#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 0.75 -0.05 5.87 -4.23 -1.26 -5.11 115.64 111.62 1d1d s THR 12 Ca 0.00 -1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 1d1d s THR 12 Cb 0.00 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 1d1d s THR 12 CO 0.00 -0.43 1.22 -2.16 -0.54 0.00 0.00 174.62 172.71 1d1d s PRO 13 N 1.72 4.35 -0.61 3.99 0.04 -1.26 -4.96 135.00 138.27 1d1d s PRO 13 Ca 0.04 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.51 1d1d s PRO 13 Cb -0.17 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.82 1d1d s PRO 13 CO -0.17 -0.45 1.53 -1.17 0.04 0.00 0.00 177.00 176.78 1d1d s LEU 14 N 2.18 3.31 -0.12 -3.56 2.96 -1.26 -4.98 118.68 117.22 1d1d s LEU 14 Ca 0.57 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.60 1d1d s LEU 14 Cb -0.25 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1d1d s LEU 14 CO 0.23 -1.94 0.01 -1.83 -1.32 0.00 0.00 176.35 171.50 1d1d s GLU 15 N 6.02 3.29 0.22 1.98 1.03 -1.26 -5.00 118.70 124.99 1d1d s GLU 15 Ca 0.53 -0.40 0.10 0.00 0.03 0.00 0.00 54.97 55.23 1d1d s GLU 15 Cb -0.11 -2.90 0.17 0.00 -0.80 0.00 0.00 34.13 30.49 1d1d s GLU 15 CO 0.21 0.55 1.50 -1.00 -1.33 0.00 0.00 175.26 175.20 1d1d h PRO 16 N 5.68 0.00 -0.04 -4.83 0.13 -1.97 -1.89 132.00 129.07 1d1d h PRO 16 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1d1d h PRO 16 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1d1d h PRO 16 CO 0.59 0.74 -0.02 1.57 -0.23 0.00 0.00 178.00 180.64 1d1d h LYS 17 N 0.00 -0.02 -0.23 0.86 2.10 -1.98 1.18 116.57 118.48 1d1d h LYS 17 Ca -0.01 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1d1d h LYS 17 Cb 1.32 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.65 1d1d h LYS 17 CO 0.10 -0.02 -0.15 -0.07 -2.00 0.00 0.00 179.45 177.31 1d1d h LEU 18 N -0.02 0.53 -1.25 7.07 3.38 -1.99 -1.84 115.31 121.19 1d1d h LEU 18 Ca 0.03 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1d1d h LEU 18 Cb 0.06 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1d1d h LEU 18 CO -0.06 0.85 0.53 0.40 0.09 0.00 0.00 178.44 180.25 1d1d h ILE 19 N 0.21 1.10 -0.58 1.22 2.04 -1.04 0.16 117.51 120.62 1d1d h ILE 19 Ca 0.05 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.50 1d1d h ILE 19 Cb 0.67 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1d1d h ILE 19 CO 0.04 0.17 0.05 0.74 0.00 0.00 0.00 178.15 179.15 1d1d h THR 20 N 0.95 1.26 -0.28 -0.27 2.02 0.17 0.43 112.91 117.19 1d1d h THR 20 Ca 0.33 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1d1d h THR 20 Cb 0.10 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1d1d h THR 20 CO -0.10 0.38 -0.01 0.03 0.37 0.00 0.00 175.52 176.19 1d1d h ARG 21 N 0.88 0.51 -0.26 6.66 3.08 -0.36 0.19 114.38 125.07 1d1d h ARG 21 Ca 0.17 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1d1d h ARG 21 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1d1d h ARG 21 CO 0.02 0.67 0.03 -0.07 -1.07 0.00 0.00 179.97 179.55 1d1d h LEU 22 N 0.29 0.43 -1.09 3.04 3.38 -0.61 -1.06 115.31 119.70 1d1d h LEU 22 Ca 0.08 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1d1d h LEU 22 Cb 0.45 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1d1d h LEU 22 CO 0.02 0.61 0.60 0.00 0.09 0.00 0.00 178.44 179.75 1d1d h ALA 23 N 0.85 1.33 -0.49 1.53 0.00 -0.06 -1.20 119.26 121.22 1d1d h ALA 23 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1d1d h ALA 23 Cb 0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1d1d h ALA 23 CO 0.01 0.61 0.26 -0.44 0.00 0.00 0.00 179.25 179.70 1d1d h ASP 24 N 1.25 0.62 -0.75 0.00 3.32 -0.28 -1.99 116.42 118.58 1d1d h ASP 24 Ca 0.33 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1d1d h ASP 24 Cb -0.13 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1d1d h ASP 24 CO -0.07 0.54 0.50 0.74 -1.72 0.00 0.00 179.24 179.22 1d1d h THR 25 N 0.65 1.16 -0.58 0.35 2.02 -0.29 -0.47 112.91 115.75 1d1d h THR 25 Ca 0.17 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1d1d h THR 25 Cb 0.06 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.53 1d1d h THR 25 CO -0.03 0.18 0.36 0.58 0.37 0.00 0.00 175.52 176.98 1d1d h VAL 26 N 0.97 1.08 -0.11 3.16 2.07 -0.53 1.49 116.25 124.38 1d1d h VAL 26 Ca 0.29 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1d1d h VAL 26 Cb -0.04 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1d1d h VAL 26 CO -0.07 0.13 0.02 -0.09 0.02 0.00 0.00 177.57 177.58 1d1d h ARG 27 N 0.71 0.18 0.00 1.57 1.12 -0.82 1.31 114.38 118.46 1d1d h ARG 27 Ca 0.23 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.99 1d1d h ARG 27 Cb 0.01 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 1d1d h ARG 27 CO -0.09 0.38 -0.30 1.79 -3.11 0.00 0.00 179.97 178.64 1d1d h THR 28 N -0.04 1.03 0.00 0.20 1.35 -0.71 -1.69 112.91 113.05 1d1d h THR 28 Ca 0.03 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1d1d h THR 28 Cb 0.28 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 1d1d h THR 28 CO 0.00 0.29 -0.68 0.29 -0.25 0.00 0.00 175.52 175.18 1d1d n LYS 29 N -3.91 0.27 -0.04 4.72 4.76 0.51 -5.04 118.16 119.42 1d1d n LYS 29 Ca -0.02 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1d1d n LYS 29 Cb 0.37 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.36 0.57 0.26 0.72 0.00 0.45 -4.50 105.19 104.04 1d1d n GLY 30 Ca 0.03 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 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 0.92 -0.93 0.99 5.85 -1.74 -2.37 115.31 118.04 1d1d h LEU 31 Ca 0.00 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1d1d h LEU 31 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1d1d h LEU 31 CO 0.00 1.09 0.00 -1.14 -0.34 0.00 0.00 178.44 178.05 1d1d n ARG 32 N -4.21 1.62 -3.06 1.25 0.63 -1.26 -4.69 116.66 106.93 1d1d n ARG 32 Ca -0.00 -0.92 -0.24 0.00 -0.92 0.00 0.00 57.85 55.76 1d1d n ARG 32 Cb 0.41 -1.43 -0.00 0.00 0.45 0.00 0.00 32.46 31.89 1d1d n ARG 32 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1d1d s SER 33 N -1.77 6.12 -0.58 6.15 0.01 -0.89 -5.01 113.70 117.72 1d1d s SER 33 Ca 0.35 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.85 1d1d s SER 33 Cb 0.19 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.52 1d1d s SER 33 CO 0.29 -0.51 1.51 -2.16 0.41 0.00 0.00 173.24 172.78 1d1d s PRO 34 N -4.51 3.15 0.00 12.44 0.04 -1.26 -3.33 135.00 141.53 1d1d s PRO 34 Ca 0.45 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.94 1d1d s PRO 34 Cb -0.10 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.25 1d1d s PRO 34 CO 0.39 -2.12 0.00 -0.89 0.04 0.00 0.00 177.00 174.42 1d1d n ILE 35 N 6.90 0.00 -0.04 0.56 2.08 -1.26 -5.00 119.36 122.60 1d1d n ILE 35 Ca 0.13 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.35 1d1d n ILE 35 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.36 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 0.93 -0.28 1.39 2.02 -1.75 0.48 112.91 115.71 1d1d h THR 36 Ca 0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.08 1d1d h THR 36 Cb 0.00 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1d1d h THR 36 CO 0.00 0.02 -0.05 0.24 0.37 0.00 0.00 175.52 176.11 1d1d h MET 37 N 0.13 0.43 0.12 6.66 2.86 -1.90 0.42 114.93 123.65 1d1d h MET 37 Ca 0.08 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1d1d h MET 37 Cb 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1d1d h MET 37 CO -0.10 0.50 -0.06 0.00 1.06 0.00 0.00 176.91 178.31 1d1d h ALA 38 N 1.55 -0.16 -0.56 6.32 0.00 -1.74 0.37 119.26 125.04 1d1d h ALA 38 Ca 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1d1d h ALA 38 Cb 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1d1d