#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dme s SER 2 N 0.00 -1.39 -0.40 1.61 0.01 -1.26 -5.11 113.70 107.16 2dme s SER 2 Ca 0.00 0.74 0.02 0.00 1.31 0.00 0.00 55.95 58.02 2dme s SER 2 Cb 0.00 2.12 0.12 0.00 0.21 0.00 0.00 66.02 68.47 2dme s SER 2 CO 0.00 -0.27 0.18 -0.55 0.41 0.00 0.00 173.24 173.01 2dme s SER 3 N 2.85 3.99 0.00 2.44 0.15 -1.26 -4.88 113.70 116.99 2dme s SER 3 Ca 0.19 -2.34 0.00 0.00 0.70 0.00 0.00 55.95 54.50 2dme s SER 3 Cb -0.14 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 2dme s SER 3 CO -0.22 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2dme n GLY 4 N 3.94 -2.01 3.55 9.45 0.00 -1.26 -5.14 105.19 113.73 2dme n GLY 4 Ca 0.05 0.69 -0.42 0.00 0.00 0.00 0.00 46.02 46.34 2dme n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dme n SER 5 N -1.85 0.58 -0.11 1.61 7.64 -1.26 -4.95 113.62 115.29 2dme n SER 5 Ca 0.00 1.03 -0.17 0.00 1.01 0.00 0.00 58.87 60.74 2dme n SER 5 Cb 0.00 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 61.88 2dme n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dme n SER 6 N 0.91 1.93 0.00 6.43 7.64 -1.26 -5.09 113.62 124.18 2dme n SER 6 Ca 0.10 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2dme n SER 6 Cb 0.37 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2dme n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dme n GLY 7 N 1.39 5.60 3.40 0.23 0.00 -1.26 -5.07 105.19 109.49 2dme n GLY 7 Ca -0.30 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.33 2dme n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dme s SER 8 N 1.00 7.03 0.06 1.61 0.15 -1.26 -4.82 113.70 117.46 2dme s SER 8 Ca 0.00 -2.98 -0.17 0.00 0.70 0.00 0.00 55.95 53.50 2dme s SER 8 Cb 0.00 -2.31 -0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2dme s SER 8 CO 0.00 -0.62 1.25 0.00 1.20 0.00 0.00 173.24 175.07 2dme h ALA 9 N 7.38 0.23 -1.33 5.45 0.00 -2.00 -3.21 119.26 125.77 2dme h ALA 9 Ca 0.21 -0.52 0.47 0.00 0.00 0.00 0.00 54.91 55.07 2dme h ALA 9 Cb 0.93 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 2dme h ALA 9 CO 1.06 0.44 0.84 0.38 0.00 0.00 0.00 179.25 181.97 2dme h ASP 10 N 0.20 0.21 0.14 0.00 2.03 -2.02 1.82 116.42 118.80 2dme h ASP 10 Ca -0.03 0.17 -0.21 0.00 -0.73 0.00 0.00 57.03 56.23 2dme h ASP 10 Cb 1.18 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 2dme h ASP 10 CO 0.11 -0.29 -0.81 1.56 -1.03 0.00 0.00 179.24 178.78 2dme h GLN 11 N 0.00 0.54 -0.71 4.15 1.08 -1.97 -3.12 115.11 115.07 2dme h GLN 11 Ca 0.88 -0.47 0.14 0.00 -1.45 0.00 0.00 58.65 57.75 2dme h GLN 11 Cb 2.77 0.11 -0.13 0.00 -0.05 0.00 0.00 27.48 30.18 2dme h GLN 11 CO -0.51 1.10 -0.20 0.82 -0.95 0.00 0.00 178.83 179.09 2dme h ILE 12 N 0.35 0.27 0.25 2.54 1.08 0.27 0.48 117.51 122.75 2dme h ILE 12 Ca -0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2dme h ILE 12 Cb 1.42 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 2dme h ILE 12 CO 0.15 0.00 -0.12 0.03 -0.69 0.00 0.00 178.15 177.52 2dme h ARG 13 N -0.02 -0.33 -0.85 2.37 3.08 -1.60 -2.94 114.38 114.09 2dme h ARG 13 Ca 0.33 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.61 2dme h ARG 13 Cb 0.53 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 30.50 2dme h ARG 13 CO -0.74 0.01 -0.01 0.37 -1.07 0.00 0.00 179.97 178.53 2dme h GLN 14 N -0.72 0.06 0.05 0.04 5.75 -1.29 0.81 115.11 119.82 2dme h GLN 14 Ca -0.03 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2dme h GLN 14 Cb 0.49 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2dme h GLN 14 CO 0.06 0.04 -0.11 1.03 -2.65 0.00 0.00 178.83 177.20 2dme h SER 15 N 0.06 -0.31 -0.72 -0.69 0.87 -0.93 -2.72 113.55 109.11 2dme h SER 15 Ca 0.48 0.04 0.14 0.00 -1.23 0.00 0.00 61.79 61.22 2dme h SER 15 Cb 0.88 0.12 -0.14 0.00 -0.44 0.00 0.00 62.40 62.83 2dme h SER 15 CO -0.78 -0.17 -0.18 0.58 -0.53 0.00 0.00 176.83 175.75 2dme h VAL 16 N -0.22 0.28 0.00 2.23 2.07 -0.67 -2.39 116.25 117.56 2dme h VAL 16 Ca 0.02 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2dme h VAL 16 Cb 0.24 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2dme h VAL 16 CO -0.08 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.05 2dme n ARG 