#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hle s HIS -10 N 0.00 3.51 -0.10 1.57 4.02 -1.26 -5.03 115.29 118.00 3hle s HIS -10 Ca 0.00 1.01 -0.26 0.00 1.02 0.00 0.00 55.06 56.84 3hle s HIS -10 Cb 0.00 -2.64 -0.02 0.00 -1.02 0.00 0.00 32.58 28.90 3hle s HIS -10 CO 0.00 -0.65 0.82 -1.12 1.02 0.00 0.00 174.74 174.82 3hle s SER -9 N -4.20 7.05 0.20 1.40 0.01 -1.26 -4.99 113.70 111.91 3hle s SER -9 Ca 0.53 1.28 -0.32 0.00 1.31 0.00 0.00 55.95 58.75 3hle s SER -9 Cb -0.11 -2.47 -0.12 0.00 0.21 0.00 0.00 66.02 63.54 3hle s SER -9 CO 0.50 -0.29 1.70 -0.94 0.41 0.00 0.00 173.24 174.62 3hle s SER -8 N 1.01 6.40 0.00 2.44 1.04 -1.26 -2.02 113.70 121.31 3hle s SER -8 Ca 0.41 2.84 0.00 0.00 0.48 0.00 0.00 55.95 59.68 3hle s SER -8 Cb -0.18 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.34 3hle s SER -8 CO 0.17 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.05 3hle n GLY -7 N 3.93 1.50 3.51 7.32 0.00 -1.26 -5.03 105.19 115.16 3hle n GLY -7 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3hle n GLY -7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hle s LEU -6 N 0.00 2.77 0.18 0.99 1.43 -0.86 -5.10 118.68 118.09 3hle s LEU -6 Ca 0.00 -0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 52.25 3hle s LEU -6 Cb 0.00 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 3hle s LEU -6 CO 0.00 0.17 1.37 -0.69 0.23 0.00 0.00 176.35 177.43 3hle s VAL -5 N -1.23 3.11 -0.82 -1.59 1.01 -1.26 -4.66 120.40 114.95 3hle s VAL -5 Ca 0.19 0.87 -0.25 0.00 0.00 0.00 0.00 61.98 62.79 3hle s VAL -5 Cb -0.10 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.72 3hle s VAL -5 CO 0.11 0.11 1.68 -2.16 0.00 0.00 0.00 175.10 174.84 3hle s PRO -4 N 0.29 2.94 0.26 2.72 0.04 -1.26 -4.96 135.00 135.02 3hle s PRO -4 Ca 0.60 -0.25 0.04 0.00 0.04 0.00 0.00 61.00 61.44 3hle s PRO -4 Cb -0.38 -4.79 0.04 0.00 0.04 0.00 0.00 34.50 29.41 3hle s PRO -4 CO 0.36 -2.70 0.36 0.54 0.04 0.00 0.00 177.00 175.59 3hle n ARG -3 N 9.05 0.82 -2.04 4.56 5.12 -1.26 -5.07 116.66 127.84 3hle n ARG -3 Ca 0.26 -1.39 -0.41 0.00 -1.93 0.00 0.00 57.85 54.38 3hle n ARG -3 Cb 0.50 -0.11 -0.02 0.00 -1.16 0.00 0.00 32.46 31.67 3hle n ARG -3 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3hle s GLY -2 N -3.17 2.41 0.00 -0.13 0.00 -1.26 -4.95 107.32 100.22 3hle s GLY -2 Ca 0.27 1.30 0.07 0.00 0.00 0.00 0.00 44.72 46.36 3hle s GLY -2 CO 0.17 2.22 0.37 -1.14 0.00 0.00 0.00 173.10 174.72 3hle n SER -1 N 2.20 0.52 -2.45 1.64 3.41 -1.26 -4.85 113.62 112.83 3hle n SER -1 Ca 0.06 -0.76 -0.12 0.00 -0.26 0.00 0.00 58.87 57.79 3hle n SER -1 Cb 0.41 0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 65.19 3hle n SER -1 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hle n HIS 0 N -0.96 -0.88 -0.05 7.33 1.44 -1.26 -5.09 115.22 115.75 3hle n HIS 0 Ca 0.02 -1.76 -0.11 0.00 -2.01 0.00 0.00 57.72 53.86 3hle n HIS 0 Cb 0.13 0.30 -0.05 0.00 0.12 0.00 0.00 29.99 30.48 3hle n HIS 0 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 3hle h MET 1 N 0.00 0.29 -0.41 -1.40 0.00 -2.00 -2.86 114.93 108.55 3hle h MET 1 Ca -0.18 -0.08 0.06 0.00 0.00 0.00 0.00 59.70 59.51 3hle h MET 1 Cb 0.82 -0.03 -0.05 0.00 0.00 0.00 0.00 31.60 32.33 3hle h MET 1 CO 0.25 0.46 0.09 0.78 0.00 0.00 0.00 176.91 178.49 3hle h GLY 2 N 0.08 0.50 1.39 8.32 0.00 -2.01 -2.85 103.07 108.50 3hle h GLY 2 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hle h GLY 2 CO 0.00 -0.03 -0.07 -1.14 0.00 0.00 0.00 176.54 175.30 3hle n SER 3 N -5.08 0.19 -0.02 0.19 3.41 -1.21 -3.01 113.62 108.09 3hle n SER 3 Ca 0.03 -0.17 -0.08 0.00 -0.26 0.00 0.00 58.87 58.39 3hle n SER 3 Cb 0.18 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 3hle n SER 3 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hle h ILE 4 N 0.18 0.89 -0.15 -1.33 2.04 -1.28 -3.14 117.51 114.71 3hle h ILE 4 Ca 0.00 -2.73 -0.11 0.00 1.00 0.00 0.00 64.86 63.01 3hle h ILE 4 Cb 0.37 2.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.87 3hle h ILE 4 CO 0.00 0.51 -0.40 0.40 0.00 0.00 0.00 178.15 178.65 3hle h ILE 5 N 0.00 1.31 -0.11 -0.67 2.04 -1.43 -3.26 117.51 115.39 3hle h ILE 5 Ca -0.27 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 63.96 3hle h ILE 5 Cb 1.99 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 39.71 3hle h ILE 5 CO 0.08 0.47 -0.33 0.44 0.00 0.00 0.00 178.15 178.80 3hle h ASP 6 N 0.29 0.48 -0.80 1.72 3.32 -1.67 -3.34 116.42 116.43 3hle h ASP 6 Ca 0.03 -0.61 0.23 0.00 0.02 0.00 0.00 57.03 56.70 3hle h ASP 6 Cb 0.84 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3hle h ASP 6 CO 0.07 1.00 0.62 0.00 -1.72 0.00 0.00 179.24 179.21 3hle h ALA 7 N 0.49 2.70 -3.41 3.45 0.00 -1.58 -3.36 119.26 117.55 3hle h ALA 7 Ca -0.01 -0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.21 3hle h ALA 7 Cb 0.96 0.06 -0.25 0.00 0.00 0.00 0.00 17.79 18.55 3hle h ALA 7 CO 0.07 -1.03 -0.75 0.00 0.00 0.00 0.00 179.25 177.54 3hle s ALA 8 N -4.88 2.69 0.91 0.00 0.00 -1.25 -5.13 121.76 114.09 3hle s ALA 8 Ca -0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.90 3hle s ALA 8 Cb 0.20 -1.23 0.14 0.00 0.00 0.00 0.00 23.12 22.22 3hle s ALA 8 CO 0.72 0.29 1.14 0.00 0.00 0.00 0.00 175.76 177.91 3hle s ALA 9 N 0.19 1.82 1.03 0.00 0.00 -1.26 -4.91 121.76 118.63 3hle s ALA 9 Ca -0.07 -0.54 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 3hle s ALA 9 Cb -0.15 -3.03 0.21 0.00 0.00 0.00 0.00 23.12 20.15 3hle s ALA 9 CO 0.05 -2.26 1.08 0.00 0.00 0.00 0.00 175.76 174.62 3hle s ALA 10 N -3.30 0.64 -0.20 0.00 0.00 -1.26 -4.95 121.76 112.70 3hle s ALA 10 Ca 0.64 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.07 3hle s ALA 10 Cb -0.14 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3hle s ALA 10 CO 0.53 -3.06 1.22 0.00 0.00 0.00 0.00 175.76 174.44 3hle s ALA 11 N -2.82 3.63 1.01 0.00 0.00 -1.26 -5.04 121.76 117.29 3hle s ALA 11 Ca 0.66 0.35 -0.15 0.00 0.00 0.00 0.00 51.96 52.81 3hle s ALA 11 Cb -0.20 -3.62 0.20 0.00 0.00 0.00 0.00 23.12 19.49 3hle s ALA 11 CO 0.59 -1.22 1.17 0.20 0.00 0.00 0.00 175.76 176.51 3hle s GLY 12 N 1.90 1.63 0.29 0.00 0.00 -1.26 -4.81 107.32 105.07 3hle s GLY 12 Ca 0.52 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3hle s GLY 12 CO 0.14 -0.10 1.87 -2.55 0.00 0.00 0.00 173.10 172.45 3hle h PRO 13 N -1.87 1.00 -0.21 2.90 0.11 -1.96 -2.36 132.00 129.60 3hle h PRO 13 Ca -0.48 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3hle h PRO 13 Cb 1.30 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3hle h PRO 13 CO 0.48 0.66 -0.13 0.28 -0.21 0.00 0.00 178.00 179.08 3hle h VAL 14 N 1.03 1.31 -0.48 3.15 2.07 -1.93 -1.46 116.25 119.93 3hle h VAL 14 Ca 0.45 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3hle h VAL 14 Cb 0.36 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3hle h VAL 14 CO -0.21 0.37 0.26 0.58 0.02 0.00 0.00 177.57 178.59 3hle h VAL 15 N 0.16 0.99 -0.81 2.57 2.07 -1.89 -0.52 116.25 118.82 3hle h VAL 15 Ca 0.04 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3hle h VAL 15 Cb 0.64 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 3hle h VAL 15 CO 0.04 0.09 0.34 -0.07 0.02 0.00 0.00 177.57 177.99 3hle h LEU 16 N 0.51 1.11 -0.60 2.57 3.38 -1.36 -2.29 115.31 118.64 3hle h LEU 16 Ca 0.21 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hle h LEU 16 Cb 0.09 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3hle h LEU 16 CO -0.13 0.97 0.17 -0.03 0.09 0.00 0.00 178.44 179.52 3hle h MET 17 N 1.18 0.95 -0.87 1.13 4.05 -0.92 -2.49 114.93 117.97 3hle h MET 17 Ca 0.27 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 3hle h MET 17 Cb 0.20 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 3hle h MET 17 CO -0.02 0.85 0.57 0.93 0.23 0.00 0.00 176.91 179.47 3hle h GLU 18 N 0.87 1.15 -0.89 0.39 5.08 -0.76 -1.87 114.58 118.54 3hle h GLU 18 Ca 0.19 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3hle h GLU 18 Cb 0.31 -0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 3hle h GLU 18 CO -0.00 0.77 0.57 1.15 -1.00 0.00 0.00 179.01 180.49 3hle h THR 19 N 1.18 1.10 -0.86 1.13 2.02 -1.14 -0.06 112.91 116.28 3hle h THR 19 Ca 0.32 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3hle h THR 19 Cb -0.12 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.18 3hle h THR 19 CO -0.07 0.20 0.48 0.00 0.37 0.00 0.00 175.52 176.50 3hle h ALA 20 N 1.40 1.10 -0.41 6.16 0.00 -0.92 0.19 119.26 126.78 3hle h ALA 20 Ca 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hle h ALA 20 Cb 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3hle h ALA 20 CO -0.15 0.60 0.08 0.74 0.00 0.00 0.00 179.25 180.52 3hle h PHE 21 N 1.20 0.70 -0.75 0.00 0.04 -0.60 -1.96 116.94 115.57 3hle h PHE 21 Ca 0.30 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 3hle h PHE 21 Cb 0.01 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 3hle h PHE 21 CO 0.01 0.68 0.38 0.00 -0.60 0.00 0.00 178.31 178.77 3hle h ARG 22 N 0.52 1.07 -0.37 1.51 3.08 -0.69 -1.90 114.38 117.60 3hle h ARG 22 Ca 0.13 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3hle h ARG 22 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3hle h ARG 22 CO 0.00 0.82 -0.07 0.87 -1.07 0.00 0.00 179.97 180.52 3hle h LYS 23 N 1.05 0.62 -0.23 0.04 1.57 -0.92 0.36 116.57 119.04 3hle h LYS 23 Ca 0.26 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3hle h LYS 23 Cb 0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3hle h LYS 23 CO -0.04 0.69 -0.41 0.00 -0.57 0.00 0.00 179.45 179.13 3hle h ALA 24 N 1.35 0.85 -0.07 3.86 0.00 -0.82 0.14 119.26 124.56 3hle h ALA 24 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3hle h ALA 24 Cb 0.48 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hle h ALA 24 CO 0.03 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.18 3hle h VAL 25 N 0.46 1.29 -0.92 0.00 2.07 -1.18 0.45 116.25 118.42 3hle h VAL 25 Ca 0.04 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3hle h VAL 25 Cb 0.91 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 3hle h VAL 25 CO 0.08 0.26 0.59 -0.33 0.02 0.00 0.00 177.57 178.19 3hle h GLU 26 N -0.20 1.11 -0.18 1.57 5.08 -0.77 -1.17 114.58 120.02 3hle h GLU 26 Ca 0.02 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hle h GLU 26 Cb 0.41 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hle h GLU 26 CO 0.01 0.73 0.00 -1.13 -1.00 0.00 0.00 179.01 177.62 3hle n SER 27 N -4.51 1.19 -1.85 1.42 3.41 0.02 -4.91 113.62 108.38 3hle n SER 27 Ca 0.12 -1.81 -0.17 0.00 -0.26 0.00 0.00 58.87 56.75 3hle n SER 27 Cb 0.11 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 3hle n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hle n ARG 28 N 0.08 -1.34 0.09 4.33 5.12 -0.44 -4.91 116.66 119.59 3hle n ARG 28 Ca 0.11 0.87 -0.13 0.00 -1.93 0.00 0.00 57.85 56.77 3hle n ARG 28 Cb 0.22 -5.28 -0.10 0.00 -1.16 0.00 0.00 32.46 26.14 3hle n ARG 28 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3hle h GLN 29 N 0.00 0.25 -5.48 5.56 4.20 -1.14 -3.45 115.11 115.05 3hle h GLN 29 Ca -0.40 -0.36 -0.43 0.00 0.06 0.00 0.00 58.65 57.53 3hle h GLN 29 Cb 1.27 0.12 -0.16 0.00 0.30 0.00 0.00 27.48 29.01 3hle h GLN 29 CO 0.48 1.13 -0.75 0.96 -0.67 0.00 0.00 178.83 179.98 3hle s ILE 30 N -2.86 1.49 -0.03 2.54 -4.36 -1.04 -4.98 121.20 111.97 3hle s ILE 30 Ca -0.03 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.17 3hle s ILE 30 Cb 0.08 -1.78 -0.21 0.00 1.25 0.00 0.00 42.46 41.81 3hle s ILE 30 CO 0.86 -0.51 1.13 1.55 0.24 0.00 0.00 174.94 178.21 3hle h PRO 31 N 3.08 0.18 0.00 0.37 0.14 -1.89 -3.39 132.00 130.49 3hle h PRO 31 Ca -0.39 -0.15 0.20 0.00 0.14 0.00 0.00 66.00 65.80 3hle h PRO 31 Cb 1.20 0.03 -0.04 0.00 0.14 0.00 0.00 31.00 32.34 3hle h PRO 31 CO 0.56 0.81 0.53 0.41 0.14 0.00 0.00 178.00 180.45 3hle n GLY 32 N 0.75 0.37 3.49 1.56 0.00 -1.18 0.01 105.19 110.19 3hle n GLY 32 Ca -0.09 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 3hle n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hle s ALA 33 N -1.57 -1.72 -0.10 4.61 0.00 -0.35 -4.59 121.76 118.03 3hle s ALA 33 Ca 0.17 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.24 3hle s ALA 33 Cb -0.00 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.38 3hle s ALA 33 CO -0.01 -0.49 -0.20 0.08 0.00 0.00 0.00 175.76 175.15 3hle s VAL 34 N -1.95 1.78 -0.03 0.00 1.01 -0.29 -0.37 120.40 120.55 3hle s VAL 34 Ca -0.07 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.14 3hle s VAL 34 Cb -0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3hle s VAL 34 CO 0.03 0.50 -0.25 0.27 0.00 0.00 0.00 175.10 175.64 3hle s ILE 35 N 0.59 2.01 -0.04 2.22 -4.36 -0.27 -0.61 121.20 120.75 3hle s ILE 35 Ca -0.14 -1.08 -0.06 0.00 -0.26 0.00 0.00 60.65 59.11 3hle s ILE 35 Cb -0.17 -1.68 0.01 0.00 1.25 0.00 0.00 42.46 41.87 3hle s ILE 35 CO 0.04 0.57 0.14 -0.04 0.24 0.00 0.00 174.94 175.89 3hle s MET 36 N -0.48 0.26 -0.07 0.37 -1.94 -0.14 -1.28 119.30 116.03 3hle s MET 36 Ca 0.06 0.02 -0.05 0.00 -1.71 0.00 0.00 55.69 54.01 3hle s MET 36 Cb -0.11 0.12 0.02 0.00 2.01 0.00 0.00 34.83 36.87 3hle s MET 36 CO 0.00 -0.05 0.17 0.00 -0.01 0.00 0.00 175.02 175.13 3hle s ALA 37 N -0.37 -0.40 0.02 3.03 0.00 -0.01 -0.95 121.76 123.08 3hle s ALA 37 Ca -0.05 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3hle s ALA 37 Cb -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3hle s ALA 37 CO 0.01 -0.10 -0.03 1.03 0.00 0.00 0.00 175.76 176.66 3hle s ARG 38 N 0.31 0.32 0.53 0.00 0.52 -0.43 -1.24 118.95 118.94 3hle s ARG 38 Ca -0.02 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.66 3hle s ARG 38 Cb -0.03 0.06 0.03 0.00 0.52 0.00 0.00 34.95 35.52 3hle s ARG 38 CO -0.01 -0.04 0.37 0.16 0.02 0.00 0.00 175.30 175.80 3hle s ASP 39 N -1.39 4.61 0.16 0.23 -4.77 -1.10 -0.86 116.67 113.55 3hle s ASP 39 Ca -0.14 -1.24 -0.03 0.00 -3.30 0.00 0.00 52.55 47.84 3hle s ASP 39 Cb -0.09 0.33 -0.01 0.00 -1.09 0.00 0.00 42.92 42.05 3hle s ASP 39 CO -0.01 -1.04 1.38 0.00 0.70 0.00 0.00 175.17 176.21 3hle h ALA 40 N 0.84 0.50 0.00 2.11 0.00 -1.91 -3.32 119.26 117.48 3hle h ALA 40 Ca -0.38 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 53.85 3hle h ALA 40 Cb 1.