h ALA 38 CO 0.01 -0.34 0.30 0.93 0.00 0.00 0.00 179.25 180.15 1d1d h GLU 39 N -0.65 0.78 -0.25 0.00 5.08 0.12 0.20 114.58 119.86 1d1d h GLU 39 Ca -0.02 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1d1d h GLU 39 Cb 0.50 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1d1d h GLU 39 CO 0.03 0.61 0.06 0.28 -1.00 0.00 0.00 179.01 178.98 1d1d h VAL 40 N 0.75 1.21 0.00 3.13 2.07 -0.18 -2.00 116.25 121.23 1d1d h VAL 40 Ca 0.19 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1d1d h VAL 40 Cb 0.06 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1d1d h VAL 40 CO -0.03 0.22 -0.08 -0.33 0.02 0.00 0.00 177.57 177.37 1d1d h GLU 41 N 0.22 0.00 0.37 1.57 5.08 0.06 0.63 114.58 122.52 1d1d h GLU 41 Ca 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1d1d h GLU 41 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1d1d h GLU 41 CO 0.00 0.08 -0.18 0.00 -1.00 0.00 0.00 179.01 177.91 1d1d h ALA 42 N 1.92 -0.49 -0.12 3.43 0.00 0.11 0.94 119.26 125.05 1d1d h ALA 42 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1d1d h ALA 42 Cb 0.23 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1d1d h ALA 42 CO 0.01 -0.61 -0.16 1.37 0.00 0.00 0.00 179.25 179.87 1d1d h LEU 43 N -0.83 0.35 -0.01 0.00 8.10 -1.08 -2.75 115.31 119.09 1d1d h LEU 43 Ca -0.05 -0.51 0.00 0.00 0.11 0.00 0.00 57.88 57.43 1d1d h LEU 43 Cb 0.53 -0.10 0.00 0.00 -0.44 0.00 0.00 40.66 40.65 1d1d h LEU 43 CO 0.08 0.79 0.00 0.23 -4.11 0.00 0.00 178.44 175.43 1d1d n MET 44 N -4.56 0.00 -0.32 0.17 2.81 0.22 -3.59 117.12 111.85 1d1d n MET 44 Ca -0.07 0.24 0.28 0.00 -1.81 0.00 0.00 57.70 56.34 1d1d n MET 44 Cb 0.37 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.86 1d1d n MET 44 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1d1d n SER 45 N -1.51 0.17 -4.86 7.83 7.64 0.32 -4.21 113.62 119.01 1d1d n SER 45 Ca 0.04 1.04 -0.21 0.00 1.01 0.00 0.00 58.87 60.74 1d1d n SER 45 Cb 0.18 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1d1d n SER 45 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1d1d s SER 46 N -4.42 5.34 0.46 6.43 0.01 -1.24 -5.06 113.70 115.23 1d1d s SER 46 Ca -0.06 -0.47 -0.21 0.00 1.31 0.00 0.00 55.95 56.52 1d1d s SER 46 Cb 0.23 -1.00 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 1d1d s SER 46 CO 0.58 -0.35 1.04 -2.16 0.41 0.00 0.00 173.24 172.76 1d1d s PRO 47 N -4.00 3.90 0.35 12.44 0.04 -1.26 -4.97 135.00 141.50 1d1d s PRO 47 Ca 0.41 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1d1d s PRO 47 Cb -0.06 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1d1d s PRO 47 CO 0.27 -0.35 0.45 1.47 0.04 0.00 0.00 177.00 178.87 1d1d n LEU 48 N -0.72 0.00 -4.89 -3.56 -0.00 -1.26 -4.99 117.00 101.58 1d1d n LEU 48 Ca 0.08 -2.92 -0.29 0.00 -0.00 0.00 0.00 56.01 52.88 1d1d n LEU 48 Cb 0.52 2.36 0.02 0.00 -0.00 0.00 0.00 43.42 46.32 1d1d n LEU 48 CO 0.41 -0.63 0.63 -0.76 -0.00 0.00 0.00 177.39 177.04 1d1d s LEU 49 N 0.00 3.27 0.18 1.47 1.43 -1.26 -4.66 118.68 119.11 1d1d s LEU 49 Ca 0.31 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 1d1d s LEU 49 Cb -0.00 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 42.17 1d1d s LEU 49 CO 0.22 -0.91 1.42 1.55 0.23 0.00 0.00 176.35 178.86 1d1d h PRO 50 N -0.23 0.23 -0.27 1.29 0.13 -1.90 -2.33 132.00 128.92 1d1d h PRO 50 Ca -0.45 -0.22 -0.08 0.00 -0.87 0.00 0.00 66.00 64.38 1d1d h PRO 50 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1d1d h PRO 50 CO 0.62 0.92 -0.14 1.25 -0.23 0.00 0.00 178.00 180.42 1d1d h HIS 51 N 0.14 0.66 -0.23 1.56 2.76 -1.93 -2.78 115.15 115.33 1d1d h HIS 51 Ca -0.04 -0.16 -0.05 0.00 -2.20 0.00 0.00 60.37 57.92 1d1d h HIS 51 Cb 1.41 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 30.20 1d1d h HIS 51 CO 0.03 0.82 -0.09 -0.44 -1.30 0.00 0.00 177.93 176.95 1d1d h ASP 52 N 0.31 0.34 -0.51 3.26 3.32 -1.96 -2.31 116.42 118.86 1d1d h ASP 52 Ca 0.06 -0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.12 1d1d h ASP 52 Cb 0.65 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.05 1d1d h ASP 52 CO 0.04 0.46 0.16 0.58 -1.72 0.00 0.00 179.24 178.77 1d1d h VAL 53 N 0.34 0.80 -0.33 -1.35 2.07 -1.14 0.70 116.25 117.34 1d1d h VAL 53 Ca 0.07 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1d1d h VAL 53 Cb 0.37 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1d1d h VAL 53 CO 0.02 0.06 -0.12 0.71 0.02 0.00 0.00 177.57 178.26 1d1d h THR 54 N 0.33 1.24 -0.30 2.57 1.35 -1.28 0.38 112.91 117.19 1d1d h THR 54 Ca 0.25 -1.06 -0.07 0.00 -0.55 0.00 0.00 66.41 64.98 1d1d h THR 54 Cb 0.29 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1d1d h THR 54 CO -0.27 0.35 -0.09 -1.13 -0.25 0.00 0.00 175.52 174.13 1d1d h ASN 55 N 0.52 0.60 -0.16 5.36 -1.24 -0.58 0.25 115.58 120.33 1d1d h ASN 55 Ca 0.09 -0.38 -0.04 0.00 0.71 0.00 0.00 56.30 56.69 1d1d h ASN 55 Cb 0.52 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.40 1d1d h ASN 55 CO 0.03 0.84 -0.04 0.25 -1.29 0.00 0.00 177.43 177.22 1d1d h LEU 56 N 0.36 0.32 -0.51 0.34 5.85 0.61 -2.60 115.31 119.68 1d1d h LEU 56 Ca 0.07 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1d1d h LEU 56 Cb 0.59 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1d1d h LEU 56 CO 0.03 0.61 0.33 0.24 -0.34 0.00 0.00 178.44 179.31 1d1d h MET 57 N 0.02 0.64 -0.80 1.25 2.86 -0.20 -1.62 114.93 117.08 1d1d h MET 57 Ca 0.04 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 1d1d h MET 57 Cb 0.47 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 1d1d h MET 57 CO 0.02 0.42 0.52 -0.09 1.06 0.00 0.00 176.91 178.84 1d1d h ARG 58 N 0.66 0.62 -0.20 1.72 2.43 -0.42 2.02 114.38 121.20 1d1d h ARG 58 Ca 0.19 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1d1d h ARG 58 Cb -0.05 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 1d1d h ARG 58 CO -0.06 0.41 -0.36 0.28 -1.51 0.00 0.00 179.97 178.74 1d1d h VAL 59 N 0.64 1.29 0.14 0.20 2.07 -0.92 -3.12 116.25 116.55 1d1d h VAL 59 Ca 0.38 -1.46 -0.20 0.00 0.82 0.00 0.00 66.70 66.24 1d1d h VAL 59 Cb 0.59 1.54 0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1d1d h VAL 59 CO -0.15 0.45 -0.91 0.40 0.02 0.00 0.00 177.57 177.39 1d1d h ILE 60 N 0.37 1.44 -3.39 4.57 2.04 0.12 -3.45 117.51 119.20 1d1d h ILE 60 Ca 0.04 -2.52 -0.67 0.00 1.00 0.00 0.00 64.86 62.71 1d1d h ILE 60 Cb 0.80 3.12 -0.30 0.00 -0.74 0.00 0.00 36.82 39.71 1d1d h ILE 60 CO 0.06 0.71 -0.82 -1.48 0.00 0.00 0.00 178.15 176.63 1d1d s LEU 61 N -7.83 2.41 0.00 1.44 2.34 0.65 -4.96 118.68 112.73 1d1d s LEU 61 Ca -0.15 -0.43 -0.05 0.00 0.06 0.00 0.00 54.13 53.56 1d1d s LEU 61 Cb 0.01 -1.51 0.08 0.00 -0.56 0.00 0.00 46.19 44.21 1d1d s LEU 61 CO 0.82 0.17 0.17 0.61 -1.06 0.00 0.00 176.35 177.07 1d1d n GLY 62 N 3.45 -2.15 0.25 -3.48 0.00 -1.24 -3.89 105.19 98.12 1d1d n GLY 62 Ca -0.18 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.50 1.61 0.13 -1.96 -2.41 132.00 129.87 1d1d h PRO 63 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 1d1d h PRO 63 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1d1d h PRO 63 CO 0.05 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 177.58 1d1d h ALA 64 N 2.01 -0.67 0.00 -0.56 0.00 -1.89 -3.07 119.26 115.08 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 0.75 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1d1d h ALA 64 CO 0.00 -0.64 0.00 -0.35 0.00 0.00 0.00 179.25 178.26 1d1d n PRO 65 N -5.23 0.75 -0.02 0.00 -0.04 -1.23 -3.19 135.00 126.04 1d1d n PRO 65 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 1d1d n PRO 65 Cb 0.28 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.29 