17 N -5.48 0.00 -0.35 1.57 1.74 -0.93 -1.58 116.66 111.63 2dme n ARG 17 Ca 0.10 0.74 -0.07 0.00 -0.77 0.00 0.00 57.85 57.85 2dme n ARG 17 Cb 0.37 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 2dme n ARG 17 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2dme n HIS 18 N -2.44 -0.28 -0.09 -1.55 -0.00 -0.98 -1.06 115.22 108.82 2dme n HIS 18 Ca 0.00 1.07 -0.07 0.00 -0.00 0.00 0.00 57.72 58.72 2dme n HIS 18 Cb 0.00 -0.63 -0.05 0.00 -0.00 0.00 0.00 29.99 29.31 2dme n HIS 18 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.34 177.11 2dme h SER 19 N 0.00 -1.00 -0.71 0.26 0.02 -1.12 0.71 113.55 111.71 2dme h SER 19 Ca 0.18 0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.33 2dme h SER 19 Cb 0.39 0.42 -0.10 0.00 0.14 0.00 0.00 62.40 63.25 2dme h SER 19 CO -0.82 -0.20 -0.56 -0.07 -1.14 0.00 0.00 176.83 174.04 2dme h LEU 20 N -0.18 -1.98 -1.43 5.07 3.38 -0.07 0.59 115.31 120.70 2dme h LEU 20 Ca 0.04 0.29 0.24 0.00 0.09 0.00 0.00 57.88 58.54 2dme h LEU 20 Cb 0.30 0.85 -0.08 0.00 0.09 0.00 0.00 40.66 41.82 2dme h LEU 20 CO -0.34 -0.32 0.64 0.50 0.09 0.00 0.00 178.44 179.02 2dme h LYS 21 N -0.19 0.40 -0.49 1.13 3.64 -0.64 0.35 116.57 120.76 2dme h LYS 21 Ca 0.13 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2dme h LYS 21 Cb 0.51 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.18 2dme h LYS 21 CO -0.77 0.26 0.18 0.22 -2.27 0.00 0.00 179.45 177.07 2dme h ASP 22 N 0.41 0.18 0.26 4.20 3.58 0.26 0.36 116.42 125.66 2dme h ASP 22 Ca 0.54 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 58.03 2dme h ASP 22 Cb 1.34 0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2dme h ASP 22 CO -0.24 0.13 -0.13 0.40 -2.88 0.00 0.00 179.24 176.53 2dme h ILE 23 N 0.35 0.62 0.00 2.25 2.04 -0.62 -3.02 117.51 119.14 2dme h ILE 23 Ca 0.24 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2dme h ILE 23 Cb 0.25 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2dme h ILE 23 CO -0.24 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.23 2dme n LEU 24 N -5.03 0.00 0.10 1.44 4.77 -0.71 -0.75 117.00 116.83 2dme n LEU 24 Ca -0.08 0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 56.14 2dme n LEU 24 Cb 0.26 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2dme n LEU 24 CO 0.25 -0.44 -0.31 0.24 -1.33 0.00 0.00 177.39 175.79 2dme h MET 25 N 0.00 0.45 0.00 3.23 2.86 -0.15 -2.80 114.93 118.52 2dme h MET 25 Ca 0.00 -0.78 -0.00 0.00 -2.06 0.00 0.00 59.70 56.86 2dme h MET 25 Cb 0.03 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 2dme h MET 25 CO 0.00 1.37 -1.09 0.36 1.06 0.00 0.00 176.91 178.61 2dme n LYS 26 N -3.74 0.61 0.07 1.72 -0.00 -0.57 -3.18 118.16 113.06 2dme n LYS 26 Ca -0.20 0.10 -0.12 0.00 -0.00 0.00 0.00 58.31 58.09 2dme n LYS 26 Cb 1.05 -1.80 -0.13 0.00 -0.00 0.00 0.00 35.03 34.15 2dme n LYS 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dme h ARG 27 N 0.00 0.14 0.21 -1.58 2.47 -1.07 -2.93 114.38 111.63 2dme h ARG 27 Ca -0.00 -0.24 -0.32 0.00 -1.26 0.00 0.00 59.98 58.15 2dme h ARG 27 Cb 1.02 0.09 0.04 0.00 -1.65 0.00 0.00 29.97 29.46 2dme h ARG 27 CO 0.00 1.07 -1.40 1.37 0.56 0.00 0.00 179.97 181.57 2dme h LEU 28 N 0.04 0.86 -1.40 3.04 8.10 -1.63 -2.93 115.31 121.39 2dme h LEU 28 Ca -0.11 -0.89 -0.02 0.00 0.11 0.00 0.00 57.88 56.97 2dme h LEU 28 Cb 1.90 -0.28 -0.00 0.00 -0.44 0.00 0.00 40.66 41.84 2dme h LEU 28 CO 0.16 1.68 -0.11 0.00 -4.11 0.00 0.00 178.44 176.06 2dme h THR 29 N 0.19 0.31 0.18 0.15 1.03 -1.67 -2.96 112.91 110.14 2dme h THR 29 Ca -0.23 -0.77 -0.31 0.00 -0.01 0.00 0.00 66.41 65.09 2dme h THR 29 Cb 2.09 1.59 0.02 0.00 -1.07 0.00 0.00 68.15 70.77 2dme h THR 29 CO 0.26 0.11 -1.41 -0.78 -0.01 0.00 0.00 175.52 173.69 2dme h ASP 30 N 0.00 0.59 -4.07 0.00 1.82 -1.55 -3.47 116.42 109.75 2dme h ASP 30 Ca -0.00 -0.67 -0.34 0.00 -0.39 0.00 0.00 57.03 55.62 2dme h ASP 30 Cb 0.58 -0.19 0.11 0.00 0.68 0.00 0.00 39.33 40.51 2dme h ASP 30 CO 0.01 1.54 0.23 -1.20 -1.61 0.00 0.00 179.24 178.21 2dme n SER 31 N -3.59 0.47 -1.89 2.28 7.64 -1.11 -4.97 113.62 112.45 2dme n SER 31 Ca -0.14 -1.58 -0.17 0.00 1.01 0.00 0.00 58.87 57.99 2dme n SER 31 Cb 1.06 -0.67 0.13 0.00 -1.01 