0.00 179.01 178.34 3dl4 n MET 85 N -3.74 0.15 0.00 2.33 0.00 -0.90 -1.11 117.12 113.84 3dl4 n MET 85 Ca -0.01 0.47 0.10 0.00 0.00 0.00 0.00 57.70 58.26 3dl4 n MET 85 Cb 0.46 -1.84 -0.09 0.00 0.00 0.00 0.00 33.22 31.75 3dl4 n MET 85 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3dl4 n TRP 86 N -2.13 0.00 -2.17 3.17 7.02 -0.96 -4.77 117.44 117.59 3dl4 n TRP 86 Ca 0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.17 3dl4 n TRP 86 Cb 0.16 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.04 3dl4 n TRP 86 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3dl4 s ASN 87 N -2.84 6.27 0.15 -0.99 0.01 -0.27 -4.64 114.94 112.63 3dl4 s ASN 87 Ca 0.11 1.61 -0.34 0.00 -0.71 0.00 0.00 52.86 53.52 3dl4 s ASN 87 Cb 0.16 -2.51 -0.15 0.00 0.41 0.00 0.00 41.25 39.17 3dl4 s ASN 87 CO 0.78 -0.83 1.50 -2.65 -1.51 0.00 0.00 177.10 174.39 3dl4 n PRO 88 N -1.98 1.87 -0.39 -0.60 -0.02 -1.26 -4.87 135.00 127.75 3dl4 n PRO 88 Ca 0.07 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 3dl4 n PRO 88 Cb 0.54 -2.40 0.27 0.00 -0.02 0.00 0.00 33.50 31.89 3dl4 n PRO 88 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3dl4 n ASN 89 N 3.07 3.87 -4.10 2.55 6.94 -1.26 -4.95 115.26 121.37 3dl4 n ASN 89 Ca 0.17 -2.23 -0.10 0.00 -0.02 0.00 0.00 54.58 52.41 3dl4 n ASN 89 Cb 0.26 -0.44 -0.09 0.00 -2.36 0.00 0.00 39.78 37.15 3dl4 n ASN 89 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3dl4 s ARG 90 N -1.42 0.97 0.37 -3.83 1.81 -1.26 -5.09 118.95 110.49 3dl4 s ARG 90 Ca 0.41 -1.36 -0.27 0.00 -1.72 0.00 0.00 55.73 52.79 3dl4 s ARG 90 Cb 0.24 0.27 -0.12 0.00 -0.45 0.00 0.00 34.95 34.90 3dl4 s ARG 90 CO 0.23 -0.29 1.19 0.39 -0.68 0.00 0.00 175.30 176.13 3dl4 n GLU 91 N -0.11 1.80 -2.17 3.54 -0.58 -1.26 -4.47 120.64 117.38 3dl4 n GLU 91 Ca -0.06 0.64 -0.33 0.00 -0.42 0.00 0.00 57.16 56.98 3dl4 n GLU 91 Cb 0.63 -2.21 -0.00 0.00 -0.57 0.00 0.00 31.44 29.29 3dl4 n GLU 91 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dl4 s LEU 92 N -0.87 3.58 -0.29 -4.62 1.43 -1.26 -1.66 118.68 114.99 3dl4 s LEU 92 Ca 0.59 1.83 -0.26 0.00 -1.03 0.00 0.00 54.13 55.26 3dl4 s LEU 92 Cb -0.57 -4.54 0.18 0.00 0.03 0.00 0.00 46.19 41.29 3dl4 s LEU 92 CO 0.60 -1.05 1.36 -0.55 0.23 0.00 0.00 176.35 176.94 3dl4 s SER 93 N -2.63 -0.11 0.52 2.29 0.15 -0.75 -4.86 113.70 108.30 3dl4 s SER 93 Ca 0.64 0.20 0.35 0.00 0.70 0.00 0.00 55.95 57.84 3dl4 s SER 93 Cb -0.16 0.20 1.64 0.00 -1.71 0.00 0.00 66.02 65.99 3dl4 s SER 93 CO 0.33 -0.05 2.04 -0.33 1.20 0.00 0.00 173.24 176.43 3dl4 h GLU 94 N 3.07 0.00 -5.22 5.44 5.08 -1.93 -2.90 114.58 118.12 3dl4 h GLU 94 Ca -0.24 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.45 3dl4 h GLU 94 Cb 1.19 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.28 3dl4 h GLU 94 CO 0.18 0.00 0.84 0.34 -1.00 0.00 0.00 179.01 179.37 3dl4 s ASP 95 N -5.13 6.52 0.00 1.42 -1.08 -1.26 -4.22 116.67 112.92 3dl4 s ASP 95 Ca -0.01 -1.77 0.00 0.00 -0.52 0.00 0.00 52.55 50.25 3dl4 s ASP 95 Cb 0.10 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 3dl4 s ASP 95 CO 0.44 -1.19 0.02 0.00 0.52 0.00 0.00 175.17 174.97 3dl4 s LEU 97 N 0.00 3.58 0.07 0.00 1.43 -1.26 -4.60 118.68 117.90 3dl4 s LEU 97 Ca 0.00 -2.20 0.04 0.00 -1.03 0.00 0.00 54.13 50.93 3dl4 s LEU 97 Cb 0.00 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.61 3dl4 s LEU 97 CO 0.00 -1.80 -0.11 -0.31 0.23 0.00 0.00 176.35 174.37 3dl4 s TYR 98 N 6.45 1.01 0.26 0.29 2.02 -1.26 -2.61 117.35 123.51 3dl4 s TYR 98 Ca 0.59 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.81 3dl4 s TYR 98 Cb 0.03 -0.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.96 3dl4 s TYR 98 CO 0.10 -0.00 -0.08 -0.48 -1.57 0.00 0.00 175.55 173.51 3dl4 s LEU 99 N -1.97 2.49 0.07 -1.29 0.05 0.18 -0.82 118.68 117.39 3dl4 s LEU 99 Ca -0.01 -1.14 0.10 0.00 0.05 0.00 0.00 54.13 53.12 3dl4 s LEU 99 Cb -0.07 -0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 43.39 3dl4 s LEU 99 CO 0.01 -0.29 -0.26 0.20 -0.55 0.00 0.00 176.35 175.45 3dl4 s ASN 100 N -3.41 3.25 -0.13 1.48 0.01 0.15 -0.79 114.94 115.50 3dl4 s ASN 100 Ca 0.28 -0.63 -0.01 0.00 -0.71 0.00 0.00 52.86 51.79 3dl4 s ASN 100 Cb 0.02 -0.29 0.04 0.00 0.41 0.00 0.00 41.25 41.43 3dl4 s ASN 100 CO 0.11 0.24 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.22 3dl4 s VAL 101 N -0.89 0.74 -0.16 1.60 1.01 -0.43 -1.15 120.40 121.13 3dl4 s VAL 101 Ca 0.13 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.70 3dl4 s VAL 101 Cb -0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3dl4 s VAL 101 CO 0.03 0.13 0.11 0.26 0.00 0.00 0.00 175.10 175.64 3dl4 s TRP 102 N 1.80 3.43 0.12 5.22 0.51 0.50 -0.50 118.94 130.01 3dl4 s TRP 102 Ca 0.02 0.34 -0.00 0.00 -2.12 0.00 0.00 56.10 54.35 3dl4 s TRP 102 Cb -0.14 -2.04 -0.04 0.00 -0.81 0.00 0.00 33.47 30.44 3dl4 s TRP 102 CO -0.07 0.44 0.01 0.95 -0.51 0.00 0.00 176.95 177.77 3dl4 s THR 103 N -0.24 0.34 0.55 2.01 -4.23 -0.71 -1.36 115.64 112.00 3dl4 s THR 103 Ca 0.10 -1.91 -0.20 0.00 -1.18 0.00 0.00 61.69 58.51 3dl4 s THR 103 Cb -0.12 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 3dl4 s THR 103 CO 0.01 -0.64 1.16 -2.84 -0.54 0.00 0.00 174.62 171.77 3dl4 s PRO 104 N -3.96 3.28 -0.34 3.99 0.02 -1.26 -2.07 135.00 134.65 3dl4 s PRO 104 Ca 0.19 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 62.85 3dl4 s PRO 104 Cb 0.07 -2.02 0.05 0.00 0.02 0.00 0.00 34.50 32.62 3dl4 s PRO 104 CO -0.01 -0.93 0.10 -0.47 -0.33 0.00 0.00 177.00 175.36 3dl4 s TYR 105 N -1.70 3.30 0.56 6.54 5.04 -1.25 -2.07 117.35 127.77 3dl4 s TYR 105 Ca 0.73 -1.65 -0.08 0.00 -2.44 0.00 0.00 57.07 53.63 3dl4 s TYR 105 Cb -0.26 -2.38 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 3dl4 s TYR 105 CO 0.29 -0.78 0.92 -1.25 -1.34 0.00 0.00 175.55 173.40 3dl4 s PRO 106 N 1.34 3.52 0.14 4.97 0.04 -1.26 -4.75 135.00 138.99 3dl4 s PRO 106 Ca -0.01 0.47 -0.34 0.00 0.04 0.00 0.00 61.00 61.16 3dl4 s PRO 106 Cb -0.20 -2.21 -0.13 0.00 0.04 0.00 0.00 34.50 31.99 3dl4 s PRO 106 CO 0.01 -0.44 1.63 2.89 0.04 0.00 0.00 177.00 181.13 3dl4 n ARG 107 N -2.55 2.22 -0.95 4.56 1.85 -0.88 -4.74 116.66 116.17 3dl4 n ARG 107 Ca 0.04 0.80 -0.35 0.00 -1.00 0.00 0.00 57.85 57.34 3dl4 n ARG 107 Cb 0.55 -2.59 -0.03 0.00 -1.05 0.00 0.00 32.46 29.33 3dl4 n ARG 107 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dl4 n PRO 108 N 3.87 0.00 0.22 2.89 -0.02 -1.26 -4.90 135.00 135.80 3dl4 n PRO 108 Ca 0.17 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 3dl4 n PRO 108 Cb 0.30 -0.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.89 3dl4 n PRO 108 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dl4 h ALA 109 N 1.24 -0.52 -1.89 3.55 0.00 -1.93 -3.45 119.26 116.25 3dl4 h ALA 109 Ca -0.25 -0.15 -0.49 0.00 0.00 0.00 0.00 54.91 54.03 3dl4 h ALA 109 Cb 0.94 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3dl4 h ALA 109 CO 0.40 -0.73 -0.44 -1.54 0.00 0.00 0.00 179.25 176.94 3dl4 s SER 110 N -4.82 5.47 -0.07 0.00 1.04 -1.26 -5.07 113.70 108.98 3dl4 s SER 110 Ca -0.15 -0.39 -0.36 0.00 0.48 0.00 0.00 55.95 55.53 3dl4 s SER 110 Cb 0.04 -1.10 -0.13 0.00 0.10 0.00 0.00 66.02 64.92 3dl4 s SER 110 CO 0.61 -0.32 1.76 -2.65 0.98 0.00 0.00 173.24 173.62 3dl4 n PRO 111 N -1.40 1.87 -4.22 4.02 -0.02 -1.26 -4.87 135.00 129.12 3dl4 n PRO 111 Ca -0.02 0.68 -0.34 0.00 -2.02 0.00 0.00 63.50 61.80 3dl4 n PRO 111 Cb 0.59 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.52 3dl4 n PRO 111 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dl4 s THR 112 N 3.15 4.49 0.50 3.45 2.01 -0.77 -4.68 115.64 123.80 3dl4 s THR 112 Ca 0.91 -0.36 -0.23 0.00 0.31 0.00 0.00 61.69 62.31 3dl4 s THR 112 Cb -0.79 -2.98 -0.07 0.00 0.01 0.00 0.00 72.50 68.67 3dl4 s THR 112 CO 0.52 0.46 1.35 -2.65 -0.69 0.00 0.00 174.62 173.61 3dl4 n PRO 113 N 1.61 1.85 -4.35 4.92 -0.02 -1.26 0.52 135.00 138.27 3dl4 n PRO 113 Ca -0.16 0.67 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 3dl4 n PRO 113 Cb 0.53 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 3dl4 n PRO 113 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dl4 s VAL 114 N -1.26 4.10 -0.17 -1.45 1.01 0.67 -3.24 120.40 120.06 3dl4 s VAL 114 Ca 0.67 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.27 3dl4 s VAL 114 Cb -0.44 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 3dl4 s VAL 114 CO 0.53 0.52 0.11 -0.76 0.00 0.00 0.00 175.10 175.49 3dl4 s LEU 115 N 0.06 4.14 -0.17 3.92 1.02 -0.14 -0.73 118.68 126.78 3dl4 s LEU 115 Ca 0.01 0.25 -0.02 0.00 0.02 0.00 0.00 54.13 54.39 3dl4 s LEU 115 Cb -0.13 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 3dl4 s LEU 115 CO 0.02 0.24 -0.09 -0.63 0.02 0.00 0.00 176.35 175.91 3dl4 s ILE 116 N 0.01 3.21 -0.10 -0.59 1.01 0.21 -0.33 121.20 124.62 3dl4 s ILE 116 Ca 0.09 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3dl4 s ILE 116 Cb -0.12 -2.40 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3dl4 s ILE 116 CO -0.00 0.48 0.06 0.86 0.00 0.00 0.00 174.94 176.34 3dl4 s TRP 117 N 0.87 3.33 -0.28 3.97 -0.11 0.95 -0.79 118.94 126.89 3dl4 s TRP 117 Ca -0.02 0.32 0.01 0.00 1.22 0.00 0.00 56.10 57.63 3dl4 s TRP 117 Cb -0.15 -1.86 0.08 0.00 -1.50 0.00 0.00 33.47 30.04 3dl4 s TRP 117 CO 0.01 0.56 0.01 0.42 -4.62 0.00 0.00 176.95 173.33 3dl4 s ILE 118 N -0.90 1.55 0.90 5.86 1.01 -0.30 -3.78 121.20 125.54 3dl4 s ILE 118 Ca 0.14 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.15 3dl4 s ILE 118 Cb -0.12 -1.97 0.11 0.00 0.01 0.00 0.00 42.46 40.49 3dl4 s ILE 118 CO 0.03 -0.35 1.03 0.00 0.00 0.00 0.00 174.94 175.65 3dl4 n TYR 119 N 4.61 0.54 -2.53 3.97 0.18 -1.26 -3.34 117.16 119.34 3dl4 n TYR 119 Ca -0.06 0.37 0.00 0.00 1.88 0.00 0.00 57.90 60.09 3dl4 n TYR 119 Cb 0.43 -1.99 0.00 0.00 -0.38 0.00 0.00 39.34 37.40 3dl4 n TYR 119 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dl4 n GLY 120 N 0.56 2.16 0.00 -7.48 0.00 -1.22 -2.88 105.19 96.33 3dl4 n GLY 120 Ca 0.11 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3dl4 n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 121 N 5.00 0.72 2.38 -0.02 0.00 -1.26 -4.17 105.19 107.83 3dl4 n GLY 121 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3dl4 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 122 N 0.00 1.12 2.96 -0.02 0.00 -1.26 -1.33 105.19 106.65 3dl4 n GLY 122 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.61 3dl4 n GLY 122 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dl4 n PHE 123 N -2.62 0.00 -0.01 1.61 3.72 -1.26 -4.79 117.46 114.11 3dl4 n PHE 123 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3dl4 n PHE 123 Cb 0.37 -2.00 0.00 0.00 -0.94 0.00 0.00 39.48 36.91 3dl4 n PHE 123 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3dl4 n TYR 124 N -2.04 0.00 -3.68 1.38 0.18 -0.46 -0.06 117.16 112.47 3dl4 n TYR 124 Ca -0.01 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.69 3dl4 n TYR 124 Cb 0.49 0.00 0.01 0.00 -0.38 0.00 0.00 39.34 39.46 3dl4 n TYR 124 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3dl4 n SER 125 N -0.16 -1.53 0.00 9.48 3.41 -0.44 -4.04 113.62 120.33 3dl4 n SER 125 Ca 0.00 -2.26 0.00 0.00 -0.26 0.00 0.00 58.87 56.35 3dl4 n SER 125 Cb 0.00 2.61 0.00 0.00 -0.26 0.00 0.00 64.21 66.56 3dl4 n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dl4 n GLY 126 N -0.41 2.16 3.56 5.00 0.00 -1.26 -4.22 105.19 110.03 3dl4 n GLY 126 Ca -0.05 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 3dl4 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 127 N -2.01 -1.90 -2.05 4.61 0.00 -1.26 -4.65 121.76 114.50 3dl4 s ALA 127 Ca 0.00 1.51 0.14 0.00 0.00 0.00 0.00 51.96 53.61 3dl4 s ALA 127 Cb 0.00 -0.54 0.71 0.00 0.00 0.00 0.00 23.12 23.29 3dl4 s ALA 127 CO 0.00 -0.34 1.47 0.00 0.00 0.00 0.00 175.76 176.89 3dl4 n ALA 128 N 0.71 2.55 0.13 0.00 0.00 -1.26 -3.76 120.51 118.88 3dl4 n ALA 128 Ca -0.12 -0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.15 3dl4 n ALA 128 Cb 0.58 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.91 3dl4 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dl4 n SER 129 N -0.42 1.76 -4.71 0.00 3.41 -1.26 -4.88 113.62 107.52 3dl4 n SER 129 Ca 0.11 -1.46 -0.34 0.00 -0.26 0.00 0.00 58.87 56.92 3dl4 n SER 129 Cb 0.11 -0.03 0.12 0.00 -0.26 0.00 0.00 64.21 64.14 3dl4 n SER 129 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dl4 s LEU 130 N -0.62 3.20 0.27 1.04 1.43 -1.25 -4.91 118.68 117.85 3dl4 s LEU 130 Ca 0.08 2.37 -0.02 0.00 -1.03 0.00 0.00 54.13 55.52 3dl4 s LEU 130 Cb 0.05 -4.59 0.36 0.00 0.03 0.00 0.00 46.19 42.04 3dl4 s LEU 130 CO 0.07 -2.53 1.82 0.44 0.23 0.00 0.00 176.35 176.38 3dl4 h ASP 131 N -0.69 0.84 0.33 2.29 3.32 -1.95 -2.60 116.42 117.96 3dl4 h ASP 131 Ca -0.47 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.44 3dl4 h ASP 131 Cb 1.30 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3dl4 h ASP 131 CO 0.47 0.80 0.00 1.33 -1.72 0.00 0.00 179.24 180.12 3dl4 n VAL 132 N -4.28 1.26 -0.82 -1.35 0.24 -1.26 -1.93 118.33 110.20 3dl4 n VAL 132 Ca 0.05 0.38 0.08 0.00 -2.04 0.00 0.00 64.34 62.81 3dl4 n VAL 132 Cb 0.21 -1.27 0.29 0.00 -1.47 0.00 0.00 33.84 31.60 3dl4 n VAL 132 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dl4 n TYR 133 N -1.73 1.18 -2.02 6.34 4.01 -0.98 -4.49 117.16 119.47 3dl4 n TYR 133 Ca 0.02 -0.76 -0.42 0.00 -0.16 0.00 0.00 57.90 56.57 3dl4 n TYR 133 Cb 0.11 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 38.81 3dl4 n TYR 133 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3dl4 s ASP 134 N -1.44 6.58 -0.06 7.72 -1.08 -0.81 -4.90 116.67 122.69 3dl4 s ASP 134 Ca 0.43 2.11 0.11 0.00 -0.52 0.00 0.00 52.55 54.68 3dl4 s ASP 134 Cb 0.33 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.68 3dl4 s ASP 134 CO 0.13 -1.02 1.28 0.61 0.52 0.00 0.00 175.17 176.70 3dl4 n GLY 135 N 4.27 1.59 0.23 2.66 0.00 -1.26 -4.35 105.19 108.33 3dl4 n GLY 135 Ca 0.18 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 3dl4 n GLY 135 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3dl4 h ARG 136 N 2.44 0.79 -0.23 1.61 0.11 -1.90 -2.33 114.38 114.87 3dl4 h ARG 136 Ca 0.00 -0.39 -0.00 0.00 0.10 0.00 0.00 59.98 59.69 3dl4 h ARG 136 Cb 0.91 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.98 3dl4 h ARG 136 CO 0.12 1.01 0.14 0.74 0.10 0.00 0.00 179.97 182.08 3dl4 h PHE 137 N 0.57 0.30 -0.58 4.08 0.04 -1.80 0.34 116.94 119.89 3dl4 h PHE 137 Ca 0.07 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.78 3dl4 h PHE 137 Cb 0.83 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 3dl4 h PHE 137 CO 0.06 0.23 0.16 -0.07 -0.60 0.00 0.00 178.31 178.09 3dl4 h LEU 138 N 0.28 0.87 -0.94 1.54 3.38 -1.71 0.15 115.31 118.89 3dl4 h LEU 138 Ca 0.08 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.85 3dl4 h LEU 138 Cb 0.01 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3dl4 h LEU 138 CO -0.02 0.86 0.62 0.00 0.09 0.00 0.00 178.44 180.00 3dl4 h ALA 139 N 1.04 1.20 0.00 1.53 0.00 -1.09 -2.08 119.26 119.86 3dl4 h ALA 139 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dl4 h ALA 139 Cb 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3dl4 h ALA 139 CO -0.00 0.56 -0.32 0.37 0.00 0.00 0.00 179.25 179.86 3dl4 h GLN 140 N 1.25 0.00 -0.29 0.00 -0.00 -0.66 -2.23 115.11 113.18 3dl4 h GLN 140 Ca 0.35 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.89 3dl4 h GLN 140 Cb -0.11 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 3dl4 h GLN 140 CO -0.09 0.37 -0.29 0.28 0.00 0.00 0.00 178.83 179.10 3dl4 h VAL 141 N -1.00 1.28 -0.01 2.39 2.07 -1.07 -3.30 116.25 116.61 3dl4 h VAL 141 Ca -0.05 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.07 3dl4 h VAL 141 Cb 0.54 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3dl4 h VAL 141 CO -0.03 0.45 -0.36 -0.62 0.02 0.00 0.00 177.57 177.03 3dl4 n GLU 142 N -4.09 2.44 -1.23 1.57 -0.58 -0.80 -4.99 120.64 112.96 3dl4 n GLU 142 Ca -0.01 -0.42 -0.08 0.00 -0.42 0.00 0.00 57.16 56.24 3dl4 n GLU 142 Cb 0.45 -1.11 -0.03 0.00 -0.57 0.00 0.00 