#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1d s THR 12 N 0.00 4.57 0.39 -0.99 2.01 -1.26 -5.09 115.64 115.27 1d1d s THR 12 Ca 0.00 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 61.55 1d1d s THR 12 Cb 0.00 -2.97 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 1d1d s THR 12 CO 0.00 0.56 1.06 -2.16 -0.69 0.00 0.00 174.62 173.39 1d1d s PRO 13 N -1.06 4.20 0.21 4.92 0.04 -1.26 -4.97 135.00 137.08 1d1d s PRO 13 Ca 0.15 1.55 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 1d1d s PRO 13 Cb -0.12 -2.60 -0.11 0.00 0.04 0.00 0.00 34.50 31.71 1d1d s PRO 13 CO 0.05 -0.12 1.61 -1.17 0.04 0.00 0.00 177.00 177.41 1d1d s LEU 14 N -2.53 4.37 -0.28 -3.56 2.96 -1.26 -4.94 118.68 113.44 1d1d s LEU 14 Ca 0.57 2.77 -0.25 0.00 -0.22 0.00 0.00 54.13 57.00 1d1d s LEU 14 Cb -0.23 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.85 1d1d s LEU 14 CO 0.29 -0.88 0.86 -1.83 -1.32 0.00 0.00 176.35 173.47 1d1d s GLU 15 N 0.67 4.08 0.35 1.98 1.03 -1.26 -4.91 118.70 120.64 1d1d s GLU 15 Ca 0.69 0.84 0.18 0.00 0.03 0.00 0.00 54.97 56.71 1d1d s GLU 15 Cb -0.46 -3.69 0.50 0.00 -0.80 0.00 0.00 34.13 29.67 1d1d s GLU 15 CO 0.36 -0.65 1.64 -1.00 -1.33 0.00 0.00 175.26 174.29 1d1d h PRO 16 N 7.91 0.00 -0.48 -4.83 0.13 -1.99 -3.16 132.00 129.59 1d1d h PRO 16 Ca -0.23 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.94 1d1d h PRO 16 Cb 1.09 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1d1d h PRO 16 CO 0.91 0.39 0.25 1.57 -0.23 0.00 0.00 178.00 180.89 1d1d h LYS 17 N 0.00 0.47 -0.17 0.86 2.10 -1.98 1.69 116.57 119.55 1d1d h LYS 17 Ca -0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 1d1d h LYS 17 Cb 1.05 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.27 1d1d h LYS 17 CO 0.05 0.31 0.07 -0.07 -2.00 0.00 0.00 179.45 177.81 1d1d h LEU 18 N 0.49 0.23 -1.06 7.07 3.38 -1.97 -1.18 115.31 122.26 1d1d h LEU 18 Ca 0.21 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1d1d h LEU 18 Cb 0.10 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1d1d h LEU 18 CO -0.14 0.33 0.14 0.40 0.09 0.00 0.00 178.44 179.26 1d1d h ILE 19 N 0.12 1.22 -0.78 1.22 2.04 -1.37 -1.98 117.51 117.97 1d1d h ILE 19 Ca 0.06 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1d1d h ILE 19 Cb 0.17 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1d1d h ILE 19 CO -0.00 0.29 0.51 0.74 0.00 0.00 0.00 178.15 179.69 1d1d h THR 20 N 0.79 1.21 -0.11 -0.27 2.02 0.30 0.54 112.91 117.39 1d1d h THR 20 Ca 0.18 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1d1d h THR 20 Cb 0.28 0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 1d1d h THR 20 CO -0.00 0.20 0.03 0.03 0.37 0.00 0.00 175.52 176.15 1d1d h ARG 21 N 1.07 0.17 -0.63 6.66 3.08 -0.49 0.46 114.38 124.70 1d1d h ARG 21 Ca 0.29 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.20 1d1d h ARG 21 Cb -0.10 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1d1d h ARG 21 CO -0.06 0.33 0.02 -0.07 -1.07 0.00 0.00 179.97 179.11 1d1d h LEU 22 N -0.02 1.07 -1.19 3.04 3.38 -1.03 -2.24 115.31 118.33 1d1d h LEU 22 Ca 0.03 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 1d1d h LEU 22 Cb 0.23 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1d1d h LEU 22 CO -0.00 1.10 -0.18 0.00 0.09 0.00 0.00 178.44 179.45 1d1d h ALA 23 N 1.00 1.32 -0.69 1.53 0.00 0.27 -2.01 119.26 120.68 1d1d h ALA 23 Ca 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1d1d h ALA 23 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1d1d h ALA 23 CO 0.03 0.46 0.33 -0.44 0.00 0.00 0.00 179.25 179.63 1d1d h ASP 24 N 0.32 0.87 -0.32 0.00 3.32 0.50 -1.80 116.42 119.31 1d1d h ASP 24 Ca 0.06 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 1d1d h ASP 24 Cb 0.51 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1d1d h ASP 24 CO 0.03 0.74 -0.16 0.74 -1.72 0.00 0.00 179.24 178.87 1d1d h THR 25 N 0.97 1.26 -0.42 0.35 2.02 -0.97 -2.02 112.91 114.10 1d1d h THR 25 Ca 0.24 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.20 1d1d h THR 25 Cb 0.09 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1d1d h THR 25 CO -0.03 0.42 0.22 0.58 0.37 0.00 0.00 175.52 177.08 1d1d h VAL 26 N 0.69 0.98 -0.10 3.16 2.07 -0.92 1.30 116.25 123.43 1d1d h VAL 26 Ca 0.11 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1d1d h VAL 26 Cb 0.66 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1d1d h VAL 26 CO 0.05 0.08 0.06 -0.09 0.02 0.00 0.00 177.57 177.68 1d1d h ARG 27 N 0.44 0.14 -0.16 1.57 1.12 -1.21 1.46 114.38 117.74 1d1d h ARG 27 Ca 0.18 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.96 1d1d h ARG 27 Cb 0.07 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1d1d h ARG 27 CO -0.12 0.17 -0.21 1.79 -3.11 0.00 0.00 179.97 178.49 1d1d h THR 28 N 0.07 1.23 0.00 0.20 1.35 -0.89 -1.41 112.91 113.46 1d1d h THR 28 Ca 0.04 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1d1d h THR 28 Cb 0.07 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1d1d h THR 28 CO -0.01 0.32 -0.32 0.29 -0.25 0.00 0.00 175.52 175.55 1d1d n LYS 29 N -4.19 0.19 -0.16 4.72 4.76 0.44 -5.02 118.16 118.91 1d1d n LYS 29 Ca -0.01 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 1d1d n LYS 29 Cb 0.34 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1d1d n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d1d n GLY 30 N 1.38 -1.22 0.20 0.72 0.00 0.50 -4.37 105.19 102.40 1d1d n GLY 30 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 45.03 1d1d n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d1d h LEU 31 N 0.00 0.13 -1.41 0.99 5.85 -1.75 -1.52 115.31 117.60 1d1d h LEU 31 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1d1d h LEU 31 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1d1d h LEU 31 CO 0.00 0.46 0.00 0.54 -0.34 0.00 0.00 178.44 179.10 1d1d n ARG 32 N -4.11 1.95 -3.72 1.25 1.74 -1.26 -4.79 116.66 107.71 1d1d n ARG 32 Ca -0.01 -1.40 -0.21 0.00 -0.77 0.00 0.00 57.85 55.45 1d1d n ARG 32 Cb 0.40 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 1d1d n ARG 32 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1d1d s SER 33 N -1.78 6.22 -0.51 0.55 0.15 -0.57 -5.02 113.70 112.73 1d1d s SER 33 Ca 0.34 0.09 -0.28 0.00 0.70 0.00 0.00 55.95 56.81 1d1d s SER 33 Cb 0.20 -1.75 0.01 0.00 -1.71 0.00 0.00 66.02 62.77 1d1d s SER 33 CO 0.30 -0.21 1.47 -2.16 1.20 0.00 0.00 173.24 173.84 1d1d s PRO 34 N -4.10 3.33 0.00 5.44 0.04 -1.26 -3.49 135.00 134.96 1d1d s PRO 34 Ca 0.38 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1d1d s PRO 34 Cb -0.09 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1d1d s PRO 34 CO 0.31 -1.88 0.00 -0.89 0.04 0.00 0.00 177.00 174.58 1d1d n ILE 35 N 6.98 0.00 -0.04 0.56 2.08 -1.26 -5.00 119.36 122.69 1d1d n ILE 35 Ca 0.15 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.36 1d1d n ILE 35 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.35 1d1d n ILE 35 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1d1d h THR 36 N 0.00 0.96 -0.25 1.39 2.02 -1.77 0.42 112.91 115.68 1d1d h THR 36 Ca 0.00 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1d1d h THR 36 Cb 0.00 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1d1d h THR 36 CO 0.00 0.03 -0.04 0.24 0.37 0.00 0.00 175.52 176.12 1d1d h MET 37 N 0.16 0.38 0.11 6.66 2.86 -1.92 0.39 114.93 123.57 1d1d h MET 37 Ca 0.08 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1d1d h MET 37 Cb 0.05 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1d1d h MET 37 CO -0.08 0.45 -0.05 0.00 1.06 0.00 0.00 176.91 178.28 1d1d h ALA 38 N 1.59 -0.15 -0.27 6.32 0.00 -1.75 0.12 119.26 125.13 1d1d h ALA 38 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1d1d h ALA 38 Cb 