0.00 0.00 64.21 63.72 2dme n SER 31 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dme n ASN 32 N -3.36 3.58 -0.04 6.43 4.13 -1.26 -4.38 115.26 120.36 2dme n ASN 32 Ca 0.13 -3.16 -0.12 0.00 1.68 0.00 0.00 54.58 53.11 2dme n ASN 32 Cb 0.45 -0.75 0.02 0.00 -1.54 0.00 0.00 39.78 37.96 2dme n ASN 32 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2dme h LEU 33 N 1.02 0.80 -0.59 3.41 3.38 -1.94 -3.47 115.31 117.93 2dme h LEU 33 Ca 0.46 -0.41 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 2dme h LEU 33 Cb 2.33 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 42.69 2dme h LEU 33 CO 0.80 1.17 -0.74 1.17 0.09 0.00 0.00 178.44 180.93 2dme n LYS 34 N -4.00 -3.36 -3.33 1.13 4.81 -1.26 -4.92 118.16 107.23 2dme n LYS 34 Ca -0.03 0.40 -0.33 0.00 -0.87 0.00 0.00 58.31 57.48 2dme n LYS 34 Cb 0.60 -5.14 -0.06 0.00 0.02 0.00 0.00 35.03 30.45 2dme n LYS 34 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2dme s VAL 35 N -3.15 4.84 0.36 3.15 -7.23 -1.26 -5.06 120.40 112.05 2dme s VAL 35 Ca 0.64 0.69 -0.27 0.00 -1.81 0.00 0.00 61.98 61.23 2dme s VAL 35 Cb -0.35 -3.65 -0.09 0.00 0.56 0.00 0.00 36.38 32.85 2dme s VAL 35 CO 0.79 -0.02 1.20 -2.16 -0.31 0.00 0.00 175.10 174.60 2dme s PRO 36 N -2.65 4.23 0.44 4.82 0.04 -1.26 -4.89 135.00 135.73 2dme s PRO 36 Ca 0.47 1.96 0.31 0.00 0.04 0.00 0.00 61.00 63.78 2dme s PRO 36 Cb -0.12 -2.88 1.46 0.00 0.04 0.00 0.00 34.50 33.00 2dme s PRO 36 CO 0.20 -0.21 1.60 1.49 0.04 0.00 0.00 177.00 180.12 2dme h GLU 37 N 3.04 0.05 -0.11 4.56 4.81 -2.01 0.11 114.58 125.04 2dme h GLU 37 Ca -0.48 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2dme h GLU 37 Cb 1.23 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 2dme h GLU 37 CO 0.64 0.03 -0.48 1.49 -0.73 0.00 0.00 179.01 179.96 2dme h GLU 38 N 0.05 -0.53 -0.30 1.92 4.57 -2.00 -2.72 114.58 115.57 2dme h GLU 38 Ca 0.85 0.04 0.03 0.00 -1.18 0.00 0.00 59.36 59.09 2dme h GLU 38 Cb 2.70 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 31.37 2dme h GLU 38 CO -0.44 -0.36 -0.18 1.17 -1.18 0.00 0.00 179.01 178.02 2dme n LYS 39 N -5.44 -0.13 -0.40 1.92 3.00 0.39 0.15 118.16 117.65 2dme n LYS 39 Ca -0.05 1.08 -0.06 0.00 -0.00 0.00 0.00 58.31 59.27 2dme n LYS 39 Cb 0.38 -1.60 -0.03 0.00 0.00 0.00 0.00 35.03 33.77 2dme n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dme n ALA 40 N -3.05 -0.39 0.26 3.14 0.00 -1.08 -1.38 120.51 118.02 2dme n ALA 40 Ca 0.01 0.92 -0.12 0.00 0.00 0.00 0.00 53.44 54.25 2dme n ALA 40 Cb 0.08 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 2dme n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dme h ALA 41 N 0.92 -1.12 -0.69 0.00 0.00 -0.69 -2.49 119.26 115.18 2dme h ALA 41 Ca 0.25 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2dme h ALA 41 Cb 0.50 0.40 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 2dme h ALA 41 CO -0.96 -1.10 -0.24 1.63 0.00 0.00 0.00 179.25 178.58 2dme n LYS 42 N -4.16 -0.13 0.30 0.00 5.02 0.12 0.19 118.16 119.50 2dme n LYS 42 Ca -0.09 1.07 -0.18 0.00 -2.02 0.00 0.00 58.31 57.09 2dme n LYS 42 Cb 0.30 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 33.63 2dme n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dme h VAL 43 N 0.00 0.07 -1.00 -0.18 2.07 -1.08 -2.14 116.25 113.98 2dme h VAL 43 Ca 0.27 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.02 2dme h VAL 43 Cb 0.44 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2dme h VAL 43 CO -0.69 0.00 0.63 0.00 0.02 0.00 0.00 177.57 177.53 2dme h ALA 44 N -0.77 1.98 -0.71 1.67 0.00 0.21 0.27 119.26 121.90 2dme h ALA 44 Ca -0.06 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dme h ALA 44 Cb 0.84 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2dme h ALA 44 CO -0.04 -0.37 0.47 1.15 0.00 0.00 0.00 179.25 180.46 2dme h THR 45 N 0.54 1.13 0.16 0.00 2.02 -0.20 -2.45 112.91 114.12 2dme h THR 45 Ca 0.58 -0.31 -0.29 0.00 0.77 0.00 0.00 66.41 67.16 2dme h THR 45 Cb 1.22 0.15 0.02 0.00 -1.74 0.00 0.00 68.15 67.80 2dme h THR 45 CO -0.33 0.16 -1.30 0.11 0.37 0.00 0.00 175.52 174.53 2dme h LYS 46 N 0.90 0.42 -0.89 6.66 1.57 -0.16 -3.13 116.57 121.93 2dme h LYS 46 Ca 0.28 -0.66 0.11 0.00 -1.87 0.00 0.00 60.65 58.50 2dme h LYS 46 Cb -0.00 0.24 -0.13 0.00 0.08 0.00 0.00 32.23 32.42 2dme h LYS 46 CO -0.07 1.30 -0.50 0.82 -0.57 0.00 0.00 179.45 180.44 2dme h ILE 47 N 0.14 0.02 0.00 1.86 1.08 -0.64 0.58 117.51 120.55 2dme h ILE 47 Ca -0.18 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.20 2dme h ILE 47 Cb 2.00 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.75 2dme h ILE 47 CO 0.23 0.00 -0.43 -0.33 -0.69 0.00 0.00 178.15 176.93 2dme h GLU 48 N -0.06 0.00 -0.93 2.37 4.39 -1.68 -1.46 114.58 117.20 2dme h GLU 48 Ca 0.22 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.97 2dme h GLU 48 Cb 0.51 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.10 2dme h GLU 48 CO -0.89 0.43 0.60 -0.22 -1.16 0.00 0.00 179.01 177.77 2dme h LYS 49 N 0.00 1.09 0.10 2.33 1.63 0.15 0.02 116.57 121.90 2dme h LYS 49 Ca -0.00 -0.07 -0.35 0.00 -0.85 0.00 0.00 60.65 59.38 2dme h LYS 49 Cb 0.96 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 2dme h LYS 49 CO 0.06 0.72 -1.90 1.49 -3.45 0.00 0.00 179.45 176.37 2dme h GLU 50 N 1.13 0.22 -0.25 1.90 4.57 -1.04 -3.24 114.58 117.86 2dme h GLU 50 Ca 0.39 -0.37 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2dme h GLU 50 Cb 0.08 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 2dme h GLU 50 CO -0.15 1.06 0.05 1.25 -1.18 0.00 0.00 179.01 180.04 2dme h LEU 51 N 0.06 0.00 -1.35 1.64 5.85 -1.10 0.59 115.31 121.01 2dme h LEU 51 Ca -0.38 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2dme h LEU 51 Cb 2.03 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 2dme h LEU 51 CO 0.10 0.04 -0.22 0.15 -0.34 0.00 0.00 178.44 178.16 2dme h PHE 52 N 0.14 0.00 0.00 1.25 3.57 -1.17 -1.91 116.94 118.82 2dme h PHE 52 Ca 0.12 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2dme h PHE 52 Cb 0.12 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 2dme h PHE 52 CO -0.16 0.22 -0.68 1.03 -2.23 0.00 0.00 178.31 176.49 2dme h SER 53 N 0.00 0.00 0.01 0.41 0.87 -1.27 -0.04 113.55 113.52 2dme h SER 53 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2dme h SER 53 Cb 0.64 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 2dme h SER 53 CO 0.03 0.20 -0.34 0.15 -0.53 0.00 0.00 176.83 176.33 2dme h PHE 54 N 0.00 0.02 0.00 2.24 3.57 0.55 -3.37 116.94 119.95 2dme h PHE 54 Ca -0.03 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.20 2dme h PHE 54 Cb 1.18 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 2dme h PHE 54 CO 0.00 1.13 -1.38 0.74 -2.23 0.00 0.00 178.31 176.57 2dme h PHE 55 N -0.97 0.00 -2.54 0.41 0.04 -1.51 -3.48 116.94 108.90 2dme h PHE 55 Ca -0.09 -0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.34 2dme h PHE 55 Cb 1.10 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.24 2dme h PHE 55 CO 0.23 1.00 -0.44 -2.13 -0.60 0.00 0.00 178.31 176.38 2dme n ARG 56 N -3.19 -1.62 -3.60 1.51 0.63 -0.03 -4.95 116.66 105.41 2dme n ARG 56 Ca -0.09 0.81 -0.04 0.00 -0.92 0.00 0.00 57.85 57.61 2dme n ARG 56 Cb 1.00 -5.25 -0.02 0.00 0.45 0.00 0.00 32.46 28.64 2dme n ARG 56 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 2dme s ASP 57 N -2.29 -0.19 -0.60 6.15 1.47 -1.25 -5.05 116.67 114.90 2dme s ASP 57 Ca 0.03 -0.10 0.02 0.00 1.18 0.00 0.00 52.55 53.68 2dme s ASP 57 Cb -0.01 0.28 0.39 0.00 -0.34 0.00 0.00 42.92 43.24 2dme s ASP 57 CO 0.03 -0.48 1.45 0.35 0.68 0.00 0.00 175.17 177.20 2dme n THR 58 N -0.29 2.90 -2.71 2.11 -2.24 -1.26 -4.65 114.28 108.14 2dme n THR 58 Ca -0.05 -4.74 -0.13 0.00 -2.27 0.00 0.00 64.05 56.86 2dme n THR 58 Cb 0.61 -1.27 0.06 0.00 -2.10 0.00 0.00 70.33 67.63 2dme n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2dme n ASP 59 N -0.49 1.00 -0.18 3.42 2.03 -1.26 -4.87 116.55 116.20 2dme n ASP 59 Ca 0.44 -1.78 0.17 0.00 0.52 0.00 0.00 54.79 54.15 2dme n ASP 59 Cb 0.49 -0.32 0.52 0.00 -0.72 0.00 0.00 41.12 41.09 2dme n ASP 59 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dme h ALA 60 N -0.17 2.18 0.00 -1.67 0.00 -1.99 0.42 119.26 118.02 2dme h ALA 60 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dme h ALA 60 Cb 0.73 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2dme h ALA 60 CO 0.22 -0.40 -0.06 