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 0.49 -0.07 0.54 3.20 -1.33 -2.20 116.97 117.61 1d1d h TYR 66 Ca 0.00 -0.23 -0.07 0.00 3.14 0.00 0.00 58.73 61.57 1d1d h TYR 66 Cb 0.00 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1d1d h TYR 66 CO 0.00 1.00 -0.28 0.00 -1.64 0.00 0.00 178.16 177.24 1d1d h ALA 67 N 0.39 1.41 -0.36 1.82 0.00 -1.61 0.42 119.26 121.33 1d1d h ALA 67 Ca -0.04 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 1d1d h ALA 67 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1d1d h ALA 67 CO 0.08 0.42 -0.10 -0.07 0.00 0.00 0.00 179.25 179.58 1d1d h LEU 68 N 0.11 0.72 -0.83 0.00 4.07 -1.68 0.57 115.31 118.27 1d1d h LEU 68 Ca 0.02 -0.37 -0.10 0.00 0.08 0.00 0.00 57.88 57.50 1d1d h LEU 68 Cb 0.56 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1d1d h LEU 68 CO 0.04 0.92 -0.25 -0.25 -1.08 0.00 0.00 178.44 177.82 1d1d h TRP 69 N 0.51 0.66 -0.38 1.13 7.01 -0.93 -0.98 115.95 122.97 1d1d h TRP 69 Ca 0.09 -0.15 -0.09 0.00 2.11 0.00 0.00 58.89 60.86 1d1d h TRP 69 Cb 0.62 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1d1d h TRP 69 CO 0.05 0.78 -0.13 1.98 -2.79 0.00 0.00 178.44 178.34 1d1d h MET 70 N 0.51 0.67 -0.27 2.65 4.05 -0.59 1.10 114.93 123.05 1d1d h MET 70 Ca 0.07 -0.22 -0.15 0.00 -0.28 0.00 0.00 59.70 59.12 1d1d h MET 70 Cb 0.71 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1d1d h MET 70 CO 0.05 0.78 -0.42 0.22 0.23 0.00 0.00 176.91 177.78 1d1d h ASP 71 N 0.61 0.84 0.08 1.39 1.82 -0.49 -1.27 116.42 119.40 1d1d h ASP 71 Ca 0.10 -0.51 -0.20 0.00 -0.39 0.00 0.00 57.03 56.03 1d1d h ASP 71 Cb 0.57 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1d1d h ASP 71 CO 0.04 1.19 -0.75 0.00 -1.61 0.00 0.00 179.24 178.10 1d1d h ALA 72 N 0.67 0.47 -0.96 -0.78 0.00 -0.94 -2.48 119.26 115.24 1d1d h ALA 72 Ca 0.03 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.34 1d1d h ALA 72 Cb 1.01 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 1d1d h ALA 72 CO 0.10 0.73 0.63 2.35 0.00 0.00 0.00 179.25 183.05 1d1d h TRP 73 N 0.39 1.21 -0.68 0.00 7.01 0.13 0.42 115.95 124.43 1d1d h TRP 73 Ca -0.04 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.92 1d1d h TRP 73 Cb 1.35 -0.41 -0.03 0.00 -2.10 0.00 0.00 29.16 27.98 1d1d h TRP 73 CO 0.06 0.76 0.19 0.78 -2.79 0.00 0.00 178.44 177.44 1d1d h GLY 74 N 1.30 1.15 0.75 2.65 0.00 -1.09 0.30 103.07 108.13 1d1d h GLY 74 Ca 0.35 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1d1d h GLY 74 CO -0.07 0.66 -0.05 -2.08 0.00 0.00 0.00 176.54 174.99 1d1d h VAL 75 N 1.00 1.30 -0.46 4.60 2.07 -0.86 -1.81 116.25 122.10 1d1d h VAL 75 Ca 0.21 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1d1d h VAL 75 Cb 0.34 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1d1d h VAL 75 CO -0.00 0.31 0.28 1.56 0.02 0.00 0.00 177.57 179.74 1d1d h GLN 76 N -0.03 0.62 -0.70 1.57 7.50 -0.04 -1.33 115.11 122.69 1d1d h GLN 76 Ca 0.03 -0.05 0.07 0.00 0.50 0.00 0.00 58.65 59.21 1d1d h GLN 76 Cb 0.51 -0.13 -0.06 0.00 0.05 0.00 0.00 27.48 27.84 1d1d h GLN 76 CO 0.02 0.44 0.37 -0.07 -1.50 0.00 0.00 178.83 178.10 1d1d h LEU 77 N 0.61 0.53 -1.36 1.46 3.38 -0.34 0.47 115.31 120.07 1d1d h LEU 77 Ca 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1d1d h LEU 77 Cb -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1d1d h LEU 77 CO -0.03 0.33 0.20 1.56 0.09 0.00 0.00 178.44 180.59 1d1d h GLN 78 N 0.67 0.64 -0.48 1.13 4.20 -0.71 -1.42 115.11 119.14 1d1d h GLN 78 Ca 0.33 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1d1d h GLN 78 Cb 0.27 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 1d1d h GLN 78 CO -0.22 0.51 0.17 1.15 -0.67 0.00 0.00 178.83 179.77 1d1d h THR 79 N 0.64 1.19 -0.16 -0.54 2.02 0.19 0.27 112.91 116.52 1d1d h THR 79 Ca 0.16 -0.62 -0.15 0.00 0.77 0.00 0.00 66.41 66.56 1d1d h THR 79 Cb 0.09 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1d1d h THR 79 CO -0.02 0.24 -0.55 0.58 0.37 0.00 0.00 175.52 176.14 1d1d h VAL 80 N 0.69 1.33 0.01 3.16 2.07 -0.56 0.45 116.25 123.41 1d1d h VAL 80 Ca 0.16 -1.81 -0.00 0.00 0.82 0.00 0.00 66.70 65.87 1d1d h VAL 80 Cb 0.18 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1d1d h VAL 80 CO -0.01 0.56 -0.01 0.40 0.02 0.00 0.00 177.57 178.53 1d1d h ILE 81 N 0.36 1.36 -0.50 4.57 1.08 -0.59 0.14 117.51 123.93 1d1d h ILE 81 Ca 0.01 -1.14 -0.08 0.00 -0.39 0.00 0.00 64.86 63.26 1d1d h ILE 81 Cb 1.07 2.13 -0.02 0.00 -3.07 0.00 0.00 36.82 36.93 1d1d h ILE 81 CO 0.10 0.29 -0.00 0.00 -0.69 0.00 0.00 178.15 177.85 1d1d h ALA 82 N 0.47 1.05 -0.09 1.87 0.00 -0.48 0.16 119.26 122.25 1d1d h ALA 82 Ca -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1d1d h ALA 82 Cb 0.49 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1d1d h ALA 82 CO 0.00 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.89 1d1d h ALA 83 N 1.21 0.11 -0.36 0.00 0.00 -0.05 0.45 119.26 120.62 1d1d h ALA 83 Ca 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1d1d h ALA 83 Cb 0.47 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1d1d h ALA 83 CO 0.02 -0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.09 1d1d h ALA 84 N 0.95 0.47 0.00 0.00 0.00 -0.69 0.55 119.26 120.53 1d1d h ALA 84 Ca 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1d1d h ALA 84 Cb 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1d1d h ALA 84 CO -0.00 0.05 -0.10 1.15 0.00 0.00 0.00 179.25 180.34 1d1d h THR 85 N 0.44 0.97 -0.04 0.00 2.02 -0.41 -2.26 112.91 113.64 1d1d h THR 85 Ca 0.12 -0.36 -0.18 0.00 0.77 0.00 0.00 66.41 66.76 1d1d h THR 85 Cb 0.15 1.20 0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1d1d h THR 85 CO -0.01 0.10 -0.69 -0.09 0.37 0.00 0.00 175.52 175.19 1d1d h ARG 86 N 0.00 0.54 -4.33 6.66 2.43 0.75 -3.43 114.38 117.00 1d1d h ARG 86 Ca -0.00 -0.53 -0.57 0.00 -0.81 0.00 0.00 59.98 58.07 1d1d h ARG 86 Cb 0.19 0.14 -0.37 0.00 -0.42 0.00 0.00 29.97 29.51 1d1d h ARG 86 CO 0.01 1.16 -0.80 0.34 -1.51 0.00 0.00 179.97 179.17 1d1d s ASP 87 N -6.89 2.95 -0.59 -3.80 2.15 0.10 -5.02 116.67 105.58 1d1d s ASP 87 Ca -0.12 -0.69 -0.06 0.00 0.43 0.00 0.00 52.55 52.11 1d1d s ASP 87 Cb 0.05 -1.03 -0.14 0.00 -0.30 0.00 0.00 42.92 41.51 1d1d s ASP 87 CO 0.85 -0.16 2.66 -0.81 -0.17 0.00 0.00 175.17 177.55 1d1d n PRO 88 N 4.81 2.11 -0.29 4.34 -0.04 -1.21 -3.21 135.00 141.50 1d1d n PRO 88 Ca -0.13 -1.24 0.00 0.00 -0.04 0.00 0.00 63.50 62.09 1d1d n PRO 88 Cb 0.48 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 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 3.26 0.00 -2.80 0.54 1.74 -1.26 -5.09 116.66 113.04 1d1d n ARG 89 Ca 0.45 -0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 56.47 1d1d n ARG 89 Cb 0.44 -0.41 -0.05 0.00 -1.02 0.00 0.00 32.46 31.41 1d1d n ARG 89 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1d1d s HIS 90 N 0.00 3.87 -0.09 -1.55 2.46 -1.20 -4.94 115.29 113.83 1d1d s HIS 90 Ca 0.00 1.77 0.25 0.00 0.47 0.00 0.00 55.06 57.55 1d1d s HIS 90 Cb 0.00 -2.96 0.75 0.00 -0.13 0.00 0.00 32.58 30.24 1d1d s HIS 90 CO 0.00 0.33 1.75 -1.00 -2.47 0.00 0.00 174.74 173.35 1d1d h PRO 91 N 5.00 0.00 0.00 2.88 0.13 -1.95 -2.83 132.00 135.23 1d1d h PRO 91 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1d1d h PRO 91 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1d1d h PRO 91 CO 0.70 0.13 -0.05 0.00 -0.23 0.00 0.00 178.00 178.55 1d1d h ALA 92 N 1.87 1.12 -2.61 -0.56 0.00 -1.92 -3.39 119.26 113.78 1d1d h ALA 92 Ca -0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.31 1d1d h ALA 92 Cb 0.85 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1d1d h ALA 92 CO 0.02 0.06 -0.48 0.54 