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1d1d h ALA 38 CO 0.01 -0.33 0.16 0.93 0.00 0.00 0.00 179.25 180.02 1d1d h GLU 39 N -0.66 0.37 -0.33 0.00 3.07 0.01 -0.79 114.58 116.24 1d1d h GLU 39 Ca -0.02 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1d1d h GLU 39 Cb 0.51 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 1d1d h GLU 39 CO 0.02 0.30 0.22 0.28 -1.40 0.00 0.00 179.01 178.43 1d1d h VAL 40 N 0.33 1.07 -0.01 3.13 2.07 -0.27 -0.32 116.25 122.25 1d1d h VAL 40 Ca 0.10 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1d1d h VAL 40 Cb 0.03 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1d1d h VAL 40 CO -0.02 0.08 0.02 -0.33 0.02 0.00 0.00 177.57 177.34 1d1d h GLU 41 N 0.44 0.00 0.37 1.57 5.08 -0.42 0.99 114.58 122.61 1d1d h GLU 41 Ca 0.12 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1d1d h GLU 41 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1d1d h GLU 41 CO -0.03 0.00 -0.18 0.00 -1.00 0.00 0.00 179.01 177.80 1d1d h ALA 42 N 1.98 -0.50 -0.17 3.43 0.00 0.43 1.36 119.26 125.79 1d1d h ALA 42 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 1d1d h ALA 42 Cb 0.04 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1d1d h ALA 42 CO -0.00 -0.59 -0.38 1.37 0.00 0.00 0.00 179.25 179.65 1d1d h LEU 43 N -0.87 0.63 -0.07 0.00 8.10 -1.02 -2.85 115.31 119.23 1d1d h LEU 43 Ca -0.05 -0.56 0.00 0.00 0.11 0.00 0.00 57.88 57.38 1d1d h LEU 43 Cb 0.54 -0.18 0.00 0.00 -0.44 0.00 0.00 40.66 40.58 1d1d h LEU 43 CO 0.08 1.07 0.00 0.23 -4.11 0.00 0.00 178.44 175.72 1d1d n MET 44 N -4.29 0.04 -0.26 0.17 2.81 0.34 -3.72 117.12 112.21 1d1d n MET 44 Ca -0.06 0.18 0.21 0.00 -1.81 0.00 0.00 57.70 56.22 1d1d n MET 44 Cb 0.52 -1.56 0.40 0.00 -0.71 0.00 0.00 33.22 31.87 1d1d n MET 44 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1d1d n SER 45 N -1.63 0.17 -4.96 7.83 2.88 0.46 -4.27 113.62 114.10 1d1d n SER 45 Ca 0.05 1.32 -0.19 0.00 -1.33 0.00 0.00 58.87 58.71 1d1d n SER 45 Cb 0.25 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 63.11 1d1d n SER 45 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1d1d s SER 46 N -4.73 5.83 0.48 -3.46 1.04 -1.24 -5.06 113.70 106.56 1d1d s SER 46 Ca -0.08 -0.25 -0.21 0.00 0.48 0.00 0.00 55.95 55.90 1d1d s SER 46 Cb 0.26 -1.18 -0.09 0.00 0.10 0.00 0.00 66.02 65.11 1d1d s SER 46 CO 0.61 -0.41 1.04 -2.16 0.98 0.00 0.00 173.24 173.30 1d1d s PRO 47 N -4.13 3.84 0.29 4.02 0.04 -1.26 -4.98 135.00 132.81 1d1d s PRO 47 Ca 0.44 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.79 1d1d s PRO 47 Cb -0.09 -2.14 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1d1d s PRO 47 CO 0.30 -0.40 0.44 -0.48 0.04 0.00 0.00 177.00 176.90 1d1d s LEU 48 N -3.40 0.73 0.65 -3.56 0.05 -1.26 -5.00 118.68 106.88 1d1d s LEU 48 Ca 0.66 -1.25 -0.11 0.00 0.05 0.00 0.00 54.13 53.49 1d1d s LEU 48 Cb -0.17 1.48 -0.02 0.00 -2.05 0.00 0.00 46.19 45.43 1d1d s LEU 48 CO 0.20 -1.19 1.05 -0.76 -0.55 0.00 0.00 176.35 175.10 1d1d s LEU 49 N -3.14 3.13 0.32 1.48 1.43 -1.26 -4.64 118.68 116.00 1d1d s LEU 49 Ca 0.28 1.31 0.16 0.00 -1.03 0.00 0.00 54.13 54.85 1d1d s LEU 49 Cb 0.00 -4.27 0.42 0.00 0.03 0.00 0.00 46.19 42.38 1d1d s LEU 49 CO 0.15 -1.02 1.61 1.55 0.23 0.00 0.00 176.35 178.86 1d1d h PRO 50 N -0.42 0.00 0.02 1.29 0.13 -1.93 -2.47 132.00 128.62 1d1d h PRO 50 Ca -0.44 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1d1d h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d1d h PRO 50 CO 0.63 0.47 -0.01 0.45 -0.23 0.00 0.00 178.00 179.31 1d1d h HIS 51 N 0.00 -0.02 -0.18 1.56 3.86 -1.90 -2.84 115.15 115.63 1d1d h HIS 51 Ca -0.00 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1d1d h HIS 51 Cb 1.11 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1d1d h HIS 51 CO 0.00 0.36 -0.08 -0.44 0.86 0.00 0.00 177.93 178.63 1d1d h ASP 52 N -0.41 0.26 -0.56 2.45 3.32 -1.96 -2.19 116.42 117.34 1d1d h ASP 52 Ca -0.00 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.09 1d1d h ASP 52 Cb 0.39 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 39.80 1d1d h ASP 52 CO 0.00 0.37 0.18 0.58 -1.72 0.00 0.00 179.24 178.66 1d1d h VAL 53 N 0.27 0.76 -0.41 -1.35 2.07 -1.24 0.59 116.25 116.94 1d1d h VAL 53 Ca 0.06 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.36 1d1d h VAL 53 Cb 0.31 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1d1d h VAL 53 CO 0.01 0.06 -0.16 0.71 0.02 0.00 0.00 177.57 178.22 1d1d h THR 54 N 0.35 1.26 -0.46 2.57 1.35 -1.18 0.45 112.91 117.25 1d1d h THR 54 Ca 0.28 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 1d1d h THR 54 Cb 0.35 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1d1d h THR 54 CO -0.30 0.42 0.15 -1.13 -0.25 0.00 0.00 175.52 174.41 1d1d h ASN 55 N 0.69 0.66 0.04 5.36 -1.24 -0.62 0.40 115.58 120.87 1d1d h ASN 55 Ca 0.11 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 1d1d h ASN 55 Cb 0.65 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.53 1d1d h ASN 55 CO 0.05 0.68 -0.02 0.25 -1.29 0.00 0.00 177.43 177.10 1d1d h LEU 56 N 0.60 -0.05 -1.90 0.34 5.85 0.33 -2.54 115.31 117.95 1d1d h LEU 56 Ca 0.15 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.49 1d1d h LEU 56 Cb 0.25 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1d1d h LEU 56 CO -0.01 0.44 0.23 0.24 -0.34 0.00 0.00 178.44 179.01 1d1d h MET 57 N -0.56 0.12 -0.28 1.25 2.86 -0.02 0.34 114.93 118.65 1d1d h MET 57 Ca -0.01 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1d1d h MET 57 Cb 0.50 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1d1d h MET 57 CO 0.01 0.08 -0.37 -0.09 1.06 0.00 0.00 176.91 177.60 1d1d h ARG 58 N 0.12 0.63 -0.26 1.72 2.43 -0.07 1.77 114.38 120.73 1d1d h ARG 58 Ca 0.15 -0.31 -0.16 0.00 -0.81 0.00 0.00 59.98 58.85 1d1d h ARG 58 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1d1d h ARG 58 CO -0.02 0.90 -0.46 0.28 -1.51 0.00 0.00 179.97 179.16 1d1d h VAL 59 N 0.52 1.30 0.00 0.20 2.07 -0.57 -3.24 116.25 116.53 1d1d h VAL 59 Ca 0.05 -1.66 -0.16 0.00 0.82 0.00 0.00 66.70 65.75 1d1d h VAL 59 Cb 0.88 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1d1d h VAL 59 CO 0.08 0.53 -0.62 0.40 0.02 0.00 0.00 177.57 177.98 1d1d h ILE 60 N 0.51 1.43 -3.32 4.57 2.04 -0.99 -3.44 117.51 118.31 1d1d h ILE 60 Ca 0.01 -2.10 -0.66 0.00 1.00 0.00 0.00 64.86 63.12 1d1d h ILE 60 Cb 1.06 2.61 -0.27 0.00 -0.74 0.00 0.00 36.82 39.49 1d1d h ILE 60 CO 0.10 0.61 -0.76 -0.76 0.00 0.00 0.00 178.15 177.35 1d1d s LEU 61 N -8.31 2.75 0.00 1.44 1.02 0.60 -5.01 118.68 111.16 1d1d s LEU 61 Ca -0.13 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.69 1d1d s LEU 61 Cb 0.03 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.62 1d1d s LEU 61 CO 0.83 0.14 0.00 0.61 0.02 0.00 0.00 176.35 177.95 1d1d n GLY 62 N 3.67 -3.55 0.21 -3.19 0.00 -1.25 -3.75 105.19 97.34 1d1d n GLY 62 Ca -0.18 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.70 1d1d n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1d h PRO 63 N 0.00 0.00 0.35 1.61 0.13 -1.96 -2.20 132.00 129.93 1d1d h PRO 63 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1d1d h PRO 63 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1d1d h PRO 63 CO 0.00 0.20 -0.17 0.00 -0.23 0.00 0.00 178.00 177.80 1d1d h ALA 64 N 1.80 -0.48 0.00 -0.56 0.00 -1.99 -3.11 119.26 114.93 1d1d h ALA 64 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1d1d h ALA 64 Cb 0.90 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1d1d h ALA 64 CO 0.03 -0.48 0.00 -0.35 0.00 0.00 0.00 179.25 178.44 1d1d n PRO 65 N -5.10 0.75 -0.03 0.00 -0.04 -1.23 -3.23 135.00 126.12 1d1d n PRO 65 Ca -0.08 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1d1d n PRO 65 Cb 0.24 -1.24 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1d1d n PRO 65 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1d1d h TYR 66 N 0.00 0.24 0.00 0.54 3.20 -1.32 -2.19 116.97 117.45 1d1d h TYR 66 Ca 0.00 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 1d1d h TYR 66 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1d1d h TYR 66 CO 0.00 0.97 -0.31 0.00 -1.64 0.00 0.00 178.16 177.18 1d1d h ALA 67 N 0.22 1.47 -0.20 1.82 0.00 -1.63 0.52 119.26 121.46 1d1d h ALA 67 Ca -0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1d1d h ALA 67 Cb 1.