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hle h ALA 40 CO 0.59 0.78 -0.21 0.66 0.00 0.00 0.00 179.25 181.07 3hle h SER 41 N 0.28 0.00 0.00 0.00 4.64 -1.93 -3.47 113.55 113.07 3hle h SER 41 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3hle h SER 41 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 3hle h SER 41 CO 0.14 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 3hle n GLY 42 N -0.17 1.38 0.24 -0.77 0.00 -1.25 -4.93 105.19 99.68 3hle n GLY 42 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 3hle n GLY 42 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3hle h ASN 43 N 0.00 0.00 -3.61 1.61 4.21 -1.90 -3.37 115.58 112.52 3hle h ASN 43 Ca 0.00 0.00 -0.68 0.00 1.21 0.00 0.00 56.30 56.83 3hle h ASN 43 Cb 0.00 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 36.93 3hle h ASN 43 CO 0.00 0.20 -0.63 -0.22 -1.29 0.00 0.00 177.43 175.49 3hle s LEU 44 N -7.29 3.91 -0.41 1.61 2.96 -1.26 -5.00 118.68 113.20 3hle s LEU 44 Ca -0.02 -0.83 0.04 0.00 -0.22 0.00 0.00 54.13 53.10 3hle s LEU 44 Cb 0.12 -1.86 0.17 0.00 0.50 0.00 0.00 46.19 45.12 3hle s LEU 44 CO 0.62 -0.22 0.40 0.21 -1.32 0.00 0.00 176.35 176.05 3hle s ASN 45 N 1.46 1.04 -0.16 3.68 3.84 -1.26 -2.71 114.94 120.83 3hle s ASN 45 Ca 0.01 -2.32 -0.00 0.00 0.21 0.00 0.00 52.86 50.76 3hle s ASN 45 Cb -0.18 0.25 -0.00 0.00 -0.55 0.00 0.00 41.25 40.77 3hle s ASN 45 CO 0.02 -0.19 -0.14 -0.47 -2.79 0.00 0.00 177.10 173.53 3hle s TYR 46 N 0.71 2.81 -0.03 0.43 5.04 -0.38 -5.01 117.35 120.92 3hle s TYR 46 Ca 0.26 -1.03 -0.00 0.00 -2.44 0.00 0.00 57.07 53.86 3hle s TYR 46 Cb -0.06 -1.92 0.03 0.00 0.35 0.00 0.00 41.96 40.37 3hle s TYR 46 CO -0.10 -0.48 0.02 0.99 -1.34 0.00 0.00 175.55 174.65 3hle s THR 47 N 0.89 0.01 -0.00 4.34 2.01 -1.26 -0.83 115.64 120.80 3hle s THR 47 Ca -0.03 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3hle s THR 47 Cb -0.15 -0.15 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 3hle s THR 47 CO -0.01 0.12 -0.05 -0.13 -0.69 0.00 0.00 174.62 173.86 3hle s ARG 48 N 1.19 0.40 -0.06 4.92 1.81 -0.40 -5.02 118.95 121.78 3hle s ARG 48 Ca -0.08 -0.19 0.04 0.00 -1.72 0.00 0.00 55.73 53.79 3hle s ARG 48 Cb -0.13 -0.38 -0.00 0.00 -0.45 0.00 0.00 34.95 33.99 3hle s ARG 48 CO -0.03 0.10 -0.19 0.00 -0.68 0.00 0.00 175.30 174.50 3hle s PHE 50 N 0.18 1.33 0.00 0.00 0.08 0.50 -5.00 117.98 115.08 3hle s PHE 50 Ca -0.09 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.69 3hle s PHE 50 Cb -0.14 -0.85 0.00 0.00 -0.57 0.00 0.00 43.02 41.46 3hle s PHE 50 CO 0.04 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.56 3hle n GLY 51 N 2.61 0.09 3.73 4.36 0.00 -1.26 -1.21 105.19 113.51 3hle n GLY 51 Ca -0.15 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 3hle n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hle s ALA 52 N -1.52 3.37 -2.00 4.61 0.00 0.10 -1.49 121.76 124.83 3hle s ALA 52 Ca 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 51.96 50.74 3hle s ALA 52 Cb 0.00 -1.13 0.36 0.00 0.00 0.00 0.00 23.12 22.34 3hle s ALA 52 CO 0.00 0.44 1.30 2.89 0.00 0.00 0.00 175.76 180.39 3hle n ARG 53 N -0.39 1.92 -3.64 0.00 1.85 -0.52 -3.11 116.66 112.78 3hle n ARG 53 Ca -0.09 -1.44 -0.04 0.00 -1.00 0.00 0.00 57.85 55.29 3hle n ARG 53 Cb 0.56 -1.31 -0.01 0.00 -1.05 0.00 0.00 32.46 30.64 3hle n ARG 53 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3hle s THR 54 N -1.47 0.00 -2.27 8.89 -1.32 -1.26 -0.70 115.64 117.51 3hle s THR 54 Ca 0.27 -0.32 0.20 0.00 -1.21 0.00 0.00 61.69 60.63 3hle s THR 54 Cb 0.14 -1.61 0.27 0.00 -1.51 0.00 0.00 72.50 69.79 3hle s THR 54 CO 0.18 0.00 1.22 1.33 -2.21 0.00 0.00 174.62 175.15 3hle n VAL 55 N -0.37 0.28 -3.45 5.08 0.24 -1.26 -4.86 118.33 113.99 3hle n VAL 55 Ca -0.07 -0.64 -0.37 0.00 -2.04 0.00 0.00 64.34 61.23 3hle n VAL 55 Cb 0.61 1.16 -0.07 0.00 -1.47 0.00 0.00 33.84 34.08 3hle n VAL 55 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3hle s ARG 56 N -1.48 4.29 0.32 7.34 0.52 -1.26 -4.97 118.95 123.71 3hle s ARG 56 Ca 0.28 0.24 -0.27 0.00 -0.52 0.00 0.00 55.73 55.46 3hle s ARG 56 Cb 0.18 -3.43 -0.09 0.00 0.52 0.00 0.00 34.95 32.13 3hle s ARG 56 CO 0.26 0.21 1.01 1.03 0.02 0.00 0.00 175.30 177.82 3hle s ARG 57 N 0.52 4.54 0.00 3.54 0.52 -1.26 -4.71 118.95 122.11 3hle s ARG 57 Ca 0.20 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 3hle s ARG 57 Cb -0.14 -2.92 0.00 0.00 0.52 0.00 0.00 34.95 32.42 3hle s ARG 57 CO 0.06 0.20 0.00 -0.40 0.02 0.00 0.00 175.30 175.19 3hle n ASP 58 N 0.72 0.00 0.31 0.23 3.85 0.37 -4.84 116.55 117.19 3hle n ASP 58 Ca 0.01 -0.93 0.21 0.00 -0.71 0.00 0.00 54.79 53.38 3hle n ASP 58 Cb 0.48 0.00 1.08 0.00 -1.35 0.00 0.00 41.12 41.33 3hle n ASP 58 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.20 177.24 3hle h GLU 59 N 0.00 0.00 -0.53 0.11 9.09 -1.96 -1.57 114.58 119.72 3hle h GLU 59 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hle h GLU 59 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3hle h GLU 59 CO 0.00 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.15 3hle n ASN 60 N -3.00 3.85 -1.01 3.06 3.02 -1.26 -4.95 115.26 114.96 3hle n ASN 60 Ca -0.02 -2.25 -0.11 0.00 -0.03 0.00 0.00 54.58 52.17 3hle n ASN 60 Cb 0.11 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 3hle n ASN 60 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hle n ASN 61 N 0.87 -4.05 -4.76 6.41 4.05 -0.59 -5.03 115.26 112.16 3hle n ASN 61 Ca 0.20 0.16 -0.22 0.00 0.45 0.00 0.00 54.58 55.17 3hle n ASN 61 Cb 0.67 -2.83 -0.05 0.00 1.23 0.00 0.00 39.78 38.79 3hle n ASN 61 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 3hle s GLN 62 N -3.58 2.56 -0.41 1.20 -1.52 -1.26 -4.77 119.66 111.88 3hle s GLN 62 Ca 0.00 -1.34 -0.13 0.00 -1.95 0.00 0.00 55.36 51.94 3hle s GLN 62 Cb 0.00 -2.33 0.04 0.00 -0.22 0.00 0.00 33.01 30.50 3hle s GLN 62 CO 0.00 0.24 0.28 -0.51 -0.25 0.00 0.00 175.29 175.05 3hle s LEU 63 N -3.84 5.08 0.53 2.90 1.43 -1.26 -0.48 118.68 123.05 3hle s LEU 63 Ca 0.36 -1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 52.17 3hle s LEU 63 Cb -0.05 -2.10 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 3hle s LEU 63 CO 0.23 -0.48 1.19 -2.16 0.23 0.00 0.00 176.35 175.36 3hle s PRO 64 N 1.60 3.34 0.46 1.29 0.04 -1.26 -4.83 135.00 135.65 3hle s PRO 64 Ca 0.04 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.65 3hle s PRO 64 Cb -0.20 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.12 3hle s PRO 64 CO 0.07 -0.90 1.07 -1.25 0.04 0.00 0.00 177.00 176.03 3hle s PRO 65 N -3.08 3.85 -0.21 0.56 0.04 -1.26 -1.44 135.00 133.46 3hle s PRO 65 Ca 0.71 1.48 -0.28 0.00 0.04 0.00 0.00 61.00 62.96 3hle s PRO 65 Cb -0.29 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3hle s PRO 65 CO 0.33 -0.41 0.98 -1.17 0.04 0.00 0.00 177.00 176.77 3hle s LEU 66 N -3.22 4.12 0.34 -3.56 2.96 -0.56 -4.18 118.68 114.59 3hle s LEU 66 Ca 0.65 1.32 0.09 0.00 -0.22 0.00 0.00 54.13 55.97 3hle s LEU 66 Cb -0.20 -3.46 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 3hle s LEU 66 CO 0.25 -0.59 -0.00 -1.10 -1.32 0.00 0.00 176.35 173.59 3hle s GLN 67 N 2.88 2.03 0.55 1.98 -0.21 -1.26 -4.42 119.66 121.22 3hle s GLN 67 Ca 0.43 -1.79 0.23 0.00 0.02 0.00 0.00 55.36 54.25 3hle s GLN 67 Cb -0.16 -1.88 1.55 0.00 1.00 0.00 0.00 33.01 33.52 3hle s GLN 67 CO 0.08 0.13 2.20 -0.24 -2.12 0.00 0.00 175.29 175.34 3hle h VAL 68 N 1.84 0.75 -0.55 1.09 3.04 -1.96 -1.60 116.25 118.86 3hle h VAL 68 Ca -0.43 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3hle h VAL 68 Cb 1.25 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3hle h VAL 68 CO 0.68 0.01 0.00 -0.90 -1.01 0.00 0.00 177.57 176.35 3hle n ASP 69 N -4.15 4.26 -4.69 3.17 3.85 -1.26 -1.37 116.55 116.36 3hle n ASP 69 Ca -0.03 -2.41 -0.42 0.00 -0.71 0.00 0.00 54.79 51.22 3hle n ASP 69 Cb 0.10 -0.50 -0.03 0.00 -1.35 0.00 0.00 41.12 39.33 3hle n ASP 69 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3hle s THR 70 N -1.76 3.85 0.02 2.12 2.01 -0.60 -4.77 115.64 116.51 3hle s THR 70 Ca 0.45 1.23 -0.30 0.00 0.31 0.00 0.00 61.69 63.38 3hle s THR 70 Cb 0.29 -3.79 -0.07 0.00 0.01 0.00 0.00 72.50 68.93 3hle s THR 70 CO 0.22 0.01 1.64 -2.84 -0.69 0.00 0.00 174.62 172.96 3hle s PRO 71 N 2.19 4.20 0.17 4.92 0.02 -1.26 -3.91 135.00 141.32 3hle s PRO 71 Ca 0.61 2.26 0.10 0.00 0.02 0.00 0.00 61.00 63.99 3hle s PRO 71 Cb -0.30 -3.75 -0.04 0.00 0.02 0.00 0.00 34.50 30.43 3hle s PRO 71 CO 0.26 -0.76 -0.22 0.00 -0.33 0.00 0.00 177.00 175.95 3hle s ARG 73 N -2.56 4.10 0.11 0.00 3.52 -1.26 -1.01 118.95 121.84 3hle s ARG 73 Ca 0.16 1.58 0.09 0.00 -0.13 0.00 0.00 55.73 57.43 3hle s ARG 73 Cb -0.08 -3.84 -0.18 0.00 -1.56 0.00 0.00 34.95 29.30 3hle s ARG 73 CO 0.08 -0.89 1.19 -0.07 -0.81 0.00 0.00 175.30 174.80 3hle h LEU 74 N 10.28 0.00 0.00 -0.88 3.38 -1.70 -3.46 115.31 122.93 3hle h LEU 74 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3hle h LEU 74 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hle h LEU 74 CO 0.99 0.92 0.00 0.00 0.09 0.00 0.00 178.44 180.44 3hle n ALA 75 N -2.37 0.00 0.27 1.53 0.00 -1.24 -1.82 120.51 116.88 3hle n ALA 75 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.45 3hle n ALA 75 Cb 0.93 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.55 3hle n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hle n ALA 76 N 8.65 1.36 0.26 0.00 0.00 -1.26 -0.76 120.51 128.76 3hle n ALA 76 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3hle n ALA 76 Cb 0.00 -1.13 0.52 0.00 0.00 0.00 0.00 19.45 18.84 3hle n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hle n ALA 77 N -1.51 1.32 0.26 0.00 0.00 -0.75 -1.25 120.51 118.58 3hle n ALA 77 Ca 0.02 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.69 3hle n ALA 77 Cb 0.09 -1.33 0.70 0.00 0.00 0.00 0.00 19.45 18.91 3hle n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hle h THR 78 N 0.00 0.87 -0.68 0.00 2.02 -1.13 -3.26 112.91 110.74 3hle h THR 78 Ca 0.00 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.07 3hle h THR 78 Cb 0.16 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3hle h THR 78 CO 0.00 0.03 0.45 0.11 0.37 0.00 0.00 175.52 176.48 3hle h LYS 79 N 0.00 0.89 -0.64 6.66 1.57 -1.31 -0.19 116.57 123.55 3hle h LYS 79 Ca -0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3hle h LYS 79 Cb 0.06 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 3hle h LYS 79 CO 0.00 0.59 0.39 1.25 -0.57 0.00 0.00 179.45 181.11 3hle h LEU 80 N 0.92 0.76 -0.29 2.94 5.85 -1.76 -0.14 115.31 123.59 3hle h LEU 80 Ca 0.25 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hle h LEU 80 Cb -0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3hle h LEU 80 CO -0.05 0.59 0.17 -0.07 -0.34 0.00 0.00 178.44 178.73 3hle h LEU 81 N 0.86 0.35 -0.76 2.25 3.38 -1.24 -1.58 115.31 118.57 3hle h LEU 81 Ca 0.23 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hle h LEU 81 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hle h LEU 81 CO -0.04 0.31 0.08 0.74 0.09 0.00 0.00 178.44 179.62 3hle h THR 82 N 0.36 1.26 -0.62 0.22 2.02 -1.11 -1.20 112.91 113.83 3hle h THR 82 Ca 0.10 -1.03 0.06 0.00 0.77 0.00 0.00 66.41 66.32 3hle h THR 82 Cb 0.03 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3hle h THR 82 CO -0.02 0.38 0.31 0.74 0.37 0.00 0.00 175.52 177.31 3hle h THR 83 N 0.95 0.92 -0.60 3.16 2.02 -0.86 -1.02 112.91 117.48 3hle h THR 83 Ca 0.19 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 3hle h THR 83 Cb 0.44 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3hle h THR 83 CO 0.01 0.11 0.35 0.40 0.37 0.00 0.00 175.52 176.76 3hle h ILE 84 N 0.58 1.18 -0.71 3.11 2.04 -0.81 -1.36 117.51 121.54 3hle h ILE 84 Ca 0.29 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hle h ILE 84 Cb 0.23 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3hle h ILE 84 CO -0.21 0.19 0.40 0.24 0.00 0.00 0.00 178.15 178.77 3hle h MET 85 N 0.81 0.99 -0.58 2.37 2.86 -0.68 -0.76 114.93 119.93 3hle h MET 85 Ca 0.21 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3hle h MET 85 Cb 0.00 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3hle h MET 85 CO -0.04 0.73 0.38 0.28 1.06 0.00 0.00 176.91 179.33 3hle h VAL 86 N 0.98 1.15 -0.20 -2.22 2.07 -0.98 -2.11 116.25 114.95 3hle h VAL 86 Ca 0.25 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3hle h VAL 86 Cb 0.03 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3hle h VAL 86 CO -0.04 0.15 -0.28 -0.07 0.02 0.00 0.00 177.57 177.35 3hle h LEU 87 N 0.79 0.39 -0.84 2.57 3.38 -0.70 -1.42 115.31 119.47 3hle h LEU 87 Ca 0.21 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hle h LEU 87 Cb -0.08 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3hle h LEU 87 CO -0.05 0.66 0.51 1.56 0.09 0.00 0.00 178.44 181.21 3hle h GLN 88 N 0.34 1.14 -0.93 1.13 4.20 -0.85 -0.34 115.11 119.80 3hle h GLN 88 Ca 0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hle h GLN 88 Cb 0.67 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3hle h GLN 88 CO 0.05 0.80 0.56 0.00 -0.67 0.00 0.00 178.83 179.57 3hle h MET 90 N 1.29 0.65 -0.46 0.00 1.85 -0.81 -0.63 114.93 116.81 3hle h MET 90 Ca 0.33 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 3hle h MET 90 Cb -0.05 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.85 3hle h MET 90 CO -0.06 0.58 0.24 0.93 -0.40 0.00 0.00 176.91 178.21 3hle h GLU 91 N 0.56 0.63 -0.32 0.39 5.08 -0.58 -2.09 114.58 118.26 3hle h GLU 91 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hle h GLU 91 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3hle h GLU 91 CO -0.01 0.47 0.00 0.54 -1.00 0.00 0.00 179.01 179.01 3hle n ARG 92 N -4.41 1.75 -1.20 2.33 1.74 -0.73 -4.91 116.66 111.22 3hle n ARG 92 Ca 0.04 -1.16 -0.07 0.00 -0.77 0.00 0.00 57.85 55.88 3hle n ARG 92 Cb 0.10 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3hle n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hle n GLY 93 N 1.02 0.90 0.11 -0.13 0.00 -0.79 -4.91 105.19 101.40 3hle n GLY 93 Ca 0.11 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 3hle n GLY 93 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hle h LEU 94 N 0.00 0.00 -7.68 0.99 3.38 -1.32 -3.48 115.31 107.20 3hle h LEU 94 Ca -0.14 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3hle h LEU 94 Cb 0.46 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 3hle h LEU 94 CO 0.20 0.63 -0.24 0.68 0.09 0.00 0.00 178.44 179.80 3hle s VAL 95 N -2.89 0.10 -0.04 1.22 -7.23 -1.22 -4.99 120.40 105.36 3hle s VAL 95 Ca 0.01 -0.97 0.06 0.00 -1.81 0.00 0.00 61.98 59.28 3hle s VAL 95 Cb 0.08 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.67 3hle s VAL 95 CO 0.78 -0.47 -0.23 -0.62 -0.31 0.00 0.00 175.10 174.25 3hle s ASP 96 N -2.85 3.28 0.41 4.85 -1.08 -1.26 -4.29 116.67 115.72 3hle s ASP 96 Ca 0.06 -0.