1.57 0.00 0.00 0.00 179.25 180.57 2dme h LYS 61 N 0.38 0.00 0.00 0.00 2.10 -1.95 0.18 116.57 117.28 2dme h LYS 61 Ca 0.39 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.99 2dme h LYS 61 Cb 0.97 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 2dme h LYS 61 CO -0.12 0.06 -0.28 -0.92 -2.00 0.00 0.00 179.45 176.19 2dme h TYR 62 N 0.00 0.00 0.07 0.07 3.20 -0.45 -3.33 116.97 116.54 2dme h TYR 62 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2dme h TYR 62 Cb 0.44 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 2dme h TYR 62 CO 0.00 1.05 -0.03 0.87 -1.64 0.00 0.00 178.16 178.41 2dme h LYS 63 N -1.00 -0.09 -0.93 1.82 1.57 -1.39 -2.96 116.57 113.59 2dme h LYS 63 Ca -0.08 0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.07 2dme h LYS 63 Cb 1.02 0.02 -0.17 0.00 0.08 0.00 0.00 32.23 33.18 2dme h LYS 63 CO -0.05 0.42 0.38 -1.71 -0.57 0.00 0.00 179.45 177.92 2dme n ASN 64 N -4.87 0.21 -0.04 0.86 2.85 0.64 0.13 115.26 115.05 2dme n ASN 64 Ca -0.08 1.55 -0.15 0.00 -0.11 0.00 0.00 54.58 55.79 2dme n ASN 64 Cb 0.28 -0.71 -0.08 0.00 1.24 0.00 0.00 39.78 40.51 2dme n ASN 64 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2dme h LYS 65 N 0.00 0.53 -0.15 1.20 1.63 -1.66 -2.34 116.57 115.78 2dme h LYS 65 Ca 0.73 -0.40 0.05 0.00 -0.85 0.00 0.00 60.65 60.18 2dme h LYS 65 Cb 1.85 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.50 2dme h LYS 65 CO -0.76 1.03 -0.20 -0.92 -3.45 0.00 0.00 179.45 175.15 2dme h TYR 66 N 0.15 -0.52 -0.37 1.91 3.20 0.13 0.16 116.97 121.63 2dme h TYR 66 Ca -0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 2dme h TYR 66 Cb 1.08 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.59 2dme h TYR 66 CO 0.11 -0.28 -0.03 0.07 -1.64 0.00 0.00 178.16 176.39 2dme h ARG 67 N -0.24 0.59 -0.45 1.82 0.11 -1.23 0.15 114.38 115.13 2dme h ARG 67 Ca 0.11 -0.15 -0.08 0.00 0.10 0.00 0.00 59.98 59.96 2dme h ARG 67 Cb 0.40 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 2dme h ARG 67 CO -0.29 0.64 -0.05 1.03 0.10 0.00 0.00 179.97 181.40 2dme h SER 68 N 0.56 0.74 0.30 0.08 0.87 -0.71 0.46 113.55 115.85 2dme h SER 68 Ca 0.11 -0.20 -0.33 0.00 -1.23 0.00 0.00 61.79 60.14 2dme h SER 68 Cb 0.41 -0.20 0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2dme h SER 68 CO 0.02 0.84 -1.50 -0.07 -0.53 0.00 0.00 176.83 175.59 2dme h LEU 69 N 0.71 0.77 -0.09 2.23 3.38 -0.34 -3.26 115.31 118.70 2dme h LEU 69 Ca 0.13 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.24 2dme h LEU 69 Cb 0.51 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2dme h LEU 69 CO 0.03 1.68 0.00 1.15 0.09 0.00 0.00 178.44 181.39 2dme n MET 70 N -3.68 0.19 -0.03 1.13 0.00 0.49 -3.47 117.12 111.75 2dme n MET 70 Ca -0.17 0.20 -0.16 0.00 0.00 0.00 0.00 57.70 57.57 2dme n MET 70 Cb 1.09 -1.74 -0.09 0.00 0.00 0.00 0.00 33.22 32.49 2dme n MET 70 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 2dme h PHE 71 N 0.00 0.65 0.00 3.17 3.04 -0.13 -3.10 116.94 120.58 2dme h PHE 71 Ca 0.00 -0.28 -0.00 0.00 3.98 0.00 0.00 57.97 61.66 2dme h PHE 71 Cb 0.62 -0.10 -0.00 0.00 2.56 0.00 0.00 35.95 39.03 2dme h PHE 71 CO 0.00 1.05 -0.02 -0.91 -2.02 0.00 0.00 178.31 176.41 2dme h ASN 72 N 0.06 0.00 -0.10 0.41 2.35 -1.62 -2.17 115.58 114.51 2dme h ASN 72 Ca -0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 2dme h ASN 72 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 2dme h ASN 72 CO 0.10 0.02 -0.15 -0.07 -1.65 0.00 0.00 177.43 175.67 2dme h LEU 73 N 0.00 0.31 -0.63 1.61 3.38 -1.60 -3.21 115.31 115.17 2dme h LEU 73 Ca -0.00 -0.53 -0.14 0.00 0.09 0.00 0.00 57.88 57.30 2dme h LEU 73 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2dme h LEU 73 CO 0.00 0.77 -0.66 0.07 0.09 0.00 0.00 178.44 178.71 2dme h LYS 74 N -0.15 0.00 -6.27 1.13 2.10 -1.47 -3.45 116.57 108.46 2dme h LYS 74 Ca 0.01 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.98 2dme h LYS 74 Cb 0.71 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.09 2dme h LYS 74 CO 0.03 0.66 0.46 -0.25 -2.00 0.00 0.00 179.45 178.36 2dme n ASP 75 N -3.70 1.65 0.16 7.07 9.92 -0.83 -4.86 116.55 125.97 2dme n ASP 75 Ca -0.01 1.12 0.01 0.00 -0.53 0.00 0.00 