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1d1d h ALA 67 CO 0.05 0.39 -0.14 -0.07 0.00 0.00 0.00 179.25 179.48 1d1d h LEU 68 N 0.00 0.47 -0.55 0.00 4.07 -1.67 0.41 115.31 118.04 1d1d h LEU 68 Ca -0.00 -0.44 -0.16 0.00 0.08 0.00 0.00 57.88 57.36 1d1d h LEU 68 Cb 0.55 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1d1d h LEU 68 CO 0.04 0.81 -0.53 -0.25 -1.08 0.00 0.00 178.44 177.43 1d1d h TRP 69 N 0.14 0.67 -0.26 1.13 7.01 -0.99 -1.17 115.95 122.48 1d1d h TRP 69 Ca 0.04 -0.23 -0.11 0.00 2.11 0.00 0.00 58.89 60.70 1d1d h TRP 69 Cb 0.65 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1d1d h TRP 69 CO 0.07 0.95 -0.29 0.52 -2.79 0.00 0.00 178.44 176.90 1d1d h MET 70 N 0.42 0.52 -0.10 2.65 2.86 0.18 0.84 114.93 122.30 1d1d h MET 70 Ca 0.01 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 1d1d h MET 70 Cb 1.07 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 1d1d h MET 70 CO 0.10 0.75 -0.17 0.22 1.06 0.00 0.00 176.91 178.87 1d1d h ASP 71 N 0.45 0.32 -0.24 1.22 3.58 0.02 -1.71 116.42 120.06 1d1d h ASP 71 Ca 0.06 -0.54 -0.07 0.00 0.42 0.00 0.00 57.03 56.90 1d1d h ASP 71 Cb 0.73 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1d1d h ASP 71 CO 0.06 0.81 -0.12 0.00 -2.88 0.00 0.00 179.24 177.10 1d1d h ALA 72 N 0.53 0.34 -0.85 -0.78 0.00 -1.11 -2.50 119.26 114.90 1d1d h ALA 72 Ca 0.01 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.75 1d1d h ALA 72 Cb 0.74 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 1d1d h ALA 72 CO 0.04 0.20 0.44 2.35 0.00 0.00 0.00 179.25 182.28 1d1d h TRP 73 N 0.23 0.77 -0.88 0.00 7.01 0.69 0.50 115.95 124.26 1d1d h TRP 73 Ca 0.05 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.09 1d1d h TRP 73 Cb 0.63 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.43 1d1d h TRP 73 CO 0.06 0.19 0.57 0.78 -2.79 0.00 0.00 178.44 177.26 1d1d h GLY 74 N 0.63 1.25 0.76 2.65 0.00 -1.05 0.52 103.07 107.83 1d1d h GLY 74 Ca 0.46 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1d1d h GLY 74 CO -0.36 0.47 -0.06 -2.08 0.00 0.00 0.00 176.54 174.51 1d1d h VAL 75 N 1.20 1.30 -0.66 4.60 2.07 -0.20 0.15 116.25 124.72 1d1d h VAL 75 Ca 0.32 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1d1d h VAL 75 Cb -0.12 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1d1d h VAL 75 CO -0.07 0.32 0.32 1.56 0.02 0.00 0.00 177.57 179.72 1d1d h GLN 76 N -0.00 0.92 -0.23 1.57 1.08 0.22 0.42 115.11 119.08 1d1d h GLN 76 Ca 0.04 -0.12 -0.16 0.00 -1.45 0.00 0.00 58.65 56.96 1d1d h GLN 76 Cb 0.52 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 1d1d h GLN 76 CO 0.02 0.71 -0.51 -0.07 -0.95 0.00 0.00 178.83 178.02 1d1d h LEU 77 N 0.92 0.72 -0.35 1.46 3.38 0.20 -1.86 115.31 119.78 1d1d h LEU 77 Ca 0.23 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.69 1d1d h LEU 77 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1d1d h LEU 77 CO -0.03 1.10 -0.32 1.56 0.09 0.00 0.00 178.44 180.84 1d1d h GLN 78 N 0.51 0.84 -0.30 1.13 4.20 0.12 -2.57 115.11 119.04 1d1d h GLN 78 Ca 0.02 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 1d1d h GLN 78 Cb 1.07 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1d1d h GLN 78 CO 0.10 1.07 -0.01 0.00 -0.67 0.00 0.00 178.83 179.33 1d1d h THR 79 N 0.63 1.18 -0.29 -0.54 1.03 -0.11 0.48 112.91 115.29 1d1d h THR 79 Ca 0.06 -0.73 -0.03 0.00 -0.01 0.00 0.00 66.41 65.70 1d1d h THR 79 Cb 0.90 0.97 -0.01 0.00 -1.07 0.00 0.00 68.15 68.94 1d1d h THR 79 CO 0.08 0.25 0.07 0.58 -0.01 0.00 0.00 175.52 176.49 1d1d h VAL 80 N 0.45 1.22 -0.09 0.00 2.07 -1.15 0.61 116.25 119.36 1d1d h VAL 80 Ca 0.10 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1d1d h VAL 80 Cb 0.31 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1d1d h VAL 80 CO 0.01 0.24 -0.08 0.40 0.02 0.00 0.00 177.57 178.16 1d1d h ILE 81 N 0.30 1.36 -0.27 4.57 5.03 -1.04 -1.12 117.51 126.34 1d1d h ILE 81 Ca 0.09 -1.22 0.04 0.00 -0.12 0.00 0.00 64.86 63.65 1d1d h ILE 81 Cb 0.29 1.98 -0.04 0.00 -3.03 0.00 0.00 36.82 36.02 1d1d h ILE 81 CO 0.00 0.34 0.04 0.00 -0.68 0.00 0.00 178.15 177.85 1d1d h ALA 82 N 0.58 0.27 -0.39 1.87 0.00 0.02 0.54 119.26 122.15 1d1d h ALA 82 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1d1d h ALA 82 Cb 0.58 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1d1d h ALA 82 CO 0.02 -0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.03 1d1d h ALA 83 N 1.21 0.45 -0.16 0.00 0.00 0.25 0.26 119.26 121.27 1d1d h ALA 83 Ca 0.13 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1d1d h ALA 83 Cb 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1d1d h ALA 83 CO -0.18 -0.26 0.09 0.00 0.00 0.00 0.00 179.25 178.90 1d1d h ALA 84 N 1.25 0.19 -0.15 0.00 0.00 -0.34 0.12 119.26 120.34 1d1d h ALA 84 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1d1d h ALA 84 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1d1d h ALA 84 CO -0.19 -0.34 0.11 1.15 0.00 0.00 0.00 179.25 179.98 1d1d h THR 85 N 0.18 0.94 -0.01 0.00 2.02 0.83 -0.69 112.91 116.19 1d1d h THR 85 Ca 0.06 -0.01 -0.23 0.00 0.77 0.00 0.00 66.41 67.00 1d1d h THR 85 Cb 0.00 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1d1d h THR 85 CO -0.04 0.01 -0.93 -0.09 0.37 0.00 0.00 175.52 174.84 1d1d h ARG 86 N 0.04 0.47 -3.67 6.66 2.43 0.78 -3.43 114.38 117.65 1d1d h ARG 86 Ca 0.07 -0.49 -0.43 0.00 -0.81 0.00 0.00 59.98 58.32 1d1d h ARG 86 Cb 0.24 0.13 -0.38 0.00 -0.42 0.00 0.00 29.97 29.54 1d1d h ARG 86 CO -0.00 1.13 -0.76 0.34 -1.51 0.00 0.00 179.97 179.16 1d1d s ASP 87 N -7.10 1.54 -0.67 -3.80 -1.08 0.31 -5.03 116.67 100.83 1d1d s ASP 87 Ca -0.07 -0.07 -0.06 0.00 -0.52 0.00 0.00 52.55 51.83 1d1d s ASP 87 Cb 0.09 -0.42 -0.13 0.00 -1.46 0.00 0.00 42.92 41.00 1d1d s ASP 87 CO 0.87 -0.20 2.64 -0.81 0.52 0.00 0.00 175.17 178.20 1d1d n PRO 88 N 5.14 2.20 -0.14 4.34 -0.04 -1.20 -3.43 135.00 141.88 1d1d n PRO 88 Ca -0.07 -1.31 0.01 0.00 -0.04 0.00 0.00 63.50 62.08 1d1d n PRO 88 Cb 0.50 -2.27 0.01 0.00 -0.04 0.00 0.00 33.50 31.70 1d1d n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1d1d n ARG 89 N 3.35 0.45 -3.30 0.54 3.00 -1.26 -5.07 116.66 114.36 1d1d n ARG 89 Ca 0.47 -0.89 -0.38 0.00 -0.01 0.00 0.00 57.85 57.04 1d1d n ARG 89 Cb 0.41 -0.62 -0.06 0.00 0.00 0.00 0.00 32.46 32.18 1d1d n ARG 89 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1d1d s HIS 90 N -0.30 3.73 -0.09 -1.55 3.76 -1.22 -4.96 115.29 114.64 1d1d s HIS 90 Ca 0.02 1.16 0.25 0.00 -0.15 0.00 0.00 55.06 56.34 1d1d s HIS 90 Cb 0.02 -2.49 0.74 0.00 1.11 0.00 0.00 32.58 31.95 1d1d s HIS 90 CO 0.00 0.49 1.75 -1.00 -0.85 0.00 0.00 174.74 175.13 1d1d h PRO 91 N 5.11 0.00 0.00 8.40 0.13 -1.96 -2.87 132.00 140.81 1d1d h PRO 91 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1d1d h PRO 91 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d1d h PRO 91 CO 0.66 0.13 -0.04 0.00 -0.23 0.00 0.00 178.00 178.53 1d1d h ALA 92 N 1.87 1.27 -2.54 -0.56 0.00 -1.93 -3.42 119.26 113.94 1d1d h ALA 92 Ca -0.00 -0.03 -0.54 0.00 0.00 0.00 0.00 54.91 54.33 1d1d h ALA 92 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1d1d h ALA 92 CO 0.02 0.05 -0.36 0.54 0.00 0.00 0.00 179.25 179.49 1d1d s ASN 93 N -5.86 6.38 