31.44 30.18 3dl4 n GLU 142 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dl4 n GLY 143 N 1.09 0.99 3.79 0.62 0.00 -0.84 -5.00 105.19 105.84 3dl4 n GLY 143 Ca 0.04 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 3dl4 n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 144 N -2.28 3.07 -0.38 4.61 0.00 -1.09 -4.77 121.76 120.92 3dl4 s ALA 144 Ca 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 3dl4 s ALA 144 Cb 0.00 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3dl4 s ALA 144 CO 0.00 -0.16 0.54 0.08 0.00 0.00 0.00 175.76 176.22 3dl4 s VAL 145 N -1.73 4.98 -0.15 0.00 1.01 -1.20 -4.04 120.40 119.27 3dl4 s VAL 145 Ca 0.58 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 3dl4 s VAL 145 Cb -0.20 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3dl4 s VAL 145 CO 0.25 -0.34 -0.02 -0.22 0.00 0.00 0.00 175.10 174.78 3dl4 s LEU 146 N 2.47 3.39 -0.05 3.92 0.20 -0.46 -0.96 118.68 127.19 3dl4 s LEU 146 Ca 0.19 -0.05 0.05 0.00 0.69 0.00 0.00 54.13 55.00 3dl4 s LEU 146 Cb -0.15 -1.81 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3dl4 s LEU 146 CO 0.15 0.21 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.53 3dl4 s VAL 147 N 0.14 1.58 0.05 1.68 1.01 0.55 -0.37 120.40 125.04 3dl4 s VAL 147 Ca -0.00 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.23 3dl4 s VAL 147 Cb -0.13 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3dl4 s VAL 147 CO 0.02 0.45 -0.13 -0.94 0.00 0.00 0.00 175.10 174.50 3dl4 s SER 148 N 0.03 1.57 0.08 3.32 1.04 -0.30 -0.04 113.70 119.41 3dl4 s SER 148 Ca -0.05 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 55.92 3dl4 s SER 148 Cb -0.12 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.90 3dl4 s SER 148 CO 0.03 -0.03 -0.17 0.00 0.98 0.00 0.00 173.24 174.05 3dl4 s MET 149 N -1.41 0.93 0.35 4.02 0.23 -1.25 0.30 119.30 122.47 3dl4 s MET 149 Ca -0.01 -1.04 -0.23 0.00 -1.03 0.00 0.00 55.69 53.38 3dl4 s MET 149 Cb -0.09 -1.03 -0.10 0.00 -1.53 0.00 0.00 34.83 32.08 3dl4 s MET 149 CO 0.02 0.23 0.91 -0.80 -2.03 0.00 0.00 175.02 173.35 3dl4 s ASN 150 N -1.82 7.15 0.02 -1.18 0.01 -0.00 -4.55 114.94 114.58 3dl4 s ASN 150 Ca 0.01 1.72 0.01 0.00 -0.71 0.00 0.00 52.86 53.88 3dl4 s ASN 150 Cb -0.10 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 3dl4 s ASN 150 CO 0.03 -0.16 -0.04 -0.72 -1.51 0.00 0.00 177.10 174.70 3dl4 s TYR 151 N -1.80 0.35 0.46 2.20 1.13 -1.26 -4.53 117.35 113.88 3dl4 s TYR 151 Ca 0.53 -0.49 -0.25 0.00 -1.41 0.00 0.00 57.07 55.46 3dl4 s TYR 151 Cb -0.15 -0.23 -0.08 0.00 -1.10 0.00 0.00 41.96 40.40 3dl4 s TYR 151 CO 0.20 -0.15 1.41 1.03 -2.51 0.00 0.00 175.55 175.53 3dl4 s ARG 152 N -1.39 3.65 0.39 -3.49 0.52 -1.26 -4.86 118.95 112.51 3dl4 s ARG 152 Ca -0.13 2.39 0.04 0.00 -0.52 0.00 0.00 55.73 57.51 3dl4 s ARG 152 Cb -0.09 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.73 3dl4 s ARG 152 CO -0.01 -0.84 0.16 0.14 0.02 0.00 0.00 175.30 174.78 3dl4 s VAL 153 N -1.22 0.47 0.00 3.52 -7.23 -1.26 -4.25 120.40 110.44 3dl4 s VAL 153 Ca 0.62 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 3dl4 s VAL 153 Cb -0.43 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3dl4 s VAL 153 CO 0.55 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.95 3dl4 n GLY 154 N -0.84 2.06 0.26 2.32 0.00 0.91 -1.87 105.19 108.03 3dl4 n GLY 154 Ca -0.03 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 3dl4 n GLY 154 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dl4 h THR 155 N 0.00 1.24 -0.19 2.61 1.35 -1.89 -0.44 112.91 115.59 3dl4 h THR 155 Ca 0.00 -1.10 -0.08 0.00 -0.55 0.00 0.00 66.41 64.68 3dl4 h THR 155 Cb 0.00 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 3dl4 h THR 155 CO 0.00 0.36 -0.24 -0.26 -0.25 0.00 0.00 175.52 175.14 3dl4 h PHE 156 N 0.53 0.37 0.00 4.73 0.04 -1.87 -1.32 116.94 119.41 3dl4 h PHE 156 Ca 0.09 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 3dl4 h PHE 156 Cb 0.54 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3dl4 h PHE 156 CO 0.02 0.55 -1.90 0.41 -0.60 0.00 0.00 178.31 176.80 3dl4 n GLY 157 N -0.53 -1.08 0.00 -1.45 0.00 -0.78 -4.16 105.19 97.19 3dl4 n GLY 157 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3dl4 n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dl4 n PHE 158 N -2.51 0.00 -1.98 1.61 3.72 -0.20 -0.45 117.46 117.66 3dl4 n PHE 158 Ca -0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 3dl4 n PHE 158 Cb 0.75 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.26 3dl4 n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3dl4 s LEU 159 N -0.42 4.34 -0.02 4.37 0.20 -0.51 -4.39 118.68 122.25 3dl4 s LEU 159 Ca 0.00 2.30 0.06 0.00 0.69 0.00 0.00 54.13 57.19 3dl4 s LEU 159 Cb 0.00 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.21 3dl4 s LEU 159 CO 0.00 -0.92 -0.21 0.00 -0.29 0.00 0.00 176.35 174.92 3dl4 s ALA 160 N 3.83 1.78 -0.75 5.97 0.00 -1.26 -4.21 121.76 127.12 3dl4 s ALA 160 Ca 0.74 -0.92 -0.02 0.00 0.00 0.00 0.00 51.96 51.76 3dl4 s ALA 160 Cb -0.35 -0.46 0.19 0.00 0.00 0.00 0.00 23.12 22.50 3dl4 s ALA 160 CO 0.31 0.43 0.60 -0.51 0.00 0.00 0.00 175.76 176.59 3dl4 s LEU 161 N -0.47 5.40 0.25 0.00 1.43 0.55 -4.06 118.68 121.78 3dl4 s LEU 161 Ca 0.07 -3.27 -0.31 0.00 -1.03 0.00 0.00 54.13 49.59 3dl4 s LEU 161 Cb -0.09 -1.88 -0.14 0.00 0.03 0.00 0.00 46.19 44.12 3dl4 s LEU 161 CO -0.01 -0.28 1.33 -2.65 0.23 0.00 0.00 176.35 174.98 3dl4 n PRO 162 N 2.93 1.88 0.00 1.29 -0.02 -1.26 -0.60 135.00 139.22 3dl4 n PRO 162 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3dl4 n PRO 162 Cb 0.38 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3dl4 n PRO 162 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 163 N 1.91 2.91 3.74 -1.23 0.00 -1.26 -5.05 105.19 106.21 3dl4 n GLY 163 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3dl4 n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dl4 s SER 164 N 0.81 4.14 0.04 1.61 1.04 0.23 -4.96 113.70 116.61 3dl4 s SER 164 Ca 0.00 1.94 0.10 0.00 0.48 0.00 0.00 55.95 58.46 3dl4 s SER 164 Cb 0.00 -2.54 -0.22 0.00 0.10 0.00 0.00 66.02 63.36 3dl4 s SER 164 CO 0.00 -2.28 0.97 -0.09 0.98 0.00 0.00 173.24 172.82 3dl4 h ARG 165 N -1.23 0.00 0.00 4.02 2.43 -1.97 -3.37 114.38 114.27 3dl4 h ARG 165 Ca -0.44 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3dl4 h ARG 165 Cb 1.24 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.79 3dl4 h ARG 165 CO 0.49 0.75 -1.45 -0.85 -1.51 0.00 0.00 179.97 177.40 3dl4 n GLU 166 N -3.20 0.63 -3.15 0.20 0.00 -1.26 -4.49 120.64 109.37 3dl4 n GLU 166 Ca -0.08 -0.00 -0.22 0.00 0.00 0.00 0.00 57.16 56.85 3dl4 n GLU 166 Cb 1.00 -1.70 -0.06 0.00 0.00 0.00 0.00 31.44 30.68 3dl4 n GLU 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dl4 n ALA 167 N -2.24 2.00 1.26 -1.84 0.00 -1.26 -4.24 120.51 114.18 3dl4 n ALA 167 Ca -0.03 -3.15 0.13 0.00 0.00 0.00 0.00 53.44 50.39 3dl4 n ALA 167 Cb 0.59 -0.87 0.66 0.00 0.00 0.00 0.00 19.45 19.83 3dl4 n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dl4 n PRO 168 N 1.51 0.40 0.00 0.00 -0.04 -1.26 -0.33 135.00 135.28 3dl4 n PRO 168 Ca 0.20 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 3dl4 n PRO 168 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 3dl4 n PRO 168 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dl4 n GLY 169 N 0.90 -1.01 2.54 0.55 0.00 -1.26 -4.69 105.19 102.23 3dl4 n GLY 169 Ca 0.13 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 3dl4 n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dl4 n ASN 170 N -1.52 -5.29 0.12 1.61 3.02 -1.26 -4.86 115.26 107.08 3dl4 n ASN 170 Ca 0.00 0.50 -0.01 0.00 -0.03 0.00 0.00 54.58 55.04 3dl4 n ASN 170 Cb 0.00 -4.68 0.25 0.00 -0.61 0.00 0.00 39.78 34.73 3dl4 n ASN 170 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3dl4 h VAL 171 N 0.00 1.32 -0.62 2.41 -1.51 -1.79 -0.99 116.25 115.06 3dl4 h VAL 171 Ca -0.41 -1.56 0.07 0.00 -1.23 0.00 0.00 66.70 63.57 3dl4 h VAL 171 Cb 1.31 1.76 -0.04 0.00 -2.13 0.00 0.00 31.29 32.20 3dl4 h VAL 171 CO 0.60 0.46 0.41 1.23 -1.23 0.00 0.00 177.57 179.04 3dl4 h GLY 172 N 1.29 0.74 1.95 5.19 0.00 -0.97 0.14 103.07 111.41 3dl4 h GLY 172 Ca 0.01 -0.23 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 3dl4 h GLY 172 CO 0.06 0.17 -0.84 1.41 0.00 0.00 0.00 176.54 177.34 3dl4 h LEU 173 N 0.57 0.06 -0.46 3.11 3.38 -1.47 -2.44 115.31 118.07 3dl4 h LEU 173 Ca 0.27 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.03 3dl4 h LEU 173 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3dl4 h LEU 173 CO -0.08 0.87 -0.77 -0.07 0.09 0.00 0.00 178.44 178.48 3dl4 h LEU 174 N 0.02 0.14 -0.08 1.67 3.38 -0.37 -0.67 115.31 119.40 3dl4 h LEU 174 Ca -0.02 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3dl4 h LEU 174 Cb 1.47 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 3dl4 h LEU 174 CO 0.11 0.85 -0.12 0.44 0.09 0.00 0.00 178.44 179.81 3dl4 h ASP 175 N 0.07 -0.36 -0.46 -0.43 3.32 -0.58 0.27 116.42 118.24 3dl4 h ASP 175 Ca -0.02 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.16 3dl4 h ASP 175 Cb 1.35 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 41.01 3dl4 h ASP 175 CO 0.11 -0.16 0.15 1.56 -1.72 0.00 0.00 179.24 179.18 3dl4 h GLN 176 N -0.16 0.31 -0.48 3.56 4.20 -1.00 -1.35 115.11 120.18 3dl4 h GLN 176 Ca 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3dl4 h GLN 176 Cb 0.26 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3dl4 h GLN 176 CO -0.18 0.20 0.21 -0.09 -0.67 0.00 0.00 178.83 178.31 3dl4 h ARG 177 N 0.31 0.71 -0.89 1.46 2.43 -0.58 -0.87 114.38 116.95 3dl4 h ARG 177 Ca 0.22 -0.11 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3dl4 h ARG 177 Cb 0.24 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 3dl4 h ARG 177 CO -0.24 0.61 0.58 1.25 -1.51 0.00 0.00 179.97 180.66 3dl4 h LEU 178 N 0.63 0.88 -0.78 3.80 5.85 -0.14 0.11 115.31 125.66 3dl4 h LEU 178 Ca 0.16 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 3dl4 h LEU 178 Cb 0.15 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3dl4 h LEU 178 CO -0.02 0.56 -0.11 0.00 -0.34 0.00 0.00 178.44 178.54 3dl4 h ALA 179 N 1.52 0.97 -0.64 1.25 0.00 -0.39 0.75 119.26 122.71 3dl4 h ALA 179 Ca 0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dl4 h ALA 179 Cb 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3dl4 h ALA 179 CO -0.14 0.61 0.34 -0.07 0.00 0.00 0.00 179.25 179.98 3dl4 h LEU 180 N 0.73 0.81 -0.89 0.00 4.07 -0.46 -1.50 115.31 118.07 3dl4 h LEU 180 Ca 0.12 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3dl4 h LEU 180 Cb 0.60 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.09 3dl4 h LEU 180 CO 0.04 0.69 0.53 1.56 -1.08 0.00 0.00 178.44 180.18 3dl4 h GLN 181 N 0.88 1.22 -0.80 1.13 4.20 -0.53 -2.26 115.11 118.95 3dl4 h GLN 181 Ca 0.22 -0.12 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3dl4 h GLN 181 Cb 0.07 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.54 3dl4 h GLN 181 CO -0.03 0.86 0.50 2.35 -0.67 0.00 0.00 178.83 181.84 3dl4 h TRP 182 N 1.23 0.93 -0.26 2.96 7.01 -0.23 -2.30 115.95 125.29 3dl4 h TRP 182 Ca 0.32 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.34 3dl4 h TRP 182 Cb -0.03 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 26.71 3dl4 h TRP 182 CO 0.00 0.51 0.13 0.28 -2.79 0.00 0.00 178.44 176.57 3dl4 h VAL 183 N 0.95 1.14 -0.87 2.65 2.07 -0.96 -1.61 116.25 119.62 3dl4 h VAL 183 Ca 0.33 -0.40 0.19 0.00 0.82 0.00 0.00 66.70 67.65 3dl4 h VAL 183 Cb 0.08 0.92 -0.11 0.00 -1.52 0.00 0.00 31.29 30.66 3dl4 h VAL 183 CO -0.14 0.14 0.40 1.56 0.02 0.00 0.00 177.57 179.56 3dl4 h GLN 184 N 0.30 0.47 0.00 1.57 1.08 -0.89 -1.18 115.11 116.45 3dl4 h GLN 184 Ca 0.09 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3dl4 h GLN 184 Cb 0.11 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3dl4 h GLN 184 CO -0.01 0.31 -0.52 0.39 -0.95 0.00 0.00 178.83 178.04 3dl4 n GLU 185 N -4.98 0.28 0.00 1.46 1.02 -0.92 -4.52 120.64 112.98 3dl4 n GLU 185 Ca 0.20 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 3dl4 n GLU 185 Cb 0.56 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 3dl4 n GLU 185 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dl4 n ASN 186 N -2.13 0.70 0.15 1.62 3.02 -0.65 -4.80 115.26 113.17 3dl4 n ASN 186 Ca 0.04 -0.05 -0.00 0.00 -0.03 0.00 0.00 54.58 54.53 3dl4 n ASN 186 Cb 0.44 0.25 0.22 0.00 -0.61 0.00 0.00 39.78 40.07 3dl4 n ASN 186 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3dl4 h ILE 187 N 0.00 1.40 -0.98 2.41 6.09 -1.42 -2.51 117.51 122.50 3dl4 h ILE 187 Ca 0.00 -1.92 0.22 0.00 -1.37 0.00 0.00 64.86 61.79 3dl4 h ILE 187 Cb 0.00 2.04 -0.08 0.00 0.47 0.00 0.00 36.82 39.24 3dl4 h ILE 187 CO 0.00 0.55 0.63 0.00 -3.07 0.00 0.00 178.15 176.26 3dl4 h ALA 188 N 1.44 2.10 0.00 0.18 0.00 -1.79 0.24 119.26 121.43 3dl4 h ALA 188 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dl4 h ALA 188 Cb 0.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dl4 h ALA 188 CO 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 179.25 178.87 3dl4 h ALA 189 N 1.62 1.00 -0.08 0.00 0.00 -1.75 0.30 119.26 120.35 3dl4 h ALA 189 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3dl4 h ALA 189 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dl4 h ALA 189 CO -0.26 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.18 3dl4 n PHE 190 N -2.75 0.07 -1.50 0.00 3.01 0.74 -4.86 117.46 112.17 3dl4 n PHE 190 Ca -0.01 -0.05 -0.00 0.00 1.01 0.00 0.00 57.45 58.40 3dl4 n PHE 190 Cb 0.16 -0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.63 3dl4 n PHE 190 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl4 n GLY 191 N 1.04 0.38 3.91 1.37 0.00 0.10 -4.56 105.19 107.44 3dl4 n GLY 191 Ca 0.11 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 3dl4 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dl4 s GLY 192 N -2.99 1.49 -0.43 -0.02 0.00 -0.60 -1.85 107.32 102.93 3dl4 s GLY 192 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 44.72 44.00 3dl4 s GLY 192 CO 0.00 -0.40 0.35 -0.35 0.00 0.00 0.00 173.10 172.70 3dl4 s ASP 193 N -4.12 6.13 0.00 1.64 -1.08 0.19 -3.41 116.67 116.02 3dl4 s ASP 193 Ca 0.47 -0.93 0.10 0.00 -0.52 0.00 0.00 52.55 51.67 3dl4 s ASP 193 Cb -0.10 -2.18 0.53 0.00 -1.46 0.00 0.00 42.92 39.71 3dl4 s ASP 193 CO 0.44 -0.52 1.18 -0.81 0.52 0.00 0.00 175.17 175.98 3dl4 n PRO 194 N 5.27 0.18 0.00 4.34 -0.04 -1.26 -1.83 135.00 141.66 3dl4 n PRO 194 Ca -0.10 0.16 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 3dl4 n PRO 194 Cb 0.46 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.69 3dl4 n PRO 194 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3dl4 n MET 195 N -1.23 1.56 -3.44 0.54 2.81 -1.26 -4.41 117.12 111.68 3dl4 n MET 195 Ca 0.05 -1.12 -0.27 0.00 -1.81 0.00 0.00 57.70 54.55 3dl4 n MET 195 Cb 0.07 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.00 3dl4 n MET 195 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3dl4 s SER 196 N -2.22 1.76 -0.19 7.83 0.15 -0.76 -4.91 113.70 115.36 3dl4 s SER 196 Ca 0.28 -3.07 -0.03 0.00 0.70 0.00 0.00 55.95 53.83 3dl4 s SER 196 Cb 0.20 -0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 3dl4 s SER 196 CO 0.42 -0.17 -0.06 -0.69 1.20 0.00 0.00 173.24 173.94 3dl4 s VAL 197 N 0.01 3.43 -0.16 4.45 1.01 -1.26 -0.24 120.40 127.65 3dl4 s VAL 197 Ca 0.31 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3dl4 s VAL 197 Cb 0.01 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3dl4 s VAL 197 CO -0.18 0.45 -0.17 -0.89 0.00 0.00 0.00 175.10 174.31 3dl4 s THR 198 N 1.06 2.51 0.10 3.92 2.01 0.09 -0.29 115.64 125.05 3dl4 s THR 198 Ca 0.01 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 3dl4 s THR 198 Cb -0.15 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.24 3dl4 s THR 198 CO -0.00 0.52 0.59 -0.76 -0.69 0.00 0.00 174.62 174.27 3dl4 s LEU 199 N 0.87 4.50 0.03 4.42 1.43 -0.62 -0.62 118.68 128.70 3dl4 s LEU 199 Ca -0.05 1.27 -0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3dl4 