54.79 55.38 2dme n ASP 75 Cb 0.67 -1.19 0.27 0.00 -0.64 0.00 0.00 41.12 40.23 2dme n ASP 75 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2dme h PRO 76 N 4.57 0.00 0.00 -0.24 0.13 -1.88 -2.61 132.00 131.98 2dme h PRO 76 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dme h PRO 76 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2dme h PRO 76 CO 0.78 0.48 0.00 0.36 -0.23 0.00 0.00 178.00 179.39 2dme n LYS 77 N -3.95 0.01 -3.85 0.86 -0.00 -1.26 -4.30 118.16 105.68 2dme n LYS 77 Ca -0.02 0.14 -0.30 0.00 -0.00 0.00 0.00 58.31 58.14 2dme n LYS 77 Cb 0.50 -1.52 -0.14 0.00 -0.00 0.00 0.00 35.03 33.87 2dme n LYS 77 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2dme s ASN 78 N -3.09 4.11 0.00 -5.58 3.84 -0.98 -4.89 114.94 108.35 2dme s ASN 78 Ca 0.10 -2.60 0.11 0.00 0.21 0.00 0.00 52.86 50.68 2dme s ASN 78 Cb 0.14 -1.33 0.14 0.00 -0.55 0.00 0.00 41.25 39.64 2dme s ASN 78 CO 0.40 -0.29 0.94 -0.46 -2.79 0.00 0.00 177.10 174.90 2dme n ASN 79 N 3.63 2.15 -0.06 -4.21 6.94 -1.26 -4.51 115.26 117.93 2dme n ASN 79 Ca 0.05 -1.59 -0.13 0.00 -0.02 0.00 0.00 54.58 52.89 2dme n ASN 79 Cb 0.35 -0.06 -0.14 0.00 -2.36 0.00 0.00 39.78 37.58 2dme n ASN 79 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2dme n ILE 80 N 0.57 1.55 0.40 1.53 5.41 -1.26 -4.17 119.36 123.39 2dme n ILE 80 Ca 0.08 -0.74 -0.19 0.00 1.00 0.00 0.00 62.75 62.89 2dme n ILE 80 Cb 0.31 -1.07 -0.10 0.00 -0.71 0.00 0.00 39.64 38.07 2dme n ILE 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dme h LEU 81 N 0.01 -1.23 -1.53 1.39 5.85 -1.87 0.15 115.31 118.08 2dme h LEU 81 Ca -0.45 0.07 0.28 0.00 0.84 0.00 0.00 57.88 58.62 2dme h LEU 81 Cb 2.07 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 43.39 2dme h LEU 81 CO 0.03 -0.73 0.70 2.19 -0.34 0.00 0.00 178.44 180.29 2dme h PHE 82 N -1.15 0.49 0.04 1.25 -5.15 -1.82 -2.07 116.94 108.53 2dme h PHE 82 Ca -0.10 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.69 2dme h PHE 82 Cb 0.93 -0.14 0.00 0.00 0.22 0.00 0.00 35.95 36.96 2dme h PHE 82 CO -0.13 0.05 -0.02 0.87 -2.00 0.00 0.00 178.31 177.08 2dme h LYS 83 N 0.29 -0.06 -0.71 6.09 1.57 -1.57 -2.89 116.57 119.29 2dme h LYS 83 Ca 0.57 0.00 0.30 0.00 -1.87 0.00 0.00 60.65 59.66 2dme h LYS 83 Cb 1.65 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.84 2dme h LYS 83 CO -0.22 -0.04 0.38 1.63 -0.57 0.00 0.00 179.45 180.63 2dme n LYS 84 N -2.42 -0.04 0.11 3.15 5.02 0.46 0.14 118.16 124.58 2dme n LYS 84 Ca -0.01 0.98 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 2dme n LYS 84 Cb 0.02 -1.77 -0.08 0.00 -0.02 0.00 0.00 35.03 33.18 2dme n LYS 84 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dme h VAL 85 N 0.00 0.86 0.23 -0.18 2.07 -1.46 0.30 116.25 118.07 2dme h VAL 85 Ca 0.60 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2dme h VAL 85 Cb 1.60 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 2dme h VAL 85 CO -0.55 0.13 -0.11 -0.07 0.02 0.00 0.00 177.57 176.99 2dme h LEU 86 N -0.62 -0.27 -1.42 2.57 4.07 0.15 -2.67 115.31 117.13 2dme h LEU 86 Ca -0.03 -0.03 0.06 0.00 0.08 0.00 0.00 57.88 57.97 2dme h LEU 86 Cb 0.44 0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 2dme h LEU 86 CO 0.05 -0.15 0.46 0.50 -1.08 0.00 0.00 178.44 178.22 2dme h LYS 87 N -0.37 0.68 0.00 1.13 1.63 -0.80 -3.46 116.57 115.38 2dme h LYS 87 Ca -0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2dme h LYS 87 Cb 0.28 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 2dme h LYS 87 CO 0.05 0.45 0.00 0.41 -3.45 0.00 0.00 179.45 176.91 2dme n GLY 88 N -1.46 0.84 0.25 5.01 0.00 -0.13 -4.90 105.19 104.80 2dme n GLY 88 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.29 2dme n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dme n GLU 89 N 0.00 -0.05 -4.00 1.61 -0.58 0.85 -3.46 120.64 115.00 2dme n GLU 89 Ca 0.00 1.08 -0.34 0.00 -0.42 0.00 0.00 57.16 57.48 2dme n GLU 89 Cb 0.00 -1.81 -0.15 0.00 -0.57 0.00 0.00 31.44 28.91 2dme n GLU 89 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2dme s VAL 90 N -5.41 2.58 0.56 2.62 1.01 0.08 -4.95 120.40 116.88 2dme s VAL 90 Ca -0.08 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 