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.82 3hle s ASP 96 Cb 0.03 -0.60 0.89 0.00 -1.46 0.00 0.00 42.92 41.78 3hle s ASP 96 CO -0.10 0.30 1.90 -0.07 0.52 0.00 0.00 175.17 177.72 3hle h LEU 97 N 5.64 0.00 -2.38 -1.34 3.38 -1.97 -2.72 115.31 115.92 3hle h LEU 97 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3hle h LEU 97 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3hle h LEU 97 CO 0.48 0.29 0.00 0.47 0.09 0.00 0.00 178.44 179.77 3hle n ASP 98 N -4.05 3.50 -4.78 -0.43 10.43 -1.26 -0.97 116.55 119.00 3hle n ASP 98 Ca -0.02 -1.98 -0.37 0.00 2.57 0.00 0.00 54.79 54.98 3hle n ASP 98 Cb 0.35 -0.35 -0.04 0.00 1.84 0.00 0.00 41.12 42.91 3hle n ASP 98 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3hle s GLU 99 N -1.29 4.30 0.64 -1.24 2.12 -1.03 -4.87 118.70 117.33 3hle s GLU 99 Ca 0.42 1.56 -0.16 0.00 0.36 0.00 0.00 54.97 57.16 3hle s GLU 99 Cb 0.23 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.90 3hle s GLU 99 CO 0.31 -0.03 1.13 0.95 -0.54 0.00 0.00 175.26 177.09 3hle s THR 100 N -1.54 3.07 -1.48 -1.70 -4.23 -1.26 -2.84 115.64 105.66 3hle s THR 100 Ca 0.54 0.54 0.30 0.00 -1.18 0.00 0.00 61.69 61.90 3hle s THR 100 Cb -0.24 -3.09 0.56 0.00 1.34 0.00 0.00 72.50 71.07 3hle s THR 100 CO 0.30 -0.26 2.07 1.33 -0.54 0.00 0.00 174.62 177.52 3hle n VAL 101 N -2.17 0.00 -0.36 2.29 0.24 -0.02 -4.19 118.33 114.13 3hle n VAL 101 Ca 0.11 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.44 3hle n VAL 101 Cb 0.51 -0.50 0.19 0.00 -1.47 0.00 0.00 33.84 32.57 3hle n VAL 101 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hle h ASP 102 N 0.00 1.01 0.13 -1.34 5.19 -1.82 0.66 116.42 120.25 3hle h ASP 102 Ca 0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 3hle h ASP 102 Cb 0.26 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3hle h ASP 102 CO 0.00 0.64 -0.06 -0.09 -3.12 0.00 0.00 179.24 176.61 3hle h ARG 103 N 1.14 -0.17 0.00 3.56 2.43 -2.00 -2.75 114.38 116.59 3hle h ARG 103 Ca 0.43 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.49 3hle h ARG 103 Cb 0.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3hle h ARG 103 CO -0.17 -0.08 -1.55 1.28 -1.51 0.00 0.00 179.97 177.94 3hle n LEU 104 N -5.15 0.58 -3.08 3.80 4.77 -1.05 -4.54 117.00 112.33 3hle n LEU 104 Ca -0.08 0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 3hle n LEU 104 Cb 0.11 0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3hle n LEU 104 CO 0.34 0.08 0.00 0.18 -1.33 0.00 0.00 177.39 176.66 3hle n LEU 105 N -2.69 3.09 0.26 2.23 4.77 0.23 -4.88 117.00 120.00 3hle n LEU 105 Ca -0.09 -5.40 0.13 0.00 -0.03 0.00 0.00 56.01 50.62 3hle n LEU 105 Cb 0.75 -0.13 0.70 0.00 -2.33 0.00 0.00 43.42 42.42 3hle n LEU 105 CO 0.43 2.29 0.96 1.55 -1.33 0.00 0.00 177.39 181.28 3hle h PRO 106 N 3.18 0.00 -0.15 3.23 0.13 -1.63 -0.83 132.00 135.93 3hle h PRO 106 Ca 0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.16 3hle h PRO 106 Cb 0.68 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3hle h PRO 106 CO 0.71 0.12 -0.34 0.38 -0.23 0.00 0.00 178.00 178.64 3hle h ASP 107 N 0.00 0.31 -0.01 1.44 2.03 -1.89 -1.62 116.42 116.68 3hle h ASP 107 Ca -0.00 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 56.08 3hle h ASP 107 Cb 0.40 -0.08 0.01 0.00 -0.83 0.00 0.00 39.33 38.83 3hle h ASP 107 CO 0.02 0.64 -0.41 0.25 -1.03 0.00 0.00 179.24 178.71 3hle h LEU 108 N 0.26 0.37 -1.66 0.15 5.85 -1.65 -3.32 115.31 115.30 3hle h LEU 108 Ca 0.03 -0.76 0.07 0.00 0.84 0.00 0.00 57.88 58.06 3hle h LEU 108 Cb 0.73 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3hle h LEU 108 CO 0.06 1.08 0.34 0.28 -0.34 0.00 0.00 178.44 179.86 3hle h SER 109 N -0.31 0.36 0.97 1.25 0.02 -1.11 -0.93 113.55 113.81 3hle h SER 109 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3hle h SER 109 Cb 1.14 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.60 3hle h SER 109 CO 0.08 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 3hle n ALA 110 N -2.51 2.02 -1.83 3.77 0.00 -0.62 -4.87 120.51 116.47 3hle n ALA 110 Ca 0.07 -0.02 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 3hle n ALA 110 Cb 0.28 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3hle n ALA 110 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3hle s MET 111 N -3.10 4.73 0.81 0.00 1.00 -0.36 -5.04 119.30 117.34 3hle s MET 111 Ca 0.09 1.64 -0.10 0.00 0.00 0.00 0.00 55.69 57.32 3hle s MET 111 Cb 0.13 -3.25 0.11 0.00 0.00 0.00 0.00 34.83 31.82 3hle s MET 111 CO 0.46 0.32 1.15 -1.25 0.00 0.00 0.00 175.02 175.71 3hle s PRO 112 N -1.10 1.66 -0.21 2.03 0.04 -1.26 -4.68 135.00 131.48 3hle s PRO 112 Ca 0.44 -0.24 -0.10 0.00 0.04 0.00 0.00 61.00 61.14 3hle s PRO 112 Cb -0.29 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 3hle s PRO 112 CO 0.36 -1.69 0.13 0.08 0.04 0.00 0.00 177.00 175.91 3hle s VAL 113 N -3.52 5.24 -0.51 -0.36 1.01 0.68 -2.40 120.40 120.53 3hle s VAL 113 Ca 0.65 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.50 3hle s VAL 113 Cb -0.09 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.92 3hle s VAL 113 CO 0.48 0.41 1.03 -0.22 0.00 0.00 0.00 175.10 176.80 3hle s LEU 114 N 0.64 3.83 0.06 3.92 2.96 0.12 -1.34 118.68 128.86 3hle s LEU 114 Ca 0.07 0.08 0.15 0.00 -0.22 0.00 0.00 54.13 54.20 3hle s LEU 114 Cb -0.12 -3.18 -0.15 0.00 0.50 0.00 0.00 46.19 43.24 3hle s LEU 114 CO 0.01 -1.23 0.87 -0.08 -1.32 0.00 0.00 176.35 174.59 3hle h GLU 115 N 9.27 0.00 0.00 1.98 4.81 -1.48 -3.42 114.58 125.74 3hle h GLU 115 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3hle h GLU 115 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3hle h GLU 115 CO 1.10 0.41 0.00 0.41 -0.73 0.00 0.00 179.01 180.20 3hle n GLY 116 N 1.42 -0.31 2.88 1.92 0.00 -1.21 -5.03 105.19 104.86 3hle n GLY 116 Ca -0.10 -1.11 -0.18 0.00 0.00 0.00 0.00 46.02 44.62 3hle n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hle s PHE 117 N -3.32 0.59 1.22 1.61 0.08 -1.26 -0.38 117.98 116.52 3hle s PHE 117 Ca 0.00 -0.13 -0.19 0.00 0.12 0.00 0.00 56.93 56.73 3hle s PHE 117 Cb 0.00 -0.54 0.29 0.00 -0.57 0.00 0.00 43.02 42.20 3hle s PHE 117 CO 0.00 -0.15 1.09 0.16 -0.10 0.00 0.00 175.22 176.23 3hle s ASP 118 N 0.79 0.77 0.49 1.36 1.47 -1.10 -4.84 116.67 115.60 3hle s ASP 118 Ca -0.10 0.67 0.25 0.00 1.18 0.00 0.00 52.55 54.56 3hle s ASP 118 Cb -0.13 -0.94 1.26 0.00 -0.34 0.00 0.00 42.92 42.77 3hle s ASP 118 CO -0.00 -4.22 1.99 0.44 0.68 0.00 0.00 175.17 174.06 3hle h ASP 119 N -2.65 0.00 0.25 2.11 3.32 -2.02 -1.37 116.42 116.06 3hle h ASP 119 Ca -0.45 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 3hle h ASP 119 Cb 1.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.85 3hle h ASP 119 CO 0.34 0.17 -0.12 0.00 -1.72 0.00 0.00 179.24 177.91 3hle h ALA 120 N 1.83 1.45 0.00 3.45 0.00 -2.05 -3.47 119.26 120.48 3hle h ALA 120 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hle h ALA 120 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hle h ALA 120 CO 0.02 0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.83 3hle n GLY 121 N -0.90 0.50 3.88 0.00 0.00 -0.52 -5.09 105.19 103.07 3hle n GLY 121 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3hle n GLY 121 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hle s ASN 122 N -2.42 6.51 0.27 1.61 0.01 -1.26 -4.81 114.94 114.84 3hle s ASN 122 Ca 0.00 1.02 -0.30 0.00 -0.71 0.00 0.00 52.86 52.87 3hle s ASN 122 Cb 0.00 -2.27 -0.10 0.00 0.41 0.00 0.00 41.25 39.29 3hle s ASN 122 CO 0.00 -0.33 1.41 0.00 -1.51 0.00 0.00 177.10 176.66 3hle s ALA 123 N -2.27 3.59 -0.45 0.60 0.00 -1.26 -2.71 121.76 119.26 3hle s ALA 123 Ca 0.49 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.68 3hle s ALA 123 Cb -0.10 -3.54 0.11 0.00 0.00 0.00 0.00 23.12 19.58 3hle s ALA 123 CO 0.30 -0.73 0.30 0.50 0.00 0.00 0.00 175.76 176.14 3hle s ARG 124 N -0.78 2.44 0.08 0.00 3.52 0.49 -4.91 118.95 119.80 3hle s ARG 124 Ca 0.56 -1.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.50 3hle s ARG 124 Cb -0.41 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.11 3hle s ARG 124 CO 0.46 -1.11 0.12 -0.51 -0.81 0.00 0.00 175.30 173.46 3hle s LEU 125 N 1.35 3.98 0.22 -0.88 1.43 -1.26 -1.24 118.68 122.27 3hle s LEU 125 Ca 0.05 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 3hle s LEU 125 Cb -0.25 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 3hle s LEU 125 CO -0.01 0.17 0.37 0.00 0.23 0.00 0.00 176.35 177.11 3hle s ARG 126 N -2.45 1.39 0.33 1.70 1.70 -0.45 -4.94 118.95 116.23 3hle s ARG 126 Ca 0.31 -1.30 -0.27 0.00 -0.47 0.00 0.00 55.73 54.00 3hle s ARG 126 Cb -0.12 0.41 -0.09 0.00 -0.57 0.00 0.00 34.95 34.57 3hle s ARG 126 CO 0.24 -0.54 1.10 -2.00 -1.08 0.00 0.00 175.30 173.01 3hle s GLU 127 N -4.03 4.44 0.45 3.89 2.12 -1.26 -0.23 118.70 124.07 3hle s GLU 127 Ca 0.24 1.73 -0.25 0.00 0.36 0.00 0.00 54.97 57.06 3hle s GLU 127 Cb 0.02 -2.95 -0.08 0.00 0.26 0.00 0.00 34.13 31.38 3hle s GLU 127 CO 0.07 0.05 1.31 0.50 -0.54 0.00 0.00 175.26 176.65 3hle s ARG 128 N -1.84 3.74 -0.26 4.30 3.52 -1.26 -4.75 118.95 122.40 3hle s ARG 128 Ca 0.50 2.15 -0.09 0.00 -0.13 0.00 0.00 55.73 58.16 3hle s ARG 128 Cb -0.29 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.46 3hle s ARG 128 CO 0.37 -0.68 0.12 1.03 -0.81 0.00 0.00 175.30 175.33 3hle s ARG 129 N -2.46 3.78 0.00 5.12 0.52 -1.26 -4.97 118.95 119.68 3hle s ARG 129 Ca 0.61 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 55.41 3hle s ARG 129 Cb -0.38 -3.46 0.00 0.00 0.52 0.00 0.00 34.95 31.63 3hle s ARG 129 CO 0.48 -0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.04 3hle n GLY 130 N 4.94 -0.87 3.74 -3.53 0.00 -1.26 -4.33 105.19 103.88 3hle n GLY 130 Ca -0.15 -1.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 3hle n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hle s LYS 131 N -2.33 2.95 0.02 1.61 -0.14 -1.26 -4.80 119.74 115.78 3hle s LYS 131 Ca 0.00 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 53.77 3hle s LYS 131 Cb 0.00 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 3hle s LYS 131 CO 0.00 0.63 1.02 0.42 -0.76 0.00 0.00 175.35 176.67 3hle s ILE 132 N -1.16 4.67 0.36 2.17 1.01 -1.26 -4.84 121.20 122.15 3hle s ILE 132 Ca 0.22 1.94 0.07 0.00 0.00 0.00 0.00 60.65 62.89 3hle s ILE 132 Cb -0.12 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 3hle s ILE 132 CO 0.13 0.17 0.34 0.42 0.00 0.00 0.00 174.94 175.99 3hle s THR 133 N 0.91 3.26 0.36 2.92 -4.23 -1.26 -0.84 115.64 116.76 3hle s THR 133 Ca 0.53 -1.33 0.05 0.00 -1.18 0.00 0.00 61.69 59.76 3hle s THR 133 Cb -0.23 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.76 3hle s THR 133 CO 0.29 -0.11 1.99 0.25 -0.54 0.00 0.00 174.62 176.49 3hle h LEU 134 N 1.14 0.67 -1.10 4.79 5.85 -1.42 -2.05 115.31 123.19 3hle h LEU 134 Ca -0.43 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 3hle h LEU 134 Cb 1.26 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3hle h LEU 134 CO 0.57 0.46 -0.43 -0.09 -0.34 0.00 0.00 178.44 178.61 3hle h ARG 135 N 0.77 0.04 -0.79 1.25 2.43 -1.37 -1.70 114.38 115.02 3hle h ARG 135 Ca 0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3hle h ARG 135 Cb 0.11 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3hle h ARG 135 CO -0.08 0.47 0.48 0.45 -1.51 0.00 0.00 179.97 179.78 3hle h HIS 136 N 0.04 1.03 -0.31 2.20 3.86 -1.66 -2.18 115.15 118.14 3hle h HIS 136 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3hle h HIS 136 Cb 0.78 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 3hle h HIS 136 CO 0.00 0.69 0.02 -0.07 0.86 0.00 0.00 177.93 179.43 3hle h LEU 137 N 1.08 0.51 -1.62 2.43 3.38 -1.15 -0.35 115.31 119.59 3hle h LEU 137 Ca 0.28 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hle h LEU 137 Cb -0.05 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hle h LEU 137 CO -0.05 0.67 -0.13 -0.07 0.09 0.00 0.00 178.44 178.95 3hle h LEU 138 N 0.34 0.00 -2.28 1.67 3.38 -1.23 -3.03 115.31 114.16 3hle h LEU 138 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hle h LEU 138 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hle h LEU 138 CO 0.01 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.02 3hle n THR 139 N -3.41 0.53 -3.70 0.22 -2.24 -0.83 -4.18 114.28 100.68 3hle n THR 139 Ca -0.01 -0.77 -0.24 0.00 -2.27 0.00 0.00 64.05 60.77 3hle n THR 139 Cb 0.31 0.90 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 3hle n THR 139 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hle n HIS 140 N 1.02 -2.29 -1.24 4.78 8.25 -0.81 -4.85 115.22 120.08 3hle n HIS 140 Ca 0.14 0.92 0.08 0.00 -0.26 0.00 0.00 57.72 58.60 3hle n HIS 140 Cb 0.48 -4.52 0.13 0.00 1.12 0.00 0.00 29.99 27.19 3hle n HIS 140 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3hle n THR 141 N -4.54 1.65 0.22 1.59 -2.24 -0.21 -0.89 114.28 109.87 3hle n THR 141 Ca -0.13 -2.04 0.12 0.00 -2.27 0.00 0.00 64.05 59.74 3hle n THR 141 Cb 0.60 -0.13 0.18 0.00 -2.10 0.00 0.00 70.33 68.89 3hle n THR 141 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hle h SER 142 N 0.08 0.00 0.00 3.42 4.64 -1.80 0.28 113.55 120.16 3hle h SER 142 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hle h SER 142 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3hle h SER 142 CO 0.00 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3hle n GLY 143 N 1.06 0.30 3.79 -0.77 0.00 -1.26 -3.09 105.19 105.22 3hle n GLY 143 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3hle n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hle s LEU 144 N 0.00 4.19 0.00 0.99 1.43 -1.26 -0.68 118.68 123.34 3hle s LEU 144 Ca 0.00 1.