s LEU 199 Cb -0.15 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 3dl4 s LEU 199 CO -0.02 0.24 -0.04 0.72 0.23 0.00 0.00 176.35 177.49 3dl4 s PHE 200 N -1.18 0.40 0.01 0.29 -0.71 0.03 -0.35 117.98 116.47 3dl4 s PHE 200 Ca 0.31 -0.71 -0.28 0.00 -1.04 0.00 0.00 56.93 55.21 3dl4 s PHE 200 Cb -0.19 -0.28 0.10 0.00 -1.21 0.00 0.00 43.02 41.44 3dl4 s PHE 200 CO 0.20 -0.24 0.88 0.20 -1.34 0.00 0.00 175.22 174.92 3dl4 s GLY 201 N -1.98 -0.46 -0.12 1.99 0.00 -1.04 -1.15 107.32 104.56 3dl4 s GLY 201 Ca -0.07 0.94 0.16 0.00 0.00 0.00 0.00 44.72 45.75 3dl4 s GLY 201 CO -0.04 0.31 1.19 -2.21 0.00 0.00 0.00 173.10 172.35 3dl4 n GLU 202 N -0.26 0.96 0.00 2.90 0.00 -1.21 -1.37 120.64 121.66 3dl4 n GLU 202 Ca -0.09 -2.70 0.00 0.00 0.00 0.00 0.00 57.16 54.37 3dl4 n GLU 202 Cb 0.62 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 31.03 3dl4 n GLU 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dl4 n ALA 204 N -0.56 0.00 -0.16 4.31 0.00 -1.26 -2.72 120.51 120.12 3dl4 n ALA 204 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.52 3dl4 n ALA 204 Cb 0.84 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.33 3dl4 n ALA 204 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dl4 h GLY 205 N 0.00 0.68 0.83 0.00 0.00 -1.70 0.13 103.07 103.01 3dl4 h GLY 205 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3dl4 h GLY 205 CO 0.00 0.14 0.02 0.00 0.00 0.00 0.00 176.54 176.70 3dl4 h ALA 206 N 1.24 0.06 -0.79 3.60 0.00 -1.59 0.14 119.26 121.93 3dl4 h ALA 206 Ca 0.21 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.20 3dl4 h ALA 206 Cb 0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 3dl4 h ALA 206 CO -0.12 -0.35 0.15 0.00 0.00 0.00 0.00 179.25 178.93 3dl4 h ALA 207 N 0.84 1.01 -0.61 0.00 0.00 -1.70 0.10 119.26 118.90 3dl4 h ALA 207 Ca 0.01 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3dl4 h ALA 207 Cb 0.19 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3dl4 h ALA 207 CO -0.00 -0.40 0.32 0.77 0.00 0.00 0.00 179.25 179.94 3dl4 h SER 208 N 0.21 0.77 -0.23 0.00 0.02 -0.09 0.67 113.55 114.90 3dl4 h SER 208 Ca 0.46 -0.11 0.04 0.00 -0.84 0.00 0.00 61.79 61.34 3dl4 h SER 208 Cb 0.83 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 3dl4 h SER 208 CO -0.59 0.66 0.00 0.58 -1.14 0.00 0.00 176.83 176.34 3dl4 h VAL 209 N 0.82 0.85 -0.66 2.27 2.07 0.99 -1.51 116.25 121.07 3dl4 h VAL 209 Ca 0.21 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.77 3dl4 h VAL 209 Cb 0.07 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3dl4 h VAL 209 CO -0.03 0.01 0.44 1.23 0.02 0.00 0.00 177.57 179.24 3dl4 h GLY 210 N 0.08 0.82 1.57 2.17 0.00 -0.40 -0.84 103.07 106.46 3dl4 h GLY 210 Ca 0.11 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 3dl4 h GLY 210 CO -0.18 0.18 -0.44 -0.33 0.00 0.00 0.00 176.54 175.78 3dl4 h MET 211 N 0.63 0.47 -0.11 4.80 2.86 0.02 -1.92 114.93 121.68 3dl4 h MET 211 Ca 0.29 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3dl4 h MET 211 Cb 0.32 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3dl4 h MET 211 CO -0.09 0.82 -0.13 0.45 1.06 0.00 0.00 176.91 179.02 3dl4 h HIS 212 N 0.38 0.17 -0.89 -0.22 3.86 -0.23 0.17 115.15 118.39 3dl4 h HIS 212 Ca 0.03 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3dl4 h HIS 212 Cb 0.93 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 29.31 3dl4 h HIS 212 CO 0.03 0.30 0.48 0.82 0.86 0.00 0.00 177.93 180.42 3dl4 h ILE 213 N 0.16 1.26 -0.27 2.45 2.04 -0.93 -3.05 117.51 119.17 3dl4 h ILE 213 Ca 0.03 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3dl4 h ILE 213 Cb 0.34 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3dl4 h ILE 213 CO 0.02 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.64 3dl4 n LEU 214 N -4.33 2.68 -4.15 1.44 4.77 -0.43 -4.76 117.00 112.22 3dl4 n LEU 214 Ca 0.09 -1.12 -0.34 0.00 -0.03 0.00 0.00 56.01 54.62 3dl4 n LEU 214 Cb 0.10 -0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 3dl4 n LEU 214 CO 0.39 0.56 -0.43 -0.55 -1.33 0.00 0.00 177.39 176.03 3dl4 s SER 215 N -1.57 4.29 0.19 -1.43 0.15 -0.08 -4.79 113.70 110.45 3dl4 s SER 215 Ca 0.35 -1.06 -0.13 0.00 0.70 0.00 0.00 55.95 55.81 3dl4 s SER 215 Cb 0.20 -1.61 0.19 0.00 -1.71 0.00 0.00 66.02 63.09 3dl4 s SER 215 CO 0.29 -0.15 1.71 0.25 1.20 0.00 0.00 173.24 176.55 3dl4 h LEU 216 N 7.93 -0.01 -1.61 3.45 6.46 -1.84 0.05 115.31 129.73 3dl4 h LEU 216 Ca -0.29 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3dl4 h LEU 216 Cb 1.08 0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 3dl4 h LEU 216 CO 0.54 0.02 0.00 -0.65 -0.62 0.00 0.00 178.44 177.73 3dl4 h PRO 217 N 0.23 0.00 0.01 5.25 0.11 -1.95 -1.66 132.00 133.99 3dl4 h PRO 217 Ca 0.25 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.11 3dl4 h PRO 217 Cb 0.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3dl4 h PRO 217 CO -0.33 0.00 -1.33 0.77 -0.21 0.00 0.00 178.00 176.90 3dl4 h SER 218 N 0.00 0.03 -0.64 -2.05 0.02 -1.22 -3.38 113.55 106.31 3dl4 h SER 218 Ca 0.00 -0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.08 3dl4 h SER 218 Cb 0.08 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3dl4 h SER 218 CO 0.00 1.03 0.45 0.03 -1.14 0.00 0.00 176.83 177.21 3dl4 h ARG 219 N 0.01 0.11 0.00 3.45 2.47 -1.21 0.28 114.38 119.49 3dl4 h ARG 219 Ca -0.14 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3dl4 h ARG 219 Cb 1.89 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 30.18 3dl4 h ARG 219 CO 0.11 0.07 0.00 -1.13 0.56 0.00 0.00 179.97 179.58 3dl4 n SER 220 N -4.39 0.00 -0.32 7.04 3.41 -1.26 -3.83 113.62 114.28 3dl4 n SER 220 Ca 0.12 -0.93 0.07 0.00 -0.26 0.00 0.00 58.87 57.88 3dl4 n SER 220 Cb 0.64 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 3dl4 n SER 220 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dl4 n LEU 221 N -0.99 1.48 -4.07 1.04 4.77 0.99 -5.00 117.00 115.22 3dl4 n LEU 221 Ca 0.21 -0.75 -0.12 0.00 -0.03 0.00 0.00 56.01 55.32 3dl4 n LEU 221 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3dl4 n LEU 221 CO 0.16 0.29 0.09 0.72 -1.33 0.00 0.00 177.39 177.32 3dl4 s PHE 222 N -1.78 0.76 0.00 -1.77 -0.71 -1.25 -4.87 117.98 108.36 3dl4 s PHE 222 Ca 0.12 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 54.96 3dl4 s PHE 222 Cb 0.12 -0.04 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 3dl4 s PHE 222 CO 0.38 -0.99 0.00 0.72 -1.34 0.00 0.00 175.22 173.99 3dl4 n HIS 223 N -0.43 0.00 -3.47 3.49 8.25 0.60 -4.92 115.22 118.74 3dl4 n HIS 223 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3dl4 n HIS 223 Cb 0.62 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.71 3dl4 n HIS 223 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3dl4 s ARG 224 N -0.82 1.22 -0.00 -0.41 0.52 -1.20 -4.28 118.95 113.98 3dl4 s ARG 224 Ca 0.00 -0.43 -0.04 0.00 -0.52 0.00 0.00 55.73 54.75 3dl4 s ARG 224 Cb 0.00 0.56 -0.00 0.00 0.52 0.00 0.00 34.95 36.03 3dl4 s ARG 224 CO 0.00 -0.51 0.07 0.00 0.02 0.00 0.00 175.30 174.88 3dl4 s ALA 225 N -3.46 -0.16 -0.13 2.13 0.00 -0.83 -1.58 121.76 117.73 3dl4 s ALA 225 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3dl4 s ALA 225 Cb -0.01 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.19 3dl4 s ALA 225 CO -0.10 -0.15 -0.11 0.08 0.00 0.00 0.00 175.76 175.48 3dl4 s VAL 226 N -1.01 1.31 -0.33 0.00 1.01 0.52 -1.08 120.40 120.82 3dl4 s VAL 226 Ca -0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3dl4 s VAL 226 Cb -0.06 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3dl4 s VAL 226 CO 0.00 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 174.83 3dl4 s LEU 227 N 1.52 4.22 -0.25 3.92 1.02 0.90 -2.49 118.68 127.51 3dl4 s LEU 227 Ca 0.03 -1.20 -0.08 0.00 0.02 0.00 0.00 54.13 52.90 3dl4 s LEU 227 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.22 3dl4 s LEU 227 CO -0.08 -0.31 0.10 -1.10 0.02 0.00 0.00 176.35 174.98 3dl4 s GLN 228 N 1.35 3.76 -1.42 1.70 -0.21 -0.47 -2.46 119.66 121.91 3dl4 s GLN 228 Ca -0.03 -0.42 -0.13 0.00 0.02 0.00 0.00 55.36 54.80 3dl4 s GLN 228 Cb -0.20 -3.41 0.11 0.00 1.00 0.00 0.00 33.01 30.51 3dl4 s GLN 228 CO 0.02 -0.16 0.60 0.43 -2.12 0.00 0.00 175.29 174.06 3dl4 n SER 229 N 4.87 -3.38 -3.54 5.90 7.64 0.66 -4.28 113.62 121.49 3dl4 n SER 229 Ca -0.16 -0.64 -0.08 0.00 1.01 0.00 0.00 58.87 59.01 3dl4 n SER 229 Cb 0.52 -2.79 -0.02 0.00 -1.01 0.00 0.00 64.21 60.91 3dl4 n SER 229 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3dl4 s GLY 230 N -2.94 -0.44 0.07 0.23 0.00 -1.26 -4.82 107.32 98.17 3dl4 s GLY 230 Ca 0.55 0.80 -0.14 0.00 0.00 0.00 0.00 44.72 45.93 3dl4 s GLY 230 CO 0.67 0.26 0.31 -0.51 0.00 0.00 0.00 173.10 173.83 3dl4 s THR 231 N -3.21 0.09 0.23 0.90 -4.23 -1.26 -4.21 115.64 103.94 3dl4 s THR 231 Ca 0.06 -0.74 0.06 0.00 -1.18 0.00 0.00 61.69 59.90 3dl4 s THR 231 Cb -0.01 -1.06 -0.07 0.00 1.34 0.00 0.00 72.50 72.70 3dl4 s THR 231 CO -0.07 -0.41 1.53 1.55 -0.54 0.00 0.00 174.62 176.68 3dl4 h PRO 232 N 2.93 0.14 -7.63 3.99 0.13 -1.84 -3.39 132.00 126.33 3dl4 h PRO 232 Ca -0.33 -0.11 -0.46 0.00 -0.87 0.00 0.00 66.00 64.24 3dl4 h PRO 232 Cb 1.21 0.02 0.13 0.00 0.13 0.00 0.00 31.00 32.50 3dl4 h PRO 232 CO 0.48 0.76 0.36 0.54 -0.23 0.00 0.00 178.00 179.92 3dl4 s ASN 233 N -6.88 3.53 0.00 1.44 4.22 -1.26 -4.56 114.94 111.43 3dl4 s ASN 233 Ca -0.03 0.66 0.00 0.00 -2.14 0.00 0.00 52.86 51.36 3dl4 s ASN 233 Cb 0.12 -1.02 0.00 0.00 1.28 0.00 0.00 41.25 41.62 3dl4 s ASN 233 CO 0.79 -2.51 0.00 0.61 -2.04 0.00 0.00 177.10 173.96 3dl4 n GLY 234 N -2.97 0.34 0.20 0.45 0.00 -1.26 -4.75 105.19 97.21 3dl4 n GLY 234 Ca 0.10 -2.08 0.05 0.00 0.00 0.00 0.00 46.02 44.09 3dl4 n GLY 234 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dl4 h PRO 235 N 0.00 0.00 0.00 1.61 0.13 -1.87 -3.36 132.00 128.51 3dl4 h PRO 235 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3dl4 h PRO 235 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dl4 h PRO 235 CO 0.00 0.33 -1.25 -2.67 -0.23 0.00 0.00 178.00 174.18 3dl4 n TRP 236 N -3.86 0.00 0.15 1.56 4.27 -1.26 -4.75 117.44 113.56 3dl4 n TRP 236 Ca -0.01 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.70 3dl4 n TRP 236 Cb 0.40 -0.15 0.07 0.00 -1.36 0.00 0.00 31.31 30.28 3dl4 n TRP 236 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dl4 h ALA 237 N 0.65 0.73 -2.28 -1.67 0.00 -1.84 -3.43 119.26 111.41 3dl4 h ALA 237 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 3dl4 h ALA 237 Cb 0.30 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.96 3dl4 h ALA 237 CO 0.00 0.06 -0.65 0.95 0.00 0.00 0.00 179.25 179.61 3dl4 s THR 238 N -3.26 0.72 0.08 0.00 -4.23 -1.26 -3.66 115.64 104.04 3dl4 s THR 238 Ca 0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3dl4 s THR 238 Cb 0.07 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 3dl4 s THR 238 CO 0.74 -0.34 -0.06 0.68 -0.54 0.00 0.00 174.62 175.09 3dl4 s VAL 239 N -3.63 0.57 0.89 2.29 -7.23 -0.93 -4.99 120.40 107.38 3dl4 s VAL 239 Ca 0.28 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 3dl4 s VAL 239 Cb 0.06 -1.61 0.13 0.00 0.56 0.00 0.00 36.38 35.52 3dl4 s VAL 239 CO 0.07 -0.89 1.11 -0.94 -0.31 0.00 0.00 175.10 174.14 3dl4 s SER 240 N -2.96 3.62 0.10 4.85 1.04 -1.26 -1.51 113.70 117.58 3dl4 s SER 240 Ca 0.10 1.17 -0.22 0.00 0.48 0.00 0.00 55.95 57.48 3dl4 s SER 240 Cb 0.05 -1.82 -0.11 0.00 0.10 0.00 0.00 66.02 64.25 3dl4 s SER 240 CO -0.06 -2.50 1.74 0.00 0.98 0.00 0.00 173.24 173.40 3dl4 h ALA 241 N -1.46 0.07 -0.58 5.32 0.00 -1.94 -0.77 119.26 119.89 3dl4 h ALA 241 Ca -0.50 0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.54 3dl4 h ALA 241 Cb 1.31 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 3dl4 h ALA 241 CO 0.59 -0.46 -0.03 0.78 0.00 0.00 0.00 179.25 180.13 3dl4 h GLY 242 N 0.04 0.58 2.00 0.00 0.00 -1.93 0.20 103.07 103.95 3dl4 h GLY 242 Ca 0.03 0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 3dl4 h GLY 242 CO -0.05 -0.19 -0.62 -2.09 0.00 0.00 0.00 176.54 173.59 3dl4 h GLU 243 N 0.09 0.00 -0.28 4.80 4.57 -1.89 -2.28 114.58 119.59 3dl4 h GLU 243 Ca 0.30 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.33 3dl4 h GLU 243 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3dl4 h GLU 243 CO -0.52 0.62 -0.42 0.00 -1.18 0.00 0.00 179.01 177.51 3dl4 h ALA 244 N 1.38 0.43 -0.80 2.92 0.00 0.43 -2.29 119.26 121.33 3dl4 h ALA 244 Ca -0.01 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3dl4 h ALA 244 Cb 1.26 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3dl4 h ALA 244 CO 0.08 0.55 0.52 -0.09 0.00 0.00 0.00 179.25 180.32 3dl4 h ARG 245 N 0.53 0.97 0.06 0.00 2.43 -0.54 -0.78 114.38 117.05 3dl4 h ARG 245 Ca 0.03 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3dl4 h ARG 245 Cb 1.02 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3dl4 h ARG 245 CO 0.10 0.65 -0.03 -0.09 -1.51 0.00 0.00 179.97 179.09 3dl4 h ARG 246 N 1.00 -0.07 -0.61 0.20 2.43 -1.13 -0.15 114.38 116.05 3dl4 h ARG 246 Ca 0.31 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.41 3dl4 h ARG 246 Cb 0.00 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3dl4 h ARG 246 CO -0.09 0.33 0.09 0.00 -1.51 0.00 0.00 179.97 178.79 3dl4 h ARG 247 N -0.49 1.00 0.55 0.20 3.08 -1.30 0.35 114.38 117.77 3dl4 h ARG 247 Ca -0.01 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 3dl4 h ARG 247 Cb 0.43 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 30.37 3dl4 h ARG 247 CO 0.01 0.93 -0.26 0.00 -1.07 0.00 0.00 179.97 179.58 3dl4 h ALA 248 N 1.15 -0.74 -0.56 0.04 0.00 -0.96 0.30 119.26 118.49 3dl4 h ALA 248 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dl4 h ALA 248 Cb 0.42 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3dl4 h ALA 248 CO 0.01 -0.87 0.36 1.79 0.00 0.00 0.00 179.25 180.54 3dl4 h THR 249 N -0.83 1.15 0.00 0.00 1.35 -0.98 0.88 112.91 114.49 3dl4 h THR 249 Ca -0.08 -0.30 -0.07 0.00 -0.55 0.00 0.00 66.41 65.41 3dl4 h THR 249 Cb 0.60 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 3dl4 h THR 249 CO 0.12 0.15 -0.35 0.25 -0.25 0.00 0.00 175.52 175.44 3dl4 h LEU 250 N 0.77 0.00 -0.08 3.87 5.85 -0.57 -0.99 115.31 124.15 3dl4 h LEU 250 Ca 0.21 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.68 3dl4 h LEU 250 Cb -0.06 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.97 3dl4 h LEU 250 CO -0.04 0.35 -1.02 0.25 -0.34 0.00 0.00 178.44 177.64 3dl4 h LEU 251 N 0.00 0.63 0.50 2.25 5.85 0.19 -2.21 115.31 122.52 3dl4 h LEU 251 Ca -0.00 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3dl4 h LEU 251 Cb 0.75 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3dl4 h LEU 251 CO 0.05 1.34 -0.39 0.00 -0.34 0.00 0.00 178.44 179.09 3dl4 h ALA 252 N 0.61 -1.13 -0.87 1.25 0.00 -0.79 -2.21 119.26 116.13 3dl4 h ALA 252 Ca -0.11 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 54.85 3dl4 h ALA 252 Cb 1.67 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 19.90 3dl4 h ALA 252 CO 0.18 -1.12 0.30 -0.09 0.00 0.00 0.00 179.25 178.52 3dl4 h ARG 253 N -0.86 0.29 0.00 0.00 2.43 -0.92 0.11 114.38 115.43 3dl4 h ARG 253 Ca -0.06 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 3dl4 h ARG 253 Cb 0.72 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 3dl4 h ARG 253 CO 0.01 0.19 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.47 3dl4 h LEU 254 N 0.29 0.00 -3.12 3.80 3.38 -0.94 -2.58 115.31 116.15 3dl4 h LEU 254 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3dl4 h LEU 254 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3dl4 h LEU 254 CO -0.58 0.12 0.00 1.33 0.09 0.00 0.00 178.44 179.39 3dl4 n VAL 255 N -3.44 1.77 -0.98 1.22 0.24 0.23 -4.94 118.33 112.43 3dl4 n VAL 255 Ca -0.01 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 60.85 3dl4 n VAL 255 Cb 0.28 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 3dl4 n VAL 255 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dl4 n GLY 256 N 0.15 0.96 3.33 7.63 0.00 -0.94 -5.07 105.19 111.26 3dl4 n GLY 256 Ca 0.19 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 