0.00 0.00 2.20 -1.09 -4.36 114.94 112.21 1d1d s ASN 93 Ca -0.04 0.36 0.00 0.00 -0.94 0.00 0.00 52.86 52.24 1d1d s ASN 93 Cb 0.13 -1.99 0.00 0.00 -2.00 0.00 0.00 41.25 37.39 1d1d s ASN 93 CO 0.52 -0.02 0.00 0.61 -2.94 0.00 0.00 177.10 175.28 1d1d n GLY 94 N -0.59 3.12 2.07 0.45 0.00 -1.25 -4.86 105.19 104.13 1d1d n GLY 94 Ca -0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1d1d n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d1d n GLN 95 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.88 117.38 112.85 1d1d n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1d1d n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1d1d n GLN 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1d1d n GLY 96 N 0.35 3.39 0.00 1.69 0.00 -1.26 -4.93 105.19 104.43 1d1d n GLY 96 Ca 0.00 -0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1d1d n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d1d n ARG 97 N 0.00 0.91 -0.12 1.61 0.63 -1.26 -3.64 116.66 114.79 1d1d n ARG 97 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 1d1d n ARG 97 Cb 0.00 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.34 1d1d n ARG 97 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1d1d n GLY 98 N 0.87 -0.49 3.63 5.14 0.00 -1.26 -5.02 105.19 108.06 1d1d n GLY 98 Ca 0.22 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1d1d n GLY 98 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1d1d n GLU 99 N -4.34 -6.25 -4.40 1.61 2.13 -1.24 -4.94 120.64 103.20 1d1d n GLU 99 Ca -0.37 0.74 -0.30 0.00 0.66 0.00 0.00 57.16 57.89 1d1d n GLU 99 Cb 0.72 -5.61 -0.17 0.00 0.27 0.00 0.00 31.44 26.66 1d1d n GLU 99 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1d1d s ARG 100 N -5.96 2.50 0.84 5.31 3.00 -1.26 -3.80 118.95 119.59 1d1d s ARG 100 Ca 0.24 -0.66 -0.11 0.00 -1.00 0.00 0.00 55.73 54.20 1d1d s ARG 100 Cb -0.11 -2.12 0.10 0.00 0.00 0.00 0.00 34.95 32.81 1d1d s ARG 100 CO 0.77 -0.10 1.09 -0.08 0.00 0.00 0.00 175.30 176.99 1d1d s THR 101 N 1.06 2.95 -0.02 4.11 -1.32 -1.26 -4.56 115.64 116.60 1d1d s THR 101 Ca -0.04 0.31 -0.06 0.00 -1.21 0.00 0.00 61.69 60.69 1d1d s THR 101 Cb -0.14 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 68.00 1d1d s THR 101 CO -0.04 -0.40 0.13 0.20 -2.21 0.00 0.00 174.62 172.30 1d1d s ASN 102 N -3.51 -0.04 0.08 8.08 -0.87 -1.26 -4.99 114.94 112.42 1d1d s ASN 102 Ca 0.62 -0.02 -0.20 0.00 -1.57 0.00 0.00 52.86 51.70 1d1d s ASN 102 Cb -0.17 0.24 -0.10 0.00 -0.02 0.00 0.00 41.25 41.20 1d1d s ASN 102 CO 0.56 -0.23 1.52 0.25 -2.57 0.00 0.00 177.10 176.63 1d1d h LEU 103 N 4.97 0.35 -1.00 0.60 5.85 -1.98 -2.69 115.31 121.42 1d1d h LEU 103 Ca -0.28 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.27 1d1d h LEU 103 Cb 1.20 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.04 1d1d h LEU 103 CO 0.41 0.56 0.63 -0.78 -0.34 0.00 0.00 178.44 178.92 1d1d h ASP 104 N 0.14 0.90 -0.86 1.25 1.82 -1.98 0.49 116.42 118.19 1d1d h ASP 104 Ca 0.06 0.06 0.16 0.00 -0.39 0.00 0.00 57.03 56.92 1d1d h ASP 104 Cb 0.37 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 40.20 1d1d h ASP 104 CO 0.01 0.45 0.56 0.03 -1.61 0.00 0.00 179.24 178.68 1d1d h ARG 105 N 0.95 0.55 0.00 0.28 2.47 -1.87 0.23 114.38 116.98 1d1d h ARG 105 Ca 0.51 -0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 59.07 1d1d h ARG 105 Cb 0.57 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1d1d h ARG 105 CO -0.29 0.36 -1.17 -0.07 0.56 0.00 0.00 179.97 179.36 1d1d h LEU 106 N 0.56 0.00 -0.86 3.04 3.38 -0.47 -3.33 115.31 117.64 1d1d h LEU 106 Ca 0.43 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.57 1d1d h LEU 106 Cb 0.84 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.49 1d1d h LEU 106 CO -0.18 0.46 0.42 0.11 0.09 0.00 0.00 178.44 179.34 1d1d h LYS 107 N 0.00 0.54 0.00 1.13 1.79 0.32 -3.44 116.57 116.91 1d1d h LYS 107 Ca -0.11 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1d1d h LYS 107 Cb 1.45 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.97 1d1d h LYS 107 CO 0.04 0.36 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 1d1d n GLY 108 N -1.33 1.82 0.72 3.86 0.00 -1.00 -4.82 105.19 104.43 1d1d n GLY 108 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1d1d n GLY 108 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d1d n LEU 109 N 0.00 2.85 -4.62 0.99 7.94 -1.22 -4.06 117.00 118.87 1d1d n LEU 109 Ca 0.00 -1.70 -0.34 0.00 -1.11 0.00 0.00 56.01 52.86 1d1d n LEU 109 Cb 0.00 -0.20 0.11 0.00 0.53 0.00 0.00 43.42 43.86 1d1d n LEU 109 CO 0.00 0.67 0.55 0.00 -1.11 0.00 0.00 177.39 177.50 1d1d n ALA 110 N 0.76 -0.48 -1.68 1.96 0.00 -1.26 -4.76 120.51 115.05 1d1d n ALA 110 Ca 0.12 -0.31 -0.48 0.00 0.00 0.00 0.00 53.44 52.78 1d1d n ALA 110 Cb 0.43 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.71 1d1d n ALA 110 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d1d n ASP 111 N -2.36 3.41 0.00 0.00 2.03 -1.26 0.71 116.55 119.09 1d1d n ASP 111 Ca 0.12 0.99 0.00 0.00 0.52 0.00 0.00 54.79 56.42 1d1d n ASP 111 Cb 0.50 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.52 1d1d n ASP 111 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1d1d n GLY 112 N 4.24 2.99 0.27 0.27 0.00 -1.26 -4.84 105.19 106.86 1d1d n GLY 112 Ca 0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1d1d n GLY 112 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1d1d h MET 113 N 1.87 0.36 -5.02 1.61 4.05 0.13 -3.24 114.93 114.69 1d1d h MET 113 Ca 0.00 -0.06 -0.63 0.00 -0.28 0.00 0.00 59.70 58.74 1d1d h MET 113 Cb 0.00 -0.06 -0.15 0.00 -0.80 0.00 0.00 31.60 30.58 1d1d h MET 113 CO 0.00 0.37 -0.50 0.14 0.23 0.00 0.00 176.91 177.15 1d1d s VAL 114 N -5.03 5.34 0.00 -5.77 -7.23 -1.23 -3.80 120.40 102.68 1d1d s VAL 114 Ca -0.07 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.29 1d1d s VAL 114 Cb 0.16 -3.52 0.00 0.00 0.56 0.00 0.00 36.38 33.58 1d1d s VAL 114 CO 0.73 0.31 0.00 0.61 -0.31 0.00 0.00 175.10 176.44 1d1d n GLY 115 N 4.58 0.71 0.00 2.32 0.00 -1.26 -4.93 105.19 106.61 1d1d n GLY 115 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1d1d n GLY 115 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1d1d n ASN 116 N 0.00 0.00 0.05 1.61 6.94 -1.22 -5.04 115.26 117.60 1d1d n ASN 116 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 1d1d n ASN 116 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1d1d n ASN 116 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 1d1d h PRO 117 N 0.00 0.48 0.33 -0.53 0.13 -1.73 -2.94 132.00 127.73 1d1d h PRO 117 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1d1d h PRO 117 Cb 0.00 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1d1d h PRO 117 CO 0.00 1.11 -0.36 1.96 -0.23 0.00 0.00 178.00 180.48 1d1d h GLN 118 N 0.29 -0.70 -0.33 0.86 1.08 -1.91 0.44 115.11 114.84 1d1d h GLN 118 Ca -0.07 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.23 1d1d h GLN 118 Cb 1.50 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 29.07 1d1d h GLN 118 CO 0.16 -0.47 0.22 0.78 -0.95 0.00 0.00 178.83 178.58 1d1d h GLY 119 N -0.73 0.26 1.02 3.46 0.00 -1.89 -0.95 103.07 104.24 1d1d h GLY 119 Ca -0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 1d1d h GLY 119 CO -0.09 0.07 -0.02 -1.61 0.00 0.00 0.00 176.54 174.89 1d1d h GLN 120 N 0.22 0.91 -0.60 4.80 -0.00 -1.09 0.38 115.11 119.72 1d1d h GLN 120 Ca 0.14 -0.30 -0.04 0.00 -0.00 0.00 0.00 58.65 58.46 1d1d h GLN 120 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.68 1d1d h GLN 120 CO -0.03 0.94 0.22 0.00 0.00 0.00 0.00 178.83 179.97 1d1d h ALA 121 N 0.93 1.26 0.00 3.38 0.00 0.39 0.32 119.26 125.54 1d1d h ALA 121 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1d1d h ALA 121 