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 3hle s LEU 144 Cb 0.00 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.04 3hle s LEU 144 CO 0.00 -0.27 0.00 -0.24 0.23 0.00 0.00 176.35 176.07 3hle n SER 145 N 0.10 1.06 -4.43 2.29 2.88 -1.26 -4.07 113.62 110.18 3hle n SER 145 Ca 0.04 -0.62 -0.31 0.00 -1.33 0.00 0.00 58.87 56.65 3hle n SER 145 Cb 0.51 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.84 3hle n SER 145 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hle s TYR 146 N -0.89 2.52 0.21 0.66 2.02 -1.23 -3.09 117.35 117.56 3hle s TYR 146 Ca 0.00 -0.28 -0.09 0.00 -0.37 0.00 0.00 57.07 56.32 3hle s TYR 146 Cb 0.00 -1.47 0.17 0.00 -0.40 0.00 0.00 41.96 40.26 3hle s TYR 146 CO 0.00 0.21 1.87 0.28 -1.57 0.00 0.00 175.55 176.34 3hle h VAL 147 N 4.06 1.22 0.00 0.71 2.07 -1.93 -2.11 116.25 120.27 3hle h VAL 147 Ca -0.47 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3hle h VAL 147 Cb 1.15 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hle h VAL 147 CO 0.47 0.22 0.00 2.22 0.02 0.00 0.00 177.57 180.50 3hle n PHE 148 N -4.49 0.00 -0.04 1.57 1.16 -1.26 -3.47 117.46 110.93 3hle n PHE 148 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.61 3hle n PHE 148 Cb 0.04 -0.25 -0.06 0.00 -1.61 0.00 0.00 39.48 37.60 3hle n PHE 148 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 3hle n LEU 149 N -1.25 0.47 -4.60 5.98 4.77 -0.82 -5.03 117.00 116.52 3hle n LEU 149 Ca 0.08 -0.01 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 3hle n LEU 149 Cb 0.12 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.22 3hle n LEU 149 CO 0.12 0.27 -0.29 -2.28 -1.33 0.00 0.00 177.39 173.89 3hle s HIS 150 N -2.20 3.18 0.21 -1.77 2.46 -1.04 -5.01 115.29 111.13 3hle s HIS 150 Ca -0.06 -0.02 -0.07 0.00 0.47 0.00 0.00 55.06 55.38 3hle s HIS 150 Cb 0.03 -2.00 0.16 0.00 -0.13 0.00 0.00 32.58 30.63 3hle s HIS 150 CO 0.32 0.15 1.77 -1.00 -2.47 0.00 0.00 174.74 173.50 3hle h PRO 151 N 6.48 1.18 -0.51 2.88 0.13 -1.92 -0.18 132.00 140.05 3hle h PRO 151 Ca -0.37 -0.23 0.04 0.00 -0.87 0.00 0.00 66.00 64.57 3hle h PRO 151 Cb 1.18 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.08 3hle h PRO 151 CO 0.66 0.97 0.27 -0.07 -0.23 0.00 0.00 178.00 179.60 3hle h LEU 152 N 1.14 0.41 -0.69 1.56 3.38 -1.95 -0.47 115.31 118.69 3hle h LEU 152 Ca 0.26 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.13 3hle h LEU 152 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hle h LEU 152 CO -0.02 0.28 -0.26 -0.07 0.09 0.00 0.00 178.44 178.47 3hle h LEU 153 N 0.54 0.75 -0.84 1.67 3.38 -1.77 0.17 115.31 119.20 3hle h LEU 153 Ca 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hle h LEU 153 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3hle h LEU 153 CO -0.14 0.98 0.53 0.03 0.09 0.00 0.00 178.44 179.92 3hle h ARG 154 N 0.63 1.13 -0.18 1.13 3.08 -0.60 -0.86 114.38 118.72 3hle h ARG 154 Ca 0.08 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3hle h ARG 154 Cb 0.77 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3hle h ARG 154 CO 0.06 0.78 -0.40 1.49 -1.07 0.00 0.00 179.97 180.84 3hle h GLU 155 N 1.15 0.40 -0.28 0.04 4.81 -0.89 -1.48 114.58 118.33 3hle h GLU 155 Ca 0.30 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3hle h GLU 155 Cb -0.08 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3hle h GLU 155 CO -0.06 0.74 0.13 -0.92 -0.73 0.00 0.00 179.01 178.17 3hle h TYR 156 N 0.34 0.24 -0.36 0.92 5.03 -0.23 -0.64 116.97 122.26 3hle h TYR 156 Ca 0.03 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.30 3hle h TYR 156 Cb 0.85 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 3hle h TYR 156 CO 0.02 0.13 0.02 1.98 -1.32 0.00 0.00 178.16 178.99 3hle h MET 157 N 0.28 0.63 -0.96 1.82 4.05 -1.11 -3.04 114.93 116.60 3hle h MET 157 Ca 0.12 -0.19 0.13 0.00 -0.28 0.00 0.00 59.70 59.48 3hle h MET 157 Cb 0.05 -0.06 -0.09 0.00 -0.80 0.00 0.00 31.60 30.70 3hle h MET 157 CO -0.09 0.73 0.58 0.00 0.23 0.00 0.00 176.91 178.36 3hle h ALA 158 N 0.88 1.45 0.00 0.39 0.00 -0.95 0.12 119.26 121.15 3hle h ALA 158 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hle h ALA 158 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hle h ALA 158 CO 0.02 0.14 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3hle n GLN 159 N -4.69 0.00 -1.38 0.00 1.13 -0.28 -4.91 117.38 107.26 3hle n GLN 159 Ca 0.18 0.19 0.00 0.00 -1.94 0.00 0.00 57.00 55.43 3hle n GLN 159 Cb 0.38 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.23 3hle n GLN 159 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hle n GLY 160 N 0.37 0.48 0.00 1.08 0.00 0.41 -5.01 105.19 102.53 3hle n GLY 160 Ca 0.04 -0.34 0.09 0.00 0.00 0.00 0.00 46.02 45.81 3hle n GLY 160 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hle n TYR 161 N -0.71 0.00 -2.97 1.61 4.01 -1.16 -4.75 117.16 113.19 3hle n TYR 161 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.53 3hle n TYR 161 Cb 0.35 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.21 3hle n TYR 161 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hle n LEU 162 N -1.66 2.60 -0.07 7.72 4.77 -1.26 -4.82 117.00 124.27 3hle n LEU 162 Ca 0.01 -5.13 -0.09 0.00 -0.03 0.00 0.00 56.01 50.77 3hle n LEU 162 Cb 0.34 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 41.46 3hle n LEU 162 CO 0.37 2.23 -0.97 0.00 -1.33 0.00 0.00 177.39 177.68 3hle n GLN 163 N -0.02 1.04 0.03 3.23 0.00 -1.26 -4.61 117.38 115.78 3hle n GLN 163 Ca 0.27 0.05 0.13 0.00 0.00 0.00 0.00 57.00 57.45 3hle n GLN 163 Cb 0.58 -1.32 0.54 0.00 0.00 0.00 0.00 30.24 30.04 3hle n GLN 163 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3hle n SER 164 N -2.76 0.21 0.04 2.61 3.41 -1.26 -4.08 113.62 111.79 3hle n SER 164 Ca -0.25 0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 58.68 3hle n SER 164 Cb 0.84 -0.58 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 3hle n SER 164 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hle h ALA 165 N 2.82 0.13 -2.33 7.33 0.00 -1.93 -3.47 119.26 121.80 3hle h ALA 165 Ca 0.00 -0.70 -0.52 0.00 0.00 0.00 0.00 54.91 53.69 3hle h ALA 165 Cb 0.52 0.06 0.14 0.00 0.00 0.00 0.00 17.79 18.51 3hle h ALA 165 CO 0.00 0.69 0.32 -1.83 0.00 0.00 0.00 179.25 178.43 3hle s GLU 166 N -3.31 2.19 -0.16 0.00 -1.05 -1.26 -4.24 118.70 110.87 3hle s GLU 166 Ca -0.10 1.24 -0.07 0.00 -0.15 0.00 0.00 54.97 55.90 3hle s GLU 166 Cb 0.07 -1.88 0.07 0.00 -0.44 0.00 0.00 34.13 31.94 3hle s GLU 166 CO 0.92 -1.71 0.35 0.15 0.95 0.00 0.00 175.26 175.93 3hle s LYS 167 N -4.77 0.29 -1.79 -4.83 3.01 -0.89 -4.91 119.74 105.85 3hle s LYS 167 Ca 0.63 0.80 0.00 0.00 -1.01 0.00 0.00 55.97 56.38 3hle s LYS 167 Cb -0.18 0.05 0.00 0.00 -1.01 0.00 0.00 37.83 36.68 3hle s LYS 167 CO 0.54 -0.21 0.00 1.19 0.51 0.00 0.00 175.35 177.39 3hle n PHE 168 N 4.76 -0.66 -0.28 3.18 3.72 -1.26 -2.77 117.46 124.15 3hle n PHE 168 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3hle n PHE 168 Cb 0.52 -3.65 0.00 0.00 -0.94 0.00 0.00 39.48 35.41 3hle n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hle n GLY 169 N -0.89 1.22 3.75 1.37 0.00 -1.26 -4.97 105.19 104.41 3hle n GLY 169 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3hle n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hle s ILE 170 N -2.83 5.40 0.33 -0.61 1.01 -1.11 -4.94 121.20 118.45 3hle s ILE 170 Ca 0.00 0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.63 3hle s ILE 170 Cb 0.00 -3.49 -0.10 0.00 0.01 0.00 0.00 42.46 38.89 3hle s ILE 170 CO 0.00 0.46 1.21 -1.58 0.00 0.00 0.00 174.94 175.03 3hle s GLN 171 N 0.17 4.36 -0.44 2.79 0.74 -1.26 -2.10 119.66 123.92 3hle s GLN 171 Ca 0.10 2.00 -0.27 0.00 0.05 0.00 0.00 55.36 57.25 3hle s GLN 171 Cb -0.12 -3.01 -0.04 0.00 1.10 0.00 0.00 33.01 30.95 3hle s GLN 171 CO -0.00 -0.10 2.10 0.45 -0.55 0.00 0.00 175.29 177.18 3hle s SER 172 N -0.76 5.15 0.01 6.67 0.15 -1.26 -4.85 113.70 118.80 3hle s SER 172 Ca 0.50 1.07 0.11 0.00 0.70 0.00 0.00 55.95 58.33 3hle s SER 172 Cb -0.35 -2.52 0.46 0.00 -1.71 0.00 0.00 66.02 61.91 3hle s SER 172 CO 0.46 -2.34 1.35 0.54 1.20 0.00 0.00 173.24 174.45 3hle n ARG 173 N 8.89 0.00 -0.00 5.44 5.12 -1.26 -3.46 116.66 131.39 3hle n ARG 173 Ca 0.28 0.32 0.08 0.00 -1.93 0.00 0.00 57.85 56.61 3hle n ARG 173 Cb 0.51 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.19 3hle n ARG 173 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hle n LEU 174 N -1.52 0.65 0.03 0.55 4.77 -1.26 -4.69 117.00 115.54 3hle n LEU 174 Ca 0.03 -0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 55.41 3hle n LEU 174 Cb 0.13 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 3hle n LEU 174 CO 0.10 0.16 0.12 0.00 -1.33 0.00 0.00 177.39 176.45 3hle h ALA 175 N 2.29 0.11 -3.06 -1.18 0.00 -1.99 -3.47 119.26 111.96 3hle h ALA 175 Ca 0.00 -0.66 -0.56 0.00 0.00 0.00 0.00 54.91 53.69 3hle h ALA 175 Cb 0.49 0.05 0.15 0.00 0.00 0.00 0.00 17.79 18.48 3hle h ALA 175 CO 0.00 0.59 0.56 -2.30 0.00 0.00 0.00 179.25 178.11 3hle n PRO 176 N -3.96 1.46 -1.41 0.00 -0.02 -1.26 -4.99 135.00 124.81 3hle n PRO 176 Ca -0.11 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.62 3hle n PRO 176 Cb 0.83 -2.56 0.12 0.00 -0.02 0.00 0.00 33.50 31.87 3hle n PRO 176 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hle s PRO 177 N -3.08 1.60 0.70 0.52 0.04 -1.26 -5.03 135.00 128.48 3hle s PRO 177 Ca 0.76 0.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3hle s PRO 177 Cb -0.40 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.28 3hle s PRO 177 CO 0.46 -1.96 1.06 0.00 0.04 0.00 0.00 177.00 176.59 3hle s ALA 178 N -3.09 2.69 -0.89 8.56 0.00 -1.01 -4.76 121.76 123.25 3hle s ALA 178 Ca 0.62 0.08 0.07 0.00 0.00 0.00 0.00 51.96 52.73 3hle s ALA 178 Cb -0.16 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 19.85 3hle s ALA 178 CO 0.55 -1.22 0.73 1.33 0.00 0.00 0.00 175.76 177.15 3hle n VAL 179 N -3.13 0.01 -3.88 0.00 0.24 0.14 0.10 118.33 111.81 3hle n VAL 179 Ca 0.07 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.78 3hle n VAL 179 Cb 0.54 1.15 -0.00 0.00 -1.47 0.00 0.00 33.84 34.05 3hle n VAL 179 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hle s ASN 180 N -0.60 0.04 0.43 -1.34 3.84 -1.11 -4.83 114.94 111.37 3hle s ASN 180 Ca 0.08 -1.02 -0.12 0.00 0.21 0.00 0.00 52.86 52.02 3hle s ASN 180 Cb 0.06 0.77 -0.07 0.00 -0.55 0.00 0.00 41.25 41.46 3hle s ASN 180 CO 0.09 -1.49 0.82 -1.81 -2.79 0.00 0.00 177.10 171.92 3hle s ASP 181 N -3.04 6.55 0.44 -4.21 1.01 -1.26 -4.31 116.67 111.84 3hle s ASP 181 Ca 0.17 1.24 -0.26 0.00 0.71 0.00 0.00 52.55 54.41 3hle s ASP 181 Cb -0.04 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.43 3hle s ASP 181 CO 0.11 -0.44 1.41 -2.16 0.21 0.00 0.00 175.17 174.30 3hle s PRO 182 N -3.89 3.78 0.00 8.23 0.04 -1.18 -2.25 135.00 139.73 3hle s PRO 182 Ca 0.53 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.95 3hle s PRO 182 Cb -0.10 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.73 3hle s PRO 182 CO 0.31 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 177.03 3hle n GLY 183 N 0.59 2.66 0.14 0.56 0.00 0.97 -4.90 105.19 105.20 3hle n GLY 183 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3hle n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hle h ALA 184 N 0.00 0.10 -2.73 4.61 0.00 -1.65 -3.48 119.26 116.11 3hle h ALA 184 Ca 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3hle h ALA 184 Cb 0.00 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.67 3hle h ALA 184 CO 0.00 0.31 0.07 -1.83 0.00 0.00 0.00 179.25 177.80 3hle s GLU 185 N -3.34 1.13 -0.10 0.00 -1.05 -1.26 -4.92 118.70 109.15 3hle s GLU 185 Ca -0.14 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 3hle s GLU 185 Cb 0.04 0.51 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 3hle s GLU 185 CO 0.81 -0.45 1.25 -0.46 0.95 0.00 0.00 175.26 177.35 3hle s TRP 186 N -3.26 2.99 -0.05 4.83 -0.00 -1.26 -4.40 118.94 117.78 3hle s TRP 186 Ca -0.01 1.08 -0.02 0.00 -0.00 0.00 0.00 56.10 57.15 3hle s TRP 186 Cb 0.00 -3.48 0.04 0.00 -0.00 0.00 0.00 33.47 30.03 3hle s TRP 186 CO -0.08 -1.59 0.09 0.42 -0.00 0.00 0.00 176.95 175.79 3hle s ILE 187 N 2.86 -0.15 -0.02 5.86 1.01 -0.07 -4.91 121.20 125.77 3hle s ILE 187 Ca 0.56 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 61.28 3hle s ILE 187 Cb -0.24 -0.19 -0.07 0.00 0.01 0.00 0.00 42.46 41.97 3hle s ILE 187 CO 0.19 0.16 1.84 -0.47 0.00 0.00 0.00 174.94 176.65 3hle s TYR 188 N 2.04 1.59 0.00 3.97 5.04 -1.26 -4.62 117.35 124.11 3hle s TYR 188 Ca 0.02 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 3hle s TYR 188 Cb -0.12 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 38.10 3hle s TYR 188 CO -0.04 -4.70 0.00 0.41 -1.34 0.00 0.00 175.55 169.88 3hle n GLY 189 N 4.44 2.90 0.66 8.97 0.00 -1.26 -3.47 105.19 117.43 3hle n GLY 189 Ca 0.19 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 45.00 3hle n GLY 189 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hle n THR 190 N 0.00 0.30 -0.36 2.61 -2.24 -1.18 -4.42 114.28 109.00 3hle n THR 190 Ca 0.00 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.88 3hle n THR 190 Cb 0.00 -0.64 0.28 0.00 -2.10 0.00 0.00 70.33 67.87 3hle n THR 190 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hle h ASN 191 N 0.04 0.86 1.85 3.42 2.35 -1.90 -1.92 115.58 120.28 3hle h ASN 191 Ca 0.00 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3hle h ASN 191 Cb 0.64 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.91 3hle h ASN 191 CO 0.00 0.39 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.95 3hle h LEU 192 N 0.89 0.00 -0.42 1.61 -0.00 -1.80 -0.43 115.31 115.15 3hle h LEU 192 Ca 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.39 3hle h LEU 192 Cb 0.68 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.32 3hle h LEU 192 CO -0.32 0.12 0.19 0.44 -0.00 0.00 0.00 178.44 178.88 3hle h ASP 193 N 0.00 0.57 -0.48 -0.43 3.45 -1.60 -0.59 116.42 117.34 3hle h ASP 193 Ca -0.00 -0.15 -0.13 0.00 0.43 0.00 0.00 57.03 57.18 3hle h ASP 193 Cb 1.09 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 3hle h ASP 193 CO 0.02 0.56 -0.22 -0.50 -1.57 0.00 0.00 179.24 177.52 3hle h TRP 194 N 0.54 1.15 -0.57 4.55 4.06 -1.36 -2.61 115.95 121.70 3hle h TRP 194 Ca 0.14 -0.28 -0.06 0.00 2.06 0.00 0.00 58.89 60.76 3hle h TRP 194 Cb 0.15 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.02 3hle h TRP 194 CO -0.01 1.11 0.13 0.00 -3.56 0.00 0.00 178.44 176.11 3hle h ALA 195 N 0.86 1.15 -0.60 1.49 0.00 -1.00 -0.96 119.26 120.19 3hle h ALA 195 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hle h ALA 195 Cb 0.80 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hle h ALA 195 CO 0.07 0.57 0.37 0.78 0.00 0.00 0.00 179.25 181.04 3hle h GLY 196 N 1.00 0.86 1.01 0.00 0.00 -1.03 -1.44 103.07 103.47 3hle h GLY 196 Ca 0.18 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hle h GLY 196 CO 0.00 0.23 0.61 0.50 0.00 0.00 0.00 176.54 177.88 3hle h LYS 197 N 0.73 1.23 -0.81 4.80 1.79 -1.00 -1.80 116.57 121.51 3hle h LYS 197 Ca 0.24 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3hle h LYS 197 Cb 0.02 -0.28 -0.04 0.00 -1.58 0.00 0.00 32.23 30.36 3hle h LYS 197 CO -0.10 0.82 0.52 1.25 -1.08 0.00 0.00 179.45 180.86 3hle h LEU 198 N 1.27 0.94 -0.56 2.94 6.46 -0.59 -0.94 115.31 124.83 3hle h LEU 198 Ca 0.34 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 58.03 3hle h LEU 198 Cb -0.13 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.53 3hle h LEU 198 CO -0.07 0.70 0.23 0.58 -0.62 0.00 0.00 178.44 179.26 3hle h VAL 199 N 1.10 1.22 -0.61 1.05 2.07 -0.79 0.37 116.25 120.66 3hle h VAL 199 Ca 0.29 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 3hle h VAL 199 Cb -0.10 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3hle h VAL 199 CO -0.06 0.27 0.31 -0.33 0.02 0.00 0.00 177.57 177.78 3hle h GLU 200 N 0.77 0.87 -0.13 1.57 5.08 -0.92 -1.31 114.58 120.51 3hle h GLU 200 Ca 0.19 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 3hle h GLU 200 Cb 0.20 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.29 3hle h GLU 200 CO -0.02 0.68 -0.76 0.00 -1.00 0.00 0.00 179.01 177.91 3hle h ARG 201 N 0.83 0.68 -0.13 2.33 3.08 -1.01 -0.28 114.38 119.88 3hle h ARG 201 Ca 0.21 -0.56 -0.09 0.00 0.07 0.00 0.00 59.98 59.62 3hle h ARG 201 Cb 0.08 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3hle h ARG 201 CO -0.03 1.17 -0.32 0.00 -1.07 0.00 0.00 179.97 179.72 3hle h ALA 202 N 0.67 1.22 0.00 0.04 0.00 -0.82 -3.30 119.26 117.07 3hle h ALA 202 Ca -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hle h ALA 202 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hle h ALA 202 CO 0.15 0.52 -1.82 0.25 0.00 0.00 0.00 179.25 178.35 3hle n THR 203 N -4.10 0.06 -0.95 0.00 -2.24 -0.50 -4.97 114.28 101.57 3hle n THR 203 Ca -0.01 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3hle n THR 203 Cb 0.41 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 3hle n THR 203 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hle n GLY 204 N 1.27 0.39 3.74 3.38 0.00 -0.12 -5.02 105.19 108.83 3hle n GLY 204 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 3hle n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hle s LEU 205 N 0.00 3.64 0.59 0.99 1.43 -1.18 -5.03 118.68 119.12 3hle s LEU 205 Ca 0.00 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3hle s LEU 205 Cb 0.00 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3hle s LEU 205 CO 0.00 0.13 1.05 1.51 0.23 0.00 0.00 176.35 179.27 3hle s ASP 206 N -2.67 5.83 0.35 2.29 3.84 -1.26 -4.22 116.67 120.84 3hle s ASP 206 Ca 0.29 1.77 0.02 0.00 -0.00 0.00 0.00 52.55 54.63 3hle s ASP 206 Cb -0.11 -2.53 0.64 0.00 -1.38 0.00 0.00 42.92 39.54 3hle s ASP 206 CO 0.21 -1.13 2.01 -0.07 -0.00 0.00 0.00 175.17 176.19 3hle h LEU 207 N 0.38 0.72 -0.07 2.11 3.38 -1.93 -1.49 115.31 118.41 3hle h LEU 207 Ca -0.47 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.50 3hle h LEU 207 Cb 1.