3dl4 n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s PRO 258 N -0.16 3.05 0.06 0.00 0.02 -1.26 -2.58 135.00 134.12 3dl4 s PRO 258 Ca -0.03 0.31 -0.11 0.00 0.02 0.00 0.00 61.00 61.19 3dl4 s PRO 258 Cb -0.14 -2.15 -0.03 0.00 0.02 0.00 0.00 34.50 32.21 3dl4 s PRO 258 CO 0.04 -0.77 0.73 -2.30 -0.33 0.00 0.00 177.00 174.36 3dl4 n PRO 259 N -2.75 -0.16 -2.73 5.54 -0.01 -1.17 -3.96 135.00 129.76 3dl4 n PRO 259 Ca 0.05 0.72 -0.08 0.00 -0.01 0.00 0.00 63.50 64.18 3dl4 n PRO 259 Cb 0.57 -1.06 0.08 0.00 -0.01 0.00 0.00 33.50 33.07 3dl4 n PRO 259 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3dl4 n GLY 260 N -1.09 0.07 0.03 -1.23 0.00 -1.26 -5.03 105.19 96.67 3dl4 n GLY 260 Ca 0.01 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.20 3dl4 n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 261 N 0.85 -0.50 2.77 -0.02 0.00 -1.25 -5.04 105.19 101.99 3dl4 n GLY 261 Ca 0.05 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 3dl4 n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 262 N -2.97 2.75 0.00 4.61 0.00 -1.26 -5.08 121.76 119.81 3dl4 s ALA 262 Ca -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 51.96 48.80 3dl4 s ALA 262 Cb 0.01 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.15 3dl4 s ALA 262 CO 0.15 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.27 3dl4 n GLY 263 N 2.93 2.67 0.00 0.00 0.00 -1.26 -4.65 105.19 104.88 3dl4 n GLY 263 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3dl4 n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl4 n GLY 264 N 0.00 -1.59 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.39 3dl4 n GLY 264 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.03 3dl4 n GLY 264 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dl4 n ASN 265 N 0.00 0.00 -0.24 1.61 4.05 -1.26 -4.53 115.26 114.89 3dl4 n ASN 265 Ca 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 54.95 3dl4 n ASN 265 Cb 0.00 0.00 0.04 0.00 1.23 0.00 0.00 39.78 41.05 3dl4 n ASN 265 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 3dl4 h ASP 266 N 0.00 1.01 -0.62 1.20 3.32 -1.99 -2.96 116.42 116.37 3dl4 h ASP 266 Ca 0.00 -0.23 0.13 0.00 0.02 0.00 0.00 57.03 56.95 3dl4 h ASP 266 Cb 0.00 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 39.17 3dl4 h ASP 266 CO 0.00 0.97 -0.13 0.74 -1.72 0.00 0.00 179.24 179.10 3dl4 h THR 267 N 1.00 0.39 -0.38 0.35 2.02 -1.99 0.18 112.91 114.48 3dl4 h THR 267 Ca 0.21 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.29 3dl4 h THR 267 Cb 0.35 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3dl4 h THR 267 CO -0.00 0.00 -0.16 -0.33 0.37 0.00 0.00 175.52 175.40 3dl4 h GLU 268 N 0.02 0.77 -0.42 6.66 5.08 -1.78 -1.48 114.58 123.44 3dl4 h GLU 268 Ca 0.30 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3dl4 h GLU 268 Cb 0.47 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3dl4 h GLU 268 CO -0.62 0.95 0.11 1.25 -1.00 0.00 0.00 179.01 179.69 3dl4 h LEU 269 N 0.57 0.62 0.01 1.33 6.46 -1.08 -2.01 115.31 121.21 3dl4 h LEU 269 Ca 0.09 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.62 3dl4 h LEU 269 Cb 0.70 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3dl4 h LEU 269 CO 0.05 0.68 -0.01 0.40 -0.62 0.00 0.00 178.44 178.95 3dl4 h ILE 270 N 0.53 1.19 -0.81 4.05 2.04 -0.69 -1.74 117.51 122.08 3dl4 h ILE 270 Ca 0.13 -0.62 0.14 0.00 1.00 0.00 0.00 64.86 65.52 3dl4 h ILE 270 Cb 0.29 1.61 -0.15 0.00 -0.74 0.00 0.00 36.82 37.83 3dl4 h ILE 270 CO -0.00 0.16 -0.30 0.00 0.00 0.00 0.00 178.15 178.00 3dl4 h ALA 271 N 0.70 0.25 -0.82 1.87 0.00 -1.17 0.22 119.26 120.30 3dl4 h ALA 271 Ca -0.00 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3dl4 h ALA 271 Cb 0.27 0.80 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 3dl4 h ALA 271 CO 0.00 -0.55 0.52 0.00 0.00 0.00 0.00 179.25 179.22 3dl4 h LEU 273 N 0.99 0.97 -2.37 0.00 3.38 0.27 -2.23 115.31 116.32 3dl4 h LEU 273 Ca 0.34 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3dl4 h LEU 273 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3dl4 h LEU 273 CO -0.13 0.85 0.02 0.03 0.09 0.00 0.00 178.44 179.30 3dl4 h ARG 274 N 1.05 0.00 -0.00 1.13 3.08 -0.72 -2.02 114.38 116.91 3dl4 h ARG 274 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3dl4 h ARG 274 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3dl4 h ARG 274 CO -0.03 0.00 -0.02 0.25 -1.07 0.00 0.00 179.97 179.10 3dl4 n THR 275 N -3.95 0.00 -3.13 2.04 -2.24 -0.84 -4.84 114.28 101.32 3dl4 n THR 275 Ca -0.02 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 3dl4 n THR 275 Cb 0.11 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 3dl4 n THR 275 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dl4 s ARG 276 N -2.62 4.38 0.12 -0.78 1.81 -0.76 -5.02 118.95 116.08 3dl4 s ARG 276 Ca 0.26 0.92 -0.34 0.00 -1.72 0.00 0.00 55.73 54.85 3dl4 s ARG 276 Cb 0.20 -3.28 -0.14 0.00 -0.45 0.00 0.00 34.95 31.28 3dl4 s ARG 276 CO 0.48 0.53 1.59 -2.30 -0.68 0.00 0.00 175.30 174.91 3dl4 n PRO 277 N 1.97 2.04 -0.14 3.54 -0.02 -1.26 -4.87 135.00 136.25 3dl4 n PRO 277 Ca -0.07 0.74 -0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3dl4 n PRO 277 Cb 0.50 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3dl4 n PRO 277 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dl4 n ALA 278 N 3.68 -0.07 0.31 3.55 0.00 -1.26 0.79 120.51 127.50 3dl4 n ALA 278 Ca 0.18 0.36 0.20 0.00 0.00 0.00 0.00 53.44 54.17 3dl4 n ALA 278 Cb 0.28 -0.15 0.99 0.00 0.00 0.00 0.00 19.45 20.57 3dl4 n ALA 278 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3dl4 h GLN 279 N 0.00 0.00 -0.18 0.00 5.75 -1.99 -2.54 115.11 116.15 3dl4 h GLN 279 Ca 0.12 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.57 3dl4 h GLN 279 Cb 0.21 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.75 3dl4 h GLN 279 CO -0.36 0.01 -0.08 -0.44 -2.65 0.00 0.00 178.83 175.31 3dl4 h ASP 280 N 0.00 0.38 -0.11 -0.69 5.19 0.03 -0.54 116.42 120.68 3dl4 h ASP 280 Ca -0.00 -0.41 0.03 0.00 -0.62 0.00 0.00 57.03 56.04 3dl4 h ASP 280 Cb 0.22 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.59 3dl4 h ASP 280 CO 0.00 0.70 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.65 3dl4 h LEU 281 N 0.06 -0.33 -1.46 1.55 4.07 -1.48 -2.93 115.31 114.80 3dl4 h LEU 281 Ca 0.04 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3dl4 h LEU 281 Cb 0.56 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.44 3dl4 h LEU 281 CO 0.03 -0.14 0.27 0.58 -1.08 0.00 0.00 178.44 178.09 3dl4 h VAL 282 N -0.13 1.14 -0.62 1.22 2.07 -1.42 -2.03 116.25 116.49 3dl4 h VAL 282 Ca 0.08 -0.34 0.15 0.00 0.82 0.00 0.00 66.70 67.41 3dl4 h VAL 282 Cb 0.24 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3dl4 h VAL 282 CO -0.19 0.15 0.43 0.44 0.02 0.00 0.00 177.57 178.42 3dl4 h ASP 283 N 0.65 0.16 -0.08 0.57 3.32 -0.89 -2.80 116.42 117.35 3dl4 h ASP 283 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3dl4 h ASP 283 Cb -0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3dl4 h ASP 283 CO -0.03 0.09 0.00 1.41 -1.72 0.00 0.00 179.24 178.99 3dl4 n HIS 284 N -4.42 0.10 -0.34 4.55 8.25 -0.84 -4.64 115.22 117.87 3dl4 n HIS 284 Ca 0.12 -0.24 0.12 0.00 -0.26 0.00 0.00 57.72 57.46 3dl4 n HIS 284 Cb 0.57 -0.02 0.31 0.00 1.12 0.00 0.00 29.99 31.97 3dl4 n HIS 284 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 3dl4 h GLU 285 N 0.94 0.71 -0.01 -0.41 4.81 -1.10 -2.80 114.58 116.71 3dl4 h GLU 285 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3dl4 h GLU 285 Cb 0.40 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3dl4 h GLU 285 CO 0.00 0.47 -0.04 0.91 -0.73 0.00 0.00 179.01 179.62 3dl4 n TRP 286 N -4.79 0.00 -0.47 0.92 7.02 -1.26 -3.94 117.44 114.92 3dl4 n TRP 286 Ca 0.23 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.81 3dl4 n TRP 286 Cb 0.57 -0.02 0.33 0.00 -2.42 0.00 0.00 31.31 29.77 3dl4 n TRP 286 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3dl4 n HIS 287 N 0.01 1.17 0.81 -5.99 8.25 -1.06 -4.33 115.22 114.09 3dl4 n HIS 287 Ca 0.18 -0.55 0.09 0.00 -0.26 0.00 0.00 57.72 57.18 3dl4 n HIS 287 Cb 0.35 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.38 3dl4 n HIS 287 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3dl4 n VAL 288 N 1.39 0.00 -2.31 1.59 0.24 -1.25 -4.99 118.33 113.00 3dl4 n VAL 288 Ca 0.25 -0.37 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 3dl4 n VAL 288 Cb 0.73 1.27 -0.03 0.00 -1.47 0.00 0.00 33.84 34.34 3dl4 n VAL 288 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3dl4 s LEU 289 N -2.01 4.47 0.50 1.34 1.43 -1.26 -4.82 118.68 118.32 3dl4 s LEU 289 Ca 0.17 2.40 0.22 0.00 -1.03 0.00 0.00 54.13 55.89 3dl4 s LEU 289 Cb 0.15 -3.62 1.29 0.00 0.03 0.00 0.00 46.19 44.03 3dl4 s LEU 289 CO 0.40 -0.37 2.06 1.55 0.23 0.00 0.00 176.35 180.21 3dl4 h PRO 290 N 4.33 0.00 -4.77 1.29 0.13 -1.99 -3.44 132.00 127.55 3dl4 h PRO 290 Ca -0.46 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 3dl4 h PRO 290 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 3dl4 h PRO 290 CO 0.70 0.13 -0.67 -0.65 -0.23 0.00 0.00 178.00 177.29 3dl4 s GLN 291 N -4.46 1.07 0.45 0.86 1.11 -1.26 -5.12 119.66 112.31 3dl4 s GLN 291 Ca -0.04 -1.50 -0.25 0.00 0.01 0.00 0.00 55.36 53.58 3dl4 s GLN 291 Cb 0.15 -0.24 -0.08 0.00 -1.01 0.00 0.00 33.01 31.83 3dl4 s GLN 291 CO 0.63 -0.12 1.34 -2.00 0.01 0.00 0.00 175.29 175.15 3dl4 s GLU 292 N -3.91 3.70 0.05 2.91 2.12 -1.26 -4.98 118.70 117.33 3dl4 s GLU 292 Ca 0.22 2.22 -0.28 0.00 0.36 0.00 0.00 54.97 57.50 3dl4 s GLU 292 Cb 0.06 -2.60 0.10 0.00 0.26 0.00 0.00 34.13 31.95 3dl4 s GLU 292 CO 0.03 -0.73 1.17 -1.54 -0.54 0.00 0.00 175.26 173.64 3dl4 s SER 293 N -0.76 -0.09 0.23 -1.70 1.04 -1.26 -4.76 113.70 106.40 3dl4 s SER 293 Ca 0.61 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.83 3dl4 s SER 293 Cb -0.39 0.28 -0.05 0.00 0.10 0.00 0.00 66.02 65.96 3dl4 s SER 293 CO 0.50 -0.53 -0.00 0.27 0.98 0.00 0.00 173.24 174.45 3dl4 s ILE 294 N -2.68 1.04 -1.44 -1.02 -4.36 -1.10 -4.85 121.20 106.79 3dl4 s ILE 294 Ca 0.15 -2.03 -0.10 0.00 -0.26 0.00 0.00 60.65 58.40 3dl4 s ILE 294 Cb 0.02 -2.35 0.06 0.00 1.25 0.00 0.00 42.46 41.45 3dl4 s ILE 294 CO -0.01 -0.32 0.71 0.33 0.24 0.00 0.00 174.94 175.89 3dl4 n PHE 295 N -0.42 -2.03 -3.90 1.37 -0.00 -1.26 -4.86 117.46 106.36 3dl4 n PHE 295 Ca -0.05 0.65 -0.13 0.00 -0.00 0.00 0.00 57.45 57.92 3dl4 n PHE 295 Cb 0.64 -3.68 -0.14 0.00 -0.00 0.00 0.00 39.48 36.30 3dl4 n PHE 295 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3dl4 s ARG 296 N -6.18 0.05 -0.03 -4.13 6.06 -1.26 -4.70 118.95 108.76 3dl4 s ARG 296 Ca 0.48 -0.02 -0.02 0.00 -2.50 0.00 0.00 55.73 53.68 3dl4 s ARG 296 Cb -0.24 -0.05 0.01 0.00 0.06 0.00 0.00 34.95 34.73 3dl4 s ARG 296 CO 0.60 0.01 0.06 -0.06 -2.50 0.00 0.00 175.30 173.41 3dl4 s PHE 297 N 0.00 -0.06 0.07 5.12 0.08 -1.26 -5.06 117.98 116.88 3dl4 s PHE 297 Ca 0.00 0.18 -0.21 0.00 0.12 0.00 0.00 56.93 57.02 3dl4 s PHE 297 Cb -0.00 -0.03 -0.12 0.00 -0.57 0.00 0.00 43.02 42.30 3dl4 s PHE 297 CO -0.00 -0.05 1.58 0.77 -0.10 0.00 0.00 175.22 177.42 3dl4 h SER 298 N 6.35 0.19 -3.82 1.36 0.02 -1.91 -3.40 113.55 112.34 3dl4 h SER 298 Ca -0.29 -0.20 -0.67 0.00 -0.84 0.00 0.00 61.79 59.78 3dl4 h SER 298 Cb 1.19 -0.05 -0.36 0.00 0.14 0.00 0.00 62.40 63.31 3dl4 h SER 298 CO 0.47 0.34 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.38 3dl4 s PHE 299 N -5.39 3.33 0.18 3.45 0.08 -1.26 -5.03 117.98 113.34 3dl4 s PHE 299 Ca -0.14 -2.31 -0.00 0.00 0.12 0.00 0.00 56.93 54.60 3dl4 s PHE 299 Cb 0.06 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.35 3dl4 s PHE 299 CO 0.70 -0.87 0.08 0.14 -0.10 0.00 0.00 175.22 175.16 3dl4 s VAL 300 N 1.11 0.25 0.61 -0.44 -7.23 -1.26 -4.56 120.40 108.89 3dl4 s VAL 300 Ca -0.05 -1.97 -0.18 0.00 -1.81 0.00 0.00 61.98 57.97 3dl4 s VAL 300 Cb -0.20 -2.31 -0.06 0.00 0.56 0.00 0.00 36.38 34.37 3dl4 s VAL 300 CO -0.04 -0.23 0.74 -2.65 -0.31 0.00 0.00 175.10 172.60 3dl4 n PRO 301 N -0.24 0.63 -4.94 4.82 -0.02 -1.24 -4.72 135.00 129.29 3dl4 n PRO 301 Ca -0.02 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 3dl4 n PRO 301 Cb 0.65 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 3dl4 n PRO 301 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dl4 s VAL 302 N -1.67 2.52 -0.60 -1.45 0.11 -1.26 -2.18 120.40 115.88 3dl4 s VAL 302 Ca 0.72 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.39 3dl4 s VAL 302 Cb -0.41 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 3dl4 s VAL 302 CO 0.51 0.46 1.48 -0.69 -3.33 0.00 0.00 175.10 173.54 3dl4 s VAL 303 N -0.77 3.68 -0.71 2.04 1.01 -0.57 -4.66 120.40 120.42 3dl4 s VAL 303 Ca 0.12 0.52 0.08 0.00 0.00 0.00 0.00 61.98 62.71 3dl4 s VAL 303 Cb -0.10 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.85 3dl4 s VAL 303 CO 0.02 -1.24 0.54 -0.90 0.00 0.00 0.00 175.10 173.52 3dl4 n ASP 304 N 10.15 1.03 0.00 3.32 5.75 -1.22 -3.55 116.55 132.03 3dl4 n ASP 304 Ca 0.12 -1.01 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 3dl4 n ASP 304 Cb 0.50 0.51 0.00 0.00 -1.03 0.00 0.00 41.12 41.10 3dl4 n ASP 304 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dl4 n GLY 305 N 0.84 0.57 0.00 6.12 0.00 -0.30 -4.85 105.19 107.57 3dl4 n GLY 305 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3dl4 n GLY 305 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dl4 n ASP 306 N -0.08 0.00 -0.15 1.61 2.03 -1.26 -4.46 116.55 114.24 3dl4 n ASP 306 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 3dl4 n ASP 306 Cb 0.04 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.49 3dl4 n ASP 306 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3dl4 h PHE 307 N 0.00 0.02 -3.68 -0.67 3.04 -1.92 -3.33 116.94 110.41 3dl4 h PHE 307 Ca 0.00 0.03 -0.69 0.00 3.98 0.00 0.00 57.97 61.29 3dl4 h PHE 307 Cb 0.00 0.06 -0.32 0.00 2.56 0.00 0.00 35.95 38.25 3dl4 h PHE 307 CO 0.00 -0.08 -0.64 -0.51 -2.02 0.00 0.00 178.31 175.06 3dl4 s LEU 308 N -10.53 4.34 0.57 0.59 1.43 -1.26 -4.57 118.68 109.26 3dl4 s LEU 308 Ca -0.13 -1.44 0.36 0.00 -1.03 0.00 0.00 54.13 51.89 3dl4 s LEU 308 Cb 0.15 -1.78 1.59 0.00 0.03 0.00 0.00 46.19 46.18 3dl4 s LEU 308 CO 0.72 -0.35 2.07 0.77 0.23 0.00 0.00 176.35 179.79 3dl4 h SER 309 N 8.06 0.00 -2.85 2.29 4.64 -1.78 -0.78 113.55 123.13 3dl4 h SER 309 Ca -0.19 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3dl4 h SER 309 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3dl4 h SER 309 CO 0.59 0.01 0.12 -0.67 -0.87 0.00 0.00 176.83 176.01 3dl4 n ASP 310 N -3.10 -1.60 -4.75 4.97 -0.08 -1.26 -4.44 116.55 106.28 3dl4 n ASP 310 Ca -0.00 -2.34 -0.35 0.00 -1.51 0.00 0.00 54.79 50.59 3dl4 n ASP 310 Cb 0.26 2.73 0.04 0.00 2.34 0.00 0.00 41.12 46.49 3dl4 n ASP 310 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3dl4 s THR 311 N -2.43 2.69 0.40 5.18 -4.23 -1.26 -4.80 115.64 111.18 3dl4 s THR 311 Ca 0.16 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.15 3dl4 s THR 311 Cb -0.03 -3.09 0.29 0.00 1.34 0.00 0.00 72.50 71.01 3dl4 s THR 311 CO 0.12 -0.12 2.00 -0.65 -0.54 0.00 0.00 174.62 175.43 3dl4 h PRO 312 N 0.64 0.59 0.06 3.99 0.11 -1.97 0.57 132.00 135.99 3dl4 h PRO 312 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dl4 h PRO 312 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3dl4 h PRO 312 CO 0.54 0.39 -0.04 0.93 -0.21 0.00 0.00 178.00 179.62 3dl4 h GLU 313 N 0.61 -0.09 -0.98 1.05 3.07 -1.90 0.10 114.58 116.44 3dl4 h GLU 313 Ca 0.24 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 59.19 3dl4 h GLU 313 Cb 0.19 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.05 3dl4 h GLU 313 CO -0.07 -0.06 0.63 0.00 -1.40 0.00 0.00 179.01 178.11 3dl4 h ALA 314 N 0.84 1.48 0.00 3.43 0.00 -1.67 -2.07 119.26 121.27 3dl4 h ALA 314 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3dl4 h ALA 314 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3dl4 h ALA 314 CO 0.01 0.33 -0.57 -0.07 0.00 0.00 0.00 179.25 178.95 3dl4 h LEU 315 N 1.07 0.00 0.00 0.00 3.38 -0.23 -2.92 115.31 116.61 3dl4 h LEU 315 Ca 0.45 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.27 3dl4 h LEU 315 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3dl4 h LEU 315 CO -0.20 0.57 -0.95 0.16 0.09 0.00 0.00 178.44 178.12 3dl4 h ILE 316 N 0.00 0.85 0.00 1.22 3.07 -0.68 -1.91 117.51 120.05 3dl4 h ILE 316 Ca -0.01 -2.32 -0.06 0.00 1.55 0.00 0.00 64.86 64.03 3dl4 h ILE 316 Cb 1.24 2.34 -0.01 0.00 -0.27 0.00 0.00 36.82 40.12 3dl4 h ILE 316 CO 0.07 0.48 -0.27 0.78 -1.05 0.00 0.00 178.15 178.17 3dl4 h ASN 317 N 0.00 0.00 0.00 2.16 2.35 -1.24 -3.35 115.58 115.49 3dl4 h ASN 317 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3dl4 h ASN 317 Cb 1.