2dme s VAL 90 Cb 0.24 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 2dme s VAL 90 CO 0.58 0.05 1.16 0.42 0.00 0.00 0.00 175.10 177.32 2dme s THR 91 N 1.22 2.97 -0.55 3.92 -4.23 -1.23 -4.09 115.64 113.65 2dme s THR 91 Ca -0.04 0.60 0.22 0.00 -1.18 0.00 0.00 61.69 61.29 2dme s THR 91 Cb -0.18 -3.24 0.23 0.00 1.34 0.00 0.00 72.50 70.64 2dme s THR 91 CO -0.04 -0.13 1.67 -0.81 -0.54 0.00 0.00 174.62 174.77 2dme n PRO 92 N -1.39 0.17 0.00 3.99 -0.04 -1.26 -1.28 135.00 135.19 2dme n PRO 92 Ca 0.12 0.40 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 2dme n PRO 92 Cb 0.50 -1.82 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 2dme n PRO 92 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dme n ASP 93 N -2.13 2.14 -0.05 3.54 5.75 -1.26 -4.34 116.55 120.19 2dme n ASP 93 Ca 0.02 -1.57 -0.06 0.00 -0.01 0.00 0.00 54.79 53.18 2dme n ASP 93 Cb 0.22 0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 40.64 2dme n ASP 93 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2dme n HIS 94 N 0.18 0.00 0.09 2.11 -0.00 -0.84 -4.51 115.22 112.25 2dme n HIS 94 Ca 0.10 0.00 0.20 0.00 0.46 0.00 0.00 57.72 58.48 2dme n HIS 94 Cb 0.47 -0.48 0.71 0.00 -0.12 0.00 0.00 29.99 30.57 2dme n HIS 94 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2dme h LEU 95 N 0.00 0.00 0.19 0.27 5.85 -1.38 0.13 115.31 120.37 2dme h LEU 95 Ca -0.27 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.20 2dme h LEU 95 Cb 1.57 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.63 2dme h LEU 95 CO 0.00 0.00 -1.12 0.40 -0.34 0.00 0.00 178.44 177.39 2dme h ILE 96 N 0.00 1.40 0.00 4.05 2.04 -1.80 -3.26 117.51 119.94 2dme h ILE 96 Ca 0.20 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2dme h ILE 96 Cb 1.25 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.45 2dme h ILE 96 CO -0.00 0.76 0.00 0.03 0.00 0.00 0.00 178.15 178.94 2dme h ARG 97 N -0.15 0.00 -6.61 2.37 3.08 -1.01 -3.43 114.38 108.63 2dme h ARG 97 Ca -0.20 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.33 2dme h ARG 97 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.92 2dme h ARG 97 CO 0.20 0.00 0.47 -1.64 -1.07 0.00 0.00 179.97 177.94 2dme s MET 98 N -3.79 4.57 0.82 0.04 -1.94 -0.68 -5.01 119.30 113.31 2dme s MET 98 Ca -0.01 1.69 -0.13 0.00 -1.71 0.00 0.00 55.69 55.53 2dme s MET 98 Cb 0.10 -3.31 0.09 0.00 2.01 0.00 0.00 34.83 33.73 2dme s MET 98 CO 0.46 0.03 1.20 -1.12 -0.01 0.00 0.00 175.02 175.58 2dme s SER 99 N 0.15 3.48 0.51 3.03 0.01 -1.26 -4.90 113.70 114.71 2dme s SER 99 Ca 0.51 2.36 0.32 0.00 1.31 0.00 0.00 55.95 60.45 2dme s SER 99 Cb -0.28 -2.59 1.34 0.00 0.21 0.00 0.00 66.02 64.70 2dme s SER 99 CO 0.33 -2.74 1.95 1.55 0.41 0.00 0.00 173.24 174.74 2dme h PRO 100 N -1.02 0.00 0.00 12.44 0.13 -1.95 -2.50 132.00 139.10 2dme h PRO 100 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dme h PRO 100 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2dme h PRO 100 CO 0.45 0.00 -0.74 1.49 -0.23 0.00 0.00 178.00 178.97 2dme h GLU 101 N 0.00 0.00 0.00 0.86 4.81 -2.02 -3.31 114.58 114.93 2dme h GLU 101 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dme h GLU 101 Cb 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2dme h GLU 101 CO 0.00 0.00 -0.66 0.93 -0.73 0.00 0.00 179.01 178.55 2dme h GLU 102 N 0.00 0.00 0.00 1.92 4.39 -1.81 -3.22 114.58 115.87 2dme h GLU 102 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2dme h GLU 102 Cb 0.81 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2dme h GLU 102 CO 0.00 0.00 -0.24 -0.07 -1.16 0.00 0.00 179.01 177.54 2dme h LEU 103 N 0.00 0.00 0.06 1.33 3.38 -1.62 -3.16 115.31 115.30 2dme h LEU 103 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2dme h LEU 103 Cb 0.85 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2dme h LEU 103 CO 0.00 0.24 -1.89 0.00 0.09 0.00 0.00 178.44 176.88 2dme n ALA 104 N -2.46 0.95 -1.11 1.53 0.00 -1.25 -4.80 120.51 113.37 2dme n ALA 104 Ca -0.02 -0.67 -0.28 0.00 0.00 0.00 0.00 53.44 52.47 2dme n ALA 104 Cb 0.30 -0.50 -0.12 0.00 0.00 0.00 0.00 19.45 19.13 2dme n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dme n SER 105 N -3.81 0.02 -3.88 