#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 5.63 0.02 1.61 0.01 -1.26 -4.93 113.70 114.79 2dme s SER 2 Ca 0.00 -1.10 0.06 0.00 1.31 0.00 0.00 55.95 56.22 2dme s SER 2 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 2dme s SER 2 CO 0.00 -2.32 -0.19 -0.94 0.41 0.00 0.00 173.24 170.20 2dme s SER 3 N 6.75 2.23 -0.03 2.44 1.04 -1.26 -4.99 113.70 119.88 2dme s SER 3 Ca 0.62 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2dme s SER 3 Cb -0.03 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.89 2dme s SER 3 CO -0.02 0.17 0.04 0.61 0.98 0.00 0.00 173.24 175.03 2dme n GLY 4 N 2.18 -3.80 3.36 7.32 0.00 -1.26 -5.07 105.19 107.93 2dme n GLY 4 Ca -0.16 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2dme n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dme s SER 5 N -0.21 -0.31 0.56 1.61 1.04 -1.26 -5.02 113.70 110.10 2dme s SER 5 Ca -0.05 -0.27 -0.19 0.00 0.48 0.00 0.00 55.95 55.91 2dme s SER 5 Cb 0.00 0.51 -0.07 0.00 0.10 0.00 0.00 66.02 66.57 2dme s SER 5 CO 0.14 -0.90 0.84 -1.54 0.98 0.00 0.00 173.24 172.75 2dme n SER 6 N -0.27 0.30 0.00 7.02 3.41 -1.26 -4.33 113.62 118.48 2dme n SER 6 Ca -0.15 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 2dme n SER 6 Cb 0.64 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2dme n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dme n GLY 7 N 1.42 1.54 3.43 5.00 0.00 -1.26 -5.01 105.19 110.32 2dme n GLY 7 Ca 0.12 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.18 2dme n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dme s SER 8 N -4.00 6.26 0.23 1.61 0.01 -1.26 -4.92 113.70 111.62 2dme s SER 8 Ca 0.00 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 55.79 2dme s SER 8 Cb 0.00 -2.38 0.25 0.00 0.21 0.00 0.00 66.02 64.09 2dme s SER 8 CO 0.00 -1.29 1.56 0.00 0.41 0.00 0.00 173.24 173.92 2dme h ALA 9 N 9.33 0.18 -0.81 1.44 0.00 -1.95 0.49 119.26 127.94 2dme h ALA 9 Ca -0.21 0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.17 2dme h ALA 9 Cb 1.07 0.96 -0.13 0.00 0.00 0.00 0.00 17.79 19.68 2dme h ALA 9 CO 1.15 -0.61 0.12 -0.44 0.00 0.00 0.00 179.25 179.47 2dme h ASP 10 N -0.02 -0.17 -0.41 0.00 5.19 -1.99 0.12 116.42 119.15 2dme h ASP 10 Ca 0.35 0.19 0.06 0.00 -0.62 0.00 0.00 57.03 57.01 2dme h ASP 10 Cb 0.60 0.30 -0.05 0.00 0.18 0.00 0.00 39.33 40.36 2dme h ASP 10 CO -0.96 -0.16 0.10 -0.61 -3.12 0.00 0.00 179.24 174.50 2dme h GLN 11 N 0.16 0.23 0.45 3.56 4.15 -0.41 -0.83 115.11 122.43 2dme h GLN 11 Ca 0.47 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.87 2dme h GLN 11 Cb 0.89 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 2dme h GLN 11 CO -0.65 0.15 -0.45 0.82 -1.93 0.00 0.00 178.83 176.78 2dme h ILE 12 N 0.24 0.00 -0.59 2.39 2.04 -0.48 -1.65 117.51 119.46 2dme h ILE 12 Ca 0.19 