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3hle h LEU 207 CO 0.58 0.53 -0.05 -0.08 0.09 0.00 0.00 178.44 179.50 3hle h GLU 208 N 0.85 -0.05 -0.65 1.13 4.57 -1.97 0.13 114.58 118.58 3hle h GLU 208 Ca 0.23 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 3hle h GLU 208 Cb -0.09 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 3hle h GLU 208 CO -0.05 -0.04 0.27 0.37 -1.18 0.00 0.00 179.01 178.38 3hle h GLN 209 N -0.06 0.97 -0.35 1.92 4.15 -1.79 -1.31 115.11 118.65 3hle h GLN 209 Ca 0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 3hle h GLN 209 Cb 0.12 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3hle h GLN 209 CO -0.11 0.81 0.11 -0.92 -1.93 0.00 0.00 178.83 176.80 3hle h TYR 210 N 0.92 0.56 -0.31 3.99 3.20 -1.09 -1.56 116.97 122.67 3hle h TYR 210 Ca 0.22 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 62.10 3hle h TYR 210 Cb 0.19 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.24 3hle h TYR 210 CO 0.01 0.54 -0.12 1.25 -1.64 0.00 0.00 178.16 178.20 3hle h LEU 211 N 0.41 -0.43 -0.48 2.82 5.85 -0.56 -0.81 115.31 122.11 3hle h LEU 211 Ca 0.11 0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3hle h LEU 211 Cb 0.24 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3hle h LEU 211 CO -0.00 -0.16 0.19 1.56 -0.34 0.00 0.00 178.44 179.69 3hle h GLN 212 N -0.07 0.72 -0.00 1.25 1.08 -0.88 -1.05 115.11 116.16 3hle h GLN 212 Ca 0.16 -0.13 -0.16 0.00 -1.45 0.00 0.00 58.65 57.06 3hle h GLN 212 Cb 0.31 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3hle h GLN 212 CO -0.36 0.65 -0.78 0.93 -0.95 0.00 0.00 178.83 178.32 3hle h GLU 213 N 0.64 0.00 0.00 1.46 5.08 -1.14 -0.07 114.58 120.55 3hle h GLU 213 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hle h GLU 213 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hle h GLU 213 CO -0.01 0.78 -0.55 0.09 -1.00 0.00 0.00 179.01 178.32 3hle n ASN 214 N -3.61 1.41 0.00 1.42 3.02 -0.32 -4.50 115.26 112.67 3hle n ASN 214 Ca -0.01 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3hle n ASN 214 Cb 0.75 1.07 0.00 0.00 -0.61 0.00 0.00 39.78 41.00 3hle n ASN 214 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hle n ILE 215 N -1.29 0.08 0.06 2.41 5.41 -0.46 -4.80 119.36 120.77 3hle n ILE 215 Ca 0.00 0.03 -0.12 0.00 1.00 0.00 0.00 62.75 63.66 3hle n ILE 215 Cb 0.09 -1.50 -0.08 0.00 -0.71 0.00 0.00 39.64 37.44 3hle n ILE 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hle h ALA 217 N -0.10 0.21 0.00 0.00 0.00 -1.21 -0.55 119.26 117.61 3hle h ALA 217 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hle h ALA 217 Cb 0.52 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hle h ALA 217 CO 0.04 -0.42 0.00 -0.35 0.00 0.00 0.00 179.25 178.51 3hle n PRO 218 N -5.16 0.19 -0.03 0.00 -0.04 -1.25 -2.13 135.00 126.58 3hle n PRO 218 Ca -0.01 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 3hle n PRO 218 Cb 0.13 -1.86 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 3hle n PRO 218 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hle n LEU 219 N -2.23 2.83 -1.56 1.53 4.77 -0.84 -4.98 117.00 116.51 3hle n LEU 219 Ca 0.02 -1.09 -0.14 0.00 -0.03 0.00 0.00 56.01 54.78 3hle n LEU 219 Cb 0.23 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3hle n LEU 219 CO 0.20 0.51 -0.18 0.61 -1.33 0.00 0.00 177.39 177.20 3hle n GLY 220 N 1.20 -0.12 3.72 -0.72 0.00 -0.64 -5.01 105.19 103.62 3hle n GLY 220 Ca 0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3hle n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hle s ILE 221 N -2.69 5.05 -0.04 -0.61 1.01 -0.31 -4.94 121.20 118.67 3hle s ILE 221 Ca 0.00 1.39 0.06 0.00 0.00 0.00 0.00 60.65 62.10 3hle s ILE 221 Cb 0.00 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.54 3hle s ILE 221 CO 0.00 0.27 1.02 0.35 0.00 0.00 0.00 174.94 176.57 3hle n THR 222 N 3.72 1.18 -1.63 2.92 -2.24 -1.26 -4.44 114.28 112.53 3hle n THR 222 Ca -0.02 -1.30 0.06 0.00 -2.27 0.00 0.00 64.05 60.52 3hle n THR 222 Cb 0.51 0.30 0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3hle n THR 222 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hle n ASP 223 N -0.74 1.49 -3.74 3.42 8.00 -1.26 -5.02 116.55 118.69 3hle n ASP 223 Ca 0.05 -2.93 -0.21 0.00 0.71 0.00 0.00 54.79 52.41 3hle n ASP 223 Cb 0.40 -0.39 -0.18 0.00 -0.02 0.00 0.00 41.12 40.93 3hle n ASP 223 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3hle s MET 224 N -1.95 0.35 -0.04 -1.24 1.75 -1.26 -3.55 119.30 113.37 3hle s MET 224 Ca 0.27 0.19 -0.27 0.00 -1.25 0.00 0.00 55.69 54.64 3hle s MET 224 Cb 0.27 -0.77 0.06 0.00 2.84 0.00 0.00 34.83 37.23 3hle s MET 224 CO -0.03 -0.29 0.59 -0.08 -0.65 0.00 0.00 175.02 174.55 3hle s THR 225 N 1.93 0.01 -0.63 10.11 -1.32 -0.34 -4.91 115.64 120.50 3hle s THR 225 Ca 0.03 -0.11 0.25 0.00 -1.21 0.00 0.00 61.69 60.65 3hle s THR 225 Cb -0.12 -0.92 0.19 0.00 -1.51 0.00 0.00 72.50 70.14 3hle s THR 225 CO -0.04 -0.06 1.55 -0.26 -2.21 0.00 0.00 174.62 173.60 3hle h PHE 226 N 3.17 0.00 -2.28 9.09 -1.00 -1.86 0.31 116.94 124.37 3hle h PHE 226 Ca -0.28 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 59.89 3hle h PHE 226 Cb 1.15 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 40.31 3hle h PHE 226 CO 0.41 0.00 -0.46 1.63 -1.61 0.00 0.00 178.31 178.28 3hle n LYS 227 N -2.34 3.26 -0.37 1.51 4.76 -1.26 -4.89 118.16 118.83 3hle n LYS 227 Ca 0.04 -4.80 0.02 0.00 -2.87 0.00 0.00 58.31 50.71 3hle n LYS 227 Cb 0.45 -2.27 0.17 0.00 -1.84 0.00 0.00 35.03 31.54 3hle n LYS 227 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hle h LEU 228 N 3.45 1.05 -2.44 -0.35 5.85 -1.94 -1.66 115.31 119.27 3hle h LEU 228 Ca 0.18 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hle h LEU 228 Cb 0.53 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 3hle h LEU 228 CO 0.87 0.68 -0.01 1.56 -0.34 0.00 0.00 178.44 181.20 3hle h GLN 229 N 1.20 0.00 -0.35 1.25 1.08 -1.93 -0.60 115.11 115.76 3hle h GLN 229 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3hle h GLN 229 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3hle h GLN 229 CO -0.16 0.01 0.00 1.04 -0.95 0.00 0.00 178.83 178.77 3hle n GLN 230 N -3.17 2.02 -3.80 1.46 6.02 -0.63 -4.59 117.38 114.69 3hle n GLN 230 Ca -0.02 -1.56 -0.28 0.00 -0.01 0.00 0.00 57.00 55.13 3hle n GLN 230 Cb 0.15 -1.39 -0.12 0.00 1.02 0.00 0.00 30.24 29.90 3hle n GLN 230 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hle s ARG 231 N -1.54 2.09 0.53 -1.09 1.81 -0.23 -4.98 118.95 115.53 3hle s ARG 231 Ca 0.33 -3.01 0.19 0.00 -1.72 0.00 0.00 55.73 51.52 3hle s ARG 231 Cb 0.18 -3.00 1.38 0.00 -0.45 0.00 0.00 34.95 33.05 3hle s ARG 231 CO 0.24 -1.29 2.14 -1.00 -0.68 0.00 0.00 175.30 174.72 3hle h PRO 232 N 5.59 0.00 -0.54 3.54 0.13 -1.81 -0.31 132.00 138.59 3hle h PRO 232 Ca 0.14 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.16 3hle h PRO 232 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3hle h PRO 232 CO 0.64 0.00 -0.09 0.38 -0.23 0.00 0.00 178.00 178.71 3hle h ASP 233 N 0.00 1.02 -0.21 1.44 -0.00 -1.93 -2.09 116.42 114.64 3hle h ASP 233 Ca 0.03 -0.34 -0.14 0.00 -0.00 0.00 0.00 57.03 56.58 3hle h ASP 233 Cb 0.14 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 3hle h ASP 233 CO -0.00 1.12 -0.43 0.24 -0.00 0.00 0.00 179.24 180.17 3hle h MET 234 N 0.90 0.67 -0.68 4.15 2.86 -1.61 -3.27 114.93 117.94 3hle h MET 234 Ca 0.14 -0.43 0.09 0.00 -2.06 0.00 0.00 59.70 57.44 3hle h MET 234 Cb 0.65 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 32.30 3hle h MET 234 CO 0.04 1.05 0.33 -0.07 1.06 0.00 0.00 176.91 179.33 3hle h LEU 235 N 0.37 0.43 -1.03 1.22 3.38 -1.05 -0.86 115.31 117.77 3hle h LEU 235 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hle h LEU 235 Cb 1.03 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hle h LEU 235 CO 0.10 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3hle h ALA 236 N 1.41 1.00 -0.01 1.53 0.00 -1.44 -3.13 119.26 118.62 3hle h ALA 236 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hle h ALA 236 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hle h ALA 236 CO -0.26 0.00 -0.14 0.54 0.00 0.00 0.00 179.25 179.40 3hle n ARG 237 N -2.48 1.75 -1.70 0.00 1.74 -0.44 -5.07 116.66 110.46 3hle n ARG 237 Ca 0.01 -0.66 -0.34 0.00 -0.77 0.00 0.00 57.85 56.09 3hle n ARG 237 Cb 0.23 -1.07 0.06 0.00 -1.02 0.00 0.00 32.46 30.66 3hle n ARG 237 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3hle s ARG 238 N -1.13 2.60 0.52 5.56 1.70 -0.53 -4.34 118.95 123.32 3hle s ARG 238 Ca 0.08 1.64 -0.21 0.00 -0.47 0.00 0.00 55.73 56.76 3hle s ARG 238 Cb 0.07 -1.90 -0.06 0.00 -0.57 0.00 0.00 34.95 32.49 3hle s ARG 238 CO 0.19 -1.46 1.21 0.00 -1.08 0.00 0.00 175.30 174.17 3hle s ALA 239 N -2.02 2.81 0.32 7.88 0.00 -0.21 -4.93 121.76 125.61 3hle s ALA 239 Ca 0.72 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 53.64 3hle s ALA 239 Cb -0.26 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.37 3hle s ALA 239 CO 0.40 -0.94 0.62 -0.51 0.00 0.00 0.00 175.76 175.33 3hle s ASP 240 N -1.37 6.48 0.20 0.00 1.01 0.12 -4.92 116.67 118.19 3hle s ASP 240 Ca 0.69 0.86 -0.23 0.00 0.71 0.00 0.00 52.55 54.58 3hle s ASP 240 Cb -0.31 -2.20 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 3hle s ASP 240 CO 0.36 -0.25 0.77 -1.10 0.21 0.00 0.00 175.17 175.16 3hle s GLN 241 N -3.60 4.46 0.07 8.23 -1.52 -1.26 -4.57 119.66 121.47 3hle s GLN 241 Ca 0.46 1.07 0.09 0.00 -1.95 0.00 0.00 55.36 55.04 3hle s GLN 241 Cb -0.11 -3.09 -0.03 0.00 -0.22 0.00 0.00 33.01 29.56 3hle s GLN 241 CO 0.30 0.49 -0.25 0.99 -0.25 0.00 0.00 175.29 176.57 3hle s THR 242 N -1.31 2.30 -0.04 -0.19 2.01 -0.91 -1.03 115.64 116.47 3hle s THR 242 Ca 0.39 -1.46 0.05 0.00 0.31 0.00 0.00 61.69 60.98 3hle s THR 242 Cb -0.21 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 3hle s THR 242 CO 0.24 0.28 -0.18 -2.28 -0.69 0.00 0.00 174.62 171.99 3hle s HIS 243 N -0.90 1.74 -0.27 4.92 2.46 0.06 -0.74 115.29 122.57 3hle s HIS 243 Ca 0.13 -0.45 -0.19 0.00 0.47 0.00 0.00 55.06 55.02 3hle s HIS 243 Cb -0.10 -1.15 -0.02 0.00 -0.13 0.00 0.00 32.58 31.17 3hle s HIS 243 CO 0.04 -0.13 0.55 0.50 -2.47 0.00 0.00 174.74 173.23 3hle s ARG 244 N -0.11 4.05 0.10 2.88 3.52 -0.02 -0.81 118.95 128.56 3hle s ARG 244 Ca -0.01 0.36 -0.31 0.00 -0.13 0.00 0.00 55.73 55.64 3hle s ARG 244 Cb -0.10 -3.66 -0.08 0.00 -1.56 0.00 0.00 34.95 29.55 3hle s ARG 244 CO 0.01 -0.39 1.45 1.21 -0.81 0.00 0.00 175.30 176.77 3hle s ASN 245 N 1.54 6.77 0.24 -2.12 2.47 -0.23 -4.66 114.94 118.96 3hle s ASN 245 Ca 0.23 2.36 -0.05 0.00 0.42 0.00 0.00 52.86 55.82 3hle s ASN 245 Cb -0.16 -2.58 0.46 0.00 -1.45 0.00 0.00 41.25 37.52 3hle s ASN 245 CO 0.09 -0.71 1.69 -1.28 -3.72 0.00 0.00 177.10 173.17 3hle h SER 246 N 7.10 0.05 0.38 -4.21 0.87 -1.96 -1.17 113.55 114.61 3hle h SER 246 Ca -0.42 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 3hle h SER 246 Cb 1.20 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 3hle h SER 246 CO 0.88 -0.02 -0.18 0.00 -0.53 0.00 0.00 176.83 176.98 3hle h ALA 247 N 1.60 -0.96 -0.33 6.23 0.00 -1.98 -3.36 119.26 120.47 3hle h ALA 247 Ca 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hle h ALA 247 Cb 0.70 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hle h ALA 247 CO -0.49 -0.92 0.00 -0.40 0.00 0.00 0.00 179.25 177.44 3hle n ASP 248 N -3.61 3.02 -1.54 0.00 5.75 -1.24 -4.96 116.55 113.97 3hle n ASP 248 Ca -0.06 -1.88 -0.19 0.00 -0.01 0.00 0.00 54.79 52.64 3hle n ASP 248 Cb 0.20 -0.21 -0.07 0.00 -1.03 0.00 0.00 41.12 40.01 3hle n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hle n GLY 249 N 1.02 1.61 3.88 6.12 0.00 -0.44 -4.97 105.19 112.41 3hle n GLY 249 Ca 0.15 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3hle n GLY 249 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hle s ARG 250 N -3.76 3.75 -0.04 1.61 6.06 -1.26 -4.76 118.95 120.55 3hle s ARG 250 Ca 0.00 0.22 -0.22 0.00 -2.50 0.00 0.00 55.73 53.23 3hle s ARG 250 Cb 0.00 -2.61 -0.05 0.00 0.06 0.00 0.00 34.95 32.35 3hle s ARG 250 CO 0.00 0.24 0.65 -0.51 -2.50 0.00 0.00 175.30 173.18 3hle s LEU 251 N -3.19 4.36 0.08 -0.88 1.43 -1.26 -1.06 118.68 118.16 3hle s LEU 251 Ca 0.47 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 3hle s LEU 251 Cb -0.11 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 3hle s LEU 251 CO 0.25 -0.01 -0.10 -0.13 0.23 0.00 0.00 176.35 176.59 3hle s ARG 252 N 0.34 0.77 0.28 1.70 0.52 0.01 -4.97 118.95 117.60 3hle s ARG 252 Ca 0.34 -1.06 -0.30 0.00 -0.52 0.00 0.00 55.73 54.20 3hle s ARG 252 Cb -0.18 -0.49 -0.11 0.00 0.52 0.00 0.00 34.95 34.69 3hle s ARG 252 CO 0.18 0.08 1.58 -0.47 0.02 0.00 0.00 175.30 176.69 3hle s TYR 253 N -2.15 2.79 -0.37 -0.53 5.04 -1.26 -0.76 117.35 120.12 3hle s TYR 253 Ca 0.02 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.41 3hle s TYR 253 Cb -0.05 -4.05 0.09 0.00 0.35 0.00 0.00 41.96 38.30 3hle s TYR 253 CO 0.00 -3.53 0.12 0.34 -1.34 0.00 0.00 175.55 171.14 3hle s ASP 254 N 0.52 5.11 -1.31 4.32 -1.08 -0.20 -4.76 116.67 119.27 3hle s ASP 254 Ca 0.63 -1.77 -0.10 0.00 -0.52 0.00 0.00 52.55 50.80 3hle s ASP 254 Cb -0.47 -1.78 0.14 0.00 -1.46 0.00 0.00 42.92 39.35 3hle s ASP 254 CO 0.46 -0.43 1.94 -0.67 0.52 0.00 0.00 175.17 176.99 3hle n ASP 255 N 4.59 4.85 -4.95 -0.34 4.64 -1.26 -4.31 116.55 119.77 3hle n ASP 255 Ca -0.06 -3.06 -0.25 0.00 -1.38 0.00 0.00 54.79 50.05 3hle n ASP 255 Cb 0.42 -1.52 -0.03 0.00 -1.04 0.00 0.00 41.12 38.96 3hle n ASP 255 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 3hle s SER 256 N 1.36 6.32 0.42 1.67 0.01 -1.26 -5.00 113.70 117.22 3hle s SER 256 Ca 0.41 0.14 0.20 0.00 1.31 0.00 0.00 55.95 58.01 3hle s SER 256 Cb 0.10 -1.89 1.14 0.00 0.21 0.00 0.00 66.02 65.59 3hle s SER 256 CO -0.01 0.02 1.82 -0.37 0.41 0.00 0.00 173.24 175.11 3hle h VAL 257 N 1.52 0.59 0.00 3.43 -1.51 -1.93 -3.01 116.25 115.34 3hle h VAL 257 Ca -0.49 -0.12 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 3hle h VAL 257 Cb 1.20 0.