0.00 0.00 0.00 179.25 179.38 1d1d s ASN 93 N -5.71 6.22 0.00 0.00 2.20 -1.07 -4.56 114.94 112.02 1d1d s ASN 93 Ca -0.02 0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.03 1d1d s ASN 93 Cb 0.12 -1.84 0.00 0.00 -2.00 0.00 0.00 41.25 37.53 1d1d s ASN 93 CO 0.52 0.06 0.00 0.61 -2.94 0.00 0.00 177.10 175.35 1d1d n GLY 94 N -0.45 1.04 2.20 0.45 0.00 -1.26 -4.82 105.19 102.35 1d1d n GLY 94 Ca -0.07 0.46 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 1d1d n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d1d n GLN 95 N 0.00 0.99 0.00 1.61 6.02 -1.26 -4.76 117.38 119.97 1d1d n GLN 95 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 57.00 55.57 1d1d n GLN 95 Cb 0.00 0.22 0.00 0.00 1.02 0.00 0.00 30.24 31.48 1d1d n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1d1d n GLY 96 N -0.97 1.36 0.00 1.08 0.00 -1.26 -3.57 105.19 101.84 1d1d n GLY 96 Ca -0.17 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.16 1d1d n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1d1d n ARG 97 N 6.86 0.84 -0.12 1.61 1.85 -1.26 -3.36 116.66 123.07 1d1d n ARG 97 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1d1d n ARG 97 Cb 0.00 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 29.81 1d1d n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1d1d n GLY 98 N 0.67 -0.61 3.94 2.89 0.00 -1.23 -4.95 105.19 105.90 1d1d n GLY 98 Ca 0.20 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1d1d n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1d1d n GLU 99 N -4.33 -0.79 -4.02 1.61 0.00 -1.21 -4.82 120.64 107.08 1d1d n GLU 99 Ca -0.44 0.11 -0.31 0.00 0.00 0.00 0.00 57.16 56.52 1d1d n GLU 99 Cb 0.79 -3.69 -0.16 0.00 0.00 0.00 0.00 31.44 28.38 1d1d n GLU 99 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1d1d s ARG 100 N -6.04 2.24 0.91 3.44 3.52 -1.26 -4.10 118.95 117.66 1d1d s ARG 100 Ca 0.61 -0.72 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 1d1d s ARG 100 Cb -0.36 -2.29 0.14 0.00 -1.56 0.00 0.00 34.95 30.88 1d1d s ARG 100 CO 0.82 -0.32 1.13 -0.08 -0.81 0.00 0.00 175.30 176.04 1d1d s THR 101 N 1.42 2.09 -0.02 4.11 -1.32 -1.26 -4.63 115.64 116.04 1d1d s THR 101 Ca 0.02 0.03 -0.08 0.00 -1.21 0.00 0.00 61.69 60.45 1d1d s THR 101 Cb -0.14 -2.75 0.01 0.00 -1.51 0.00 0.00 72.50 68.10 1d1d s THR 101 CO -0.10 -0.04 0.18 0.21 -2.21 0.00 0.00 174.62 172.66 1d1d s ASN 102 N -3.97 -0.05 0.33 8.08 3.84 -1.26 -5.00 114.94 116.91 1d1d s ASN 102 Ca 0.64 -0.04 0.03 0.00 0.21 0.00 0.00 52.86 53.70 1d1d s ASN 102 Cb -0.15 0.26 0.58 0.00 -0.55 0.00 0.00 41.25 41.39 1d1d s ASN 102 CO 0.54 -0.32 1.88 0.25 -2.79 0.00 0.00 177.10 176.66 1d1d h LEU 103 N 4.54 0.55 -0.33 3.21 5.85 -1.98 -1.86 115.31 125.29 1d1d h LEU 103 Ca -0.30 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1d1d h LEU 103 Cb 1.19 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1d1d h LEU 103 CO 0.40 0.59 0.08 -0.78 -0.34 0.00 0.00 178.44 178.39 1d1d h ASP 104 N 0.58 0.50 -0.43 1.25 1.82 -1.98 0.20 116.42 118.35 1d1d h ASP 104 Ca 0.13 -0.23 0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1d1d h ASP 104 Cb 0.29 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 1d1d h ASP 104 CO 0.00 0.60 0.18 -0.09 -1.61 0.00 0.00 179.24 178.32 1d1d h ARG 105 N 0.37 0.36 0.00 0.28 9.65 -1.83 0.53 114.38 123.74 1d1d h ARG 105 Ca 0.10 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1d1d h ARG 105 Cb 0.30 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1d1d h ARG 105 CO 0.00 0.24 -0.20 -0.07 2.80 0.00 0.00 179.97 182.74 1d1d h LEU 106 N 0.37 0.00 -0.10 3.80 3.38 -1.15 -2.98 115.31 118.62 1d1d h LEU 106 Ca 0.20 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1d1d h LEU 106 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1d1d h LEU 106 CO -0.17 0.20 -0.10 0.50 0.09 0.00 0.00 178.44 178.96 1d1d h LYS 107 N 0.00 -0.12 0.00 1.13 1.63 0.17 -3.45 116.57 115.92 1d1d h LYS 107 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1d1d h LYS 107 Cb 0.65 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1d1d h LYS 107 CO 0.03 -0.08 0.00 0.41 -3.45 0.00 0.00 179.45 176.35 1d1d n GLY 108 N -1.24 1.58 0.36 5.01 0.00 -1.03 -4.79 105.19 105.08 1d1d n GLY 108 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 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 1.61 -4.75 0.99 7.94 -1.25 -4.28 117.00 117.26 1d1d n LEU 109 Ca 0.00 -0.83 -0.42 0.00 -1.11 0.00 0.00 56.01 53.65 1d1d n LEU 109 Cb 0.00 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 43.95 1d1d n LEU 109 CO 0.00 0.31 1.06 0.00 -1.11 0.00 0.00 177.39 177.65 1d1d n ALA 110 N 0.07 2.01 -1.72 1.96 0.00 -1.26 -4.70 120.51 116.86 1d1d n ALA 110 Ca 0.06 0.35 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 1d1d n ALA 110 Cb 0.29 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.36 1d1d n ALA 110 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d1d n ASP 111 N 0.68 3.21 0.00 0.00 9.92 -1.26 -1.41 116.55 127.69 1d1d n ASP 111 Ca 0.03 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 1d1d n ASP 111 Cb 0.38 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.33 1d1d n ASP 111 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d1d n GLY 112 N 1.31 2.84 0.12 0.44 0.00 -1.26 -4.82 105.19 103.82 1d1d n GLY 112 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1d1d n GLY 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d1d n MET 113 N -2.00 0.65 -2.63 1.61 2.81 -0.50 -4.01 117.12 113.05 1d1d n MET 113 Ca 0.00 0.12 -0.41 0.00 -1.81 0.00 0.00 57.70 55.60 1d1d n MET 113 Cb 0.00 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 30.97 1d1d n MET 113 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1d1d s VAL 114 N -2.49 4.13 0.00 2.03 -7.23 -1.18 -3.08 120.40 112.58 1d1d s VAL 114 Ca -0.30 1.86 0.00 0.00 -1.81 0.00 0.00 61.98 61.73 1d1d s VAL 114 Cb 0.08 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.83 1d1d s VAL 114 CO 0.60 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 176.33 1d1d n GLY 115 N 2.01 0.71 3.50 2.32 0.00 -1.26 -5.02 105.19 107.45 1d1d n GLY 115 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1d1d n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1d1d s ASN 116 N -2.67 -1.10 0.04 1.61 -0.87 -1.18 -5.03 114.94 105.74 1d1d s ASN 116 Ca 0.00 1.29 -0.17 0.00 -1.57 0.00 0.00 52.86 52.41 1d1d s ASN 116 Cb 0.00 2.16 -0.21 0.00 -0.02 0.00 0.00 41.25 43.18 1d1d s ASN 116 CO 0.00 -0.21 1.18 1.55 -2.57 0.00 0.00 177.10 177.05 1d1d h PRO 117 N 7.93 0.56 0.00 -0.60 0.13 -1.96 -1.92 132.00 136.14 1d1d h PRO 117 Ca -0.19 -0.54 -0.09 0.00 -0.87 0.00 0.00 66.00 64.31 1d1d h PRO 117 Cb 1.12 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1d1d h PRO 117 CO 0.12 1.17 -0.44 1.96 -0.23 0.00 0.00 178.00 180.58 1d1d h GLN 118 N 0.16 0.00 -0.10 0.86 7.50 -1.96 -2.80 115.11 118.77 1d1d h GLN 118 Ca -0.08 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.84 1d1d h GLN 118 Cb 1.38 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.93 1d1d h GLN 118 CO 0.14 0.44 -0.85 0.78 -1.50 0.00 0.00 178.83 177.84 1d1d h GLY 119 N 2.67 0.83 1.07 3.46 0.00 -1.86 -1.98 103.07 107.26 1d1d h GLY 119 Ca -0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 47.33 45.97 1d1d h GLY 119 CO 0.06 1.13 0.03 0.06 0.00 0.00 0.00 176.54 177.81 1d1d h GLN 120 N 0.47 1.06 -0.48 4.80 3.07 -1.33 0.47 115.11 123.16 1d1d h GLN 120 Ca -0.08 -0.32 -0.10 0.00 0.09 0.00 0.00 58.65 58.24 1d1d h GLN 120 Cb 1.49 -0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.93 1d1d h GLN 120 CO 0.17 1.02 -0.08 0.00 0.09 0.00 0.00 178.83 180.03 