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.18 2dme h ILE 12 Cb 0.22 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.20 2dme h ILE 12 CO -0.24 0.00 -0.02 0.03 0.00 0.00 0.00 178.15 177.92 2dme h ARG 13 N -0.90 0.09 -0.24 2.37 3.08 -1.25 -1.54 114.38 116.01 2dme h ARG 13 Ca -0.06 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.05 2dme h ARG 13 Cb 0.78 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.73 2dme h ARG 13 CO -0.05 0.06 -0.31 0.37 -1.07 0.00 0.00 179.97 178.98 2dme h GLN 14 N 0.10 -0.31 -0.52 0.04 -0.00 -0.87 -1.60 115.11 111.94 2dme h GLN 14 Ca 0.30 0.02 0.09 0.00 -0.00 0.00 0.00 58.65 59.07 2dme h GLN 14 Cb 0.48 0.07 -0.08 0.00 0.00 0.00 0.00 27.48 27.96 2dme h GLN 14 CO -0.52 -0.21 0.08 0.77 0.00 0.00 0.00 178.83 178.96 2dme h SER 15 N -0.32 -0.05 -0.59 -0.69 0.02 -0.33 -1.84 113.55 109.74 2dme h SER 15 Ca 0.13 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 2dme h SER 15 Cb 0.53 0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.10 2dme h SER 15 CO -0.42 -0.00 -0.19 0.58 -1.14 0.00 0.00 176.83 175.66 2dme h VAL 16 N 0.21 0.35 0.27 2.27 2.07 -0.59 0.94 116.25 121.77 2dme h VAL 16 Ca 0.27 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.78 2dme h VAL 16 Cb 0.38 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2dme h VAL 16 CO -0.37 0.00 -0.18 0.03 0.02 0.00 0.00 177.57 177.08 2dme h ARG 17 N -0.04 -0.40 -0.77 1.57 3.08 -0.94 -1.76 114.38 115.12 2dme h ARG 17 Ca 0.28 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.48 2dme h ARG 17 Cb 0.47 0.09 -0.13 0.00 0.08 0.00 0.00 29.97 30.48 2dme h ARG 17 CO -0.63 -0.27 -0.37 1.25 -1.07 0.00 0.00 179.97 178.89 2dme h HIS 18 N -0.42 -1.04 -0.29 3.04 2.76 -1.16 -0.61 115.15 117.45 2dme h HIS 18 Ca -0.04 0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2dme h HIS 18 Cb 0.34 0.57 -0.08 0.00 1.55 0.00 0.00 27.41 29.79 2dme h HIS 18 CO 0.01 -0.39 -0.47 0.77 -1.30 0.00 0.00 177.93 176.55 2dme h SER 19 N -0.10 -1.52 -0.65 3.26 0.02 -0.75 0.12 113.55 113.93 2dme h SER 19 Ca 0.28 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 61.57 2dme h SER 19 Cb 0.57 0.63 -0.11 0.00 0.14 0.00 0.00 62.40 63.63 2dme h SER 19 CO -0.81 -0.41 0.04 -0.07 -1.14 0.00 0.00 176.83 174.44 2dme h LEU 20 N -0.43 -0.21 -1.60 5.07 3.38 -0.22 0.32 115.31 121.62 2dme h LEU 20 Ca 0.09 0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2dme h LEU 20 Cb 0.62 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2dme h LEU 20 CO -0.51 -0.10 -0.02 0.50 0.09 0.00 0.00 178.44 178.40 2dme h LYS 21 N 0.15 0.23 0.45 1.13 3.64 -0.13 -2.44 116.57 119.61 2dme h LYS 21 Ca 0.35 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2dme h LYS 21 Cb 0.58 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 2dme h LYS 21 CO -0.53 0.27 -0.22 0.22 -2.27 0.00 0.00 179.45 