0.00 2.88 -1.20 -4.73 113.62 102.90 2dme n SER 105 Ca -0.36 0.05 -0.42 0.00 -1.33 0.00 0.00 58.87 56.81 2dme n SER 105 Cb 0.92 -0.64 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2dme n SER 105 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2dme n LYS 106 N 5.95 3.05 -4.32 -1.46 4.81 -1.26 -4.90 118.16 120.03 2dme n LYS 106 Ca 0.49 -2.89 -0.29 0.00 -0.87 0.00 0.00 58.31 54.75 2dme n LYS 106 Cb 0.03 -3.24 -0.17 0.00 0.02 0.00 0.00 35.03 31.68 2dme n LYS 106 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2dme s GLU 107 N 2.77 2.21 0.01 1.64 0.41 -1.26 -5.04 118.70 119.43 2dme s GLU 107 Ca 0.46 -0.55 -0.25 0.00 -0.41 0.00 0.00 54.97 54.22 2dme s GLU 107 Cb 0.11 -1.93 -0.14 0.00 -1.78 0.00 0.00 34.13 30.39 2dme s GLU 107 CO -0.05 -0.12 1.06 1.25 -0.49 0.00 0.00 175.26 176.91 2dme h LEU 108 N 7.62 -0.78 -1.15 1.80 5.85 -1.97 -2.94 115.31 123.74 2dme h LEU 108 Ca -0.33 0.03 0.33 0.00 0.84 0.00 0.00 57.88 58.75 2dme h LEU 108 Cb 1.16 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 2dme h LEU 108 CO 0.50 -0.39 1.22 0.00 -0.34 0.00 0.00 178.44 179.43 2dme n ALA 109 N -2.71 1.10 -0.29 1.25 0.00 -1.26 -0.75 120.51 117.86 2dme n ALA 109 Ca -0.11 0.38 0.01 0.00 0.00 0.00 0.00 53.44 53.72 2dme n ALA 109 Cb 0.36 -0.66 0.08 0.00 0.00 0.00 0.00 19.45 19.23 2dme n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dme h ALA 110 N 0.57 0.39 -2.60 0.00 0.00 -1.93 -3.39 119.26 112.30 2dme h ALA 110 Ca 0.55 0.29 -0.48 0.00 0.00 0.00 0.00 54.91 55.26 2dme h ALA 110 Cb 2.98 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 21.49 2dme h ALA 110 CO -0.01 -0.48 0.39 -1.58 0.00 0.00 0.00 179.25 177.57 2dme s TRP 111 N -6.16 3.64 -0.06 0.00 0.23 0.07 -5.00 118.94 111.67 2dme s TRP 111 Ca -0.14 1.77 -0.07 0.00 -2.03 0.00 0.00 56.10 55.63 2dme s TRP 111 Cb 0.22 -3.05 -0.04 0.00 0.03 0.00 0.00 33.47 30.63 2dme s TRP 111 CO 0.74 -0.06 0.29 0.00 0.96 0.00 0.00 176.95 178.88 2dme h ARG 112 N 3.37 -0.23 -6.31 4.98 3.08 -1.88 -3.47 114.38 113.93 2dme h ARG 112 Ca -0.47 0.02 -0.62 0.00 0.07 0.00 0.00 59.98 58.98 2dme h ARG 112 Cb 1.20 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 31.20 2dme h ARG 112 CO 0.65 -0.15 -0.64 -0.98 -1.07 0.00 0.00 179.97 177.78 2dme s ARG 113 N -2.30 2.59 -0.85 0.04 1.70 -1.26 -5.08 118.95 113.79 2dme s ARG 113 Ca -0.03 -0.93 -0.02 0.00 -0.47 0.00 0.00 55.73 54.28 2dme s ARG 113 Cb 0.00 -2.51 0.21 0.00 -0.57 0.00 0.00 34.95 32.08 2dme s ARG 113 CO 0.10 0.50 0.73 0.50 -1.08 0.00 0.00 175.30 176.05 2dme s ARG 114 N -2.69 3.16 0.25 3.89 3.52 -1.26 -5.02 118.95 120.81 2dme s ARG 114 Ca 0.28 -3.17 -0.30 0.00 -0.13 0.00 0.00 55.73 52.41 2dme s ARG 114 Cb -0.11 -3.92 -0.09 0.00 -1.56 0.00 0.00 34.95 29.27 2dme s ARG 114 CO 0.20 -1.25 1.08 -1.54 -0.81 0.00 0.00 175.30 172.97 2dme s SER 115 N -0.02 7.32 0.00 -2.12 1.04 -1.26 -4.83 113.70 113.82 2dme s SER 115 Ca 0.26 2.19 0.00 0.00 0.48 0.00 0.00 55.95 58.87 2dme s SER 115 Cb -0.09 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.41 2dme s SER 115 CO -0.11 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2dme n GLY 116 N 1.44 -2.87 3.56 7.32 0.00 -1.26 -4.65 105.19 108.73 2dme n GLY 116 Ca -0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 44.50 2dme n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dme s PRO 117 N -4.75 2.54 -0.10 1.61 0.04 -1.26 -4.94 135.00 128.14 2dme s PRO 117 Ca 0.00 -0.48 0.02 0.00 0.04 0.00 0.00 61.00 60.57 2dme s PRO 117 Cb 0.00 -5.10 -0.02 0.00 0.04 0.00 0.00 34.50 29.42 2dme s PRO 117 CO 0.00 -3.51 -0.16 -1.54 0.04 0.00 0.00 177.00 171.83 2dme s SER 118 N 7.69 3.84 -0.63 6.66 1.04 -1.26 -4.63 113.70 126.40 2dme s SER 118 Ca 0.70 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.76 2dme s SER 118 Cb -0.05 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2dme s SER 118 CO 0.02 0.22 0.55 -0.24 0.98 0.00 0.00 173.24 174.77 2dme n SER 119 N 3.14 -3.67 -0.73 7.02 2.88 -1.26 -5.14 113.62 115.86 2dme n SER 119 Ca -0.18 -0.27 0.13 0.00 -1.33 0.00 0.00 58.87 57.22 2dme n SER 119 Cb 0.53 -2.68 0.31 0.00 -0.75 0.00 0.00 64.21 61.61 2dme n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42