1d1d h ALA 121 N 1.00 0.94 0.00 0.06 0.00 -1.52 0.58 119.26 120.32 1d1d h ALA 121 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1d1d h ALA 121 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1d1d h ALA 121 CO 0.03 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1d1d h ALA 122 N 1.11 1.00 0.16 0.00 0.00 -1.01 -3.19 119.26 117.33 1d1d h ALA 122 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1d1d h ALA 122 Cb 0.59 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1d1d h ALA 122 CO 0.04 0.00 -1.37 1.25 0.00 0.00 0.00 179.25 179.17 1d1d h LEU 123 N 0.00 0.52 -8.53 0.00 6.46 0.77 -3.43 115.31 111.11 1d1d h LEU 123 Ca 0.00 -0.90 -0.55 0.00 -0.12 0.00 0.00 57.88 56.31 1d1d h LEU 123 Cb 0.87 -0.17 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1d1d h LEU 123 CO 0.00 1.62 1.01 -0.76 -0.62 0.00 0.00 178.44 179.69 1d1d s LEU 124 N -7.58 3.38 0.94 2.25 1.43 0.20 -4.98 118.68 114.31 1d1d s LEU 124 Ca -0.16 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 1d1d s LEU 124 Cb 0.04 -3.01 -0.13 0.00 0.03 0.00 0.00 46.19 43.11 1d1d s LEU 124 CO 0.83 -1.59 -0.61 -2.11 0.23 0.00 0.00 176.35 173.10 1d1d n ARG 125 N 8.69 -0.02 -2.35 1.70 0.00 -1.26 -4.76 116.66 118.66 1d1d n ARG 125 Ca 0.08 -0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.50 1d1d n ARG 125 Cb 0.49 -1.09 -0.02 0.00 -0.00 0.00 0.00 32.46 31.84 1d1d n ARG 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1d1d s PRO 126 N -2.06 3.49 0.00 2.89 0.04 -1.26 -3.57 135.00 134.54 1d1d s PRO 126 Ca 0.44 0.84 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1d1d s PRO 126 Cb -0.22 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1d1d s PRO 126 CO 0.79 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1d1d n GLY 127 N 5.14 2.19 0.27 0.56 0.00 -1.26 -4.95 105.19 107.14 1d1d n GLY 127 Ca 0.16 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 0.22 -0.22 1.61 5.08 -1.75 -1.90 114.58 117.61 1d1d h GLU 128 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1d1d h GLU 128 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1d1d h GLU 128 CO 0.00 0.17 0.06 -0.07 -1.00 0.00 0.00 179.01 178.17 1d1d h LEU 129 N 0.22 0.05 -1.07 1.33 3.38 -1.83 -0.44 115.31 116.95 1d1d h LEU 129 Ca 0.06 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1d1d h LEU 129 Cb 0.02 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1d1d h LEU 129 CO -0.01 0.06 0.63 0.58 0.09 0.00 0.00 178.44 179.78 1d1d h VAL 130 N 0.16 1.21 -0.84 1.22 2.07 -1.65 0.10 116.25 118.51 1d1d h VAL 130 Ca 0.10 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.23 1d1d h VAL 130 Cb 0.08 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.65 1d1d h VAL 130 CO -0.12 0.23 0.54 0.00 0.02 0.00 0.00 177.57 178.24 1d1d h ALA 131 N 1.42 1.13 -0.40 1.67 0.00 -0.86 0.59 119.26 122.82 1d1d h ALA 131 Ca 0.36 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1d1d h ALA 131 Cb -0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1d1d h ALA 131 CO -0.09 0.35 -0.31 0.82 0.00 0.00 0.00 179.25 180.01 1d1d h ILE 132 N 1.03 1.27 -0.36 0.00 2.04 0.15 -1.03 117.51 120.61 1d1d h ILE 132 Ca 0.35 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1d1d h ILE 132 Cb 0.05 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1d1d h ILE 132 CO -0.13 0.49 0.09 0.74 0.00 0.00 0.00 178.15 179.35 1d1d h THR 133 N 0.74 1.22 -0.73 -0.27 2.02 0.35 0.57 112.91 116.81 1d1d h THR 133 Ca 0.08 -0.74 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1d1d h THR 133 Cb 0.88 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 1d1d h THR 133 CO 0.08 0.25 0.35 0.00 0.37 0.00 0.00 175.52 176.57 1d1d h ALA 134 N 0.94 0.94 -0.41 6.16 0.00 0.24 0.27 119.26 127.40 1d1d h ALA 134 Ca 0.11 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1d1d h ALA 134 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1d1d h ALA 134 CO 0.00 0.51 -0.31 1.03 0.00 0.00 0.00 179.25 180.47 1d1d h SER 135 N 1.02 0.95 -0.77 0.00 0.87 -0.90 -1.76 113.55 112.97 1d1d h SER 135 Ca 0.25 -0.40 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1d1d h SER 135 Cb 0.12 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 1d1d h SER 135 CO -0.03 1.18 0.46 0.00 -0.53 0.00 0.00 176.83 177.91 1d1d h ALA 136 N 0.87 0.98 -0.36 6.23 0.00 0.65 0.20 119.26 127.83 1d1d h ALA 136 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1d1d h ALA 136 Cb 0.89 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1d1d h ALA 136 CO 0.08 0.45 0.15 -0.07 0.00 0.00 0.00 179.25 179.86 1d1d h LEU 137 N 1.05 0.50 -1.58 0.00 4.07 -0.77 -1.74 115.31 116.83 1d1d h LEU 137 Ca 0.27 -0.16 -0.04 0.00 0.08 0.00 0.00 57.88 58.04 1d1d h LEU 137 Cb -0.03 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 1d1d h LEU 137 CO -0.05 0.52 -0.14 1.56 -1.08 0.00 0.00 178.44 179.25 1d1d h GLN 138 N 0.44 0.09 -0.19 1.13 1.08 -0.73 -1.25 115.11 115.69 1d1d h GLN 138 Ca 0.12 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1d1d h GLN 138 Cb 0.18 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1d1d h GLN 138 CO -0.01 0.24 -0.31 0.00 -0.95 0.00 0.00 178.83 177.80 1d1d h ALA 139 N 1.77 1.13 -0.21 3.87 0.00 0.10 -2.46 119.26 123.46 1d1d h ALA 139 Ca 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1d1d h ALA 139 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1d1d h ALA 139 CO 0.02 0.55 -0.02 0.35 0.00 0.00 0.00 179.25 180.15 1d1d h PHE 140 N 0.32 0.42 0.00 0.00 3.04 -0.39 -2.55 116.94 117.79 1d1d h PHE 140 Ca 0.04 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.90 1d1d h PHE 140 Cb 0.71 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.11 1d1d h PHE 140 CO 0.02 0.60 -0.05 0.00 -2.02 0.00 0.00 178.31 176.86 1d1d h ARG 141 N 0.13 0.00 -0.30 1.11 3.08 -1.31 0.38 114.38 117.47 1d1d h ARG 141 Ca 0.06 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1d1d h ARG 141 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 1d1d h ARG 141 CO 0.01 0.05 -0.33 1.49 -1.07 0.00 0.00 179.97 180.13 1d1d h GLU 142 N 0.00 0.76 0.01 0.04 4.22 -1.08 -0.63 114.58 117.89 1d1d h GLU 142 Ca -0.00 -0.41 -0.21 0.00 0.08 0.00 0.00 59.36 58.82 1d1d h GLU 142 Cb 0.11 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1d1d h GLU 142 CO 0.01 1.03 -0.83 0.28 -2.18 0.00 0.00 179.01 177.32 1d1d h VAL 143 N 0.52 1.36 -0.81 0.32 2.07 -0.91 -2.45 116.25 116.34 1d1d h VAL 143 Ca 0.04 -2.18 0.06 0.00 0.82 0.00 0.00 66.70 65.44 1d1d h VAL 143 Cb 0.91 2.54 -0.06 0.00 -1.52 0.00 0.00 31.29 33.15 1d1d h VAL 143 CO 0.08 0.65 0.49 0.00 0.02 0.00 0.00 177.57 178.82 1d1d h ALA 144 N 0.34 1.11 -0.52 1.67 0.00 -0.29 -0.95 119.26 120.62 1d1d h ALA 144 Ca -0.11 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1d1d h ALA 144 Cb 1.