176.92 2dme h ASP 22 N 0.23 -0.52 0.79 4.20 3.58 0.22 0.91 116.42 125.82 2dme h ASP 22 Ca 0.05 -0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.45 2dme h ASP 22 Cb 0.19 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 2dme h ASP 22 CO 0.01 -0.31 -0.47 0.40 -2.88 0.00 0.00 179.24 175.99 2dme h ILE 23 N -0.69 0.00 -0.50 2.25 2.04 -1.23 -2.16 117.51 117.21 2dme h ILE 23 Ca -0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.94 2dme h ILE 23 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2dme h ILE 23 CO 0.10 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.59 2dme h LEU 24 N -1.17 0.00 -1.03 1.44 3.38 -1.50 0.38 115.31 116.81 2dme h LEU 24 Ca -0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2dme h LEU 24 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2dme h LEU 24 CO 0.12 0.00 -0.35 0.24 0.09 0.00 0.00 178.44 178.53 2dme h MET 25 N 0.00 0.24 0.02 1.13 2.86 -0.20 -0.31 114.93 118.67 2dme h MET 25 Ca 0.24 -0.10 -0.32 0.00 -2.06 0.00 0.00 59.70 57.46 2dme h MET 25 Cb 1.05 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.65 2dme h MET 25 CO -0.00 0.57 -1.91 1.17 1.06 0.00 0.00 176.91 177.79 2dme n LYS 26 N -4.07 0.66 0.07 1.72 0.00 0.79 -3.06 118.16 114.27 2dme n LYS 26 Ca -0.01 0.23 -0.06 0.00 0.00 0.00 0.00 58.31 58.46 2dme n LYS 26 Cb 0.44 -1.72 0.10 0.00 0.00 0.00 0.00 35.03 33.85 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 0.01 0.30 0.23 1.64 2.47 -0.38 -2.64 114.38 116.02 2dme h ARG 27 Ca -0.37 -0.21 -0.33 0.00 -1.26 0.00 0.00 59.98 57.81 2dme h ARG 27 Cb 2.06 0.03 0.03 0.00 -1.65 0.00 0.00 29.97 30.44 2dme h ARG 27 CO 0.06 0.82 -1.49 1.37 0.56 0.00 0.00 179.97 181.29 2dme h LEU 28 N 0.22 0.77 -1.89 3.04 8.10 -1.21 -2.75 115.31 121.59 2dme h LEU 28 Ca -0.01 -0.86 -0.03 0.00 0.11 0.00 0.00 57.88 57.10 2dme h LEU 28 Cb 1.13 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.09 2dme h LEU 28 CO 0.10 1.68 -0.13 0.00 -4.11 0.00 0.00 178.44 175.98 2dme h THR 29 N 0.13 0.66 0.08 0.15 1.03 -1.56 -2.97 112.91 110.44 2dme h THR 29 Ca -0.25 -0.53 -0.18 0.00 -0.01 0.00 0.00 66.41 65.44 2dme h THR 29 Cb 2.14 1.33 0.00 0.00 -1.07 0.00 0.00 68.15 70.55 2dme h THR 29 CO 0.26 0.12 -0.90 -0.78 -0.01 0.00 0.00 175.52 174.21 2dme h ASP 30 N 0.00 0.26 -3.43 0.00 1.82 -1.52 -3.47 116.42 110.08 2dme h ASP 30 Ca -0.00 -0.87 -0.39 0.00 -0.39 0.00 0.00 57.03 55.38 2dme h ASP 30 Cb 0.32 -0.09 0.18 0.00 0.68 0.00 0.00 39.33 40.42 2dme h ASP 30 CO 0.02 1.40 0.20 -1.20 -1.61 0.00 0.00 179.24 178.04 2dme n SER 31 N -4.21 -1.39 -2.62 2.28 7.64 -1.04 -4.93 113.62 109.35 2dme n SER 31 Ca -0.19 -1.24 -0.32 0.00 1.01 0.00 0.00 58.87 58.12 2dme n SER 31 Cb 0.75 -0.97 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -4.49 7.01 -0.07 6.43 3.02 -1.26 -4.49 115.26 121.41 2dme n ASN 