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1d1d h ALA 121 CO 0.03 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.82 1d1d n ALA 122 N -2.45 2.22 0.07 0.00 0.00 -0.82 -2.99 120.51 116.53 1d1d n ALA 122 Ca 0.05 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 1d1d n ALA 122 Cb 0.18 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 1d1d n ALA 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1d1d h LEU 123 N 0.00 0.68 -9.21 0.00 6.46 0.12 -3.45 115.31 109.91 1d1d h LEU 123 Ca 0.00 -0.57 -0.67 0.00 -0.12 0.00 0.00 57.88 56.52 1d1d h LEU 123 Cb 0.61 -0.21 -0.17 0.00 -0.73 0.00 0.00 40.66 40.16 1d1d h LEU 123 CO 0.00 1.38 -0.74 -1.48 -0.62 0.00 0.00 178.44 176.99 1d1d s LEU 124 N -7.79 3.02 0.94 2.25 0.05 -0.87 -5.09 118.68 111.19 1d1d s LEU 124 Ca -0.07 -0.33 -0.14 0.00 0.05 0.00 0.00 54.13 53.64 1d1d s LEU 124 Cb 0.08 -1.80 0.16 0.00 -2.05 0.00 0.00 46.19 42.58 1d1d s LEU 124 CO 0.89 0.21 1.18 0.00 -0.55 0.00 0.00 176.35 178.08 1d1d s ARG 125 N -1.92 0.90 -0.45 1.48 3.03 -1.26 -4.79 118.95 115.95 1d1d s ARG 125 Ca 0.20 0.09 -0.29 0.00 2.03 0.00 0.00 55.73 57.76 1d1d s ARG 125 Cb -0.11 -1.83 0.01 0.00 -1.03 0.00 0.00 34.95 31.99 1d1d s ARG 125 CO 0.11 -2.32 1.43 -1.25 -1.13 0.00 0.00 175.30 172.14 1d1d s PRO 126 N -5.46 3.49 0.00 3.89 0.04 -1.26 -4.17 135.00 131.53 1d1d s PRO 126 Ca 0.66 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1d1d s PRO 126 Cb -0.11 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1d1d s PRO 126 CO 0.53 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1d1d n GLY 127 N 5.14 -0.67 0.22 0.56 0.00 -1.26 -4.95 105.19 104.23 1d1d n GLY 127 Ca 0.16 0.28 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1d1d n GLY 127 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1d1d h GLU 128 N 0.00 0.14 -0.44 1.61 5.08 -1.82 -2.45 114.58 116.69 1d1d h GLU 128 Ca 0.00 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1d1d h GLU 128 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1d1d h GLU 128 CO 0.00 0.38 0.04 -0.07 -1.00 0.00 0.00 179.01 178.36 1d1d h LEU 129 N 0.13 0.72 -1.02 1.33 3.38 -1.83 -2.43 115.31 115.58 1d1d h LEU 129 Ca 0.02 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.75 1d1d h LEU 129 Cb 0.51 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1d1d h LEU 129 CO 0.04 0.82 0.65 0.58 0.09 0.00 0.00 178.44 180.62 1d1d h VAL 130 N 0.60 1.17 -0.95 1.22 2.07 -1.74 0.85 116.25 119.46 1d1d h VAL 130 Ca 0.13 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.25 1d1d h VAL 130 Cb 0.42 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1d1d h VAL 130 CO 0.01 0.23 0.63 0.00 0.02 0.00 0.00 177.57 178.46 1d1d h ALA 131 N 1.42 1.38 -0.28 1.67 0.00 -1.09 0.51 119.26 122.87 1d1d h ALA 131 Ca 0.40 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 55.11 1d1d h ALA 131 Cb 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1d1d h ALA 131 CO -0.13 0.53 -0.43 0.82 0.00 0.00 0.00 179.25 180.04 1d1d h ILE 132 N 1.21 1.29 -0.03 0.00 2.04 -0.63 0.94 117.51 122.33 1d1d h ILE 132 Ca 0.38 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.62 1d1d h ILE 132 Cb 0.00 1.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1d1d h ILE 132 CO -0.11 0.52 -0.00 0.74 0.00 0.00 0.00 178.15 179.30 1d1d h THR 133 N 0.57 1.25 -0.14 -0.27 2.02 0.47 0.82 112.91 117.63 1d1d h THR 133 Ca 0.04 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1d1d h THR 133 Cb 0.98 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.09 1d1d h THR 133 CO 0.09 0.20 0.06 0.00 0.37 0.00 0.00 175.52 176.24 1d1d h ALA 134 N 0.70 0.18 -0.27 6.16 0.00 -0.03 0.26 119.26 126.26 1d1d h ALA 134 Ca 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1d1d h ALA 134 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1d1d h ALA 134 CO 0.00 -0.26 -0.07 0.66 0.00 0.00 0.00 179.25 179.58 1d1d h SER 135 N 0.09 0.40 -0.33 0.00 4.64 -0.78 -1.22 113.55 116.35 1d1d h SER 135 Ca 0.05 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1d1d h SER 135 Cb 0.13 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1d1d h SER 135 CO -0.01 0.52 -0.11 0.00 -0.87 0.00 0.00 176.83 176.36 1d1d h ALA 136 N 1.53 0.45 -0.74 5.18 0.00 0.12 -1.05 119.26 124.75 1d1d h ALA 136 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1d1d h ALA 136 Cb 0.38 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1d1d h ALA 136 CO 0.02 0.32 0.41 -0.07 0.00 0.00 0.00 179.25 179.94 1d1d h LEU 137 N 0.43 0.91 -0.97 0.00 4.07 -0.03 -1.08 115.31 118.63 1d1d h LEU 137 Ca 0.08 -0.07 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 1d1d h LEU 137 Cb 0.63 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1d1d h LEU 137 CO 0.04 0.72 -0.32 1.56 -1.08 0.00 0.00 178.44 179.36 1d1d h GLN 138 N 1.03 0.35 -0.19 1.13 4.20 -0.97 -0.69 115.11 119.96 1d1d h GLN 138 Ca 0.26 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.73 1d1d h GLN 138 Cb 0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1d1d h GLN 138 CO -0.04 0.64 -0.30 0.00 -0.67 0.00 0.00 178.83 178.45 1d1d h ALA 139 N 1.36 1.14 0.11 3.87 0.00 0.00 -1.36 119.26 124.38 1d1d h ALA 139 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1d1d h ALA 139 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1d1d h ALA 139 CO 0.06 0.55 -0.05 0.35 0.00 0.00 0.00 179.25 180.15 1d1d h PHE 140 N 0.33 -0.14 -0.26 0.00 3.04 -0.78 -2.39 116.94 116.73 1d1d h PHE 140 Ca 0.04 -0.00 0.08 0.00 3.98 0.00 0.00 57.97 62.07 1d1d h PHE 140 Cb 0.70 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.24 1d1d h PHE 140 CO 0.02 0.36 0.23 -0.09 -2.02 0.00 0.00 178.31 176.81 1d1d h ARG 141 N -0.84 0.00 -0.07 1.11 1.12 -1.12 0.51 114.38 115.08 1d1d h ARG 141 Ca -0.02 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.61 1d1d h ARG 141 Cb 0.56 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.54 1d1d h ARG 141 CO 0.03 0.00 -0.91 1.49 -3.11 0.00 0.00 179.97 177.46 1d1d h GLU 142 N 0.00 0.72 -0.11 0.20 4.57 -1.23 -1.85 114.58 116.89 1d1d h GLU 142 Ca 0.12 -0.68 -0.14 0.00 -1.18 0.00 0.00 59.36 57.48 1d1d h GLU 142 Cb 0.59 0.17 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 1d1d h GLU 142 CO -0.00 1.28 -0.49 0.28 -1.18 0.00 0.00 179.01 178.89 1d1d h VAL 143 N 0.45 1.36 -0.74 0.32 2.07 -0.38 -0.21 116.25 119.12 1d1d h VAL 143 Ca -0.09 -1.81 0.04 0.00 0.82 0.00 0.00 66.70 65.67 1d1d h VAL 143 Cb 1.55 2.16 -0.05 0.00 -1.52 0.00 0.00 31.29 33.43 1d1d h VAL 143 CO 0.18 0.54 0.46 0.00 0.02 0.00 0.00 177.57 178.77 1d1d h ALA 144 N 0.49 0.99 0.00 1.67 0.00 -0.16 0.18 119.26 122.42 1d1d h ALA 144 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1d1d h ALA 144 Cb 1.