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.91 3dl4 h ASN 317 CO 0.07 0.27 -0.05 0.35 -1.65 0.00 0.00 177.43 176.41 3dl4 n THR 318 N -3.62 0.00 -0.63 2.81 -2.24 -1.11 -5.06 114.28 104.42 3dl4 n THR 318 Ca -0.01 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 3dl4 n THR 318 Cb 0.39 0.97 0.23 0.00 -2.10 0.00 0.00 70.33 69.82 3dl4 n THR 318 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3dl4 s GLY 319 N -0.96 1.57 -0.25 3.38 0.00 -0.72 -5.01 107.32 105.33 3dl4 s GLY 319 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.70 3dl4 s GLY 319 CO 0.00 0.62 -0.11 -0.35 0.00 0.00 0.00 173.10 173.26 3dl4 s ASP 320 N -2.63 4.20 -0.42 1.64 2.15 -1.26 -4.91 116.67 115.44 3dl4 s ASP 320 Ca 0.68 -1.28 0.04 0.00 0.43 0.00 0.00 52.55 52.42 3dl4 s ASP 320 Cb -0.24 -1.48 0.46 0.00 -0.30 0.00 0.00 42.92 41.36 3dl4 s ASP 320 CO 0.63 -0.18 1.51 0.49 -0.17 0.00 0.00 175.17 177.46 3dl4 n PHE 321 N 4.49 2.73 -0.18 -5.34 3.72 -0.57 -4.80 117.46 117.51 3dl4 n PHE 321 Ca -0.14 -2.43 -0.06 0.00 -0.05 0.00 0.00 57.45 54.77 3dl4 n PHE 321 Cb 0.43 -0.74 0.03 0.00 -0.94 0.00 0.00 39.48 38.26 3dl4 n PHE 321 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3dl4 h GLN 322 N 1.98 0.68 -1.50 -1.08 1.08 -1.73 -2.41 115.11 112.12 3dl4 h GLN 322 Ca 0.44 -0.04 -0.70 0.00 -1.45 0.00 0.00 58.65 56.90 3dl4 h GLN 322 Cb 1.32 -0.15 -0.31 0.00 -0.05 0.00 0.00 27.48 28.28 3dl4 h GLN 322 CO 1.00 0.45 0.60 -0.25 -0.95 0.00 0.00 178.83 179.68 3dl4 n ASP 323 N -4.74 6.99 -4.04 1.46 8.00 -1.26 -4.63 116.55 118.34 3dl4 n ASP 323 Ca 0.03 -3.80 -0.26 0.00 0.71 0.00 0.00 54.79 51.47 3dl4 n ASP 323 Cb 0.04 -0.89 -0.17 0.00 -0.02 0.00 0.00 41.12 40.08 3dl4 n ASP 323 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dl4 s LEU 324 N -3.88 1.66 -0.13 0.64 2.96 -1.13 -4.97 118.68 113.82 3dl4 s LEU 324 Ca 0.56 -0.35 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 3dl4 s LEU 324 Cb 0.45 -0.93 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 3dl4 s LEU 324 CO -0.21 0.03 0.08 -1.10 -1.32 0.00 0.00 176.35 173.82 3dl4 s GLN 325 N 0.79 3.50 -0.01 1.98 1.11 -1.26 -0.86 119.66 124.90 3dl4 s GLN 325 Ca -0.12 -0.27 0.01 0.00 0.01 0.00 0.00 55.36 54.99 3dl4 s GLN 325 Cb -0.16 -3.09 0.01 0.00 -1.01 0.00 0.00 33.01 28.76 3dl4 s GLN 325 CO 0.02 0.59 -0.02 0.08 0.01 0.00 0.00 175.29 175.97 3dl4 s VAL 326 N -0.53 0.22 -0.18 1.09 1.01 -0.03 -1.96 120.40 120.03 3dl4 s VAL 326 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.05 3dl4 s VAL 326 Cb -0.12 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3dl4 s VAL 326 CO 0.02 0.10 -0.16 -0.22 0.00 0.00 0.00 175.10 174.84 3dl4 s LEU 327 N 0.39 2.34 0.04 3.92 2.96 -0.24 -1.12 118.68 126.97 3dl4 s LEU 327 Ca -0.04 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 3dl4 s LEU 327 Cb -0.07 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.06 3dl4 s LEU 327 CO -0.01 0.03 -0.13 0.68 -1.32 0.00 0.00 176.35 175.60 3dl4 s VAL 328 N 1.16 0.99 0.30 1.68 -7.23 -0.32 -0.07 120.40 116.91 3dl4 s VAL 328 Ca 0.01 -0.95 -0.19 0.00 -1.81 0.00 0.00 61.98 59.05 3dl4 s VAL 328 Cb -0.14 -0.91 0.05 0.00 0.56 0.00 0.00 36.38 35.94 3dl4 s VAL 328 CO -0.07 -0.03 0.83 -0.83 -0.31 0.00 0.00 175.10 174.70 3dl4 s GLY 329 N -1.10 0.15 0.20 2.32 0.00 -1.03 -1.65 107.32 106.21 3dl4 s GLY 329 Ca 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.25 3dl4 s GLY 329 CO 0.01 0.22 0.06 -1.34 0.00 0.00 0.00 173.10 172.05 3dl4 s VAL 330 N -2.78 0.43 0.51 1.40 -7.23 -0.90 -0.25 120.40 111.57 3dl4 s VAL 330 Ca 0.15 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.42 3dl4 s VAL 330 Cb -0.05 -2.35 0.05 0.00 0.56 0.00 0.00 36.38 34.60 3dl4 s VAL 330 CO 0.08 -0.23 0.70 0.68 -0.31 0.00 0.00 175.10 176.02 3dl4 s VAL 331 N -3.84 2.61 0.21 1.32 -7.23 -1.26 -0.76 120.40 111.44 3dl4 s VAL 331 Ca 0.31 -0.94 0.25 0.00 -1.81 0.00 0.00 61.98 59.79 3dl4 s VAL 331 Cb 0.07 -2.67 0.25 0.00 0.56 0.00 0.00 36.38 34.59 3dl4 s VAL 331 CO 0.08 0.00 1.88 0.50 -0.31 0.00 0.00 175.10 177.26 3dl4 h LYS 332 N 0.34 0.00 -1.96 4.82 3.64 -1.19 -3.34 116.57 118.88 3dl4 h LYS 332 Ca -0.36 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.53 3dl4 h LYS 332 Cb 1.28 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.70 3dl4 h LYS 332 CO 0.44 0.20 -1.12 -0.25 -2.27 0.00 0.00 179.45 176.45 3dl4 n ASP 333 N -3.45 1.39 -0.15 4.20 9.92 -0.62 -4.89 116.55 122.95 3dl4 n ASP 333 Ca -0.00 -3.09 0.28 0.00 -0.53 0.00 0.00 54.79 51.46 3dl4 n ASP 333 Cb 0.38 -0.60 0.71 0.00 -0.64 0.00 0.00 41.12 40.97 3dl4 n ASP 333 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3dl4 h GLU 334 N 2.99 0.00 -0.01 -1.24 4.39 -1.75 -2.60 114.58 116.37 3dl4 h GLU 334 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3dl4 h GLU 334 Cb 0.92 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 3dl4 h GLU 334 CO 0.55 0.00 -0.62 0.41 -1.16 0.00 0.00 179.01 178.18 3dl4 n GLY 335 N -1.67 -0.49 0.26 -3.84 0.00 -1.25 -4.49 105.19 93.70 3dl4 n GLY 335 Ca 0.18 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 3dl4 n GLY 335 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dl4 h SER 336 N 1.29 0.91 -0.29 1.61 4.64 -1.69 -3.33 113.55 116.69 3dl4 h SER 336 Ca 0.00 -0.40 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 3dl4 h SER 336 Cb 0.62 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 3dl4 h SER 336 CO 0.00 1.11 0.09 0.22 -0.87 0.00 0.00 176.83 177.39 3dl4 h TYR 337 N 0.70 0.17 -0.00 4.77 3.20 -1.79 -2.48 116.97 121.54 3dl4 h TYR 337 Ca 0.09 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3dl4 h TYR 337 Cb 0.77 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3dl4 h TYR 337 CO 0.06 0.07 -0.01 1.19 -1.64 0.00 0.00 178.16 177.83 3dl4 n PHE 338 N -5.04 0.00 -0.19 -3.82 3.72 -1.25 -3.67 117.46 107.21 3dl4 n PHE 338 Ca -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.38 3dl4 n PHE 338 Cb 0.10 -0.50 0.09 0.00 -0.94 0.00 0.00 39.48 38.24 3dl4 n PHE 338 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3dl4 h LEU 339 N 0.00 0.23 -0.67 4.37 3.38 -1.57 -1.06 115.31 120.00 3dl4 h LEU 339 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dl4 h LEU 339 Cb 0.50 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dl4 h LEU 339 CO 0.00 0.15 0.00 1.33 0.09 0.00 0.00 178.44 180.01 3dl4 n VAL 340 N -4.98 1.09 -0.24 1.22 0.24 -1.24 -1.03 118.33 113.39 3dl4 n VAL 340 Ca 0.07 0.41 0.03 0.00 -2.04 0.00 0.00 64.34 62.81 3dl4 n VAL 340 Cb 0.24 -1.34 0.25 0.00 -1.47 0.00 0.00 33.84 31.52 3dl4 n VAL 340 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3dl4 n TYR 341 N -1.99 1.41 0.00 6.34 4.02 -0.40 -4.70 117.16 121.83 3dl4 n TYR 341 Ca 0.01 -0.55 0.00 0.00 -0.01 0.00 0.00 57.90 57.35 3dl4 n TYR 341 Cb 0.13 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.05 3dl4 n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dl4 n GLY 342 N 0.31 -0.30 3.44 2.72 0.00 -1.14 -5.01 105.19 105.21 3dl4 n GLY 342 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 3dl4 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 343 N 0.00 4.70 0.10 1.61 1.01 -0.20 -4.97 120.40 122.65 3dl4 s VAL 343 Ca 0.00 -0.51 -0.35 0.00 0.00 0.00 0.00 61.98 61.12 3dl4 s VAL 343 Cb 0.00 -3.47 -0.14 0.00 0.00 0.00 0.00 36.38 32.77 3dl4 s VAL 343 CO 0.00 -0.03 1.55 -2.65 0.00 0.00 0.00 175.10 173.97 3dl4 n PRO 344 N 5.01 1.84 0.00 2.72 -0.02 -1.26 -1.93 135.00 141.36 3dl4 n PRO 344 Ca -0.13 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3dl4 n PRO 344 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3dl4 n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dl4 n GLY 345 N 3.29 1.43 3.59 -1.23 0.00 -1.26 -4.93 105.19 106.09 3dl4 n GLY 345 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3dl4 n GLY 345 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dl4 s PHE 346 N -2.09 3.12 -0.04 1.61 0.40 -0.81 -4.52 117.98 115.65 3dl4 s PHE 346 Ca 0.00 -0.04 -0.21 0.00 -0.60 0.00 0.00 56.93 56.08 3dl4 s PHE 346 Cb 0.00 -1.93 0.04 0.00 0.51 0.00 0.00 43.02 41.65 3dl4 s PHE 346 CO 0.00 0.18 0.46 0.45 0.70 0.00 0.00 175.22 177.02 3dl4 s SER 347 N -0.07 -0.39 0.28 1.36 0.15 -1.26 -4.62 113.70 109.14 3dl4 s SER 347 Ca 0.04 0.40 0.25 0.00 0.70 0.00 0.00 55.95 57.33 3dl4 s SER 347 Cb -0.13 0.46 0.96 0.00 -1.71 0.00 0.00 66.02 65.60 3dl4 s SER 347 CO 0.02 -0.48 1.75 0.07 1.20 0.00 0.00 173.24 175.80 3dl4 h LYS 348 N 3.69 0.00 0.00 5.44 2.10 -1.98 -3.36 116.57 122.45 3dl4 h LYS 348 Ca -0.28 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.24 3dl4 h LYS 348 Cb 1.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 3dl4 h LYS 348 CO 0.38 0.00 -0.78 -0.44 -2.00 0.00 0.00 179.45 176.61 3dl4 h ASP 349 N 0.00 0.00 -2.38 7.07 3.32 -2.01 -3.39 116.42 119.03 3dl4 h ASP 349 Ca 0.00 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3dl4 h ASP 349 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3dl4 h ASP 349 CO 0.00 1.20 0.00 -0.46 -1.72 0.00 0.00 179.24 178.26 3dl4 n ASN 350 N -4.53 0.00 -0.96 6.45 0.23 -1.26 -5.00 115.26 110.19 3dl4 n ASN 350 Ca -0.21 -0.94 0.11 0.00 -0.53 0.00 0.00 54.58 53.01 3dl4 n ASN 350 Cb 0.52 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.49 3dl4 n ASN 350 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3dl4 n GLU 351 N -0.94 2.25 -4.21 -3.83 1.02 -1.26 -4.82 120.64 108.85 3dl4 n GLU 351 Ca 0.00 -1.90 -0.35 0.00 -0.02 0.00 0.00 57.16 54.89 3dl4 n GLU 351 Cb 0.00 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.92 3dl4 n GLU 351 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dl4 n SER 352 N 1.11 -2.87 -4.57 1.62 7.64 -1.26 -4.88 113.62 110.40 3dl4 n SER 352 Ca 0.18 -1.02 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 3dl4 n SER 352 Cb 0.51 -2.73 -0.03 0.00 -1.01 0.00 0.00 64.21 60.95 3dl4 n SER 352 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dl4 s LEU 353 N -7.24 3.41 0.45 -3.43 1.43 -1.26 -4.73 118.68 107.31 3dl4 s LEU 353 Ca 0.65 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 3dl4 s LEU 353 Cb -0.36 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 3dl4 s LEU 353 CO 0.93 -2.14 0.66 0.27 0.23 0.00 0.00 176.35 176.30 3dl4 s ILE 354 N 8.56 3.91 0.64 -0.59 -4.36 -1.24 -4.98 121.20 123.13 3dl4 s ILE 354 Ca 0.79 -0.54 -0.04 0.00 -0.26 0.00 0.00 60.65 60.59 3dl4 s ILE 354 Cb -0.19 -3.44 0.04 0.00 1.25 0.00 0.00 42.46 40.13 3dl4 s ILE 354 CO 0.28 -0.30 0.93 -0.94 0.24 0.00 0.00 174.94 175.15 3dl4 s SER 355 N -4.23 5.10 0.37 4.36 1.04 -1.26 -4.20 113.70 114.87 3dl4 s SER 355 Ca 0.49 0.39 0.07 0.00 0.48 0.00 0.00 55.95 57.38 3dl4 s SER 355 Cb -0.10 -1.18 0.73 0.00 0.10 0.00 0.00 66.02 65.57 3dl4 s SER 355 CO 0.37 -1.37 1.91 -0.09 0.98 0.00 0.00 173.24 175.05 3dl4 h ARG 356 N -0.34 0.37 -0.08 4.02 2.43 -1.92 -2.00 114.38 116.87 3dl4 h ARG 356 Ca -0.44 -0.08 -0.25 0.00 -0.81 0.00 0.00 59.98 58.41 3dl4 h ARG 356 Cb 1.30 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 30.81 3dl4 h ARG 356 CO 0.58 0.44 -0.92 0.00 -1.51 0.00 0.00 179.97 178.56 3dl4 h ALA 357 N 1.60 0.22 -0.81 2.80 0.00 -2.00 -2.15 119.26 118.92 3dl4 h ALA 357 Ca 0.08 -0.65 0.07 0.00 0.00 0.00 0.00 54.91 54.40 3dl4 h ALA 357 Cb 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3dl4 h ALA 357 CO 0.01 0.69 0.53 1.96 0.00 0.00 0.00 179.25 182.44 3dl4 h GLN 358 N 0.47 0.85 -0.63 0.00 4.20 -1.90 -0.96 115.11 117.15 3dl4 h GLN 358 Ca -0.09 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3dl4 h GLN 358 Cb 1.56 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 3dl4 h GLN 358 CO 0.18 0.56 0.13 0.35 -0.67 0.00 0.00 178.83 179.39 3dl4 h PHE 359 N 0.88 1.08 -0.11 2.96 3.04 -1.07 0.93 116.94 124.64 3dl4 h PHE 359 Ca 0.35 -0.14 -0.17 0.00 3.98 0.00 0.00 57.97 61.99 3dl4 h PHE 359 Cb 0.24 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 3dl4 h PHE 359 CO -0.00 0.91 -0.65 -0.07 -2.02 0.00 0.00 178.31 176.47 3dl4 h LEU 360 N 0.93 0.50 -0.31 0.59 3.38 -0.63 -2.43 115.31 117.34 3dl4 h LEU 360 Ca 0.19 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.67 3dl4 h LEU 360 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3dl4 h LEU 360 CO 0.01 1.02 -0.85 0.00 0.09 0.00 0.00 178.44 178.70 3dl4 h ALA 361 N 0.98 0.56 0.00 1.53 0.00 -1.19 -2.97 119.26 118.17 3dl4 h ALA 361 Ca -0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 3dl4 h ALA 361 Cb 1.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dl4 h ALA 361 CO 0.11 0.93 -0.15 0.78 0.00 0.00 0.00 179.25 180.93 3dl4 h GLY 362 N 1.96 0.00 1.75 0.00 0.00 -0.73 -2.93 103.07 103.13 3dl4 h GLY 362 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.10 3dl4 h GLY 362 CO 0.13 0.00 -0.88 -2.08 0.00 0.00 0.00 176.54 173.71 3dl4 h VAL 363 N 0.00 1.48 0.00 4.60 2.07 -1.28 -0.20 116.25 122.93 3dl4 h VAL 363 Ca -0.00 -2.58 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 3dl4 h VAL 363 Cb 0.26 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3dl4 h VAL 363 CO 0.02 0.75 -0.11 0.03 0.02 0.00 0.00 177.57 178.28 3dl4 h ARG 364 N 0.12 0.00 0.19 1.57 2.47 -1.46 0.19 114.38 117.47 3dl4 h ARG 364 Ca -0.05 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 3dl4 h ARG 364 Cb 1.50 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.84 3dl4 h ARG 364 CO 0.14 0.11 -1.65 0.82 0.56 0.00 0.00 179.97 179.95 3dl4 h ILE 365 N 0.00 1.06 -0.00 2.04 2.04 -1.40 -3.26 117.51 117.99 3dl4 h ILE 365 Ca -0.00 -2.61 -0.17 0.00 1.00 0.00 0.00 64.86 63.07 3dl4 h ILE 365 Cb 0.61 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 3dl4 h ILE 365 CO 0.01 0.84 -0.80 1.23 0.00 0.00 0.00 178.15 179.44 3dl4 h GLY 366 N 0.77 0.06 -6.31 5.37 0.00 -0.74 -2.91 103.07 99.30 3dl4 h GLY 366 Ca -0.30 -0.10 -0.60 0.00 0.00 0.00 0.00 47.33 46.33 3dl4 h GLY 366 CO 0.20 0.09 -0.65 -0.62 0.00 0.00 0.00 176.54 175.56 3dl4 n VAL 367 N -3.63 1.88 0.29 4.60 0.31 0.65 -4.86 118.33 117.57 3dl4 n VAL 367 Ca -0.01 -5.02 0.18 0.00 -0.01 0.00 0.00 64.34 59.48 3dl4 n VAL 367 Cb 0.76 -2.09 0.77 0.00 -0.91 0.00 0.00 33.84 32.37 3dl4 n VAL 367 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dl4 h PRO 368 N 4.36 0.00 -0.15 5.55 0.13 -1.68 -1.44 132.00 138.78 3dl4 h PRO 368 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3dl4 h PRO 368 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3dl4 h PRO 368 CO 0.77 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.55 3dl4 n GLN 369 N -3.11 1.99 -2.52 0.86 0.00 -1.26 -4.91 117.38 108.43 3dl4 n GLN 369 Ca -0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 57.00 55.11 3dl4 n GLN 369 Cb 0.27 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 29.03 3dl4 n GLN 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3dl4 s ALA 370 N -1.83 3.39 0.93 2.61 0.00 -0.54 -5.04 121.76 121.29 3dl4 s ALA 370 Ca 0.34 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 3dl4 s ALA 370 Cb 0.20 -3.45 0.15 0.00 0.00 0.00 0.00 23.12 20.02 3dl4 s ALA 370 CO 0.30 -0.55 1.09 -1.54 0.00 0.00 0.00 175.76 175.06 3dl4 s SER 371 N 1.22 3.11 0.24 0.00 1.04 -1.26 -4.68 113.70 113.38 3dl4 s SER 371 Ca 0.55 1.47 -0.06 0.00 0.48 0.00 0.00 55.95 58.39 3dl4 s SER 371 Cb -0.25 -2.14 0.46 0.00 0.10 0.00 0.00 66.02 64.19 3dl4 s SER 371 CO 0.25 -2.86 1.67 0.44 0.98 0.00 0.00 173.24 173.71 3dl4 h ASP 372 N -1.70 -0.11 -0.28 7.02 5.19 -1.99 0.13 116.42 124.68 3dl4 h ASP 372 Ca -0.51 0.16 -0.03 0.00 -0.62 0.00 0.00 57.03 56.04 3dl4 h ASP 372 Cb 1.29 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 41.04 3dl4 h ASP 372 CO 0.54 -0.09 0.07 0.25 -3.12 0.00 0.00 179.24 176.89 3dl4 h LEU 373 N 0.20 0.41 -0.62 1.55 5.85 -1.97 -1.38 115.31 119.36 3dl4 h LEU 373 Ca 0.41 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3dl4 h LEU 373 Cb 0.72 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3dl4 h LEU 373 CO -0.56 0.53 0.32 0.00 -0.34 0.00 0.00 178.44 178.38 3dl4 h ALA 374 N 0.90 0.80 -0.53 1.25 0.00 -1.71 -0.09 119.26 119.89 3dl4 h ALA 374 Ca 0.09 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3dl4 h ALA 374 Cb 0.27 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3dl4 h ALA 374 CO -0.00 0.34 0.11 0.00 0.00 0.00 0.00 179.25 179.70 3dl4 h ALA 375 N 1.14 0.60 -0.08 0.00 0.00 -0.65 -1.50 119.26 118.78 3dl4 h ALA 375 Ca 0.22 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3dl4 h ALA 375 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dl4 h ALA 375 CO -0.03 -0.30 -0.63 1.49 0.00 0.00 0.00 179.25 179.77 3dl4 h GLU 376 N 0.24 0.28 -0.70 0.00 4.57 -0.75 -1.47 114.58 116.75 3dl4 h GLU 376 Ca 0.27 -0.20 0.06 0.00 -1.18 0.00 0.00 59.36 58.30 3dl4 h GLU 376 Cb 0.37 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.94 3dl4 h GLU 376 CO -0.35 0.82 0.41 0.00 -1.18 0.00 0.00 179.01 178.71 3dl4 h ALA 377 N 1.13 0.95 0.04 2.92 0.00 -0.14 -0.01 119.26 124.15 3dl4 h ALA 377 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dl4 h ALA 377 Cb 1.