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1d1d h ALA 144 CO 0.16 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1d1d h ARG 145 N 0.90 0.89 -6.56 0.00 -0.00 -1.12 -3.42 114.38 105.07 1d1d h ARG 145 Ca 0.36 -0.27 -0.52 0.00 -0.50 0.00 0.00 59.98 59.05 1d1d h ARG 145 Cb 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.03 1d1d h ARG 145 CO -0.17 0.90 0.33 -0.51 0.00 0.00 0.00 179.97 180.52 1d1d s LEU 146 N -9.19 4.52 -0.29 3.04 1.43 -0.36 -4.99 118.68 112.84 1d1d s LEU 146 Ca -0.10 1.77 -0.29 0.00 -1.03 0.00 0.00 54.13 54.48 1d1d s LEU 146 Cb 0.14 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.82 1d1d s LEU 146 CO 0.83 -0.01 1.36 0.00 0.23 0.00 0.00 176.35 178.76 1d1d s ALA 147 N -0.22 3.34 -0.38 4.21 0.00 -1.26 -4.83 121.76 122.62 1d1d s ALA 147 Ca 0.45 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 1d1d s ALA 147 Cb -0.23 -3.79 0.01 0.00 0.00 0.00 0.00 23.12 19.10 1d1d s ALA 147 CO 0.29 -1.81 0.53 -1.83 0.00 0.00 0.00 175.76 172.94 1d1d s GLU 148 N 4.27 3.48 0.88 0.00 1.03 -1.26 -5.06 118.70 122.04 1d1d s GLU 148 Ca 0.59 -0.29 -0.12 0.00 0.03 0.00 0.00 54.97 55.19 1d1d s GLU 148 Cb -0.18 -3.86 0.12 0.00 -0.80 0.00 0.00 34.13 29.41 1d1d s GLU 148 CO 0.24 -0.75 1.12 -1.25 -1.33 0.00 0.00 175.26 173.30 1d1d s PRO 149 N 2.45 1.44 0.08 -4.83 0.04 -1.26 -5.07 135.00 127.85 1d1d s PRO 149 Ca 0.19 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1d1d s PRO 149 Cb -0.15 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1d1d s PRO 149 CO 0.14 -2.02 0.12 0.00 0.04 0.00 0.00 177.00 175.29 1d1d s ALA 150 N -3.24 3.68 0.47 8.56 0.00 -1.26 -4.97 121.76 125.00 1d1d s ALA 150 Ca 0.63 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 1d1d s ALA 150 Cb -0.15 -1.54 -0.13 0.00 0.00 0.00 0.00 23.12 21.30 1d1d s ALA 150 CO 0.54 0.75 0.20 0.41 0.00 0.00 0.00 175.76 177.66 1d1d n GLY 151 N 0.35 -2.39 0.11 0.00 0.00 -1.26 -4.90 105.19 97.09 1d1d n GLY 151 Ca -0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 1d1d n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1d h PRO 152 N 0.30 0.22 -0.94 1.61 0.13 -1.97 -3.15 132.00 128.19 1d1d h PRO 152 Ca -0.41 -0.21 0.21 0.00 -0.87 0.00 0.00 66.00 64.72 1d1d h PRO 152 Cb 1.43 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.54 1d1d h PRO 152 CO 0.46 0.91 0.62 0.11 -0.23 0.00 0.00 178.00 179.87 1d1d h TRP 153 N -0.39 0.62 -0.25 1.56 0.09 -1.89 1.36 115.95 117.05 1d1d h TRP 153 Ca -0.03 0.02 -0.02 0.00 0.09 0.00 0.00 58.89 58.95 1d1d h TRP 153 Cb 1.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.16 30.04 1d1d h TRP 153 CO 0.16 0.14 0.05 0.00 0.09 0.00 0.00 178.44 178.88 1d1d h ALA 154 N 1.61 1.62 0.00 0.11 0.00 -1.91 0.08 119.26 120.77 1d1d h ALA 154 Ca 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 1d1d h ALA 154 Cb 1.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1d1d h ALA 154 CO -0.22 0.29 -0.20 0.22 0.00 0.00 0.00 179.25 179.34 1d1d h ASP 155 N 0.36 0.00 -3.06 0.00 3.58 0.17 -3.43 116.42 114.03 1d1d h ASP 155 Ca 0.09 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.96 1d1d h ASP 155 Cb 0.16 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.16 1d1d h ASP 155 CO -0.00 0.20 0.79 -0.63 -2.88 0.00 0.00 179.24 176.73 1d1d s ILE 156 N -3.11 4.59 -0.03 2.25 1.01 0.07 -5.02 121.20 120.96 1d1d s ILE 156 Ca 0.06 1.91 0.04 0.00 0.00 0.00 0.00 60.65 62.65 1d1d s ILE 156 Cb 0.06 -4.23 -0.00 0.00 0.01 0.00 0.00 42.46 38.30 1d1d s ILE 156 CO 0.70 -0.14 -0.13 -0.89 0.00 0.00 0.00 174.94 174.47 1d1d s THR 157 N 3.10 1.11 0.08 2.92 2.01 -1.26 -4.92 115.64 118.68 1d1d s THR 157 Ca 0.47 -0.56 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1d1d s THR 157 Cb -0.17 -0.95 -0.07 0.00 0.01 0.00 0.00 72.50 71.32 1d1d s THR 157 CO 0.10 0.32 1.29 -1.58 -0.69 0.00 0.00 174.62 174.07 1d1d s GLN 158 N -0.04 4.37 0.27 4.92 -0.44 -1.24 -5.03 119.66 122.47 1d1d s GLN 158 Ca -0.00 1.92 0.07 0.00 -2.50 0.00 0.00 55.36 54.84 1d1d s GLN 158 Cb -0.08 -3.31 -0.06 0.00 -1.64 0.00 0.00 33.01 27.92 1d1d s GLN 158 CO 0.01 -0.35 -0.06 0.20 0.50 0.00 0.00 175.29 175.58 1d1d s GLY 159 N 1.11 1.78 0.27 2.59 0.00 -1.26 -4.54 107.32 107.27 1d1d s GLY 159 Ca 0.62 -1.88 0.13 0.00 0.00 0.00 0.00 44.72 43.59 1d1d s GLY 159 CO 0.29 -1.82 1.56 -0.56 0.00 0.00 0.00 173.10 172.57 1d1d h PRO 160 N 2.31 0.00 0.00 2.90 0.13 -1.99 -2.80 132.00 132.56 1d1d h PRO 160 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1d1d h PRO 160 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1d1d h PRO 160 CO 0.67 0.60 0.00 0.45 -0.23 0.00 0.00 178.00 179.49 1d1d n SER 161 N -3.54 0.31 -4.42 1.44 2.88 -1.26 -4.72 113.62 104.30 1d1d n SER 161 Ca -0.00 0.53 -0.33 0.00 -1.33 0.00 0.00 58.87 57.74 1d1d n SER 161 Cb 0.67 -0.61 -0.14 0.00 -0.75 0.00 0.00 64.21 63.38 1d1d n SER 161 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1d1d s GLU 162 N -3.04 2.93 0.35 -1.46 8.01 -1.06 -5.09 118.70 119.34 1d1d s GLU 162 Ca 0.12 -0.70 -0.28 0.00 0.01 0.00 0.00 54.97 54.12 1d1d s GLU 162 Cb 0.16 -2.49 -0.12 0.00 -4.31 0.00 0.00 34.13 27.37 1d1d s GLU 162 CO 0.54 0.42 1.43 0.43 0.01 0.00 0.00 175.26 178.09 1d1d n SER 163 N 2.91 3.40 0.09 -0.19 7.64 -1.26 -4.43 113.62 121.78 1d1d n SER 163 Ca -0.18 1.21 -0.13 0.00 1.01 0.00 0.00 58.87 60.78 1d1d n SER 163 Cb 0.52 -1.56 -0.08 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.08 -0.20 -0.30 1.43 3.57 -1.95 0.70 116.94 123.26 1d1d h PHE 164 Ca -0.48 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 60.97 1d1d h PHE 164 Cb 1.26 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1d1d h PHE 164 CO 0.53 0.07 0.04 -0.24 -2.23 0.00 0.00 178.31 176.48 1d1d h VAL 165 N -0.48 1.24 -0.55 1.41 3.04 -1.95 0.29 116.25 119.25 1d1d h VAL 165 Ca -0.02 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 1d1d h VAL 165 Cb 0.37 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 1d1d h VAL 165 CO 0.04 0.27 0.35 -0.78 -1.01 0.00 0.00 177.57 176.44 1d1d h ASP 166 N 0.32 0.64 -0.57 3.17 1.82 -1.94 -1.43 116.42 118.43 1d1d h ASP 166 Ca 0.09 -0.03 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1d1d h ASP 166 Cb 0.36 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1d1d h ASP 166 CO 0.01 0.48 0.11 0.15 -1.61 0.00 0.00 179.24 178.38 1d1d h PHE 167 N 0.74 0.99 -0.86 0.28 3.57 0.65 -2.43 116.94 119.88 1d1d h PHE 167 Ca 0.20 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1d1d h PHE 167 Cb -0.06 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.35 1d1d h PHE 167 CO -0.03 0.86 0.56 0.00 -2.23 0.00 0.00 178.31 177.47 1d1d h ALA 168 N 1.01 1.60 -0.52 2.41 0.00 0.07 0.77 119.26 124.61 1d1d h ALA 168 Ca 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1d1d h ALA 168 Cb 0.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1d1d h ALA 168 CO 0.01 0.25 0.20 -0.91 0.00 0.00 0.00 179.25 178.79 1d1d h ASN 169 N 0.91 0.72 -0.57 0.00 2.35 -0.82 0.42 115.58 118.59 1d1d h ASN 169 Ca 0.38 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1d1d h ASN 169 Cb 0.30 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1d1d h ASN 169 CO -0.15 0.70 0.20 0.03 -1.65 0.00 0.00 177.43 176.56 1d1d h ARG 170 N 0.69 0.91 -0.16 0.81 3.08 -0.66 0.37 114.38 119.43 1d1d h ARG 170 Ca 0.17 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1d1d h ARG 170 Cb 0.21 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1d1d h ARG 170 CO -0.01 0.77 -0.24 1.25 -1.07 0.00 0.00 179.97 180.67 1d1d h LEU 171 N 0.89 0.49 -0.72 3.04 6.46 -0.42 -0.66 115.31 124.38 1d1d h LEU 171 Ca 0.20 -0.53 -0.02 0.00 -0.12 0.00 0.00 57.88 57.42 1d1d h LEU 171 Cb 0.23 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1d1d h LEU 171 CO -0.01 0.92 0.39 0.40 -0.62 0.00 0.00 178.44 179.52 1d1d h ILE 172 N 0.07 1.22 -0.43 4.05 2.04 0.16 0.32 117.51 124.93 1d1d h ILE 172 Ca 0.01 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 1d1d h ILE 172 Cb 0.82 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1d1d h ILE 172 CO 0.06 0.25 0.02 0.50 0.00 0.00 0.00 178.15 178.98 1d1d h LYS 173 N 1.00 0.69 0.10 2.37 3.11 -0.21 0.42 116.57 124.05 1d1d h LYS 173 Ca 0.25 -0.16 -0.01 0.00 -2.81 0.00 0.00 60.65 57.93 1d1d h LYS 173 Cb 0.05 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1d1d h LYS 173 CO -0.04 0.69 -0.05 0.00 -2.81 0.00 0.00 179.45 177.24 1d1d h ALA 174 N 1.37 -0.14 -0.28 5.00 0.00 -0.15 -1.73 119.26 123.33 1d1d h ALA 174 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1d1d