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1d1d h ALA 144 CO 0.10 0.21 -0.16 -0.09 0.00 0.00 0.00 179.25 179.31 1d1d h ARG 145 N 0.87 0.00 -3.65 0.00 9.65 -1.30 -3.38 114.38 116.57 1d1d h ARG 145 Ca 0.31 0.00 -0.73 0.00 -1.10 0.00 0.00 59.98 58.46 1d1d h ARG 145 Cb 0.09 0.00 -0.32 0.00 -1.39 0.00 0.00 29.97 28.35 1d1d h ARG 145 CO -0.14 0.16 -0.17 -1.17 2.80 0.00 0.00 179.97 181.45 1d1d s LEU 146 N -6.44 5.83 0.18 3.80 2.96 0.05 -4.73 118.68 120.32 1d1d s LEU 146 Ca 0.03 -2.85 0.00 0.00 -0.22 0.00 0.00 54.13 51.09 1d1d s LEU 146 Cb 0.08 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.78 1d1d s LEU 146 CO 0.64 -0.43 0.00 0.00 -1.32 0.00 0.00 176.35 175.24 1d1d n ALA 147 N 3.60 3.00 -2.63 5.97 0.00 -1.24 -4.69 120.51 124.52 1d1d n ALA 147 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 1d1d n ALA 147 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1d1d n ALA 147 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1d1d s GLU 148 N -1.72 4.01 -0.87 0.00 2.56 -1.26 -4.92 118.70 116.50 1d1d s GLU 148 Ca 0.00 0.89 -0.07 0.00 0.00 0.00 0.00 54.97 55.79 1d1d s GLU 148 Cb 0.00 -3.75 -0.11 0.00 2.00 0.00 0.00 34.13 32.28 1d1d s GLU 148 CO 0.00 -0.87 2.58 -0.35 -0.56 0.00 0.00 175.26 176.07 1d1d n PRO 149 N 6.72 2.41 -2.23 4.30 -0.04 -1.26 -4.91 135.00 139.99 1d1d n PRO 149 Ca 0.09 -1.48 -0.39 0.00 -0.04 0.00 0.00 63.50 61.69 1d1d n PRO 149 Cb 0.47 -2.39 -0.02 0.00 -0.04 0.00 0.00 33.50 31.53 1d1d n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d1d s ALA 150 N 2.48 3.17 0.40 0.55 0.00 -1.26 -5.00 121.76 122.11 1d1d s ALA 150 Ca 0.52 1.03 -0.23 0.00 0.00 0.00 0.00 51.96 53.28 1d1d s ALA 150 Cb 0.17 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1d1d s ALA 150 CO -0.03 -0.61 1.01 0.20 0.00 0.00 0.00 175.76 176.33 1d1d s GLY 151 N -1.04 2.66 0.09 0.00 0.00 -1.26 -4.98 107.32 102.79 1d1d s GLY 151 Ca 0.57 0.61 -0.13 0.00 0.00 0.00 0.00 44.72 45.77 1d1d s GLY 151 CO 0.41 1.00 1.23 -0.56 0.00 0.00 0.00 173.10 175.19 1d1d h PRO 152 N 2.40 0.74 -0.82 2.90 0.13 -1.94 -3.03 132.00 132.38 1d1d h PRO 152 Ca -0.48 -0.72 0.24 0.00 -0.87 0.00 0.00 66.00 64.16 1d1d h PRO 152 Cb 1.21 0.19 -0.03 0.00 0.13 0.00 0.00 31.00 32.49 1d1d h PRO 152 CO 0.62 1.31 0.62 0.11 -0.23 0.00 0.00 178.00 180.43 1d1d h TRP 153 N 0.45 0.00 -0.30 1.56 0.09 -1.91 1.43 115.95 117.28 1d1d h TRP 153 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 58.89 58.87 1d1d h TRP 153 Cb 1.59 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.82 1d1d h TRP 153 CO 0.10 0.00 0.15 0.00 0.09 0.00 0.00 178.44 178.77 1d1d h ALA 154 N 1.53 1.69 0.00 0.11 0.00 -1.93 0.45 119.26 121.10 1d1d h ALA 154 Ca 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1d1d h ALA 154 Cb 1.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1d1d h ALA 154 CO -0.00 0.26 -0.36 0.22 0.00 0.00 0.00 179.25 179.36 1d1d h ASP 155 N 0.42 0.00 -2.86 0.00 3.58 0.18 -3.44 116.42 114.31 1d1d h ASP 155 Ca 0.11 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 57.00 1d1d h ASP 155 Cb 0.05 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 1d1d h ASP 155 CO -0.02 0.22 0.92 -0.63 -2.88 0.00 0.00 179.24 176.85 1d1d s ILE 156 N -3.12 4.09 -0.04 2.25 1.01 0.15 -5.00 121.20 120.54 1d1d s ILE 156 Ca 0.05 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.06 1d1d s ILE 156 Cb 0.07 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1d1d s ILE 156 CO 0.72 -0.10 -0.10 0.42 0.00 0.00 0.00 174.94 175.87 1d1d s THR 157 N 3.45 0.92 -0.20 2.92 -4.23 -1.26 -4.94 115.64 112.30 1d1d s THR 157 Ca 0.59 -0.41 -0.10 0.00 -1.18 0.00 0.00 61.69 60.60 1d1d s THR 157 Cb -0.25 -0.83 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 1d1d s THR 157 CO 0.19 0.29 0.12 0.00 -0.54 0.00 0.00 174.62 174.68 1d1d s GLN 158 N 0.38 4.16 0.63 3.99 1.03 -1.26 -5.10 119.66 123.49 1d1d s GLN 158 Ca -0.07 -0.23 0.04 0.00 0.04 0.00 0.00 55.36 55.14 1d1d s GLN 158 Cb -0.11 -3.39 0.10 0.00 0.03 0.00 0.00 33.01 29.63 1d1d s GLN 158 CO 0.01 0.30 0.87 0.20 -2.54 0.00 0.00 175.29 174.13 1d1d s GLY 159 N 0.35 1.77 0.39 2.60 0.00 -1.26 -4.62 107.32 106.55 1d1d s GLY 159 Ca 0.07 -1.86 0.27 0.00 0.00 0.00 0.00 44.72 43.20 1d1d s GLY 159 CO -0.02 -1.39 1.78 -0.56 0.00 0.00 0.00 173.10 172.92 1d1d h PRO 160 N -0.12 0.00 -0.37 2.90 0.13 -2.02 -2.75 132.00 129.78 1d1d h PRO 160 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1d1d h PRO 160 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1d1d h PRO 160 CO 0.42 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.06 1d1d n SER 161 N -2.74 4.30 -4.35 1.44 3.41 -1.26 -4.94 113.62 109.47 1d1d n SER 161 Ca 0.03 -2.87 -0.32 0.00 -0.26 0.00 0.00 58.87 55.45 1d1d n SER 161 Cb 0.38 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 1d1d n SER 161 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d1d s GLU 162 N -2.58 2.75 0.23 4.33 2.12 -1.04 -5.09 118.70 119.42 1d1d s GLU 162 Ca 0.44 -0.79 -0.32 0.00 0.36 0.00 0.00 54.97 54.67 1d1d s GLU 162 Cb 0.34 -2.34 -0.12 0.00 0.26 0.00 0.00 34.13 32.27 1d1d s GLU 162 CO 0.12 0.41 1.70 0.43 -0.54 0.00 0.00 175.26 177.38 1d1d n SER 163 N 2.91 3.98 -0.08 -1.70 7.64 -1.26 -4.67 113.62 120.44 1d1d n SER 163 Ca -0.18 1.08 -0.13 0.00 1.01 0.00 0.00 58.87 60.65 1d1d n SER 163 Cb 0.52 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.09 1d1d n SER 163 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1d1d h PHE 164 N 6.31 0.75 -0.11 1.43 3.57 -1.98 -0.54 116.94 126.37 1d1d h PHE 164 Ca -0.44 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 60.80 1d1d h PHE 164 Cb 1.21 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1d1d h PHE 164 CO 0.63 0.96 -0.02 0.28 -2.23 0.00 0.00 178.31 177.93 1d1d h VAL 165 N 0.33 1.28 -0.39 1.41 2.07 -1.98 0.15 116.25 119.12 1d1d h VAL 165 Ca 0.03 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.67 1d1d h VAL 165 Cb 0.86 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1d1d h VAL 165 CO 0.07 0.27 0.13 0.44 0.02 0.00 0.00 177.57 178.49 1d1d h ASP 166 N -0.09 0.12 -0.09 0.57 5.19 -1.95 -0.65 116.42 119.52 1d1d h ASP 166 Ca 0.03 0.05 -0.06 0.00 -0.62 0.00 0.00 57.03 56.43 1d1d h ASP 166 Cb 0.42 0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 1d1d h ASP 166 CO 0.01 0.11 -0.11 0.15 -3.12 0.00 0.00 179.24 176.27 1d1d h PHE 167 N 0.28 0.43 -0.23 4.55 3.57 -0.99 -1.88 116.94 122.68 1d1d h PHE 167 Ca 0.18 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1d1d h PHE 167 Cb 0.17 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1d1d h PHE 167 CO -0.16 0.51 -0.04 0.00 -2.23 0.00 0.00 178.31 176.40 1d1d h ALA 168 N 1.51 1.52 -0.06 2.41 0.00 0.71 0.14 119.26 125.49 1d1d h ALA 168 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1d1d h ALA 168 Cb 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1d1d h ALA 168 CO 0.02 0.35 -0.03 -0.91 0.00 0.00 0.00 179.25 178.68 1d1d h ASN 169 N 0.33 0.13 -0.61 0.00 2.35 -0.40 0.41 115.58 117.80 1d1d h ASN 169 Ca 0.07 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.37 1d1d h ASN 169 Cb 0.29 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 1d1d h ASN 169 CO 0.01 0.53 0.30 0.03 -1.65 0.00 0.00 177.43 176.66 1d1d h ARG 170 N -0.27 0.90 -0.01 0.81 3.08 -1.04 0.38 114.38 118.22 1d1d h ARG 170 Ca 0.01 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1d1d h ARG 170 Cb 0.49 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1d1d h ARG 170 CO 0.01 0.70 -0.01 1.25 -1.07 0.00 0.00 179.97 180.84 1d1d h LEU 171 N 0.90 0.03 -0.82 3.04 6.46 -0.63 -1.32 115.31 122.96 1d1d h LEU 171 Ca 0.22 -0.54 0.05 0.00 -0.12 0.00 0.00 57.88 57.49 1d1d h LEU 171 Cb 0.09 -0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 39.96 1d1d h LEU 171 CO -0.03 0.56 0.51 0.40 -0.62 0.00 0.00 178.44 179.27 1d1d h ILE 172 N -0.51 1.07 -0.43 4.05 2.04 0.12 0.24 117.51 124.10 1d1d h ILE 172 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1d1d h ILE 172 Cb 0.56 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1d1d h ILE 172 CO 0.00 0.18 0.12 0.50 0.00 0.00 0.00 178.15 178.94 1d1d h LYS 173 N 0.96 0.63 0.12 2.37 3.64 -0.21 0.35 116.57 124.43 1d1d h LYS 173 Ca 0.35 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1d1d h LYS 173 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1d1d h LYS 173 CO -0.15 0.57 -0.06 0.00 -2.27 0.00 0.00 179.45 177.54 1d1d h ALA 174 N 1.51 -0.16 -0.75 5.00 0.00 0.23 0.14 119.26 125.22 1d1d h ALA 174 Ca 0.14 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1d1d h ALA 174 Cb 0.22 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1d1d h ALA 174 CO -0.01 -0.38 0.47 0.28 0.00 0.00 0.00 179.25 179.61 1d1d h VAL 175 N -0.58 1.09 0.58 0.00 2.07 -0.32 0.23 116.25 119.33 1d1d h VAL 175 