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3dl4 h ALA 377 CO 0.10 0.10 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 3dl4 h VAL 378 N 0.75 1.14 -0.57 0.00 2.07 -0.82 0.93 116.25 119.75 3dl4 h VAL 378 Ca 0.31 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.32 3dl4 h VAL 378 Cb 0.17 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 31.41 3dl4 h VAL 378 CO -0.17 0.15 0.15 0.58 0.02 0.00 0.00 177.57 178.30 3dl4 h VAL 379 N -0.33 0.70 -0.07 2.57 2.07 -1.07 -0.16 116.25 119.97 3dl4 h VAL 379 Ca -0.01 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 3dl4 h VAL 379 Cb 0.30 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3dl4 h VAL 379 CO 0.01 0.05 -0.45 -0.07 0.02 0.00 0.00 177.57 177.13 3dl4 h LEU 380 N 0.30 0.17 -0.32 2.57 3.38 -0.73 0.87 115.31 121.55 3dl4 h LEU 380 Ca 0.29 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 3dl4 h LEU 380 Cb 0.41 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dl4 h LEU 380 CO -0.35 0.60 -0.41 -0.74 0.09 0.00 0.00 178.44 177.63 3dl4 h HIS 381 N 0.13 1.03 0.00 1.13 2.76 -0.07 -3.35 115.15 116.79 3dl4 h HIS 381 Ca 0.01 -0.33 0.00 0.00 -2.20 0.00 0.00 60.37 57.85 3dl4 h HIS 381 Cb 0.85 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.61 3dl4 h HIS 381 CO 0.01 1.14 -1.15 0.66 -1.30 0.00 0.00 177.93 177.29 3dl4 n TYR 382 N -4.11 0.30 -1.94 5.26 4.02 -0.14 -4.86 117.16 115.70 3dl4 n TYR 382 Ca -0.03 0.09 -0.42 0.00 -0.01 0.00 0.00 57.90 57.53 3dl4 n TYR 382 Cb 0.55 -0.49 -0.02 0.00 -0.02 0.00 0.00 39.34 39.36 3dl4 n TYR 382 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3dl4 s THR 383 N -3.25 2.51 -0.52 -0.72 2.01 0.27 -4.88 115.64 111.06 3dl4 s THR 383 Ca 0.02 0.41 -0.26 0.00 0.31 0.00 0.00 61.69 62.16 3dl4 s THR 383 Cb 0.14 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.42 3dl4 s THR 383 CO 0.82 0.06 1.02 -0.62 -0.69 0.00 0.00 174.62 175.21 3dl4 s ASP 384 N 0.60 6.46 0.25 3.53 -1.08 -1.26 -4.93 116.67 120.24 3dl4 s ASP 384 Ca 0.63 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.93 3dl4 s ASP 384 Cb -0.44 -2.48 0.97 0.00 -1.46 0.00 0.00 42.92 39.51 3dl4 s ASP 384 CO 0.41 -1.23 1.71 0.79 0.52 0.00 0.00 175.17 177.37 3dl4 n TRP 385 N 7.64 0.80 0.19 -5.34 7.02 -1.26 -0.96 117.44 125.53 3dl4 n TRP 385 Ca 0.06 0.31 0.07 0.00 -1.02 0.00 0.00 57.50 56.92 3dl4 n TRP 385 Cb 0.48 -1.00 0.33 0.00 -2.42 0.00 0.00 31.31 28.70 3dl4 n TRP 385 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dl4 h LEU 386 N 0.00 0.00 -5.87 -0.99 3.38 -2.04 -3.36 115.31 106.43 3dl4 h LEU 386 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3dl4 h LEU 386 Cb 0.37 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.76 3dl4 h LEU 386 CO 0.00 0.34 -1.08 1.41 0.09 0.00 0.00 178.44 179.21 3dl4 n HIS 387 N -3.44 -0.42 0.30 1.13 8.25 -0.13 -4.99 115.22 115.92 3dl4 n HIS 387 Ca 0.00 -3.50 0.19 0.00 -0.26 0.00 0.00 57.72 54.15 3dl4 n HIS 387 Cb 0.52 -0.14 0.98 0.00 1.12 0.00 0.00 29.99 32.47 3dl4 n HIS 387 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3dl4 h PRO 388 N 3.40 0.00 0.00 -0.41 0.13 -1.44 -3.04 132.00 130.64 3dl4 h PRO 388 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3dl4 h PRO 388 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 3dl4 h PRO 388 CO 0.45 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 3dl4 n GLU 389 N -3.26 -0.02 -1.68 0.86 1.02 -1.26 -4.85 120.64 111.45 3dl4 n GLU 389 Ca -0.01 -0.33 -0.46 0.00 -0.02 0.00 0.00 57.16 56.34 3dl4 n GLU 389 Cb 0.23 -0.81 -0.04 0.00 -0.02 0.00 0.00 31.44 30.80 3dl4 n GLU 389 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dl4 n ASP 390 N -0.09 3.48 0.11 1.62 2.03 -1.15 -4.74 116.55 117.81 3dl4 n ASP 390 Ca 0.00 1.01 0.01 0.00 0.52 0.00 0.00 54.79 56.33 3dl4 n ASP 390 Cb 0.05 -1.44 0.33 0.00 -0.72 0.00 0.00 41.12 39.35 3dl4 n ASP 390 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dl4 h PRO 391 N 7.90 0.24 0.11 -0.67 0.11 -1.93 -1.94 132.00 135.83 3dl4 h PRO 391 Ca -0.47 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3dl4 h PRO 391 Cb 1.25 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dl4 h PRO 391 CO 0.93 0.47 -0.05 1.15 -0.21 0.00 0.00 178.00 180.28 3dl4 h THR 392 N 0.22 0.97 -0.33 -1.15 2.02 -1.90 -0.65 112.91 112.10 3dl4 h THR 392 Ca 0.04 -0.32 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3dl4 h THR 392 Cb 0.53 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3dl4 h THR 392 CO 0.04 0.08 0.12 0.45 0.37 0.00 0.00 175.52 176.58 3dl4 h HIS 393 N -0.30 0.22 -0.76 3.16 3.86 -1.91 0.13 115.15 119.54 3dl4 h HIS 393 Ca -0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3dl4 h HIS 393 Cb 0.25 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 3dl4 h HIS 393 CO -0.02 0.10 0.50 -0.07 0.86 0.00 0.00 177.93 179.30 3dl4 h LEU 394 N 0.27 0.87 -0.22 2.43 3.38 -1.24 0.68 115.31 121.48 3dl4 h LEU 394 Ca 0.15 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3dl4 h LEU 394 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3dl4 h LEU 394 CO -0.14 0.63 -0.17 -0.09 0.09 0.00 0.00 178.44 178.76 3dl4 h ARG 395 N 1.03 0.49 -0.23 1.13 1.12 -0.59 -2.36 114.38 114.97 3dl4 h ARG 395 Ca 0.28 -0.24 -0.09 0.00 -1.11 0.00 0.00 59.98 58.82 3dl4 h ARG 395 Cb -0.11 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.84 3dl4 h ARG 395 CO -0.06 0.81 -0.24 -0.44 -3.11 0.00 0.00 179.97 176.93 3dl4 h ASP 396 N 0.18 0.42 -0.21 -3.80 3.32 -0.45 -2.85 116.42 113.04 3dl4 h ASP 396 Ca 0.04 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 3dl4 h ASP 396 Cb 0.69 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3dl4 h ASP 396 CO 0.04 0.66 -0.36 0.00 -1.72 0.00 0.00 179.24 177.86 3dl4 h ALA 397 N 1.38 0.76 -0.02 3.45 0.00 -0.86 -1.47 119.26 122.49 3dl4 h ALA 397 Ca 0.06 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.57 3dl4 h ALA 397 Cb 0.62 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3dl4 h ALA 397 CO 0.04 0.65 -0.18 1.98 0.00 0.00 0.00 179.25 181.75 3dl4 h MET 398 N 0.61 -0.27 -0.16 0.00 -1.53 -1.29 0.31 114.93 112.61 3dl4 h MET 398 Ca 0.06 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.39 3dl4 h MET 398 Cb 0.90 0.06 -0.06 0.00 -0.55 0.00 0.00 31.60 31.95 3dl4 h MET 398 CO 0.08 -0.18 -0.22 1.03 0.14 0.00 0.00 176.91 177.76 3dl4 h SER 399 N -0.28 -0.70 -0.82 1.39 0.87 -1.36 -2.44 113.55 110.22 3dl4 h SER 399 Ca 0.06 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3dl4 h SER 399 Cb 0.36 0.32 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 3dl4 h SER 399 CO -0.18 -0.27 0.54 0.00 -0.53 0.00 0.00 176.83 176.38 3dl4 h ALA 400 N 0.72 1.49 0.16 6.23 0.00 -0.77 -0.77 119.26 126.32 3dl4 h ALA 400 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3dl4 h ALA 400 Cb 0.43 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3dl4 h ALA 400 CO -0.31 0.44 -0.25 0.28 0.00 0.00 0.00 179.25 179.41 3dl4 h VAL 401 N 1.03 0.46 -0.21 0.00 2.07 0.08 0.26 116.25 119.94 3dl4 h VAL 401 Ca 0.32 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.84 3dl4 h VAL 401 Cb 0.01 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3dl4 h VAL 401 CO -0.09 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.20 3dl4 h VAL 402 N -0.48 1.11 -0.36 2.57 2.07 -1.15 -0.35 116.25 119.66 3dl4 h VAL 402 Ca 0.02 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 3dl4 h VAL 402 Cb 0.48 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3dl4 h VAL 402 CO -0.11 0.10 0.04 1.23 0.02 0.00 0.00 177.57 178.86 3dl4 h GLY 403 N 0.23 0.66 0.89 2.17 0.00 -1.04 -1.57 103.07 104.41 3dl4 h GLY 403 Ca 0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3dl4 h GLY 403 CO -0.01 0.42 -0.16 -0.55 0.00 0.00 0.00 176.54 176.24 3dl4 h ASP 404 N 0.44 -0.38 -0.60 0.19 3.32 -0.34 0.46 116.42 119.52 3dl4 h ASP 404 Ca 0.11 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3dl4 h ASP 404 Cb 0.39 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3dl4 h ASP 404 CO 0.01 -0.17 0.20 -0.74 -1.72 0.00 0.00 179.24 176.82 3dl4 h HIS 405 N -0.56 0.96 0.09 4.55 -0.00 -1.07 -1.44 115.15 117.67 3dl4 h HIS 405 Ca -0.05 -0.09 -0.33 0.00 -0.00 0.00 0.00 60.37 59.90 3dl4 h HIS 405 Cb 0.42 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3dl4 h HIS 405 CO -0.02 0.78 -1.83 -0.91 -0.00 0.00 0.00 177.93 175.95 3dl4 h ASN 406 N 0.85 0.30 0.00 3.26 2.35 -1.25 -3.41 115.58 117.68 3dl4 h ASN 406 Ca 0.20 -0.61 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3dl4 h ASN 406 Cb 0.27 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3dl4 h ASN 406 CO -0.01 1.54 -0.23 0.52 -1.65 0.00 0.00 177.43 177.60 3dl4 n VAL 407 N -3.35 0.96 0.11 2.81 0.31 0.15 -4.65 118.33 114.67 3dl4 n VAL 407 Ca -0.25 0.32 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3dl4 n VAL 407 Cb 1.05 -1.57 -0.08 0.00 -0.91 0.00 0.00 33.84 32.32 3dl4 n VAL 407 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3dl4 h VAL 408 N -0.01 0.90 -0.47 2.52 2.07 -1.12 0.39 116.25 120.52 3dl4 h VAL 408 Ca -0.00 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 3dl4 h VAL 408 Cb 0.23 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3dl4 h VAL 408 CO -0.00 0.08 0.06 0.00 0.02 0.00 0.00 177.57 177.74 3dl4 h PRO 410 N 0.66 0.97 -0.24 0.00 0.11 -1.70 0.34 132.00 132.14 3dl4 h PRO 410 Ca 0.14 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.16 3dl4 h PRO 410 Cb 0.41 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 3dl4 h PRO 410 CO 0.01 0.64 0.01 0.28 -0.21 0.00 0.00 178.00 178.74 3dl4 h VAL 411 N 1.00 1.25 -0.69 3.15 2.07 -0.25 -0.66 116.25 122.12 3dl4 h VAL 411 Ca 0.43 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3dl4 h VAL 411 Cb 0.32 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3dl4 h VAL 411 CO -0.18 0.27 0.35 0.00 0.02 0.00 0.00 177.57 178.03 3dl4 h ALA 412 N 0.82 0.93 0.25 1.67 0.00 -0.33 0.59 119.26 123.19 3dl4 h ALA 412 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dl4 h ALA 412 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dl4 h ALA 412 CO 0.01 -0.02 -0.12 0.37 0.00 0.00 0.00 179.25 179.49 3dl4 h GLN 413 N 0.62 -0.32 -0.30 0.00 4.15 -0.72 -1.41 115.11 117.13 3dl4 h GLN 413 Ca 0.33 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.81 3dl4 h GLN 413 Cb 0.30 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.02 3dl4 h GLN 413 CO -0.24 -0.20 0.05 1.25 -1.93 0.00 0.00 178.83 177.77 3dl4 h LEU 414 N -0.36 -0.00 -0.30 -2.39 5.85 -0.62 -1.09 115.31 116.40 3dl4 h LEU 414 Ca -0.03 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dl4 h LEU 414 Cb 0.27 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3dl4 h LEU 414 CO 0.06 0.04 0.04 0.00 -0.34 0.00 0.00 178.44 178.23 3dl4 h ALA 415 N 1.23 0.30 0.07 1.25 0.00 -0.82 0.24 119.26 121.52 3dl4 h ALA 415 Ca 0.14 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3dl4 h ALA 415 Cb 0.16 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3dl4 h ALA 415 CO -0.19 -0.37 -0.19 0.78 0.00 0.00 0.00 179.25 179.28 3dl4 h GLY 416 N 0.14 -0.31 0.97 0.00 0.00 -1.03 -1.30 103.07 101.54 3dl4 h GLY 416 Ca 0.14 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3dl4 h GLY 416 CO -0.20 -0.18 -0.08 3.21 0.00 0.00 0.00 176.54 179.29 3dl4 h ARG 417 N -0.34 -0.21 -0.71 4.80 2.47 -0.82 -1.28 114.38 118.29 3dl4 h ARG 417 Ca 0.03 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.86 3dl4 h ARG 417 Cb 0.38 0.05 -0.07 0.00 -1.65 0.00 0.00 29.97 28.68 3dl4 h ARG 417 CO -0.13 -0.11 0.36 -0.07 0.56 0.00 0.00 179.97 180.58 3dl4 h LEU 418 N -0.26 0.47 -0.20 3.04 3.38 -0.95 0.02 115.31 120.82 3dl4 h LEU 418 Ca -0.02 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3dl4 h LEU 418 Cb 0.20 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3dl4 h LEU 418 CO 0.04 0.27 -0.01 0.00 0.09 0.00 0.00 178.44 178.82 3dl4 h ALA 419 N 1.43 0.27 -1.01 1.53 0.00 -1.04 0.83 119.26 121.27 3dl4 h ALA 419 Ca 0.35 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3dl4 h ALA 419 Cb 0.37 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 3dl4 h ALA 419 CO -0.27 -0.01 0.64 0.00 0.00 0.00 0.00 179.25 179.61 3dl4 h ALA 420 N 0.78 1.46 -0.58 0.00 0.00 -0.93 -2.49 119.26 117.50 3dl4 h ALA 420 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.73 3dl4 h ALA 420 Cb 0.41 -0.26 -0.14 0.00 0.00 0.00 0.00 17.79 17.81 3dl4 h ALA 420 CO 0.01 0.33 0.30 1.04 0.00 0.00 0.00 179.25 180.93 3dl4 n GLN 421 N -4.56 2.43 -0.09 0.00 6.02 -0.03 -4.89 117.38 116.26 3dl4 n GLN 421 Ca 0.17 -2.05 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 3dl4 n GLN 421 Cb 0.27 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 29.67 3dl4 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dl4 n GLY 422 N -0.27 0.53 3.79 1.08 0.00 -0.94 -1.51 105.19 107.87 3dl4 n GLY 422 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 3dl4 n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dl4 s ALA 423 N -2.24 2.60 -0.31 4.61 0.00 0.26 -4.19 121.76 122.49 3dl4 s ALA 423 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 51.96 52.25 3dl4 s ALA 423 Cb 0.00 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 3dl4 s ALA 423 CO 0.00 -1.08 0.37 0.50 0.00 0.00 0.00 175.76 175.55 3dl4 s ARG 424 N -4.17 3.77 -0.07 0.00 3.52 -0.04 -4.40 118.95 117.55 3dl4 s ARG 424 Ca 0.65 -0.21 0.05 0.00 -0.13 0.00 0.00 55.73 56.08 3dl4 s ARG 424 Cb -0.18 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3dl4 s ARG 424 CO 0.41 -0.42 -0.21 0.08 -0.81 0.00 0.00 175.30 174.35 3dl4 s VAL 425 N 2.05 2.43 -0.03 7.11 1.01 -1.26 -0.85 120.40 130.87 3dl4 s VAL 425 Ca 0.13 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3dl4 s VAL 425 Cb -0.16 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 3dl4 s VAL 425 CO 0.11 0.57 -0.21 -0.31 0.00 0.00 0.00 175.10 175.26 3dl4 s TYR 426 N -0.22 2.48 0.11 5.22 1.51 -0.28 0.13 117.35 126.31 3dl4 s TYR 426 Ca -0.01 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 3dl4 s TYR 426 Cb -0.13 -1.54 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 3dl4 s TYR 426 CO 0.03 0.06 -0.14 0.00 -1.11 0.00 0.00 175.55 174.39 3dl4 s ALA 427 N -0.68 1.44 0.04 3.71 0.00 -1.26 -1.17 121.76 123.85 3dl4 s ALA 427 Ca 0.11 -1.23 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3dl4 s ALA 427 Cb -0.10 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.94 3dl4 s ALA 427 CO -0.00 0.12 0.26 1.52 0.00 0.00 0.00 175.76 177.66 3dl4 s TYR 428 N -1.93 -0.04 -0.04 0.00 -0.85 -0.66 -2.09 117.35 111.74 3dl4 s TYR 428 Ca 0.07 -0.13 0.06 0.00 -0.52 0.00 0.00 57.07 56.54 3dl4 s TYR 428 Cb -0.06 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.31 3dl4 s TYR 428 CO 0.03 -0.47 -0.23 -1.50 -1.52 0.00 0.00 175.55 171.85 3dl4 s ILE 429 N -2.53 1.90 -0.20 -3.49 2.07 -0.45 -2.13 121.20 116.38 3dl4 s ILE 429 Ca -0.05 -1.00 -0.06 0.00 -1.41 0.00 0.00 60.65 58.13 3dl4 s ILE 429 Cb -0.01 -1.61 -0.03 0.00 0.13 0.00 0.00 42.46 40.94 3dl4 s ILE 429 CO -0.03 0.53 0.03 0.12 -1.91 0.00 0.00 174.94 173.68 3dl4 s PHE 430 N -0.25 3.11 0.00 3.50 2.19 0.06 -0.15 117.98 126.44 3dl4 s PHE 430 Ca 0.00 -0.25 0.00 0.00 0.33 0.00 0.00 56.93 57.01 3dl4 s PHE 430 Cb -0.12 -2.09 0.00 0.00 -1.31 0.00 0.00 43.02 39.50 3dl4 s PHE 430 CO 0.02 -0.11 0.28 0.39 1.83 0.00 0.00 175.22 177.64 3dl4 n GLU 431 N 4.04 -0.45 -2.95 10.12 1.02 0.09 -0.94 120.64 131.57 3dl4 n GLU 431 Ca -0.17 -0.28 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 3dl4 n GLU 431 Cb 0.52 -0.78 -0.05 0.00 -0.02 0.00 0.00 31.44 31.11 3dl4 n GLU 431 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3dl4 s HIS 432 N -0.02 3.20 -0.25 -0.32 2.46 -1.25 -4.95 115.29 114.16 3dl4 s HIS 432 Ca 0.00 0.81 -0.29 0.00 0.47 0.00 0.00 55.06 56.05 3dl4 s HIS 432 Cb 0.00 -3.21 0.01 0.00 -0.13 0.00 0.00 32.58 29.25 3dl4 s HIS 432 CO 0.00 -0.56 1.05 0.50 -2.47 0.00 0.00 174.74 173.25 3dl4 s ARG 433 N 2.95 4.21 0.33 2.88 3.52 -1.26 -4.94 118.95 126.63 3dl4 s ARG 433 Ca 0.32 1.29 -0.29 0.00 -0.13 0.00 0.00 55.73 56.92 3dl4 s ARG 433 Cb -0.14 -3.66 -0.12 0.00 -1.56 0.00 0.00 34.95 29.47 3dl4 s ARG 433 CO 0.12 -0.69 1.43 0.00 -0.81 0.00 0.00 175.30 175.35 3dl4 n ALA 434 N 6.45 1.83 -0.36 6.12 0.00 -1.26 -4.89 120.51 128.39 3dl4 n ALA 434 Ca 0.12 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.91 3dl4 n ALA 434 Cb 0.46 -2.35 0.13 0.00 0.00 0.00 0.00 19.45 17.70 3dl4 n ALA 434 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dl4 h SER 435 N 3.38 1.11 0.05 0.00 4.64 -1.95 -2.24 113.55 118.53 3dl4 h SER 435 Ca -0.47 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3dl4 h SER 435 Cb 1.26 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3dl4 h SER 435 CO 0.68 0.80 0.00 0.35 -0.87 0.00 0.00 176.83 177.79 3dl4 n THR 436 N -4.39 0.09 -1.86 2.95 -2.24 -1.26 -4.91 114.28 102.66 3dl4 n THR 436 Ca 0.12 0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.51 3dl4 n THR 436 Cb 0.03 -0.78 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 3dl4 n THR 436 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3dl4 s LEU 437 N -2.09 4.36 0.00 3.22 2.96 -0.85 -4.91 118.68 121.38 3dl4 s LEU 437 Ca 0.22 2.84 0.20 0.00 -0.22 0.00 0.00 54.13 57.17 3dl4 s LEU 437 Cb 0.11 -3.63 0.02 0.00 0.50 0.00 0.00 46.19 43.19 3dl4 s LEU 437 CO 0.19 -0.84 1.03 0.35 -1.32 0.00 0.00 176.35 175.76 3dl4 n THR 438 N 2.39 0.00 -2.55 3.68 -2.24 -1.26 -4.92 114.28 109.38 3dl4 n THR 438 Ca 0.08 -0.33 -0.32 0.00 -2.27 0.00 0.00 64.05 61.21 3dl4 n THR 438 Cb 0.38 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.84 3dl4 n THR 438 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3dl4 s TRP 439 N -2.17 3.40 1.02 4.78 0.52 -1.26 -4.88 118.94 120.35 3dl4 s TRP 439 Ca 0.18 1.51 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3dl4 s TRP 439 Cb 0.16 -2.81 0.20 0.00 -1.15 0.00 0.00 33.47 29.88 3dl4 s TRP 439 CO 0.46 -0.28 1.10 -1.25 0.02 0.00 0.00 176.95 177.01 3dl4 s PRO 440 N -3.76 0.21 0.36 4.98 0.04 -1.26 -4.92 135.00 130.64 3dl4 s PRO 440 Ca 0.60 1.31 0.08 0.00 0.04 0.00 0.00 61.00 63.03 3dl4 s PRO 440 Cb -0.10 -1.65 0.70 0.00 0.04 0.00 0.00 34.50 33.50 3dl4 s PRO 440 CO 0.25 -3.11 1.88 -0.07 0.04 0.00 0.00 177.00 175.99 3dl4 h LEU 441 N -2.20 0.29 -2.20 -3.56 4.07 -1.95 -2.94 115.31 106.82 3dl4 h LEU 441 Ca -0.50 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3dl4 h LEU 441 Cb 1.29 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.96 3dl4 h LEU 441 CO 0.44 0.46 0.00 4.11 -1.08 0.00 0.00 178.44 182.37 3dl4 h TRP 442 N 0.29 0.00 0.00 1.13 5.08 -1.93 0.40 115.95 120.91 3dl4 h TRP 442 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 3dl4 h TRP 442 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 3dl4 h TRP 442 CO 0.01 0.00 -0.24 -1.33 -1.28 0.00 0.00 178.44 175.60 3dl4 n MET 443 N -2.76 0.00 0.00 0.12 2.81 -1.11 -4.99 117.12 111.19 3dl4 n MET 443 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3dl4 n MET 443 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 3dl4 n MET 443 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl4 n GLY 444 N 1.50 3.88 3.15 3.03 0.00 0.13 -3.75 105.19 113.13 3dl4 n GLY 444 Ca 0.06 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3dl4 n GLY 444 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dl4 s VAL 445 N 0.00 3.58 0.77 1.61 1.01 -1.26 -4.85 120.40 121.26 3dl4 s VAL 445 Ca 0.00 -1.97 -0.12 0.00 0.00 0.00 0.00 61.98 59.89 3dl4 s VAL 445 Cb 0.00 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 33.01 3dl4 s VAL 445 CO 0.00 -0.72 1.14 -2.84 0.00 0.00 0.00 175.10 172.69 3dl4 s PRO 446 N 1.21 2.29 0.38 2.72 0.02 -1.25 -1.58 135.00 138.79 3dl4 s PRO 446 Ca 0.07 0.27 -0.26 0.00 0.02 0.00 0.00 61.00 61.10 3dl4 s PRO 446 Cb -0.24 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3dl4 s PRO 446 CO -0.03 -1.40 1.18 -3.38 -0.33 0.00 0.00 177.00 173.04 3dl4 s HIS 447 N -3.47 3.12 0.00 6.54 -3.43 -1.26 -3.05 115.29 113.74 3dl4 s HIS 447 Ca 0.61 1.55 0.00 0.00 -0.80 0.00 0.00 55.06 56.41 3dl4 s HIS 447 Cb -0.11 -3.42 0.00 0.00 -1.43 0.00 0.00 32.58 27.61 3dl4 s HIS 447 CO 0.50 -1.31 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 3dl4 n GLY 448 N 0.72 1.76 0.84 -1.38 0.00 -1.26 -4.93 105.19 100.94 3dl4 n GLY 448 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 3dl4 n GLY 448 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dl4 n TYR 449 N -1.96 0.66 -0.07 1.61 4.02 -1.17 -2.50 117.16 117.75 3dl4 n TYR 449 Ca 0.00 -0.26 -0.03 0.00 -0.01 0.00 0.00 57.90 57.60 3dl4 n TYR 449 Cb 0.00 -0.14 -0.15 0.00 -0.02 0.00 0.00 39.34 39.03 3dl4 n TYR 449 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3dl4 n GLU 450 N 0.34 0.88 -0.17 -0.72 0.00 -1.26 -4.60 120.64 115.11 3dl4 n GLU 450 Ca 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 57.16 57.19 3dl4 n GLU 450 Cb 0.46 -1.47 0.07 0.00 0.00 0.00 0.00 31.44 30.51 3dl4 n GLU 450 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3dl4 h ILE 451 N 0.00 0.62 -0.59 3.84 2.04 -1.87 -0.17 117.51 121.38 3dl4 h ILE 451 Ca -0.34 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3dl4 h ILE 451 Cb 1.75 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3dl4 h ILE 451 CO 0.02 0.03 0.40 1.05 0.00 0.00 0.00 178.15 179.64 3dl4 h GLU 452 N 0.15 0.41 -0.13 2.37 4.11 -1.79 0.56 114.58 120.26 3dl4 h GLU 452 Ca 0.27 -0.02 -0.09 0.00 0.07 0.00 0.00 59.36 59.59 3dl4 h GLU 452 Cb 0.40 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3dl4 h GLU 452 CO -0.41 0.27 -0.25 0.74 0.07 0.00 0.00 179.01 179.43 3dl4 h PHE 453 N 0.42 0.51 -0.53 2.06 0.04 -1.33 -1.52 116.94 116.59 3dl4 h PHE 453 Ca 0.27 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.83 3dl4 h PHE 453 Cb 0.51 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 3dl4 h PHE 453 CO -0.00 0.87 0.19 0.82 -0.60 0.00 0.00 178.31 179.59 3dl4 h ILE 454 N 0.00 1.20 0.00 -0.55 1.08 -0.76 -2.00 117.51 116.49 3dl4 h ILE 454 Ca 0.01 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3dl4 h ILE 454 Cb 0.84 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3dl4 h ILE 454 CO 0.06 0.25 0.00 0.49 -0.69 0.00 0.00 178.15 178.26 3dl4 n PHE 455 N -4.33 0.37 -0.48 1.37 3.01 0.11 -4.46 117.46 113.04 3dl4 n PHE 455 Ca 0.04 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.61 3dl4 n PHE 455 Cb 0.17 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 38.97 3dl4 n PHE 455 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl4 n GLY 456 N 1.32 0.72 0.28 1.37 0.00 -0.75 -4.14 105.19 103.99 3dl4 n GLY 456 Ca 0.06 -0.36 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3dl4 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dl4 h LEU 457 N 0.00 0.09 0.00 0.99 4.07 -1.52 -1.59 115.31 117.35 3dl4 h LEU 457 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3dl4 h LEU 457 Cb 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.72 3dl4 h LEU 457 CO 0.00 0.06 0.00 -2.65 -1.08 0.00 0.00 178.44 174.77 3dl4 n PRO 458 N -4.51 0.15 0.00 1.13 -0.02 -1.26 -1.96 135.00 128.53 3dl4 n PRO 458 Ca -0.00 0.18 0.15 0.00 -2.02 0.00 0.00 63.50 61.81 3dl4 n PRO 458 Cb 0.14 -1.50 0.81 0.00 -0.02 0.00 0.00 33.50 32.94 3dl4 n PRO 458 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dl4 n LEU 459 N -1.29 0.26 -4.48 2.45 4.32 -0.60 -4.59 117.00 113.07 3dl4 n LEU 459 Ca 0.05 -0.02 -0.43 0.00 -0.02 0.00 0.00 56.01 55.59 3dl4 n LEU 459 Cb 0.09 -0.07 -0.05 0.00 -1.62 0.00 0.00 43.42 41.77 3dl4 n LEU 459 CO 0.08 0.05 0.63 -0.62 -1.22 0.00 0.00 177.39 176.31 3dl4 s ASP 460 N -2.17 6.27 0.46 -1.43 -1.08 -0.83 -4.75 116.67 113.15 3dl4 s ASP 460 Ca 0.41 -0.65 0.19 0.00 -0.52 0.00 0.00 52.55 51.98 3dl4 s ASP 460 Cb 0.21 -2.39 1.16 0.00 -1.46 0.00 0.00 42.92 40.45 3dl4 s ASP 460 CO 0.40 -1.18 1.94 -0.65 0.52 0.00 0.00 175.17 176.20 3dl4 h PRO 461 N 9.27 0.28 0.00 4.34 0.11 -1.89 0.13 132.00 144.25 3dl4 h PRO 461 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dl4 h PRO 461 Cb 1.08 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3dl4 h PRO 461 CO 1.07 0.18 0.00 0.66 -0.21 0.00 0.00 178.00 179.71 3dl4 h SER 462 N 0.29 0.00 0.33 -2.05 4.64 -1.95 -3.25 113.55 111.56 3dl4 h SER 462 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3dl4 h SER 462 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3dl4 h SER 462 CO -0.08 0.00 -0.17 0.18 -0.87 0.00 0.00 176.83 175.88 3dl4 n LEU 463 N -2.80 0.68 -1.97 5.97 4.77 0.47 -4.95 117.00 119.17 3dl4 n LEU 463 Ca 0.01 -0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 3dl4 n LEU 463 Cb 0.25 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3dl4 n LEU 463 CO 0.24 0.13 0.09 0.59 -1.33 0.00 0.00 177.39 177.10 3dl4 n ASN 464 N -0.85 -4.17 -4.84 -1.43 3.02 -1.23 -5.03 115.26 100.73 3dl4 n ASN 464 Ca 0.13 -0.24 -0.35 0.00 -0.03 0.00 0.00 54.58 54.09 3dl4 n ASN 464 Cb 0.31 -2.84 -0.06 0.00 -0.61 0.00 0.00 39.78 36.58 3dl4 n ASN 464 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3dl4 s TYR 465 N -3.07 3.59 0.88 3.10 2.02 -1.26 -4.77 117.35 117.84 3dl4 s TYR 465 Ca 0.26 1.14 -0.13 0.00 -0.37 0.00 0.00 57.07 57.97 3dl4 s TYR 465 Cb -0.11 -2.44 0.03 0.00 -0.40 0.00 0.00 41.96 39.04 3dl4 s TYR 465 CO 0.32 0.37 0.58 0.25 -1.57 0.00 0.00 175.55 175.49 3dl4 n THR 466 N 0.62 0.60 0.17 -0.71 -2.24 -1.26 -4.82 114.28 106.64 3dl4 n THR 466 Ca -0.03 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.56 3dl4 n THR 466 Cb 0.52 -0.74 0.29 0.00 -2.10 0.00 0.00 70.33 68.30 3dl4 n THR 466 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dl4 h THR 467 N -1.27 1.10 -0.39 4.28 1.03 -1.97 -2.57 112.91 113.12 3dl4 h THR 467 Ca -0.44 -1.68 -0.09 0.00 -0.01 0.00 0.00 66.41 64.19 3dl4 h THR 467 Cb 1.30 1.96 -0.01 0.00 -1.07 0.00 0.00 68.15 70.33 3dl4 h THR 467 CO 0.38 0.44 -0.11 -0.33 -0.01 0.00 0.00 175.52 175.89 3dl4 h GLU 468 N 0.00 0.75 -0.83 0.00 3.07 -2.00 -2.93 114.58 112.64 3dl4 h GLU 468 Ca -0.00 -0.30 0.10 0.00 -0.50 0.00 0.00 59.36 58.66 3dl4 h GLU 468 Cb 0.93 -0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.74 3dl4 h GLU 468 CO 0.06 0.90 0.54 0.93 -1.40 0.00 0.00 179.01 180.04 3dl4 h GLU 469 N 0.56 0.76 -0.61 2.33 5.08 -1.82 0.16 114.58 121.04 3dl4 h GLU 469 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3dl4 h GLU 469 Cb 0.63 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3dl4 h GLU 469 CO 0.04 0.51 0.27 -0.09 -1.00 0.00 0.00 179.01 178.74 3dl4 h ARG 470 N 0.79 0.89 -0.34 2.33 2.43 -1.31 -0.01 114.38 119.16 3dl4 h ARG 470 Ca 0.38 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 3dl4 h ARG 470 Cb 0.43 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 3dl4 h ARG 470 CO -0.15 0.74 -0.31 0.82 -1.51 0.00 0.00 179.97 179.55 3dl4 h ILE 471 N 0.84 1.29 -0.35 1.20 2.04 -0.96 -1.98 117.51 119.59 3dl4 h ILE 471 Ca 0.21 -1.48 0.08 0.00 1.00 0.00 0.00 64.86 64.67 3dl4 h ILE 471 Cb 0.15 1.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.62 3dl4 h ILE 471 CO -0.02 0.48 -0.15 0.15 0.00 0.00 0.00 178.15 178.61 3dl4 h PHE 472 N 0.60 -0.37 -0.64 1.37 3.57 -0.62 -1.52 116.94 119.32 3dl4 h PHE 472 Ca 0.06 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3dl4 h PHE 472 Cb 0.89 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 3dl4 h PHE 472 CO 0.07 -0.23 0.41 0.00 -2.23 0.00 0.00 178.31 176.33 3dl4 h ALA 473 N 1.19 0.82 -0.48 2.41 0.00 -0.80 -0.95 119.26 121.45 3dl4 h ALA 473 Ca 0.18 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.12 3dl4 h ALA 473 Cb 0.36 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3dl4 h ALA 473 CO -0.41 0.20 0.14 1.96 0.00 0.00 0.00 179.25 181.14 3dl4 h GLN 474 N 0.83 0.29 -0.07 0.00 4.20 -0.81 -0.82 115.11 118.73 3dl4 h GLN 474 Ca 0.25 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.98 3dl4 h GLN 474 Cb -0.04 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 3dl4 h GLN 474 CO -0.08 0.19 -0.25 0.00 -0.67 0.00 0.00 178.83 178.03 3dl4 h ARG 475 N 0.30 -0.33 -0.78 1.46 3.08 -0.38 -1.52 114.38 116.22 3dl4 h ARG 475 Ca 0.23 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.32 3dl4 h ARG 475 Cb 0.27 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 3dl4 h ARG 475 CO -0.26 -0.22 0.51 -0.07 -1.07 0.00 0.00 179.97 178.86 3dl4 h LEU 476 N -0.34 0.88 -1.58 3.04 3.38 -0.72 0.73 115.31 120.69 3dl4 h LEU 476 Ca 0.08 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3dl4 h LEU 476 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3dl4 h LEU 476 CO -0.27 0.63 -0.21 0.24 0.09 0.00 0.00 178.44 178.92 3dl4 h MET 477 N 1.03 0.00 -0.13 1.13 2.86 -0.90 -0.47 114.93 118.46 3dl4 h MET 477 Ca 0.29 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3dl4 h MET 477 Cb -0.09 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.57 3dl4 h MET 477 CO -0.07 0.21 -0.48 0.87 1.06 0.00 0.00 176.91 178.50 3dl4 h LYS 478 N 0.00 0.55 0.56 1.72 1.79 -0.01 -1.92 116.57 119.26 3dl4 h LYS 478 Ca -0.00 -0.42 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 3dl4 h LYS 478 Cb 0.39 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3dl4 h LYS 478 CO 0.03 1.05 -0.30 1.88 -1.08 0.00 0.00 179.45 181.03 3dl4 h TYR 479 N 0.17 -0.78 -0.32 -1.35 0.05 -0.34 0.28 116.97 114.68 3dl4 h TYR 479 Ca -0.02 -0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.78 3dl4 h TYR 479 Cb 1.12 0.26 -0.04 0.00 1.01 0.00 0.00 36.73 39.08 3dl4 h TYR 479 CO 0.11 -0.47 0.09 -1.49 -1.05 0.00 0.00 178.16 175.34 3dl4 h TRP 480 N -0.80 0.15 -0.00 4.88 -0.00 -1.17 0.22 115.95 119.23 3dl4 h TRP 480 Ca -0.07 0.02 -0.16 0.00 -0.00 0.00 0.00 58.89 58.67 3dl4 h TRP 480 Cb 0.63 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 3dl4 h TRP 480 CO -0.06 0.05 -0.76 1.79 -0.00 0.00 0.00 178.44 179.46 3dl4 h THR 481 N 0.21 1.54 -0.54 1.49 1.35 -1.27 0.11 112.91 115.81 3dl4 h THR 481 Ca 0.15 -2.59 -0.04 0.00 -0.55 0.00 0.00 66.41 63.37 3dl4 h THR 481 Cb 0.14 2.40 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3dl4 h THR 481 CO -0.18 0.74 0.17 0.78 -0.25 0.00 0.00 175.52 176.79 3dl4 h ASN 482 N 0.00 0.78 -0.71 5.36 2.35 -0.05 0.15 115.58 123.46 3dl4 h ASN 482 Ca -0.01 -0.20 0.02 0.00 -0.55 0.00 0.00 56.30 55.56 3dl4 h ASN 482 Cb 1.34 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 39.47 3dl4 h ASN 482 CO 0.10 0.78 0.46 0.15 -1.65 0.00 0.00 177.43 177.26 3dl4 h PHE 483 N 0.75 0.86 -0.71 1.19 3.57 0.08 -0.52 116.94 122.16 3dl4 h PHE 483 Ca 0.17 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3dl4 h PHE 483 Cb 0.27 