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3hle h VAL 257 CO 0.67 0.06 -0.10 1.88 -1.23 0.00 0.00 177.57 178.85 3hle h TYR 258 N 0.36 0.00 0.00 5.19 0.05 -1.95 -2.59 116.97 118.03 3hle h TYR 258 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.30 3hle h TYR 258 Cb 1.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.15 3hle h TYR 258 CO -0.00 0.10 -0.93 1.19 -1.05 0.00 0.00 178.16 177.47 3hle n PHE 259 N -3.59 0.56 -0.35 4.88 3.72 -1.14 -4.26 117.46 117.28 3hle n PHE 259 Ca -0.02 0.16 0.06 0.00 -0.05 0.00 0.00 57.45 57.60 3hle n PHE 259 Cb 0.23 -0.67 0.16 0.00 -0.94 0.00 0.00 39.48 38.26 3hle n PHE 259 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3hle n ARG 260 N -2.23 2.86 -3.50 -1.08 1.85 -0.99 -4.96 116.66 108.60 3hle n ARG 260 Ca 0.02 -2.17 -0.00 0.00 -1.00 0.00 0.00 57.85 54.69 3hle n ARG 260 Cb 0.48 -1.37 -0.04 0.00 -1.05 0.00 0.00 32.46 30.48 3hle n ARG 260 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hle s ALA 261 N -1.42 -2.46 0.25 2.89 0.00 -1.10 -5.03 121.76 114.89 3hle s ALA 261 Ca 0.25 2.16 0.01 0.00 0.00 0.00 0.00 51.96 54.38 3hle s ALA 261 Cb 0.16 -1.91 0.29 0.00 0.00 0.00 0.00 23.12 21.66 3hle s ALA 261 CO 0.12 -0.84 1.64 -0.44 0.00 0.00 0.00 175.76 176.25 3hle h ASP 262 N 7.39 0.52 -4.01 0.00 3.45 -1.88 -3.42 116.42 118.48 3hle h ASP 262 Ca -0.19 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 57.06 3hle h ASP 262 Cb 1.13 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.75 3hle h ASP 262 CO 0.10 0.84 0.00 0.61 -1.57 0.00 0.00 179.24 179.23 3hle n GLY 263 N -0.13 -2.18 0.13 2.75 0.00 -1.26 -4.73 105.19 99.78 3hle n GLY 263 Ca -0.01 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.32 3hle n GLY 263 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hle n GLU 264 N -0.40 0.71 -4.04 1.61 0.28 -1.26 -4.98 120.64 112.56 3hle n GLU 264 Ca 0.00 0.28 -0.34 0.00 -0.16 0.00 0.00 57.16 56.93 3hle n GLU 264 Cb 0.00 -1.67 -0.07 0.00 1.43 0.00 0.00 31.44 31.14 3hle n GLU 264 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 3hle s GLU 265 N -2.53 3.23 -0.07 3.44 -1.05 -1.26 -5.07 118.70 115.38 3hle s GLU 265 Ca -0.26 -0.36 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 3hle s GLU 265 Cb 0.07 -2.98 -0.02 0.00 -0.44 0.00 0.00 34.13 30.76 3hle s GLU 265 CO 0.71 0.69 1.10 0.00 0.95 0.00 0.00 175.26 178.70 3hle s PHE 267 N 2.04 3.24 -0.91 0.00 0.08 -1.26 -4.90 117.98 116.26 3hle s PHE 267 Ca 0.52 -0.62 0.12 0.00 0.12 0.00 0.00 56.93 57.07 3hle s PHE 267 Cb -0.22 -2.53 0.53 0.00 -0.57 0.00 0.00 43.02 40.23 3hle s PHE 267 CO 0.20 -0.57 1.39 0.41 -0.10 0.00 0.00 175.22 176.55 3hle n GLY 268 N 5.11 -0.90 0.07 4.36 0.00 -1.26 -1.24 105.19 111.34 3hle n GLY 268 Ca -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3hle n GLY 268 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hle h GLY 269 N 1.76 0.04 0.00 -0.02 0.00 -1.89 -3.38 103.07 99.59 3hle h GLY 269 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3hle h GLY 269 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.25 3hle n GLN 270 N -3.27 0.00 0.00 4.80 10.64 -1.11 -4.04 117.38 124.40 3hle n GLN 270 Ca -0.08 0.00 0.13 0.00 -1.83 0.00 0.00 57.00 55.23 3hle n GLN 270 Cb 0.99 -0.26 0.41 0.00 -0.86 0.00 0.00 30.24 30.52 3hle n GLN 270 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hle n GLY 271 N 0.00 -0.16 3.78 2.61 0.00 -0.37 -3.62 105.19 107.42 3hle n GLY 271 Ca 0.00 -0.46 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3hle n GLY 271 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hle s VAL 272 N -2.22 4.87 -0.18 1.61 1.01 -1.26 -4.45 120.40 119.78 3hle s VAL 272 Ca 0.31 1.22 -0.07 0.00 0.00 0.00 0.00 61.98 63.44 3hle s VAL 272 Cb 0.20 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3hle s VAL 272 CO 0.42 0.46 0.06 -0.36 0.00 0.00 0.00 175.10 175.67 3hle s PHE 273 N -0.44 3.25 0.14 5.22 0.08 0.11 -1.99 117.98 124.35 3hle s PHE 273 Ca 0.30 0.07 -0.17 0.00 0.12 0.00 0.00 56.93 57.25 3hle s PHE 273 Cb -0.18 -2.07 0.04 0.00 -0.57 0.00 0.00 43.02 40.23 3hle s PHE 273 CO 0.17 0.16 0.45 0.45 -0.10 0.00 0.00 175.22 176.36 3hle s SER 274 N 0.35 -0.29 0.54 1.36 0.15 -0.18 -1.19 113.70 114.42 3hle s SER 274 Ca 0.03 -0.29 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 3hle s SER 274 Cb -0.12 0.51 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 3hle s SER 274 CO 0.00 -0.91 0.98 -0.94 1.20 0.00 0.00 173.24 173.58 3hle s SER 275 N -2.81 6.51 0.31 5.45 1.04 -1.23 -0.82 113.70 122.14 3hle s SER 275 Ca 0.04 1.50 0.01 0.00 0.48 0.00 0.00 55.95 57.98 3hle s SER 275 Cb 0.01 -2.48 0.55 0.00 0.10 0.00 0.00 66.02 64.20 3hle s SER 275 CO -0.11 -0.65 1.91 -0.65 0.98 0.00 0.00 173.24 174.72 3hle h PRO 276 N 0.59 0.97 -0.52 4.02 0.11 -1.72 -2.17 132.00 133.28 3hle h PRO 276 Ca -0.46 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 65.64 3hle h PRO 276 Cb 1.19 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.03 3hle h PRO 276 CO 0.62 0.64 0.25 0.78 -0.21 0.00 0.00 178.00 180.08 3hle h GLY 277 N 1.00 0.72 1.23 -0.55 0.00 -1.57 -1.13 103.07 102.77 3hle h GLY 277 Ca 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.42 3hle h GLY 277 CO -0.15 0.10 -0.29 1.76 0.00 0.00 0.00 176.54 177.96 3hle h SER 278 N 0.49 0.90 -0.61 0.19 0.02 -1.74 -2.57 113.55 110.23 3hle h SER 278 Ca 0.23 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3hle h SER 278 Cb 0.15 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3hle h SER 278 CO -0.17 1.12 0.29 0.22 -1.14 0.00 0.00 176.83 177.15 3hle h TYR 279 N 0.73 0.89 -0.28 3.45 3.20 -1.14 -2.55 116.97 121.28 3hle h TYR 279 Ca 0.08 -0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hle h TYR 279 Cb 0.85 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3hle h TYR 279 CO 0.05 0.68 0.11 1.98 -1.64 0.00 0.00 178.16 179.34 3hle h MET 280 N 0.84 0.39 -0.57 1.82 4.05 -1.10 -1.22 114.93 119.14 3hle h MET 280 Ca 0.21 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3hle h MET 280 Cb 0.13 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3hle h MET 280 CO -0.02 0.33 0.38 0.87 0.23 0.00 0.00 176.91 178.69 3hle h LYS 281 N 0.39 0.74 0.17 0.39 1.57 -1.04 0.12 116.57 118.91 3hle h LYS 281 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hle h LYS 281 Cb 0.09 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3hle h LYS 281 CO -0.01 0.49 -0.08 0.28 -0.57 0.00 0.00 179.45 179.56 3hle h VAL 282 N 0.76 0.95 -0.51 0.50 2.07 -1.16 -2.29 116.25 116.56 3hle h VAL 282 Ca 0.21 -0.76 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3hle h VAL 282 Cb -0.07 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3hle h VAL 282 CO -0.05 0.17 0.22 -0.07 0.02 0.00 0.00 177.57 177.87 3hle h LEU 283 N -0.62 0.28 -0.88 2.57 3.38 -1.15 -2.09 115.31 116.81 3hle h LEU 283 Ca -0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hle h LEU 283 Cb 0.46 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hle h LEU 283 CO 0.04 0.20 0.20 -0.74 0.09 0.00 0.00 178.44 178.22 3hle h HIS 284 N 0.43 1.05 -0.62 1.13 2.76 -0.81 -0.10 115.15 118.99 3hle h HIS 284 Ca 0.24 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3hle h HIS 284 Cb 0.20 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 3hle h HIS 284 CO -0.13 0.84 0.02 1.03 -1.30 0.00 0.00 177.93 178.40 3hle h SER 285 N 0.98 1.05 -0.57 3.26 0.87 -1.01 -0.09 113.55 118.05 3hle h SER 285 Ca 0.22 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 3hle h SER 285 Cb 0.29 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3hle h SER 285 CO -0.01 1.09 0.08 -0.07 -0.53 0.00 0.00 176.83 177.39 3hle h LEU 286 N 0.99 0.91 -0.54 2.23 3.38 -0.99 -1.73 115.31 119.55 3hle h LEU 286 Ca 0.18 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3hle h LEU 286 Cb 0.53 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3hle h LEU 286 CO 0.03 0.94 0.27 0.25 0.09 0.00 0.00 178.44 180.02 3hle h LEU 287 N 0.84 0.70 -1.10 1.67 5.85 -0.73 -2.97 115.31 119.55 3hle h LEU 287 Ca 0.17 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hle h LEU 287 Cb 0.43 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3hle h LEU 287 CO 0.01 0.62 -0.15 0.11 -0.34 0.00 0.00 178.44 178.69 3hle h LYS 288 N 0.73 0.00 -6.00 1.25 1.57 -0.88 -3.48 116.57 109.77 3hle h LYS 288 Ca 0.19 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.57 3hle h LYS 288 Cb 0.10 0.00 0.08 0.00 0.08 0.00 0.00 32.23 32.49 3hle h LYS 288 CO -0.03 0.15 -0.81 0.54 -0.57 0.00 0.00 179.45 178.74 3hle n ARG 289 N -3.28 -5.40 -0.07 3.15 1.74 -0.66 -4.90 116.66 107.24 3hle n ARG 289 Ca 0.01 0.67 0.11 0.00 -0.77 0.00 0.00 57.85 57.87 3hle n ARG 289 Cb 0.41 -5.37 0.40 0.00 -1.02 0.00 0.00 32.46 26.88 3hle n ARG 289 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hle n ASP 290 N -3.06 1.50 0.00 0.55 3.85 -1.20 -4.71 116.55 113.48 3hle n ASP 290 Ca -0.27 -1.67 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 3hle n ASP 290 Cb 0.67 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 3hle n ASP 290 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hle n GLY 291 N 1.10 0.58 0.22 6.12 0.00 -1.24 -4.88 105.19 107.09 3hle n GLY 291 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 3hle n GLY 291 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hle h LEU 292 N 0.00 0.53 0.00 0.99 3.38 -1.91 -3.36 115.31 114.94 3hle h LEU 292 Ca 0.00 -0.23 -0.31 0.00 0.09 0.00 0.00 57.88 57.43 3hle h LEU 292 Cb 0.00 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hle h LEU 292 CO 0.00 0.88 -2.16 0.18 0.09 0.00 0.00 178.44 177.43 3hle n LEU 293 N -4.03 2.87 -3.75 1.67 4.77 -1.26 -4.91 117.00 112.35 3hle n LEU 293 Ca -0.02 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 3hle n LEU 293 Cb 0.51 -0.70 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 3hle n LEU 293 CO 0.44 0.81 0.02 -0.76 -1.33 0.00 0.00 177.39 176.58 3hle s LEU 294 N -6.27 0.92 0.44 2.23 1.43 -1.26 -4.84 118.68 111.33 3hle s LEU 294 Ca -0.28 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 3hle s LEU 294 Cb 0.07 1.38 -0.08 0.00 0.03 0.00 0.00 46.19 47.59 3hle s LEU 294 CO 0.46 -0.70 1.20 -1.10 0.23 0.00 0.00 176.35 176.45 3hle s GLN 295 N -3.16 3.82 0.32 1.70 -0.21 -1.26 -3.62 119.66 117.24 3hle s GLN 295 Ca -0.01 1.89 0.09 0.00 0.02 0.00 0.00 55.36 57.35 3hle s GLN 295 Cb 0.01 -2.53 0.86 0.00 1.00 0.00 0.00 33.01 32.36 3hle s GLN 295 CO -0.07 -0.53 1.73 -1.35 -2.12 0.00 0.00 175.29 172.95 3hle h PRO 296 N 2.27 0.57 0.00 2.91 0.11 -1.95 0.09 132.00 135.99 3hle h PRO 296 Ca -0.49 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 3hle h PRO 296 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3hle h PRO 296 CO 0.61 0.38 -0.40 -0.56 -0.21 0.00 0.00 178.00 177.82 3hle h GLN 297 N 0.58 0.00 -0.14 1.05 -0.00 -1.98 -0.79 115.11 113.84 3hle h GLN 297 Ca 0.63 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 59.07 3hle h GLN 297 Cb 1.18 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.67 3hle h GLN 297 CO -0.47 0.40 -0.77 1.15 -0.00 0.00 0.00 178.83 179.14 3hle h THR 298 N 0.00 1.29 -0.56 1.86 2.02 -1.38 -2.79 112.91 113.35 3hle h THR 298 Ca -0.00 -2.00 -0.00 0.00 0.77 0.00 0.00 66.41 65.17 3hle h THR 298 Cb 0.83 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 3hle h THR 298 CO 0.05 0.63 0.34 0.58 0.37 0.00 0.00 175.52 177.49 3hle h VAL 299 N 0.49 1.17 -0.57 3.16 2.07 -1.01 -2.44 116.25 119.12 3hle h VAL 299 Ca -0.05 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.15 3hle h VAL 299 Cb 1.39 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3hle h VAL 299 CO 0.15 0.17 0.38 0.44 0.02 0.00 0.00 177.57 178.74 3hle h ASP 300 N 0.76 0.48 -0.74 0.57 3.32 -1.10 -0.57 116.42 119.14 3hle h ASP 300 Ca 0.20 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.30 3hle h ASP 300 Cb -0.02 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3hle h ASP 300 CO -0.04 0.32 0.49 0.25 -1.72 0.00 0.00 179.24 178.54 3hle h LEU 301 N 0.55 0.73 -1.64 1.55 5.85 -1.16 -2.34 115.31 118.86 3hle h LEU 301 Ca 0.25 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hle h LEU 301 Cb 0.27 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hle h LEU 301 CO -0.07 0.49 0.10 0.24 -0.34 0.00 0.00 178.44 178.86 3hle h MET 302 N 0.84 0.33 -0.01 1.25 2.86 -1.04 -2.52 114.93 116.64 3hle h MET 302 Ca 0.31 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hle h MET 302 Cb 0.16 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.75 3hle h MET 302 CO -0.10 0.28 -0.03 1.19 1.06 0.00 0.00 176.91 179.31 3hle n PHE 303 N -4.44 0.00 -3.18 -0.22 3.72 -0.89 -1.57 117.46 110.89 3hle n PHE 303 Ca 0.01 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.02 3hle n PHE 303 Cb 0.12 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 3hle n PHE 303 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3hle s GLN 304 N -2.05 4.35 -0.20 -1.08 -1.52 -0.95 -4.95 119.66 113.26 3hle s GLN 304 Ca 0.37 0.73 -0.38 0.00 -1.95 0.00 0.00 55.36 54.13 3hle s GLN 304 Cb 0.21 -3.38 -0.14 0.00 -0.22 0.00 0.00 33.01 29.48 3hle s GLN 304 CO 0.35 0.27 1.80 -2.30 -0.25 0.00 0.00 175.29 175.17 3hle n PRO 305 N 3.10 1.57 0.07 2.91 -0.02 -1.26 -4.35 135.00 137.02 3hle n PRO 305 Ca -0.06 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3hle n PRO 305 Cb 0.51 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 3hle n PRO 305 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hle n ALA 306 N 5.92 2.72 -2.53 3.55 0.00 0.11 -4.95 120.51 125.33 3hle n ALA 306 Ca 0.25 -0.31 -0.38 0.00 0.00 0.00 0.00 53.44 53.00 3hle n ALA 306 Cb 0.20 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3hle n ALA 306 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hle s LEU 307 N -4.93 4.47 0.76 0.00 1.43 -1.26 -5.06 118.68 114.08 3hle s LEU 307 Ca -0.01 0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 3hle s LEU 307 Cb 0.11 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.83 3hle s LEU 307 CO 0.81 0.33 1.08 -1.61 0.23 0.00 0.00 176.35 177.19 3hle s GLU 308 N -1.05 2.40 0.24 1.70 2.02 -1.26 -4.69 118.70 118.06 3hle s GLU 308 Ca 0.23 0.86 -0.10 0.00 0.02 0.00 0.00 54.97 55.98 3hle s GLU 308 Cb -0.16 -1.94 0.36 0.00 0.10 0.00 0.00 34.13 32.49 3hle s GLU 308 CO 0.13 -1.46 1.62 -1.35 0.02 0.00 0.00 175.26 174.21 3hle h PRO 309 N -0.98 0.03 -0.62 0.39 0.11 -1.98 -1.10 132.00 127.86 3hle h PRO 309 Ca -0.45 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 3hle h PRO 309 Cb 1.24 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3hle h PRO 309 CO 0.57 0.02 0.37 -0.09 -0.21 0.00 0.00 178.00 178.66 3hle h ARG 310 N 0.03 0.71 -0.25 1.05 2.43 -1.99 -0.44 114.38 115.91 3hle h ARG 310 Ca 0.38 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 3hle h ARG 310 Cb 0.62 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3hle h ARG 310 CO -0.73 0.47 -0.25 -0.07 -1.51 0.00 0.00 179.97 177.87 3hle h LEU 311 N 0.73 0.66 -0.59 3.80 3.38 -1.69 -1.72 115.31 119.89 3hle h LEU 311 Ca 0.25 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.80 3hle h LEU 311 Cb 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hle h LEU 311 CO -0.11 1.00 0.30 -0.08 0.09 0.00 0.00 178.44 179.64 3hle h GLU 312 N 0.34 0.55 -0.26 1.13 4.81 -0.99 0.11 114.58 120.26 3hle h GLU 312 Ca 0.04 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hle h GLU 312 Cb 0.82 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3hle h GLU 312 CO 0.06 0.36 0.11 1.49 -0.73 0.00 0.00 179.01 180.31 3hle h GLU 313 N 0.57 0.39 -0.75 1.92 4.57 -1.06 -1.97 114.58 118.24 3hle h GLU 313 Ca 0.27 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.34 3hle h GLU 313 Cb 0.19 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3hle h GLU 313 CO -0.19 0.40 0.32 0.37 -1.18 0.00 0.00 179.01 178.73 3hle h GLN 314 N 0.28 1.11 -0.23 1.92 -0.00 -0.99 -1.29 115.11 115.91 3hle h GLN 314 Ca 0.09 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 3hle h GLN 314 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 3hle h GLN 314 CO -0.01 0.88 0.03 1.98 0.00 0.00 0.00 178.83 181.72 3hle h MET 315 N 1.08 0.38 -0.49 1.69 4.05 -0.68 -1.31 114.93 119.65 3hle h MET 315 Ca 0.25 -0.10 -0.01 0.00 -0.28 0.00 0.00 59.70 59.56 3hle h MET 315 Cb 0.18 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 3hle h MET 315 CO -0.02 0.52 0.28 -0.91 0.23 0.00 0.00 176.91 177.01 3hle h ASN 316 N 0.18 0.60 -0.28 1.39 2.35 -1.30 0.12 115.58 118.64 3hle h ASN 316 Ca 0.07 -0.07 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3hle h ASN 316 Cb 0.33 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 3hle h ASN 316 CO 0.01 0.50 -0.08 -0.61 -1.65 0.00 0.00 177.43 175.60 3hle h GLN 317 N 0.66 -0.02 -0.39 0.81 5.75 -1.16 -0.30 115.11 120.47 3hle h GLN 317 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3hle h GLN 317 Cb 0.02 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.56 3hle h GLN 317 CO -0.03 -0.01 0.25 1.25 -2.65 0.00 0.00 178.83 177.64 3hle h HIS 318 N -0.02 0.49 -0.16 3.99 2.76 -0.95 -2.23 115.15 119.03 3hle h HIS 318 Ca 0.14 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 3hle h HIS 318 Cb 0.22 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 3hle h HIS 318 CO -0.28 0.32 -0.23 0.52 -1.30 0.00 0.00 177.93 176.96 3hle h MET 319 N 0.52 0.44 -0.98 5.26 2.86 -0.75 -2.28 114.93 120.01 3hle h MET 319 Ca 0.14 -0.26 0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3hle h MET 319 Cb -0.04 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 3hle h MET 319 CO -0.03 0.85 0.63 -0.44 1.06 0.00 0.00 176.91 178.97 3hle h ASP 320 N 0.08 0.94 0.00 1.22 3.32 -1.07 -1.62 116.42 119.28 3hle h ASP 320 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hle h ASP 320 Cb 0.80 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3hle h ASP 320 CO 0.05 0.55 -0.00 0.00 -1.72 0.00 0.00 179.24 178.12 3hle n ALA 321 N -2.37 2.65 -2.72 3.45 0.00 -0.84 -4.39 120.51 116.30 3hle n ALA 321 Ca 0.17 -0.28 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 3hle n ALA 321 Cb 0.28 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3hle n ALA 321 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hle n SER 322 N -0.64 3.92 0.21 0.00 7.64 -0.61 -4.83 113.62 119.31 3hle n SER 322 Ca 0.22 -3.53 0.15 0.00 1.01 0.00 0.00 58.87 56.73 3hle n SER 322 Cb 0.19 -0.52 0.67 0.00 -1.01 0.00 0.00 64.21 63.54 3hle n SER 322 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3hle h PRO 323 N 2.80 0.00 0.00 1.43 0.13 -1.77 -0.14 132.00 134.45 3hle h PRO 323 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hle h PRO 323 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 3hle h PRO 323 CO 0.77 0.00 -0.00 1.12 -0.23 0.00 0.00 178.00 179.66 3hle h HIS 324 N 0.00 0.00 0.00 1.56 2.07 -1.94 -3.28 115.15 113.56 3hle h HIS 324 Ca 0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 3hle h HIS 324 Cb 0.31 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.25 3hle h HIS 324 CO 0.00 0.00 -1.80 -0.89 -3.07 0.00 0.00 177.93 172.17 3hle n ILE 325 N -3.09 1.52 -3.26 6.12 5.41 -0.49 -5.06 119.36 120.50 3hle n ILE 325 Ca 0.00 -0.15 -0.07 0.00 1.00 0.00 0.00 62.75 63.53 3hle n ILE 325 Cb 0.30 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 3hle n ILE 325 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 3hle n ASN 326 N -4.36 -6.98 0.19 4.38 5.15 -0.19 -4.84 115.26 108.61 3hle n ASN 326 Ca -0.38 -0.30 0.06 0.00 -0.60 0.00 0.00 54.58 53.37 3hle n ASN 326 Cb 0.72 -4.29 0.56 0.00 -0.53 0.00 0.00 39.78 36.24 3hle n ASN 326 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 3hle h TYR 327 N 0.32 0.13 -0.04 1.20 0.05 -1.92 -2.77 116.97 113.94 3hle h TYR 327 Ca -0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3hle h TYR 327 Cb 1.11 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.81 3hle h TYR 327 CO 0.20 0.12 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 3hle n GLY 328 N -1.42 -0.30 7.00 3.88 0.00 -1.26 -4.76 105.19 108.33 3hle n GLY 328 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3hle n GLY 328 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hle n GLY 329 N 1.08 3.46 0.13 -0.02 0.00 -1.05 -2.10 105.19 106.69 3hle n GLY 329 Ca 0.19 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.57 3hle n GLY 329 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hle n PRO 330 N 9.83 0.19 -1.37 1.61 -0.04 -1.26 -4.86 135.00 139.09 3hle n PRO 330 Ca 0.00 0.42 -0.35 0.00 -0.04 0.00 0.00 63.50 63.53 3hle n PRO 330 Cb 0.00 -1.86 0.10 0.00 -0.04 0.00 0.00 33.50 31.70 3hle n PRO 330 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3hle n MET 331 N -2.21 0.58 -1.64 0.54 2.81 -0.89 -4.92 117.12 111.39 3hle n MET 331 Ca 0.02 0.27 -0.40 0.00 -1.81 0.00 0.00 57.70 55.78 3hle n MET 331 Cb 0.22 -2.47 0.03 0.00 -0.71 0.00 0.00 33.22 30.29 3hle n MET 331 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3hle n PRO 332 N -2.65 1.33 0.07 0.03 -0.02 -1.26 -4.87 135.00 127.63 3hle n PRO 332 Ca 0.15 0.49 0.02 0.00 -2.02 0.00 0.00 63.50 62.14 3hle n PRO 332 Cb 0.49 -2.19 0.39 0.00 -0.02 0.00 0.00 33.50 32.18 3hle n PRO 332 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 3hle h MET 333 N 1.28 0.37 -5.09 -0.52 4.05 -1.94 -3.38 114.93 109.70 3hle h MET 333 Ca -0.47 -0.06 -0.67 0.00 -0.28 0.00 0.00 59.70 58.22 3hle h MET 333 Cb 1.34 -0.06 -0.32 0.00 -0.80 0.00 0.00 31.60 31.76 3hle h MET 333 CO 0.55 0.39 -0.81 0.08 0.23 0.00 0.00 176.91 177.35 3hle s VAL 334 N -4.99 2.55 -0.18 -5.77 1.01 -1.26 -4.38 120.40 107.38 3hle s VAL 334 Ca -0.07 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 3hle s VAL 334 Cb 0.16 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.52 3hle s VAL 334 CO 0.74 0.51 0.76 -0.22 0.00 0.00 0.00 175.10 176.88 3hle s LEU 335 N 1.17 -0.66 -0.27 3.92 2.96 -1.26 -5.12 118.68 119.42 3hle s LEU 335 Ca 0.02 1.03 -0.28 0.00 -0.22 0.00 0.00 54.13 54.68 3hle s LEU 335 Cb -0.14 2.39 0.01 0.00 0.50 0.00 0.00 46.19 48.95 3hle s LEU 335 CO -0.06 -0.39 0.99 -0.60 -1.32 0.00 0.00 176.35 174.97 3hle s ARG 336 N -0.35 4.14 0.28 1.98 6.06 -1.26 -4.98 118.95 124.81 3hle s ARG 336 Ca -0.04 1.09 0.05 0.00 -2.50 0.00 0.00 55.73 54.33 3hle s ARG 336 Cb -0.03 -3.69 -0.06 0.00 0.06 0.00 0.00 34.95 31.24 3hle s ARG 336 CO 0.04 -0.72 -0.02 1.03 -2.50 0.00 0.00 175.30 173.13 3hle s ARG 337 N 3.27 1.53 0.11 5.12 0.52 -1.26 -0.84 118.95 127.39 3hle s ARG 337 Ca 0.41 -1.79 0.02 0.00 -0.52 0.00 0.00 55.73 53.86 3hle s ARG 337 Cb -0.14 -0.99 -0.01 0.00 0.52 0.00 0.00 34.95 34.33 3hle s ARG 337 CO 0.10 -0.04 0.08 0.45 0.02 0.00 0.00 175.30 175.92 3hle n SER 338 N -0.57 -0.09 -4.19 0.23 2.88 0.01 -4.82 113.62 107.07 3hle n SER 338 Ca -0.05 -1.68 -0.28 0.00 -1.33 0.00 0.00 58.87 55.53 3hle n SER 338 Cb 0.64 0.50 -0.16 0.00 -0.75 0.00 0.00 64.21 64.44 3hle n SER 338 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3hle s PHE 339 N -2.38 2.01 0.00 0.66 2.19 -1.26 -0.67 117.98 118.53 3hle s PHE 339 Ca 0.12 -0.59 0.00 0.00 0.33 0.00 0.00 56.93 56.79 3hle s PHE 339 Cb 0.01 -1.34 0.00 0.00 -1.31 0.00 0.00 43.02 40.38 3hle s PHE 339 CO 0.08 -0.19 0.00 0.41 1.83 0.00 0.00 175.22 177.36 3hle n GLY 340 N 3.06 2.14 3.19 13.12 0.00 -0.23 -0.71 105.19 125.76 3hle n GLY 340 Ca -0.18 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 3hle n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hle s LEU 341 N 0.00 4.59 0.00 0.99 1.43 -0.61 -4.57 118.68 120.52 3hle s LEU 341 Ca 0.00 -1.51 0.00 0.00 -1.03 0.00 0.00 54.13 51.59 3hle s LEU 341 Cb 0.00 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3hle s LEU 341 CO 0.00 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.79 3hle n GLY 342 N 4.70 1.04 0.00 -3.19 0.00 -1.26 -4.62 105.19 101.85 3hle n GLY 342 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3hle n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hle n GLY 343 N -0.61 -1.80 3.74 -0.02 0.00 -1.26 -4.58 105.19 100.65 3hle n GLY 343 Ca 0.00 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3hle n GLY 343 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hle s ILE 344 N -2.13 4.11 -0.12 -0.61 1.01 0.14 -1.07 121.20 122.54 3hle s ILE 344 Ca 0.00 1.91 -0.02 0.00 0.00 0.00 0.00 60.65 62.54 3hle s ILE 344 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 3hle s ILE 344 CO 0.00 0.37 -0.04 -0.63 0.00 0.00 0.00 174.94 174.64 3hle s ILE 345 N -0.54 3.95 -0.11 2.92 1.01 0.15 -0.98 121.20 127.60 3hle s ILE 345 Ca 0.45 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.46 3hle s ILE 345 Cb -0.26 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 3hle s ILE 345 CO 0.33 0.55 0.94 0.00 0.00 0.00 0.00 174.94 176.75 3hle s ALA 346 N -0.23 3.40 -1.87 9.38 0.00 -0.74 -0.81 121.76 130.90 3hle s ALA 346 Ca 0.04 0.29 0.26 0.00 0.00 0.00 0.00 51.96 52.55 3hle s ALA 346 Cb -0.13 -3.34 0.63 0.00 0.00 0.00 0.00 23.12 20.29 3hle s ALA 346 CO 0.02 -0.54 1.49 1.28 0.00 0.00 0.00 175.76 178.01 3hle n LEU 347 N 4.85 1.26 -3.97 0.00 4.77 -0.02 -0.61 117.00 123.28 3hle n LEU 347 Ca 0.07 -0.38 -0.08 0.00 -0.03 0.00 0.00 56.01 55.59 3hle n LEU 347 Cb 0.49 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3hle n LEU 347 CO 0.51 0.23 -0.22 -1.83 -1.33 0.00 0.00 177.39 174.75 3hle s GLU 348 N -2.46 0.74 0.34 3.23 -1.05 -1.25 -4.86 118.70 113.40 3hle s GLU 348 Ca 0.24 -1.09 -0.29 0.00 -0.15 0.00 0.00 54.97 53.68 3hle s GLU 348 Cb 0.19 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 34.05 3hle s GLU 348 CO 0.51 -0.19 1.50 -0.25 0.95 0.00 0.00 175.26 177.78 3hle n ASP 349 N 0.02 3.68 -0.12 0.83 8.00 -1.26 -3.83 116.55 123.86 3hle n ASP 349 Ca -0.14 1.20 -0.11 0.00 0.71 0.00 0.00 54.79 56.44 3hle n ASP 349 Cb 0.62 -1.59 0.01 0.00 -0.02 0.00 0.00 41.12 40.14 3hle n ASP 349 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hle h LEU 350 N 3.49 0.95 -5.36 0.64 4.07 -1.42 -3.39 115.31 114.29 3hle h LEU 350 Ca -0.49 -0.39 -0.34 0.00 0.08 0.00 0.00 57.88 56.74 3hle h LEU 350 Cb 1.24 -0.27 -0.23 0.00 1.08 0.00 0.00 40.66 42.48 3hle h LEU 350 CO 0.69 1.17 -0.71 -0.67 -1.08 0.00 0.00 178.44 177.84 3hle n ASP 351 N -4.08 -1.66 0.00 -0.43 2.03 -1.26 -4.96 116.55 106.19 3hle n ASP 351 Ca -0.01 -3.18 0.00 0.00 0.52 0.00 0.00 54.79 52.13 3hle n ASP 351 Cb 0.49 0.96 0.00 0.00 -0.72 0.00 0.00 41.12 41.86 3hle n ASP 351 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hle n GLY 352 N 1.27 3.22 1.18 0.27 0.00 -1.26 -1.44 105.19 108.43 3hle n GLY 352 Ca 0.13 0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3hle n GLY 352 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hle n GLU 353 N 14.00 2.62 0.04 1.61 1.02 -1.26 -4.34 120.64 134.32 3hle n GLU 353 Ca 0.00 -2.22 0.11 0.00 -0.02 0.00 0.00 57.16 55.04 3hle n GLU 353 Cb 0.00 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 29.90 3hle n GLU 353 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hle n ASN 354 N 1.17 0.62 0.00 1.62 3.02 -0.52 -5.03 115.26 116.14 3hle n ASN 354 Ca 0.20 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3hle n ASN 354 Cb 0.57 0.73 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 3hle n ASN 354 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3hle n TRP 355 N -2.06 0.00 -1.87 3.10 -0.00 -1.26 -4.49 117.44 110.87 3hle n TRP 355 Ca 0.02 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.13 3hle n TRP 355 Cb 0.45 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.79 3hle n TRP 355 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 177.69 178.72 3hle s ARG 356 N 1.89 3.47 0.26 5.87 0.52 -1.26 -4.81 118.95 124.88 3hle s ARG 356 Ca 0.00 2.24 0.06 0.00 -0.52 0.00 0.00 55.73 57.51 3hle s ARG 356 Cb 0.00 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 32.99 3hle s ARG 356 CO 0.00 -0.93 0.33 1.03 0.02 0.00 0.00 175.30 175.75 3hle s ARG 357 N -2.67 3.25 0.24 3.54 1.81 -1.26 -1.07 118.95 122.78 3hle s ARG 357 Ca 0.66 -0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 53.49 3hle s ARG 357 Cb -0.40 -2.79 -0.15 0.00 -0.45 0.00 0.00 34.95 31.16 3hle s ARG 357 CO 0.49 0.36 0.93 1.17 -0.68 0.00 0.00 175.30 177.57 3hle n LYS 358 N -1.39 0.98 -0.38 3.54 4.81 -1.25 -2.06 118.16 122.42 3hle n LYS 358 Ca -0.07 