Ca -0.02 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1d1d h VAL 175 Cb 0.45 0.10 0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1d1d h VAL 175 CO 0.03 0.17 -0.28 -0.33 0.02 0.00 0.00 177.57 177.17 1d1d h GLU 176 N 0.91 -0.75 -0.03 1.57 5.08 -0.25 -2.27 114.58 118.84 1d1d h GLU 176 Ca 0.31 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1d1d h GLU 176 Cb 0.05 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1d1d h GLU 176 CO -0.12 -0.48 0.04 0.78 -1.00 0.00 0.00 179.01 178.23 1d1d h GLY 177 N -0.85 0.00 -0.98 -3.84 0.00 -0.41 -3.43 103.07 93.56 1d1d h GLY 177 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.77 1d1d h GLY 177 CO 0.13 0.00 0.33 -1.35 0.00 0.00 0.00 176.54 175.65 1d1d s SER 178 N -5.70 4.26 -0.90 0.19 1.04 0.79 -4.97 113.70 108.41 1d1d s SER 178 Ca -0.05 1.23 -0.00 0.00 0.48 0.00 0.00 55.95 57.61 1d1d s SER 178 Cb 0.14 -1.93 0.34 0.00 0.10 0.00 0.00 66.02 64.67 1d1d s SER 178 CO 0.49 -2.11 1.76 0.47 0.98 0.00 0.00 173.24 174.84 1d1d n ASP 179 N -3.51 7.00 -4.86 7.02 9.92 -1.26 -4.96 116.55 125.90 1d1d n ASP 179 Ca 0.07 -3.74 -0.31 0.00 -0.53 0.00 0.00 54.79 50.29 1d1d n ASP 179 Cb 0.57 -1.04 0.04 0.00 -0.64 0.00 0.00 41.12 40.04 1d1d n ASP 179 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1d1d s LEU 180 N -4.14 3.02 0.78 0.64 1.43 -1.26 -5.05 118.68 114.10 1d1d s LEU 180 Ca 0.44 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.75 1d1d s LEU 180 Cb 0.28 -4.20 0.06 0.00 0.03 0.00 0.00 46.19 42.37 1d1d s LEU 180 CO -0.22 -1.24 1.09 -2.16 0.23 0.00 0.00 176.35 174.05 1d1d s PRO 181 N -5.23 2.21 -1.23 1.29 0.04 -1.26 -4.92 135.00 125.90 1d1d s PRO 181 Ca 0.57 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 62.09 1d1d s PRO 181 Cb -0.12 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1d1d s PRO 181 CO 0.53 -1.54 1.83 -1.25 0.04 0.00 0.00 177.00 176.61 1d1d s PRO 182 N -5.14 3.25 0.00 0.56 0.04 -1.26 -2.24 135.00 130.21 1d1d s PRO 182 Ca 0.60 -1.56 0.00 0.00 0.04 0.00 0.00 61.00 60.08 1d1d s PRO 182 Cb -0.14 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.01 1d1d s PRO 182 CO 0.54 -3.10 0.00 0.45 0.04 0.00 0.00 177.00 174.93 1d1d n SER 183 N 11.34 0.00 0.03 6.66 2.88 -1.26 -4.94 113.62 128.33 1d1d n SER 183 Ca 0.47 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.13 1d1d n SER 183 Cb 0.46 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.33 1d1d n SER 183 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1d1d n ALA 184 N 0.00 2.75 -2.22 -1.46 0.00 -0.95 -4.23 120.51 114.40 1d1d n ALA 184 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1d1d n ALA 184 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1d1d n ALA 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1d1d n ARG 185 N -1.74 3.39 0.00 0.00 1.74 -1.24 -2.53 116.66 116.28 1d1d n ARG 185 Ca 0.06 -3.30 0.00 0.00 -0.77 0.00 0.00 57.85 53.84 1d1d n ARG 185 Cb 0.37 -3.04 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 1d1d n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d1d n ALA 186 N 4.69 0.00 0.10 7.54 0.00 -1.26 -4.93 120.51 126.65 1d1d n ALA 186 Ca 0.43 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 1d1d n ALA 186 Cb 0.38 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.89 1d1d n ALA 186 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1d1d h PRO 187 N 0.00 0.05 -0.42 0.00 0.13 -1.71 -2.61 132.00 127.43 1d1d h PRO 187 Ca 0.00 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1d1d h PRO 187 Cb 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.12 1d1d h PRO 187 CO 0.00 0.79 0.08 0.28 -0.23 0.00 0.00 178.00 178.92 1d1d h VAL 188 N 0.03 1.24 -0.19 1.56 2.07 -1.80 1.41 116.25 120.56 1d1d h VAL 188 Ca -0.01 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1d1d h VAL 188 Cb 1.35 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1d1d h VAL 188 CO 0.10 0.29 0.08 0.40 0.02 0.00 0.00 177.57 178.46 1d1d h ILE 189 N 0.55 1.16 -0.26 4.57 2.04 -1.76 0.43 117.51 124.24 1d1d h ILE 189 Ca 0.13 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1d1d h ILE 189 Cb 0.35 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1d1d h ILE 189 CO 0.00 0.15 0.00 0.40 0.00 0.00 0.00 178.15 178.71 1d1d h ILE 190 N 0.15 1.25 -0.74 -0.67 2.04 -1.28 -2.55 117.51 115.72 1d1d h ILE 190 Ca 0.06 -0.90 0.04 0.00 1.00 0.00 0.00 64.86 65.06 1d1d h ILE 190 Cb 0.17 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1d1d h ILE 190 CO -0.01 0.29 0.49 -0.78 0.00 0.00 0.00 178.15 178.14 1d1d h ASP 191 N 0.25 0.77 -0.27 1.72 3.58 0.21 -1.21 116.42 121.47 1d1d h ASP 191 Ca 0.08 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1d1d h ASP 191 Cb 0.41 -0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1d1d h ASP 191 CO 0.01 0.53 0.05 0.00 -2.88 0.00 0.00 179.24 176.95 1d1d h PHE 193 N 0.15 0.65 -0.43 0.00 0.04 -0.84 0.27 116.94 116.78 1d1d h PHE 193 Ca 0.12 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1d1d h PHE 193 Cb 0.13 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1d1d h PHE 193 CO -0.17 0.25 0.02 2.89 -0.60 0.00 0.00 178.31 180.70 1d1d n ARG 194 N -4.52 3.79 -0.12 1.51 1.85 -0.23 -3.71 116.66 115.24 1d1d n ARG 194 Ca 0.16 -3.01 -0.22 0.00 -1.00 0.00 0.00 57.85 53.77 1d1d n ARG 194 Cb 0.49 -2.05 -0.09 0.00 -1.05 0.00 0.00 32.46 29.76 1d1d n ARG 194 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 1d1d n GLN 195 N -0.03 0.53 -2.84 2.89 7.27 0.34 -4.86 117.38 120.67 1d1d n GLN 195 Ca 0.26 0.19 -0.11 0.00 0.07 0.00 0.00 57.00 57.41 1d1d n GLN 195 Cb 1.07 -1.39 0.05 0.00 2.41 0.00 0.00 30.24 32.37 1d1d n GLN 195 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1d1d n LYS 196 N -3.74 0.92 -3.85 3.69 -0.00 -0.97 -5.06 118.16 109.14 1d1d n LYS 196 Ca -0.45 -2.19 -0.17 0.00 -0.00 0.00 0.00 58.31 55.49 1d1d n LYS 196 Cb 0.87 -1.27 -0.06 0.00 -0.00 0.00 0.00 35.03 34.57 1d1d n LYS 196 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1d1d n SER 197 N 0.81 0.05 -4.44 -5.58 7.64 -1.24 -4.50 113.62 106.36 1d1d n SER 197 Ca 0.11 -2.76 -0.34 0.00 1.01 0.00 0.00 58.87 56.88 1d1d n SER 197 Cb 0.66 1.17 0.10 0.00 -1.01 0.00 0.00 64.21 65.13 1d1d n SER 197 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d1d n GLN 198 N -0.59 -0.08 0.06 1.43 3.00 -1.26 -4.74 117.38 115.19 1d1d n GLN 198 Ca 0.02 0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 1d1d n GLN 198 Cb 0.49 -1.87 -0.02 0.00 0.00 0.00 0.00 30.24 28.84 1d1d n GLN 198 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1d1d h PRO 199 N -1.15 0.43 -0.18 -1.09 0.13 -1.96 0.84 132.00 129.01 1d1d h PRO 199 Ca -0.44 -0.41 -0.02 0.00 -0.87 0.00 0.00 66.00 64.25 1d1d h PRO 199 Cb 1.30 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.53 1d1d h PRO 199 CO 0.37 1.07 0.02 -0.44 -0.23 0.00 0.00 178.00 178.79 1d1d h ASP 200 N 0.26 0.30 -0.31 1.44 3.32 -1.97 1.52 116.42 120.97 1d1d h ASP 200 Ca -0.06 -0.28 -0.15 0.00 0.02 0.00 0.00 57.03 56.56 1d1d h ASP 200 Cb 1.48 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.94 1d1d h ASP 200 CO 0.15 0.50 -0.36 0.40 -1.72 0.00 0.00 179.24 178.21 1d1d h ILE 201 N 0.09 1.28 -0.18 0.35 1.08 -1.93 -1.51 117.51 116.69 1d1d h ILE 201 Ca 0.05 -1.53 -0.06 0.00 -0.39 0.00 0.00 64.86 62.94 1d1d h ILE 201 Cb 0.34 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 1d1d h ILE 201 CO 0.01 0.51 -0.12 -0.61 -0.69 0.00 0.00 178.15 177.24 1d1d h GLN 202 N 0.71 0.39 -0.11 2.37 4.15 -0.65 -1.84 115.11 120.13 1d1d h GLN 202 Ca 0.07 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 1d1d h GLN 202 Cb 0.92 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 1d1d h GLN 202 CO 0.09 0.73 0.05 0.37 -1.93 0.00 0.00 178.83 178.14 1d1d h GLN 