h ALA 174 Cb 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1d1d h ALA 174 CO 0.01 -0.37 0.15 0.28 0.00 0.00 0.00 179.25 179.32 1d1d h VAL 175 N -0.56 1.00 -1.00 0.00 2.07 -0.20 -0.88 116.25 116.67 1d1d h VAL 175 Ca -0.01 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.55 1d1d h VAL 175 Cb 0.46 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.80 1d1d h VAL 175 CO 0.02 0.06 0.62 -0.33 0.02 0.00 0.00 177.57 177.96 1d1d h GLU 176 N 0.31 0.85 -1.00 1.57 4.39 -0.15 0.26 114.58 120.81 1d1d h GLU 176 Ca 0.12 -0.05 -0.49 0.00 0.34 0.00 0.00 59.36 59.28 1d1d h GLU 176 Cb 0.03 -0.19 -0.29 0.00 -0.10 0.00 0.00 28.75 28.20 1d1d h GLU 176 CO -0.07 0.56 0.62 0.41 -1.16 0.00 0.00 179.01 179.37 1d1d n GLY 177 N -1.35 4.35 3.58 -3.84 0.00 -0.63 -4.93 105.19 102.36 1d1d n GLY 177 Ca 0.21 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.94 1d1d n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d1d s SER 178 N -1.15 3.85 -1.23 1.61 1.04 0.92 -4.97 113.70 113.77 1d1d s SER 178 Ca 0.53 -1.19 -0.14 0.00 0.48 0.00 0.00 55.95 55.64 1d1d s SER 178 Cb 0.45 -0.39 0.16 0.00 0.10 0.00 0.00 66.02 66.33 1d1d s SER 178 CO 0.10 -0.26 1.49 -0.67 0.98 0.00 0.00 173.24 174.89 1d1d n ASP 179 N -0.86 5.18 -4.37 7.02 -0.08 -1.26 -4.96 116.55 117.22 1d1d n ASP 179 Ca -0.05 -2.97 -0.26 0.00 -1.51 0.00 0.00 54.79 50.00 1d1d n ASP 179 Cb 0.64 -1.59 -0.12 0.00 2.34 0.00 0.00 41.12 42.39 1d1d n ASP 179 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1d1d s LEU 180 N 1.83 2.38 0.79 -2.67 1.43 -1.26 -4.87 118.68 116.31 1d1d s LEU 180 Ca 0.44 -0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 52.62 1d1d s LEU 180 Cb -0.01 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.21 1d1d s LEU 180 CO 0.01 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.62 1d1d s PRO 181 N -2.41 2.11 -1.24 1.29 0.04 -1.26 -4.91 135.00 128.62 1d1d s PRO 181 Ca 0.16 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 1d1d s PRO 181 Cb -0.08 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1d1d s PRO 181 CO 0.07 -1.60 1.85 -0.35 0.04 0.00 0.00 177.00 177.01 1d1d n PRO 182 N -3.42 2.40 0.00 0.56 -0.04 -1.26 -2.24 135.00 131.00 1d1d n PRO 182 Ca 0.07 -2.84 0.00 0.00 -0.04 0.00 0.00 63.50 60.69 1d1d n PRO 182 Cb 0.56 -3.59 0.00 0.00 -0.04 0.00 0.00 33.50 30.44 1d1d n PRO 182 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1d1d n SER 183 N 11.09 0.00 0.04 3.54 7.64 -1.26 -4.94 113.62 129.73 1d1d n SER 183 Ca 0.47 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.49 1d1d n SER 183 Cb 0.46 0.00 0.48 0.00 -1.01 0.00 0.00 64.21 64.14 1d1d n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d1d n ALA 184 N 0.00 2.49 -2.07 -0.43 0.00 -0.95 -4.32 120.51 115.23 1d1d n ALA 184 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1d1d n ALA 184 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -1.77 3.26 0.00 0.00 1.74 -1.24 -2.65 116.66 116.00 1d1d n ARG 185 Ca 0.06 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 1d1d n ARG 185 Cb 0.37 -3.10 0.00 0.00 -1.02 0.00 0.00 32.46 28.71 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 4.97 0.00 0.14 7.54 0.00 -1.26 -4.89 120.51 127.00 1d1d n ALA 186 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1d1d n ALA 186 Cb 0.38 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.96 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 0.00 -0.27 0.00 0.13 -1.75 -2.49 132.00 127.62 1d1d h PRO 187 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1d1d h PRO 187 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1d1d h PRO 187 CO 0.00 0.61 -0.07 0.28 -0.23 0.00 0.00 178.00 178.59 1d1d h VAL 188 N 0.00 1.28 -0.17 1.56 2.07 -1.84 1.05 116.25 120.20 1d1d h VAL 188 Ca -0.01 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1d1d h VAL 188 Cb 1.22 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1d1d h VAL 188 CO 0.08 0.34 0.07 0.40 0.02 0.00 0.00 177.57 178.48 1d1d h ILE 189 N 0.27 1.16 -0.38 4.57 2.04 -1.78 0.20 117.51 123.58 1d1d h ILE 189 Ca 0.07 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.36 1d1d h ILE 189 Cb 0.54 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1d1d h ILE 189 CO 0.03 0.15 -0.16 0.40 0.00 0.00 0.00 178.15 178.56 1d1d h ILE 190 N 0.13 1.26 -0.75 -0.67 2.04 -1.37 -2.54 117.51 115.61 1d1d h ILE 190 Ca 0.06 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1d1d h ILE 190 Cb 0.17 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1d1d h ILE 190 CO -0.00 0.41 0.34 -0.78 0.00 0.00 0.00 178.15 178.11 1d1d h ASP 191 N 0.63 1.00 -0.41 1.72 1.82 0.16 -2.24 116.42 119.09 1d1d h ASP 191 Ca 0.10 -0.15 0.05 0.00 -0.39 0.00 0.00 57.03 56.64 1d1d h ASP 191 Cb 0.63 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 40.34 1d1d h ASP 191 CO 0.04 0.87 0.15 0.00 -1.61 0.00 0.00 179.24 178.69 1d1d h PHE 193 N 0.31 0.75 -0.55 0.00 0.04 -1.06 0.40 116.94 116.83 1d1d h PHE 193 Ca 0.19 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1d1d h PHE 193 Cb 0.17 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1d1d h PHE 193 CO -0.15 0.26 0.00 2.89 -0.60 0.00 0.00 178.31 180.71 1d1d n ARG 194 N -4.56 3.86 -0.09 1.51 1.85 -0.12 -3.65 116.66 115.46 1d1d n ARG 194 Ca 0.18 -2.90 -0.14 0.00 -1.00 0.00 0.00 57.85 53.99 1d1d n ARG 194 Cb 0.52 -1.94 -0.14 0.00 -1.05 0.00 0.00 32.46 29.85 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 0.70 0.68 -2.71 2.89 0.00 0.23 -4.84 117.38 114.32 1d1d n GLN 195 Ca 0.25 0.11 -0.05 0.00 -0.00 0.00 0.00 57.00 57.30 1d1d n GLN 195 Cb 0.94 -1.57 0.05 0.00 0.00 0.00 0.00 30.24 29.66 1d1d n GLN 195 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1d1d n LYS 196 N -3.03 0.39 -4.17 3.69 4.81 -1.02 -5.06 118.16 113.77 1d1d n LYS 196 Ca -0.36 -1.27 -0.11 0.00 -0.87 0.00 0.00 58.31 55.70 1d1d n LYS 196 Cb 1.08 -0.76 -0.10 0.00 0.02 0.00 0.00 35.03 35.27 1d1d n LYS 196 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1d1d s SER 197 N -0.25 0.49 1.03 3.14 1.04 -1.24 -3.69 113.70 114.21 1d1d s SER 197 Ca 0.28 -1.22 -0.23 0.00 0.48 0.00 0.00 55.95 55.26 1d1d s SER 197 Cb 0.16 0.26 -0.10 0.00 0.10 0.00 0.00 66.02 66.45 1d1d s SER 197 CO -0.13 -0.71 -0.92 0.00 0.98 0.00 0.00 173.24 172.46 1d1d n GLN 198 N -0.15 -0.42 0.01 4.02 3.00 -1.26 -4.54 117.38 118.04 1d1d n GLN 198 Ca -0.05 -0.12 -0.19 0.00 -0.01 0.00 0.00 57.00 56.64 1d1d n GLN 198 Cb 0.64 -1.23 -0.09 0.00 0.00 0.00 0.00 30.24 29.55 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 -1.31 0.67 -0.53 -1.09 0.13 -1.99 0.06 132.00 127.93 1d1d h PRO 199 Ca -0.44 -0.65 -0.04 0.00 -0.87 0.00 0.00 66.00 64.01 1d1d h PRO 199 Cb 1.37 0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.64 1d1d h PRO 199 CO 0.27 1.25 0.18 -0.44 -0.23 0.00 0.00 178.00 179.02 1d1d h ASP 200 N 0.33 0.76 -0.24 1.44 3.32 -1.97 1.14 116.42 121.20 1d1d h ASP 200 Ca -0.09 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 1d1d h ASP 200 Cb 1.50 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.84 1d1d h ASP 200 CO 0.17 0.76 -0.09 0.40 -1.72 0.00 0.00 179.24 178.76 1d1d h ILE 201 N 0.73 1.29 -0.12 0.35 1.08 -1.90 -0.82 117.51 118.12 1d1d h ILE 201 Ca 0.17 -1.14 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1d1d h ILE 201 Cb 0.26 1.54 -0.00 0.00 -3.07 0.00 0.00 36.82 35.54 1d1d h ILE 201 CO -0.01 0.35 0.03 -0.61 -0.69 0.00 0.00 178.15 177.23 1d1d h GLN 202 N 0.22 0.19 -0.00 2.37 5.75 -0.74 -1.66 115.11 121.24 1d1d h GLN 202 Ca 0.06 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1d1d h GLN 202 Cb 0.58 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1d1d h GLN 202 CO 0.03 0.35 0.00 1.96 -2.65 0.00 0.00 178.83 178.52 1d1d h GLN 203 N -0.00 0.00 -0.03 1.69 1.08 0.14 0.28 115.11 118.26 1d1d h GLN 203 Ca 0.04 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1d1d h GLN 203 Cb 0.