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3dl4 h PHE 483 CO 0.02 0.51 0.37 0.00 -2.23 0.00 0.00 178.31 176.98 3dl4 h ALA 484 N 1.29 0.91 -0.44 2.41 0.00 -0.45 0.10 119.26 123.08 3dl4 h ALA 484 Ca 0.28 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3dl4 h ALA 484 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3dl4 h ALA 484 CO -0.09 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.53 3dl4 h ARG 485 N 0.98 0.82 0.00 0.00 3.08 -0.18 -3.40 114.38 115.68 3dl4 h ARG 485 Ca 0.25 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dl4 h ARG 485 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3dl4 h ARG 485 CO -0.04 0.92 -0.25 0.25 -1.07 0.00 0.00 179.97 179.79 3dl4 n THR 486 N -4.32 0.00 -0.37 2.04 -2.24 -0.25 -5.01 114.28 104.13 3dl4 n THR 486 Ca -0.00 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3dl4 n THR 486 Cb 0.35 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3dl4 n THR 486 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dl4 n GLY 487 N 0.94 0.73 2.84 3.38 0.00 0.35 -5.03 105.19 108.40 3dl4 n GLY 487 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3dl4 n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dl4 s ASP 488 N -2.64 0.76 0.00 1.61 -1.08 -1.25 -4.82 116.67 109.25 3dl4 s ASP 488 Ca 0.00 0.33 0.21 0.00 -0.52 0.00 0.00 52.55 52.57 3dl4 s ASP 488 Cb 0.00 0.30 1.04 0.00 -1.46 0.00 0.00 42.92 42.80 3dl4 s ASP 488 CO 0.00 -0.25 1.68 -0.81 0.52 0.00 0.00 175.17 176.32 3dl4 n PRO 489 N 5.33 0.23 -2.54 4.34 -0.04 -1.26 -3.42 135.00 137.63 3dl4 n PRO 489 Ca -0.05 0.10 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 3dl4 n PRO 489 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3dl4 n PRO 489 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dl4 s ASN 490 N -2.67 6.44 -0.50 3.54 0.01 -1.26 -4.39 114.94 116.10 3dl4 s ASN 490 Ca 0.18 1.96 -0.20 0.00 -0.71 0.00 0.00 52.86 54.09 3dl4 s ASN 490 Cb 0.14 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 39.28 3dl4 s ASN 490 CO 0.34 -0.71 0.69 -0.62 -1.51 0.00 0.00 177.10 175.28 3dl4 s ASP 491 N -1.87 6.26 0.16 -1.22 -1.08 -1.26 -4.93 116.67 112.73 3dl4 s ASP 491 Ca 0.65 -0.71 -0.29 0.00 -0.52 0.00 0.00 52.55 51.67 3dl4 s ASP 491 Cb -0.18 -2.32 -0.03 0.00 -1.46 0.00 0.00 42.92 38.93 3dl4 s ASP 491 CO 0.22 -0.94 1.55 1.55 0.52 0.00 0.00 175.17 178.07 3dl4 h PRO 492 N 9.04 -0.17 -6.14 4.34 0.13 -1.96 -3.13 132.00 134.11 3dl4 h PRO 492 Ca -0.27 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.36 3dl4 h PRO 492 Cb 1.09 0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 3dl4 h PRO 492 CO 0.98 -0.11 1.21 1.03 -0.23 0.00 0.00 178.00 180.87 3dl4 s ARG 493 N -5.66 2.90 0.00 0.86 0.52 -1.26 -4.81 118.95 111.50 3dl4 s ARG 493 Ca -0.13 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.23 3dl4 s ARG 493 Cb 0.11 -4.36 0.00 0.00 0.52 0.00 0.00 34.95 31.23 3dl4 s ARG 493 CO 0.64 -2.49 0.00 -3.47 0.02 0.00 0.00 175.30 169.99 3dl4 n ASP 494 N 11.23 0.00 -3.67 0.23 -0.08 -1.18 -5.19 116.55 117.88 3dl4 n ASP 494 Ca 0.14 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.32 3dl4 n ASP 494 Cb 0.51 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.92 3dl4 n ASP 494 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3dl4 s SER 495 N 0.00 -0.19 0.00 1.67 0.01 -1.26 -4.94 113.70 108.99 3dl4 s SER 495 Ca 0.00 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 56.89 3dl4 s SER 495 Cb 0.00 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.69 3dl4 s SER 495 CO 0.00 -0.84 0.00 0.29 0.41 0.00 0.00 173.24 173.10 3dl4 n LYS 496 N -0.21 0.00 -1.48 12.44 4.76 -1.26 -4.78 118.16 127.63 3dl4 n LYS 496 Ca -0.16 0.00 -0.53 0.00 -2.87 0.00 0.00 58.31 54.75 3dl4 n LYS 496 Cb 0.64 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.75 3dl4 n LYS 496 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3dl4 n SER 497 N 2.54 2.04 -4.74 4.39 3.41 -1.26 -4.72 113.62 115.28 3dl4 n SER 497 Ca 0.00 0.61 -0.33 0.00 -0.26 0.00 0.00 58.87 58.89 3dl4 n SER 497 Cb 0.00 -1.19 0.09 0.00 -0.26 0.00 0.00 64.21 62.86 3dl4 n SER 497 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3dl4 s PRO 498 N 5.55 2.13 0.50 4.33 0.02 -1.26 -4.97 135.00 141.30 3dl4 s PRO 498 Ca 1.08 1.50 -0.20 0.00 0.02 0.00 0.00 61.00 63.40 3dl4 s PRO 498 Cb -0.99 -1.86 -0.08 0.00 0.02 0.00 0.00 34.50 31.60 3dl4 s PRO 498 CO 0.55 -1.79 1.06 -0.65 -0.33 0.00 0.00 177.00 175.84 3dl4 s GLN 499 N -4.30 3.68 -0.55 5.54 -1.52 -1.26 -4.88 119.66 116.37 3dl4 s GLN 499 Ca 0.68 1.43 -0.24 0.00 -1.95 0.00 0.00 55.36 55.28 3dl4 s GLN 499 Cb -0.23 -2.07 0.04 0.00 -0.22 0.00 0.00 33.01 30.53 3dl4 s GLN 499 CO 0.49 -0.54 0.93 -0.46 -0.25 0.00 0.00 175.29 175.46 3dl4 s TRP 500 N -1.92 2.80 0.40 0.91 -0.11 -1.26 -4.96 118.94 114.80 3dl4 s TRP 500 Ca 0.69 -0.01 -0.23 0.00 1.22 0.00 0.00 56.10 57.77 3dl4 s TRP 500 Cb -0.18 -4.06 -0.10 0.00 -1.50 0.00 0.00 33.47 27.63 3dl4 s TRP 500 CO 0.22 -1.33 0.99 -1.25 -4.62 0.00 0.00 176.95 170.95 3dl4 s PRO 501 N 3.91 4.24 0.46 5.86 0.04 -1.26 -4.90 135.00 143.35 3dl4 s PRO 501 Ca 0.30 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.43 3dl4 s PRO 501 Cb -0.13 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 3dl4 s PRO 501 CO 0.19 -0.04 0.95 -2.30 0.04 0.00 0.00 177.00 175.84 3dl4 n PRO 502 N -0.23 1.19 -2.60 0.56 -0.02 -1.26 -4.68 135.00 127.95 3dl4 n PRO 502 Ca 0.06 0.43 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3dl4 n PRO 502 Cb 0.52 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 3dl4 n PRO 502 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3dl4 s TYR 503 N -1.36 3.73 0.07 6.00 6.14 0.34 -4.53 117.35 127.74 3dl4 s TYR 503 Ca 0.66 1.73 0.01 0.00 0.64 0.00 0.00 57.07 60.11 3dl4 s TYR 503 Cb -0.52 -3.16 -0.04 0.00 0.42 0.00 0.00 41.96 38.65 3dl4 s TYR 503 CO 0.55 -0.19 -0.06 0.95 0.64 0.00 0.00 175.55 177.45 3dl4 s THR 504 N -0.61 0.48 0.22 4.34 -4.23 -1.26 -4.44 115.64 110.13 3dl4 s THR 504 Ca 0.46 -1.61 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3dl4 s THR 504 Cb -0.28 -1.26 0.13 0.00 1.34 0.00 0.00 72.50 72.43 3dl4 s THR 504 CO 0.34 -0.76 1.74 0.71 -0.54 0.00 0.00 174.62 176.12 3dl4 h THR 505 N 3.53 1.26 0.10 3.99 1.35 -1.91 -0.03 112.91 121.18 3dl4 h THR 505 Ca -0.35 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3dl4 h THR 505 Cb 1.17 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3dl4 h THR 505 CO 0.57 0.36 -0.05 0.00 -0.25 0.00 0.00 175.52 176.16 3dl4 h ALA 506 N 1.15 -0.97 0.00 6.62 0.00 -1.99 -3.38 119.26 120.69 3dl4 h ALA 506 Ca 0.21 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3dl4 h ALA 506 Cb 0.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dl4 h ALA 506 CO 0.00 -0.96 -0.91 0.00 0.00 0.00 0.00 179.25 177.38 3dl4 h ALA 507 N -1.93 0.61 -6.30 0.00 0.00 -1.97 -3.49 119.26 106.18 3dl4 h ALA 507 Ca -0.01 -0.70 -0.46 0.00 0.00 0.00 0.00 54.91 53.73 3dl4 h ALA 507 Cb 0.10 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3dl4 h ALA 507 CO 0.02 0.87 -0.84 1.04 0.00 0.00 0.00 179.25 180.35 3dl4 n GLN 508 N -3.15 -4.33 -3.25 0.00 6.02 -0.03 -4.31 117.38 108.34 3dl4 n GLN 508 Ca -0.03 0.53 -0.38 0.00 -0.01 0.00 0.00 57.00 57.11 3dl4 n GLN 508 Cb 0.82 -4.99 -0.06 0.00 1.02 0.00 0.00 30.24 27.04 3dl4 n GLN 508 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3dl4 s GLN 509 N -6.33 4.33 0.28 -1.09 -0.21 -1.26 0.72 119.66 116.10 3dl4 s GLN 509 Ca 0.14 0.59 0.02 0.00 0.02 0.00 0.00 55.36 56.13 3dl4 s GLN 509 Cb -0.07 -3.41 -0.04 0.00 1.00 0.00 0.00 33.01 30.49 3dl4 s GLN 509 CO 0.85 0.21 0.13 1.52 -2.12 0.00 0.00 175.29 175.88 3dl4 s TYR 510 N 0.39 1.55 0.14 0.91 1.13 0.14 -3.93 117.35 117.68 3dl4 s TYR 510 Ca 0.29 -1.28 0.11 0.00 -1.41 0.00 0.00 57.07 54.77 3dl4 s TYR 510 Cb -0.16 -0.87 -0.04 0.00 -1.10 0.00 0.00 41.96 39.79 3dl4 s TYR 510 CO 0.13 -0.44 -0.23 0.14 -2.51 0.00 0.00 175.55 172.64 3dl4 s VAL 511 N -3.70 2.47 -0.03 -3.49 -7.23 -0.89 -0.43 120.40 107.11 3dl4 s VAL 511 Ca 0.37 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.55 3dl4 s VAL 511 Cb 0.06 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3dl4 s VAL 511 CO 0.15 0.03 0.69 -0.94 -0.31 0.00 0.00 175.10 174.72 3dl4 s SER 512 N -2.27 7.03 -0.34 4.85 1.04 -0.70 -1.34 113.70 121.97 3dl4 s SER 512 Ca 0.17 1.24 -0.09 0.00 0.48 0.00 0.00 55.95 57.75 3dl4 s SER 512 Cb -0.10 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.64 3dl4 s SER 512 CO 0.08 -0.04 0.14 -0.76 0.98 0.00 0.00 173.24 173.65 3dl4 s LEU 513 N 0.39 4.38 0.00 2.42 1.43 0.79 -3.94 118.68 124.16 3dl4 s LEU 513 Ca 0.36 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 3dl4 s LEU 513 Cb -0.18 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.09 3dl4 s LEU 513 CO 0.19 -0.32 0.00 -0.46 0.23 0.00 0.00 176.35 175.99 3dl4 n ASN 514 N 4.91 0.00 0.06 2.29 0.23 -1.26 -0.73 115.26 120.76 3dl4 n ASN 514 Ca -0.13 -0.49 -0.07 0.00 -0.53 0.00 0.00 54.58 53.37 3dl4 n ASN 514 Cb 0.46 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 38.26 3dl4 n ASN 514 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 3dl4 h LEU 515 N 0.00 0.38-10.25 -4.53 3.38 -1.95 -3.43 115.31 98.90 3dl4 h LEU 515 Ca 0.00 -0.22 -0.52 0.00 0.09 0.00 0.00 57.88 57.23 3dl4 h LEU 515 Cb 0.00 -0.11 0.16 0.00 0.09 0.00 0.00 40.66 40.80 3dl4 h LEU 515 CO 0.00 0.89 0.32 -0.54 0.09 0.00 0.00 178.44 179.20 3dl4 s LYS 516 N -3.81 1.89 1.04 1.13 1.02 -1.26 -5.00 119.74 114.75 3dl4 s LYS 516 Ca -0.05 1.49 -0.12 0.00 0.02 0.00 0.00 55.97 57.31 3dl4 s LYS 516 Cb 0.12 -1.83 0.22 0.00 -0.52 0.00 0.00 37.83 35.81 3dl4 s LYS 516 CO 0.81 -1.97 1.07 -2.14 -0.92 0.00 0.00 175.35 172.20 3dl4 s PRO 517 N -4.44 0.03 0.10 -1.68 0.02 -1.26 -4.86 135.00 122.92 3dl4 s PRO 517 Ca 0.67 0.87 -0.36 0.00 0.02 0.00 0.00 61.00 62.21 3dl4 s PRO 517 Cb -0.23 -1.66 -0.16 0.00 0.02 0.00 0.00 34.50 32.47 3dl4 s PRO 517 CO 0.52 -3.09 1.33 1.28 -0.33 0.00 0.00 177.00 176.71 3dl4 n LEU 518 N -4.48 1.71 -4.44 -5.54 4.77 -1.26 -4.94 117.00 102.82 3dl4 n LEU 518 Ca 0.05 1.12 -0.33 0.00 -0.03 0.00 0.00 56.01 56.82 3dl4 n LEU 518 Cb 0.55 -1.21 -0.13 0.00 -2.33 0.00 0.00 43.42 40.30 3dl4 n LEU 518 CO 0.56 -1.04 -0.42 -0.70 -1.33 0.00 0.00 177.39 174.46 3dl4 s GLU 519 N 0.39 3.20 -0.23 3.23 2.12 -1.25 -4.63 118.70 121.53 3dl4 s GLU 519 Ca 0.83 -0.64 -0.17 0.00 0.36 0.00 0.00 54.97 55.35 3dl4 s GLU 519 Cb -0.93 -2.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.80 3dl4 s GLU 519 CO 0.47 0.35 0.45 0.08 -0.54 0.00 0.00 175.26 176.07 3dl4 s VAL 520 N 0.01 5.14 0.30 3.70 1.01 -1.26 -1.72 120.40 127.58 3dl4 s VAL 520 Ca -0.03 0.78 0.10 0.00 0.00 0.00 0.00 61.98 62.84 3dl4 s VAL 520 Cb -0.14 -3.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3dl4 s VAL 520 CO 0.04 0.17 -0.08 -0.13 0.00 0.00 0.00 175.10 175.10 3dl4 s ARG 521 N 1.81 1.96 -0.08 2.72 0.52 0.43 -4.97 118.95 121.34 3dl4 s ARG 521 Ca 0.20 -1.70 0.04 0.00 -0.52 0.00 0.00 55.73 53.75 3dl4 s ARG 521 Cb -0.15 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3dl4 s ARG 521 CO 0.09 0.26 -0.21 1.03 0.02 0.00 0.00 175.30 176.49 3dl4 s ARG 522 N -3.62 2.61 0.05 3.54 0.52 -1.26 -0.68 118.95 120.11 3dl4 s ARG 522 Ca 0.32 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 3dl4 s ARG 522 Cb -0.03 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.39 3dl4 s ARG 522 CO 0.18 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.09 3dl4 n GLY 523 N 3.46 -3.92 3.32 -3.53 0.00 0.22 -4.93 105.19 99.81 3dl4 n GLY 523 Ca -0.19 -0.71 -0.46 0.00 0.00 0.00 0.00 46.02 44.65 3dl4 n GLY 523 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dl4 s LEU 524 N -0.33 6.68 -1.53 0.99 2.96 -1.26 -4.39 118.68 121.80 3dl4 s LEU 524 Ca 0.00 -2.82 -0.14 0.00 -0.22 0.00 0.00 54.13 50.95 3dl4 s LEU 524 Cb 0.00 -2.20 0.08 0.00 0.50 0.00 0.00 46.19 44.57 3dl4 s LEU 524 CO 0.00 -0.53 0.99 0.54 -1.32 0.00 0.00 176.35 176.03 3dl4 n ARG 525 N 3.79 -5.63 -0.14 1.98 5.12 -1.26 -4.73 116.66 115.78 3dl4 n ARG 525 Ca 0.15 0.61 -0.03 0.00 -1.93 0.00 0.00 57.85 56.64 3dl4 n ARG 525 Cb 0.46 -5.50 0.05 0.00 -1.16 0.00 0.00 32.46 26.30 3dl4 n ARG 525 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dl4 h ALA 526 N 0.97 0.50 -0.03 7.54 0.00 -1.94 0.55 119.26 126.85 3dl4 h ALA 526 Ca -0.58 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 3dl4 h ALA 526 Cb 1.38 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3dl4 h ALA 526 CO 0.67 -0.32 0.01 1.96 0.00 0.00 0.00 179.25 181.57 3dl4 h GLN 527 N 0.22 0.05 -0.10 0.00 1.08 -1.97 -2.39 115.11 112.00 3dl4 h GLN 527 Ca 0.23 -0.01 -0.10 0.00 -1.45 0.00 0.00 58.65 57.32 3dl4 h GLN 527 Cb 0.29 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3dl4 h GLN 527 CO -0.30 0.20 -0.38 1.15 -0.95 0.00 0.00 178.83 178.55 3dl4 h THR 528 N -0.11 1.30 0.00 -0.54 2.02 -1.69 -2.57 112.91 111.31 3dl4 h THR 528 Ca 0.01 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.64 3dl4 h THR 528 Cb 0.17 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 3dl4 h THR 528 CO -0.00 0.43 -0.54 0.00 0.37 0.00 0.00 175.52 175.78 3dl4 h ALA 530 N 1.46 1.44 0.25 0.00 0.00 -1.03 0.48 119.26 121.85 3dl4 h ALA 530 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dl4 h ALA 530 Cb 1.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dl4 h ALA 530 CO 0.07 0.40 -0.12 0.35 0.00 0.00 0.00 179.25 179.95 3dl4 h PHE 531 N 1.14 -0.31 -0.25 0.00 3.57 -1.23 0.15 116.94 120.01 3dl4 h PHE 531 Ca 0.44 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.75 3dl4 h PHE 531 Cb 0.21 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 3dl4 h PHE 531 CO -0.00 -0.19 -0.56 -1.49 -2.23 0.00 0.00 178.31 173.84 3dl4 h TRP 532 N -0.34 0.98 0.00 0.41 4.06 -1.10 0.20 115.95 120.16 3dl4 h TRP 532 Ca -0.03 -0.35 -0.11 0.00 2.06 0.00 0.00 58.89 60.45 3dl4 h TRP 532 Cb 0.26 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 3dl4 h TRP 532 CO -0.06 1.16 -1.59 0.09 -3.56 0.00 0.00 178.44 174.47 3dl4 n ASN 533 N -3.99 0.52 -0.06 -3.49 3.02 0.16 -4.26 115.26 107.17 3dl4 n ASN 533 Ca -0.04 0.22 -0.11 0.00 -0.03 0.00 0.00 54.58 54.62 3dl4 n ASN 533 Cb 0.63 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 40.56 3dl4 n ASN 533 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dl4 n ARG 534 N -2.66 0.28 -0.09 3.52 1.74 0.50 -4.77 116.66 115.19 3dl4 n ARG 534 Ca -0.09 0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3dl4 n ARG 534 Cb 0.74 -1.09 -0.12 0.00 -1.02 0.00 0.00 32.46 30.97 3dl4 n ARG 534 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3dl4 h PHE 535 N -0.23 0.04 -0.78 -1.55 3.57 -1.14 -3.38 116.94 113.48 3dl4 h PHE 535 Ca -0.29 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.31 3dl4 h PHE 535 Cb 1.34 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.99 3dl4 h PHE 535 CO -0.01 1.48 0.35 1.25 -2.23 0.00 0.00 178.31 179.15 3dl4 h LEU 536 N -0.91 0.37 -0.68 0.59 7.12 -0.78 -1.30 115.31 119.71 3dl4 h LEU 536 Ca -0.33 0.10 0.04 0.00 0.13 0.00 0.00 57.88 57.82 3dl4 h LEU 536 Cb 1.35 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.48 3dl4 h LEU 536 CO -0.17 0.16 0.41 -0.65 -0.13 0.00 0.00 178.44 178.06 3dl4 h PRO 537 N 0.51 0.77 0.00 5.25 0.11 -1.77 -1.81 132.00 135.06 3dl4 h PRO 537 Ca 0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3dl4 h PRO 537 Cb 0.61 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3dl4 h PRO 537 CO -0.37 0.51 0.00 -0.22 -0.21 0.00 0.00 178.00 177.70 3dl4 h LYS 538 N 0.79 0.00 -0.54 1.05 3.64 -1.41 -2.24 116.57 117.85 3dl4 h LYS 538 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3dl4 h LYS 538 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3dl4 h LYS 538 CO -0.13 0.00 0.00 -0.11 -2.27 0.00 0.00 179.45 176.94 3dl4 n LEU 539 N -2.79 2.38 0.00 5.20 7.94 -0.68 -5.13 117.00 123.93 3dl4 n LEU 539 Ca -0.02 -1.20 0.00 0.00 -1.11 0.00 0.00 56.01 53.68 3dl4 n LEU 539 Cb 0.06 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 43.63 3dl4 n LEU 539 CO 0.17 0.44 0.00 0.18 -1.11 0.00 0.00 177.39 177.06