203 N 0.06 0.15 -0.07 1.69 5.75 0.22 0.34 115.11 123.24 1d1d h GLN 203 Ca 0.03 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1d1d h GLN 203 Cb 0.63 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.15 1d1d h GLN 203 CO 0.03 0.12 -0.09 1.25 -2.65 0.00 0.00 178.83 177.49 1d1d h LEU 204 N 0.15 0.21 -0.77 -2.39 6.46 -1.07 -0.44 115.31 117.46 1d1d h LEU 204 Ca 0.04 -0.51 -0.05 0.00 -0.12 0.00 0.00 57.88 57.24 1d1d h LEU 204 Cb 0.02 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.86 1d1d h LEU 204 CO -0.01 0.68 0.28 0.40 -0.62 0.00 0.00 178.44 179.17 1d1d h ILE 205 N -0.25 1.26 -0.29 4.05 5.03 -0.61 0.15 117.51 126.85 1d1d h ILE 205 Ca 0.01 -0.86 -0.05 0.00 -0.12 0.00 0.00 64.86 63.83 1d1d h ILE 205 Cb 0.63 0.38 -0.02 0.00 -3.03 0.00 0.00 36.82 34.78 1d1d h ILE 205 CO 0.02 0.35 -0.06 -0.09 -0.68 0.00 0.00 178.15 177.69 1d1d h ARG 206 N 1.13 0.46 -0.22 2.37 1.12 -0.31 -0.49 114.38 118.44 1d1d h ARG 206 Ca 0.25 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1d1d h ARG 206 Cb 0.26 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1d1d h ARG 206 CO -0.02 0.53 0.00 0.00 -3.11 0.00 0.00 179.97 177.38 1d1d n ALA 207 N -2.48 2.49 -1.26 2.80 0.00 -0.18 -4.93 120.51 116.95 1d1d n ALA 207 Ca 0.01 -0.61 -0.34 0.00 0.00 0.00 0.00 53.44 52.50 1d1d n ALA 207 Cb 0.27 -1.04 0.11 0.00 0.00 0.00 0.00 19.45 18.78 1d1d n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d1d s ALA 208 N -1.71 2.01 0.59 0.00 0.00 0.45 -4.98 121.76 118.12 1d1d s ALA 208 Ca 0.32 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.99 1d1d s ALA 208 Cb 0.18 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1d1d s ALA 208 CO 0.26 -2.04 1.05 -1.25 0.00 0.00 0.00 175.76 173.78 1d1d s PRO 209 N -4.01 3.36 -0.08 0.00 0.04 -1.26 -4.94 135.00 128.11 1d1d s PRO 209 Ca 0.74 1.15 0.07 0.00 0.04 0.00 0.00 61.00 63.00 1d1d s PRO 209 Cb -0.29 -2.04 0.35 0.00 0.04 0.00 0.00 34.50 32.56 1d1d s PRO 209 CO 0.48 -0.77 1.11 0.43 0.04 0.00 0.00 177.00 178.29 1d1d n SER 210 N -2.08 2.78 -0.26 6.66 7.64 -1.26 -3.42 113.62 123.68 1d1d n SER 210 Ca 0.08 -2.31 0.09 0.00 1.01 0.00 0.00 58.87 57.75 1d1d n SER 210 Cb 0.53 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1d1d n SER 210 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1d1d n THR 211 N 0.33 0.00 -3.82 0.44 5.66 -1.26 -4.94 114.28 110.69 1d1d n THR 211 Ca 0.12 -0.20 -0.12 0.00 -3.05 0.00 0.00 64.05 60.80 1d1d n THR 211 Cb 0.57 1.14 -0.11 0.00 -1.55 0.00 0.00 70.33 70.38 1d1d n THR 211 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1d1d s LEU 212 N -2.52 1.31 -0.36 1.09 0.05 -1.22 -5.05 118.68 111.98 1d1d s LEU 212 Ca 0.12 0.20 0.10 0.00 0.05 0.00 0.00 54.13 54.61 1d1d s LEU 212 Cb 0.15 0.71 0.38 0.00 -2.05 0.00 0.00 46.19 45.38 1d1d s LEU 212 CO 0.60 -0.18 1.41 0.35 -0.55 0.00 0.00 176.35 177.98 1d1d n THR 213 N 2.43 0.00 -4.42 5.48 -2.24 -1.26 -4.73 114.28 109.54 1d1d n THR 213 Ca -0.16 -1.21 -0.24 0.00 -2.27 0.00 0.00 64.05 60.18 1d1d n THR 213 Cb 0.58 0.97 -0.11 0.00 -2.10 0.00 0.00 70.33 69.67 1d1d n THR 213 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1d1d s THR 214 N 0.16 2.23 -0.68 4.28 -4.23 -1.26 -4.11 115.64 112.02 1d1d s THR 214 Ca 0.15 -2.20 -0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1d1d s THR 214 Cb 0.40 -2.14 -0.13 0.00 1.34 0.00 0.00 72.50 71.97 1d1d s THR 214 CO -0.10 -0.34 2.65 -0.81 -0.54 0.00 0.00 174.62 175.47 1d1d n PRO 215 N -0.21 2.22 0.17 3.99 -0.04 -1.26 -2.72 135.00 137.14 1d1d n PRO 215 Ca -0.09 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1d1d n PRO 215 Cb 0.59 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 1d1d n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d1d n GLY 216 N 3.21 -1.41 0.13 0.55 0.00 -1.26 -4.91 105.19 101.51 1d1d n GLY 216 Ca 0.47 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.70 1d1d n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1d1d h GLU 217 N 0.00 0.13 -0.74 1.61 5.08 -1.98 -1.41 114.58 117.27 1d1d h GLU 217 Ca 0.00 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1d1d h GLU 217 Cb 0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1d1d h GLU 217 CO 0.00 0.81 0.26 0.82 -1.00 0.00 0.00 179.01 179.90 1d1d h ILE 218 N 0.08 1.26 -0.01 3.13 5.03 -1.87 0.45 117.51 125.58 1d1d h ILE 218 Ca -0.02 -0.85 -0.01 0.00 -0.12 0.00 0.00 64.86 63.86 1d1d h ILE 218 Cb 1.30 0.40 0.00 0.00 -3.03 0.00 0.00 36.82 35.49 1d1d h ILE 218 CO 0.11 0.34 -0.05 0.40 -0.68 0.00 0.00 178.15 178.27 1d1d h ILE 219 N 1.09 1.52 -0.79 -0.67 2.04 -1.78 -1.08 117.51 117.84 1d1d h ILE 219 Ca 0.24 -1.60 0.08 0.00 1.00 0.00 0.00 64.86 64.59 1d1d h ILE 219 Cb 0.25 2.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.84 1d1d h ILE 219 CO -0.01 0.42 0.45 0.07 0.00 0.00 0.00 178.15 179.08 1d1d h LYS 220 N -0.60 0.75 -0.33 2.37 2.10 -1.09 0.36 116.57 120.13 1d1d h LYS 220 Ca -0.00 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.56 1d1d h LYS 220 Cb 0.71 -0.17 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1d1d h LYS 220 CO 0.01 0.50 0.06 -0.92 -2.00 0.00 0.00 179.45 177.10 1d1d h TYR 221 N 0.78 0.58 -0.21 0.07 3.20 -0.11 0.25 116.97 121.52 1d1d h TYR 221 Ca 0.37 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1d1d h TYR 221 Cb 0.31 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1d1d h TYR 221 CO -0.06 0.60 0.13 0.28 -1.64 0.00 0.00 178.16 177.47 1d1d h VAL 222 N 0.38 1.07 -0.67 1.81 2.07 -0.22 0.27 116.25 120.96 1d1d h VAL 222 Ca 0.10 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1d1d h VAL 222 Cb 0.33 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1d1d h VAL 222 CO 0.00 0.07 0.28 -0.07 0.02 0.00 0.00 177.57 177.87 1d1d h LEU 223 N 0.27 0.90 -0.54 2.57 3.38 -0.20 0.48 115.31 122.18 1d1d h LEU 223 Ca 0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1d1d h LEU 223 Cb -0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1d1d h LEU 223 CO -0.02 0.80 0.21 -0.78 0.09 0.00 0.00 178.44 178.74 1d1d h ASP 224 N 0.97 0.75 -0.38 -0.43 3.58 0.22 -2.04 116.42 119.09 1d1d h ASP 224 Ca 0.23 -0.18 -0.16 0.00 0.42 0.00 0.00 57.03 57.35 1d1d h ASP 224 Cb 0.17 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 1d1d h ASP 224 CO -0.02 0.72 -0.37 -0.09 -2.88 0.00 0.00 179.24 176.60 1d1d h ARG 225 N 0.73 0.92 -0.22 0.28 9.65 0.16 -3.19 114.38 122.72 1d1d h ARG 225 Ca 0.18 -0.48 0.06 0.00 -1.10 0.00 0.00 59.98 58.63 1d1d h ARG 225 Cb 0.21 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.74 1d1d h ARG 225 CO -0.01 1.14 -0.23 1.96 2.80 0.00 0.00 179.97 185.62 1d1d h GLN 226 N 0.74 -0.24 -6.47 0.20 4.20 0.23 -3.40 115.11 110.37 1d1d h GLN 226 Ca 0.06 0.02 -0.60 0.00 0.06 0.00 0.00 58.65 58.18 1d1d h GLN 226 Cb 0.96 0.05 0.06 0.00 0.30 0.00 0.00 27.48 28.86 1d1d h GLN 226 CO 0.09 -0.16 0.67 1.17 -0.67 0.00 0.00 178.83 179.93 1d1d n LYS 227 N -5.37 1.89 -3.64 1.46 4.81 -0.79 -4.95 118.16 111.57 1d1d n LYS 227 Ca -0.01 0.68 -0.06 0.00 -0.87 0.00 0.00 58.31 58.05 1d1d n LYS 227 Cb 0.28 -2.39 -0.07 0.00 0.02 0.00 0.00 35.03 32.87 1d1d n LYS 227 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1d1d s ILE 228 N 0.56 0.00 0.03 3.15 2.07 -1.26 -4.97 121.20 120.77 1d1d s ILE 228 Ca 0.77 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.92 1d1d s ILE 228 Cb -0.73 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.86 1d1d s ILE 228 CO 0.43 0.00 0.20 0.00 -1.91 0.00 0.00 174.94 173.65 1d1d s ALA 229 N 0.06 -0.40 -2.00 1.50 0.00 -1.26 -5.25 121.76 114.42 1d1d s ALA 229 Ca 0.06 -0.20 0.24 0.00 0.00 0.00 0.00 51.96 52.06 1d1d s ALA 229 Cb -0.05 0.23 1.44 0.00 0.00 0.00 0.00 23.12 24.74 1d1d s ALA 229 CO -0.11 -0.33 1.80 -0.35 0.00 0.00 0.00 175.76 176.77