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1d1d h GLN 203 CO -0.00 0.00 -0.04 -0.07 -0.95 0.00 0.00 178.83 177.77 1d1d h LEU 204 N 0.00 0.10 -0.39 1.46 3.38 -0.60 0.22 115.31 119.48 1d1d h LEU 204 Ca 0.00 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1d1d h LEU 204 Cb 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1d1d h LEU 204 CO -0.00 0.58 0.10 0.40 0.09 0.00 0.00 178.44 179.62 1d1d h ILE 205 N -0.39 1.22 -0.28 1.22 5.03 -0.45 0.51 117.51 124.37 1d1d h ILE 205 Ca 0.00 -0.75 -0.05 0.00 -0.12 0.00 0.00 64.86 63.94 1d1d h ILE 205 Cb 0.56 0.98 -0.02 0.00 -3.03 0.00 0.00 36.82 35.31 1d1d h ILE 205 CO 0.01 0.26 -0.04 0.03 -0.68 0.00 0.00 178.15 177.73 1d1d h ARG 206 N 0.48 0.43 -0.24 2.37 3.08 -0.49 -0.36 114.38 119.64 1d1d h ARG 206 Ca 0.12 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1d1d h ARG 206 Cb 0.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1d1d h ARG 206 CO -0.00 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 179.39 1d1d n ALA 207 N -2.48 2.48 -1.31 0.04 0.00 0.78 -4.93 120.51 115.09 1d1d n ALA 207 Ca 0.01 -0.67 -0.31 0.00 0.00 0.00 0.00 53.44 52.47 1d1d n ALA 207 Cb 0.25 -1.02 0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.69 2.30 0.59 0.00 0.00 0.17 -4.99 121.76 118.14 1d1d s ALA 208 Ca 0.33 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.44 1d1d s ALA 208 Cb 0.19 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1d1d s ALA 208 CO 0.27 -1.67 1.05 -1.25 0.00 0.00 0.00 175.76 174.15 1d1d s PRO 209 N -4.78 3.39 -0.12 0.00 0.04 -1.26 -4.94 135.00 127.32 1d1d s PRO 209 Ca 0.62 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.92 1d1d s PRO 209 Cb -0.18 -2.04 0.50 0.00 0.04 0.00 0.00 34.50 32.82 1d1d s PRO 209 CO 0.54 -0.75 1.30 0.43 0.04 0.00 0.00 177.00 178.55 1d1d n SER 210 N -2.00 3.74 0.00 6.66 7.64 -1.26 -3.69 113.62 124.72 1d1d n SER 210 Ca 0.08 -2.49 0.11 0.00 1.01 0.00 0.00 58.87 57.58 1d1d n SER 210 Cb 0.53 -0.57 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 1d1d n SER 210 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1d1d n THR 211 N 0.47 0.04 -4.15 0.44 -1.04 -1.26 -4.92 114.28 103.86 1d1d n THR 211 Ca 0.17 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 61.78 1d1d n THR 211 Cb 0.77 0.43 -0.14 0.00 -1.82 0.00 0.00 70.33 69.57 1d1d n THR 211 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1d1d s LEU 212 N -3.81 2.04 -0.36 -4.42 0.05 -1.24 -5.04 118.68 105.90 1d1d s LEU 212 Ca 0.01 -0.16 0.12 0.00 0.05 0.00 0.00 54.13 54.15 1d1d s LEU 212 Cb 0.15 -0.26 0.41 0.00 -2.05 0.00 0.00 46.19 44.43 1d1d s LEU 212 CO 0.87 0.03 1.42 0.35 -0.55 0.00 0.00 176.35 178.47 1d1d n THR 213 N 2.74 0.09 -4.44 5.48 -2.24 -1.26 -4.80 114.28 109.86 1d1d n THR 213 Ca -0.14 -1.39 -0.24 0.00 -2.27 0.00 0.00 64.05 60.01 1d1d n THR 213 Cb 0.58 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 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 -0.12 2.33 -0.66 4.28 -4.23 -1.26 -4.33 115.64 111.65 1d1d s THR 214 Ca 0.16 -2.28 -0.06 0.00 -1.18 0.00 0.00 61.69 58.33 1d1d s THR 214 Cb 0.42 -2.21 -0.13 0.00 1.34 0.00 0.00 72.50 71.92 1d1d s THR 214 CO -0.10 -0.36 2.65 -0.81 -0.54 0.00 0.00 174.62 175.46 1d1d n PRO 215 N -0.37 2.19 0.04 3.99 -0.04 -1.26 -2.76 135.00 136.81 1d1d n PRO 215 Ca -0.07 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1d1d n PRO 215 Cb 0.59 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 3.19 -0.91 0.15 0.55 0.00 -1.26 -4.91 105.19 102.01 1d1d n GLY 216 Ca 0.47 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 0.30 -0.15 1.61 5.08 -1.96 0.00 114.58 119.46 1d1d h GLU 217 Ca 0.00 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1d1d h GLU 217 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1d1d h GLU 217 CO 0.00 0.96 0.04 0.82 -1.00 0.00 0.00 179.01 179.83 1d1d h ILE 218 N 0.19 1.19 -0.20 3.13 1.08 -1.87 0.53 117.51 121.56 1d1d h ILE 218 Ca -0.04 -0.60 -0.05 0.00 -0.39 0.00 0.00 64.86 63.78 1d1d h ILE 218 Cb 1.40 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 1d1d h ILE 218 CO 0.13 0.18 -0.07 0.40 -0.69 0.00 0.00 178.15 178.10 1d1d h ILE 219 N 0.06 1.30 -0.96 -0.67 2.04 -1.80 0.72 117.51 118.20 1d1d h ILE 219 Ca 0.05 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1d1d h ILE 219 Cb 0.24 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1d1d h ILE 219 CO -0.00 0.33 0.63 0.50 0.00 0.00 0.00 178.15 179.61 1d1d h LYS 220 N 0.11 1.15 -0.15 2.37 3.11 -0.88 0.41 116.57 122.67 1d1d h LYS 220 Ca 0.05 -0.07 -0.04 0.00 -2.81 0.00 0.00 60.65 57.78 1d1d h LYS 220 Cb 0.54 -0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1d1d h LYS 220 CO 0.02 0.76 -0.07 -0.92 -2.81 0.00 0.00 179.45 176.43 1d1d h TYR 221 N 1.18 0.37 -0.33 1.91 3.20 0.28 -0.85 116.97 122.73 1d1d h TYR 221 Ca 0.39 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1d1d h TYR 221 Cb 0.05 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1d1d h TYR 221 CO -0.00 0.64 0.20 0.28 -1.64 0.00 0.00 178.16 177.64 1d1d h VAL 222 N -0.01 1.11 -0.66 1.81 2.07 -0.26 0.35 116.25 120.66 1d1d h VAL 222 Ca 0.03 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1d1d h VAL 222 Cb 0.54 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1d1d h VAL 222 CO 0.02 0.11 0.44 -0.07 0.02 0.00 0.00 177.57 178.09 1d1d h LEU 223 N 0.42 0.72 -0.17 2.57 3.38 -0.18 0.39 115.31 122.44 1d1d h LEU 223 Ca 0.12 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1d1d h LEU 223 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1d1d h LEU 223 CO -0.02 0.51 -0.13 -0.78 0.09 0.00 0.00 178.44 178.11 1d1d h ASP 224 N 0.85 0.42 -0.56 -0.43 3.58 -0.18 -2.67 116.42 117.42 1d1d h ASP 224 Ca 0.25 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1d1d h ASP 224 Cb -0.03 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 1d1d h ASP 224 CO -0.06 0.78 0.32 -0.09 -2.88 0.00 0.00 179.24 177.31 1d1d h ARG 225 N 0.06 0.78 -0.09 0.28 9.65 0.51 -2.92 114.38 122.64 1d1d h ARG 225 Ca 0.03 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1d1d h ARG 225 Cb 0.65 -0.16 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 1d1d h ARG 225 CO 0.03 0.58 -0.33 1.96 2.80 0.00 0.00 179.97 185.02 1d1d h GLN 226 N 0.76 -0.41 -7.37 0.20 4.20 -0.21 -3.41 115.11 108.87 1d1d h GLN 226 Ca 0.20 0.03 -0.50 0.00 0.06 0.00 0.00 58.65 58.44 1d1d h GLN 226 Cb 0.02 0.09 0.10 0.00 0.30 0.00 0.00 27.48 27.99 1d1d h GLN 226 CO -0.03 -0.28 0.36 0.15 -0.67 0.00 0.00 178.83 178.36 1d1d s LYS 227 N -5.99 2.63 -0.10 1.46 1.02 -1.01 -5.06 119.74 112.68 1d1d s LYS 227 Ca -0.15 0.83 0.03 0.00 0.02 0.00 0.00 55.97 56.70 1d1d s LYS 227 Cb 0.10 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1d1d s LYS 227 CO 0.66 -1.29 -0.22 0.42 -0.92 0.00 0.00 175.35 174.00 1d1d s ILE 228 N -3.09 1.95 -0.42 2.17 1.01 -1.26 -4.87 121.20 116.69 1d1d s ILE 228 Ca 0.59 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1d1d s ILE 228 Cb -0.14 -1.70 0.17 0.00 0.01 0.00 0.00 42.46 40.80 1d1d s ILE 228 CO 0.55 0.53 0.48 0.00 0.00 0.00 0.00 174.94 176.50 1d1d s ALA 229 N 0.49 -0.75 -2.00 9.38 0.00 -1.26 -5.20 121.76 122.41 1d1d s ALA 229 Ca -0.16 -0.95 0.24 0.00 0.00 0.00 0.00 51.96 51.09 1d1d s ALA 229 Cb -0.17 -2.22 1.43 0.00 0.00 0.00 0.00 23.12 22.16 1d1d s ALA 229 CO 0.06 -2.15 1.79 -0.35 0.00 0.00 0.00 175.76 175.11