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3hle n LYS 358 Cb 0.57 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.97 3hle n LYS 358 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hle n GLY 359 N 1.57 0.71 3.79 3.14 0.00 0.22 -4.74 105.19 109.89 3hle n GLY 359 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3hle n GLY 359 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hle s SER 360 N -2.99 7.13 -0.05 1.61 1.04 -0.87 -4.65 113.70 114.91 3hle s SER 360 Ca 0.00 1.80 0.04 0.00 0.48 0.00 0.00 55.95 58.28 3hle s SER 360 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 3hle s SER 360 CO 0.00 -0.22 -0.16 -0.22 0.98 0.00 0.00 173.24 173.61 3hle s LEU 361 N -2.53 2.60 -0.02 2.42 2.96 0.08 -1.78 118.68 122.41 3hle s LEU 361 Ca 0.55 -0.26 -0.21 0.00 -0.22 0.00 0.00 54.13 53.99 3hle s LEU 361 Cb -0.15 -1.52 0.04 0.00 0.50 0.00 0.00 46.19 45.06 3hle s LEU 361 CO 0.20 0.33 0.46 0.28 -1.32 0.00 0.00 176.35 176.30 3hle s THR 362 N -0.62 0.04 0.00 3.68 -1.32 -0.16 -0.62 115.64 116.64 3hle s THR 362 Ca 0.09 -0.30 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 3hle s THR 362 Cb -0.11 -0.80 0.00 0.00 -1.51 0.00 0.00 72.50 70.08 3hle s THR 362 CO 0.01 -0.16 0.00 0.33 -2.21 0.00 0.00 174.62 172.58 3hle n PHE 363 N 1.02 -0.03 -3.41 9.09 7.35 -1.04 -0.68 117.46 129.76 3hle n PHE 363 Ca -0.20 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.48 3hle n PHE 363 Cb 0.57 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.40 3hle n PHE 363 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hle n GLY 364 N 0.00 1.35 3.00 7.13 0.00 -1.26 -2.00 105.19 113.41 3hle n GLY 364 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 3hle n GLY 364 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hle s GLY 365 N -1.89 0.33 0.12 -0.02 0.00 -0.38 -2.14 107.32 103.35 3hle s GLY 365 Ca 0.03 -0.55 -0.09 0.00 0.00 0.00 0.00 44.72 44.10 3hle s GLY 365 CO 0.01 -0.59 0.79 0.61 0.00 0.00 0.00 173.10 173.92 3hle n GLY 366 N 1.88 -1.07 1.62 0.20 0.00 -1.26 -1.59 105.19 104.97 3hle n GLY 366 Ca -0.21 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 3hle n GLY 366 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hle n PRO 367 N -4.74 1.00 -2.98 1.61 -0.04 -1.26 -2.65 135.00 125.93 3hle n PRO 367 Ca 0.05 -0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 3hle n PRO 367 Cb 0.20 -1.17 0.04 0.00 -0.04 0.00 0.00 33.50 32.52 3hle n PRO 367 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hle n ASN 368 N 1.69 -5.09 -4.73 3.54 3.02 -0.94 -2.61 115.26 110.13 3hle n ASN 368 Ca 0.05 -0.28 -0.39 0.00 -0.03 0.00 0.00 54.58 53.94 3hle n ASN 368 Cb 0.49 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 3hle n ASN 368 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hle s ILE 369 N -3.09 5.09 -0.04 2.41 1.01 -0.62 -3.97 121.20 121.99 3hle s ILE 369 Ca 0.30 1.15 0.02 0.00 0.00 0.00 0.00 60.65 62.11 3hle s ILE 369 Cb -0.13 -3.90 0.02 0.00 0.01 0.00 0.00 42.46 38.45 3hle s ILE 369 CO 0.37 0.33 -0.07 -0.69 0.00 0.00 0.00 174.94 174.87 3hle s VAL 370 N 0.46 0.71 0.12 2.92 1.01 -0.31 -1.24 120.40 124.07 3hle s VAL 370 Ca 0.30 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.11 3hle s VAL 370 Cb -0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3hle s VAL 370 CO 0.14 0.25 -0.20 -1.66 0.00 0.00 0.00 175.10 173.63 3hle s TRP 371 N 0.66 1.78 -0.03 5.22 1.48 -0.85 -1.17 118.94 126.03 3hle s TRP 371 Ca -0.10 -0.44 -0.19 0.00 -1.06 0.00 0.00 56.10 54.31 3hle s TRP 371 Cb -0.13 -0.95 0.04 0.00 -1.16 0.00 0.00 33.47 31.26 3hle s TRP 371 CO 0.01 0.24 0.41 1.14 -4.06 0.00 0.00 176.95 174.69 3hle s GLN 372 N -2.18 0.76 -0.10 3.25 1.03 -0.62 -2.49 119.66 119.31 3hle s GLN 372 Ca 0.09 -0.03 0.02 0.00 0.04 0.00 0.00 55.36 55.47 3hle s GLN 372 Cb -0.09 0.34 0.02 0.00 0.03 0.00 0.00 33.01 33.31 3hle s GLN 372 CO 0.05 -0.21 -0.14 0.42 -2.54 0.00 0.00 175.29 172.86 3hle s ILE 373 N -1.20 1.40 -0.55 3.63 1.01 0.21 -1.59 121.20 124.11 3hle s ILE 373 Ca -0.12 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3hle s ILE 373 Cb -0.04 -1.29 0.14 0.00 0.01 0.00 0.00 42.46 41.28 3hle s ILE 373 CO 0.05 0.42 0.32 -0.62 0.00 0.00 0.00 174.94 175.12 3hle s ASP 374 N 1.00 4.20 0.20 3.58 -1.08 0.30 -0.74 116.67 124.12 3hle s ASP 374 Ca -0.07 -3.16 -0.11 0.00 -0.52 0.00 0.00 52.55 48.69 3hle s ASP 374 Cb -0.15 -1.47 0.20 0.00 -1.46 0.00 0.00 42.92 40.04 3hle s ASP 374 CO -0.01 -0.20 1.80 -0.65 0.52 0.00 0.00 175.17 176.63 3hle h PRO 375 N 6.22 0.59 -0.81 4.34 0.11 -1.83 0.26 132.00 140.88 3hle h PRO 375 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3hle h PRO 375 Cb 0.86 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.80 3hle h PRO 375 CO 0.64 0.39 0.39 -0.22 -0.21 0.00 0.00 178.00 178.99 3hle h LYS 376 N 0.61 1.17 0.00 1.05 3.64 -1.91 -2.44 116.57 118.69 3hle h LYS 376 Ca 0.27 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3hle h LYS 376 Cb 0.16 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3hle h LYS 376 CO -0.17 0.90 -0.02 0.00 -2.27 0.00 0.00 179.45 177.89 3hle h ALA 377 N 1.26 0.99 -0.51 5.00 0.00 -1.81 -3.48 119.26 120.72 3hle h ALA 377 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3hle h ALA 377 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hle h ALA 377 CO -0.04 0.00 -0.10 0.41 0.00 0.00 0.00 179.25 179.53 3hle n GLY 378 N 1.17 0.28 3.14 0.00 0.00 0.04 -4.02 105.19 105.81 3hle n GLY 378 Ca 0.04 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 3hle n GLY 378 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hle s LEU 379 N -1.11 2.24 0.06 0.99 1.43 -1.05 -4.00 118.68 117.24 3hle s LEU 379 Ca 0.00 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3hle s LEU 379 Cb 0.00 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 3hle s LEU 379 CO 0.00 -0.06 -0.14 0.00 0.23 0.00 0.00 176.35 176.38 3hle s THR 381 N -1.13 0.13 -0.04 0.00 -4.23 -0.62 -1.32 115.64 108.43 3hle s THR 381 Ca -0.01 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3hle s THR 381 Cb -0.09 -0.86 0.02 0.00 1.34 0.00 0.00 72.50 72.91 3hle s THR 381 CO 0.02 -0.61 0.10 -0.22 -0.54 0.00 0.00 174.62 173.37 3hle s LEU 382 N -2.08 1.22 -0.16 4.79 2.96 -0.13 -1.58 118.68 123.70 3hle s LEU 382 Ca -0.06 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 3hle s LEU 382 Cb -0.02 0.25 0.03 0.00 0.50 0.00 0.00 46.19 46.96 3hle s LEU 382 CO -0.04 -0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 174.78 3hle s ALA 383 N 0.64 1.81 -0.21 5.97 0.00 -0.32 -0.97 121.76 128.69 3hle s ALA 383 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3hle s ALA 383 Cb -0.07 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3hle s ALA 383 CO -0.03 -0.52 -0.13 -0.06 0.00 0.00 0.00 175.76 175.03 3hle s PHE 384 N 1.50 2.90 0.43 0.00 0.40 0.22 -1.16 117.98 122.27 3hle s PHE 384 Ca 0.03 -1.43 0.06 0.00 -0.60 0.00 0.00 56.93 54.99 3hle s PHE 384 Cb -0.14 -2.00 -0.06 0.00 0.51 0.00 0.00 43.02 41.33 3hle s PHE 384 CO -0.10 -0.72 0.01 -0.06 0.70 0.00 0.00 175.22 175.06 3hle s PHE 385 N 1.35 2.35 -0.45 0.36 0.08 -1.25 -1.14 117.98 119.27 3hle s PHE 385 Ca 0.04 -0.75 0.09 0.00 0.12 0.00 0.00 56.93 56.43 3hle s PHE 385 Cb -0.14 -1.71 0.34 0.00 -0.57 0.00 0.00 43.02 40.94 3hle s PHE 385 CO -0.08 0.37 0.80 1.04 -0.10 0.00 0.00 175.22 177.25 3hle n GLN 386 N -1.01 1.82 -3.86 0.44 1.13 -1.22 -4.59 117.38 110.10 3hle n GLN 386 Ca -0.08 -3.95 -0.21 0.00 -1.94 0.00 0.00 57.00 50.83 3hle n GLN 386 Cb 0.67 -1.89 -0.17 0.00 0.11 0.00 0.00 30.24 28.96 3hle n GLN 386 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3hle s LEU 387 N -2.75 0.78 0.21 1.08 2.96 -1.07 -2.14 118.68 117.75 3hle s LEU 387 Ca 0.43 -0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.33 3hle s LEU 387 Cb 0.31 -0.36 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 3hle s LEU 387 CO -0.10 -0.16 0.25 -1.61 -1.32 0.00 0.00 176.35 173.41 3hle s GLU 388 N 1.62 3.17 0.63 1.98 0.41 0.08 -3.39 118.70 123.20 3hle s GLU 388 Ca -0.01 -0.85 -0.09 0.00 -0.41 0.00 0.00 54.97 53.61 3hle s GLU 388 Cb -0.13 -2.75 -0.01 0.00 -1.78 0.00 0.00 34.13 29.46 3hle s GLU 388 CO -0.03 0.45 0.99 -1.25 -0.49 0.00 0.00 175.26 174.93 3hle s PRO 389 N -3.65 3.13 0.62 0.39 0.04 -1.26 -0.84 135.00 133.43 3hle s PRO 389 Ca 0.33 0.38 -0.17 0.00 0.04 0.00 0.00 61.00 61.58 3hle s PRO 389 Cb -0.09 -2.14 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 3hle s PRO 389 CO 0.27 -0.74 0.43 1.87 0.04 0.00 0.00 177.00 178.86 3hle n TRP 390 N -2.75 -1.04 -2.59 0.56 -0.00 -1.08 -3.45 117.44 107.09 3hle n TRP 390 Ca 0.05 0.40 -0.14 0.00 -0.00 0.00 0.00 57.50 57.81 3hle n TRP 390 Cb 0.56 -1.90 0.01 0.00 -0.00 0.00 0.00 31.31 29.98 3hle n TRP 390 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 3hle n ASN 391 N 0.52 -4.38 -4.69 5.87 5.15 -1.26 -4.97 115.26 111.50 3hle n ASN 391 Ca 0.10 -0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.53 3hle n ASN 391 Cb 0.48 -3.35 -0.03 0.00 -0.53 0.00 0.00 39.78 36.35 3hle n ASN 391 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hle s ASP 392 N -2.69 6.78 0.26 1.20 -1.08 -1.22 -4.92 116.67 114.99 3hle s ASP 392 Ca 0.13 2.22 -0.03 0.00 -0.52 0.00 0.00 52.55 54.36 3hle s ASP 392 Cb -0.06 -2.56 0.45 0.00 -1.46 0.00 0.00 42.92 39.29 3hle s ASP 392 CO 0.17 -0.77 1.81 -0.65 0.52 0.00 0.00 175.17 176.25 3hle h PRO 393 N 7.99 0.80 -0.42 4.34 0.11 -1.93 -0.22 132.00 142.66 3hle h PRO 393 Ca -0.39 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3hle h PRO 393 Cb 1.18 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3hle h PRO 393 CO 0.91 0.53 0.20 0.28 -0.21 0.00 0.00 178.00 179.71 3hle h VAL 394 N 0.82 1.18 -0.30 3.15 2.07 -1.97 -0.50 116.25 120.69 3hle h VAL 394 Ca 0.43 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3hle h VAL 394 Cb 0.43 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hle h VAL 394 CO -0.26 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.50 3hle h ARG 396 N 0.33 0.19 -0.51 0.00 2.43 -0.96 0.68 114.38 116.54 3hle h ARG 396 Ca 0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hle h ARG 396 Cb 0.46 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3hle h ARG 396 CO 0.02 0.13 0.25 -0.44 -1.51 0.00 0.00 179.97 178.41 3hle h ASP 397 N 0.20 0.67 -0.70 -3.80 3.32 -0.97 -0.75 116.42 114.39 3hle h ASP 397 Ca 0.13 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hle h ASP 397 Cb 0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 3hle h ASP 397 CO -0.15 0.61 0.42 -0.07 -1.72 0.00 0.00 179.24 178.32 3hle h LEU 398 N 0.68 0.85 -0.43 1.55 3.38 -1.01 -1.58 115.31 118.74 3hle h LEU 398 Ca 0.18 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hle h LEU 398 Cb 0.11 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3hle h LEU 398 CO -0.02 0.67 0.28 0.74 0.09 0.00 0.00 178.44 180.19 3hle h THR 399 N 0.95 1.12 -0.52 0.22 2.02 -0.51 -0.24 112.91 115.95 3hle h THR 399 Ca 0.25 -0.23 0.02 0.00 0.77 0.00 0.00 66.41 67.22 3hle h THR 399 Cb -0.02 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3hle h THR 399 CO -0.05 0.11 0.33 0.03 0.37 0.00 0.00 175.52 176.32 3hle h ARG 400 N 0.58 0.64 -0.57 6.66 3.08 -1.01 -1.07 114.38 122.69 3hle h ARG 400 Ca 0.16 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hle h ARG 400 Cb -0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3hle h ARG 400 CO -0.03 0.43 0.34 1.15 -1.07 0.00 0.00 179.97 180.79 3hle h THR 401 N 0.66 1.17 0.32 2.04 2.02 -0.95 -0.17 112.91 118.00 3hle h THR 401 Ca 0.20 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3hle h THR 401 Cb -0.02 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3hle h THR 401 CO -0.07 0.17 -0.31 0.15 0.37 0.00 0.00 175.52 175.83 3hle h PHE 402 N 0.76 -0.82 -0.55 3.16 3.57 -0.82 -1.68 116.94 120.56 3hle h PHE 402 Ca 0.20 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3hle h PHE 402 Cb -0.02 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3hle h PHE 402 CO -0.02 -0.44 0.30 0.93 -2.23 0.00 0.00 178.31 176.85 3hle h GLU 403 N -0.65 0.76 -0.44 1.11 5.08 -1.02 -1.93 114.58 117.49 3hle h GLU 403 Ca -0.02 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3hle h GLU 403 Cb 0.59 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3hle h GLU 403 CO -0.05 0.58 0.18 0.45 -1.00 0.00 0.00 179.01 179.16 3hle h HIS 404 N 0.73 0.32 -0.35 4.33 3.86 -0.99 -1.01 115.15 122.04 3hle h HIS 404 Ca 0.19 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3hle h HIS 404 Cb 0.04 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 3hle h HIS 404 CO -0.02 0.13 0.16 0.00 0.86 0.00 0.00 177.93 179.07 3hle h ALA 405 N 1.27 0.45 -0.33 2.45 0.00 -1.02 0.47 119.26 122.55 3hle h ALA 405 Ca 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hle h ALA 405 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hle h ALA 405 CO -0.18 0.03 0.09 0.82 0.00 0.00 0.00 179.25 180.01 3hle h ILE 406 N 0.42 1.21 -0.38 0.00 1.08 -1.20 -0.82 117.51 117.83 3hle h ILE 406 Ca 0.12 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3hle h ILE 406 Cb 0.15 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 3hle h ILE 406 CO -0.01 0.24 0.25 1.88 -0.69 0.00 0.00 178.15 179.82 3hle h TYR 407 N 0.38 0.48 -0.90 1.37 0.05 -1.12 0.25 116.97 117.47 3hle h TYR 407 Ca 0.11 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 3hle h TYR 407 Cb 0.27 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.81 3hle h TYR 407 CO 0.01 0.30 0.54 0.00 -1.05 0.00 0.00 178.16 177.96 3hle h ALA 408 N 1.14 1.15 0.01 3.88 0.00 -0.58 -2.13 119.26 122.73 3hle h ALA 408 Ca 0.14 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.66 3hle h ALA 408 Cb -0.06 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.32 3hle h ALA 408 CO -0.03 0.61 -1.71 0.94 0.00 0.00 0.00 179.25 179.06 3hle n GLN 409 N -4.39 0.64 0.00 0.00 7.27 -0.34 -4.70 117.38 115.86 3hle n GLN 409 Ca 0.10 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3hle n GLN 409 Cb 0.06 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 30.91 3hle n GLN 409 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3hle n TYR 410 N -3.07 0.00 -2.15 3.69 4.02 0.85 -5.03 117.16 115.47 3hle n TYR 410 Ca -0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.31 3hle n TYR 410 Cb 1.05 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 40.34 3hle n TYR 410 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3hle s GLN 411 N -0.37 4.36 0.00 -0.72 -2.07 -0.81 -4.98 119.66 115.07 3hle s GLN 411 Ca 0.00 2.14 0.11 0.00 -1.82 0.00 0.00 55.36 55.79 3hle s GLN 411 Cb 0.00 -3.15 0.09 0.00 -1.09 0.00 0.00 33.01 28.86 3hle s GLN 411 CO 0.00 -0.27 0.84 0.94 -1.32 0.00 0.00 175.29 175.49