32 Ca 0.15 -3.50 -0.21 0.00 -0.03 0.00 0.00 54.58 50.99 2dme n ASN 32 Cb 0.56 -1.13 -0.12 0.00 -0.61 0.00 0.00 39.78 38.47 2dme n ASN 32 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dme h LEU 33 N 3.31 0.11 2.49 3.41 3.38 -1.92 -3.48 115.31 122.61 2dme h LEU 33 Ca 0.48 -0.66 -0.32 0.00 0.09 0.00 0.00 57.88 57.46 2dme h LEU 33 Cb 0.45 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2dme h LEU 33 CO 1.16 1.52 -0.39 1.17 0.09 0.00 0.00 178.44 181.98 2dme n LYS 34 N -4.24 -1.91 -2.85 1.13 4.81 -1.26 -4.94 118.16 108.90 2dme n LYS 34 Ca -0.29 0.79 -0.34 0.00 -0.87 0.00 0.00 58.31 57.61 2dme n LYS 34 Cb 0.75 -5.37 -0.07 0.00 0.02 0.00 0.00 35.03 30.36 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 -2.72 4.39 0.36 3.15 -7.23 -1.26 -5.03 120.40 112.06 2dme s VAL 35 Ca 0.00 1.49 -0.27 0.00 -1.81 0.00 0.00 61.98 61.39 2dme s VAL 35 Cb 0.00 -3.67 -0.09 0.00 0.56 0.00 0.00 36.38 33.18 2dme s VAL 35 CO 0.00 -0.23 1.20 -2.16 -0.31 0.00 0.00 175.10 173.60 2dme s PRO 36 N -2.97 4.21 0.33 4.82 0.04 -1.26 -4.91 135.00 135.26 2dme s PRO 36 Ca 0.59 1.95 0.09 0.00 0.04 0.00 0.00 61.00 63.67 2dme s PRO 36 Cb -0.11 -2.86 0.96 0.00 0.04 0.00 0.00 34.50 32.53 2dme s PRO 36 CO 0.15 -0.22 1.58 1.49 0.04 0.00 0.00 177.00 180.04 2dme h GLU 37 N 3.01 0.02 -0.74 4.56 4.81 -2.01 0.81 114.58 125.04 2dme h GLU 37 Ca -0.49 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2dme h GLU 37 Cb 1.23 -0.01 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 2dme h GLU 37 CO 0.64 0.02 -0.51 0.93 -0.73 0.00 0.00 179.01 179.36 2dme h GLU 38 N 0.03 -0.15 -0.19 1.92 3.07 -1.99 -1.32 114.58 115.94 2dme h GLU 38 Ca 0.68 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.57 2dme h GLU 38 Cb 1.58 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.50 2dme h GLU 38 CO -0.85 -0.10 -0.11 1.17 -1.40 0.00 0.00 179.01 177.72 2dme n LYS 39 N -5.36 -0.08 -0.08 2.33 3.00 0.28 0.27 118.16 118.52 2dme n LYS 39 Ca 0.02 1.05 -0.13 0.00 -0.00 0.00 0.00 58.31 59.25 2dme n LYS 39 Cb 0.33 -1.56 -0.08 0.00 0.00 0.00 0.00 35.03 33.72 2dme n LYS 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dme h ALA 40 N -0.66 -0.67 -0.03 3.14 0.00 -1.48 -2.20 119.26 117.35 2dme h ALA 40 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dme h ALA 40 Cb 0.08 0.97 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2dme h ALA 40 CO -0.18 -0.99 -0.11 0.00 0.00 0.00 0.00 179.25 177.97 2dme h ALA 41 N 0.06 -0.52 -0.72 0.00 0.00 -0.12 -1.24 119.26 116.72 2dme h ALA 41 Ca 0.08 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2dme h ALA 41 Cb 0.62 0.67 -0.11 0.00 0.00 0.00 0.00 17.79 18.98 2dme h ALA 41 CO -0.51 -0.56 -0.32 1.63 0.00 0.00 0.00 179.25 179.48 2dme n LYS 42 N -3.17 -0.21 0.20 0.00 5.02 0.14 -0.04 118.16 120.11 2dme n LYS 42 Ca -0.01 1.10 -0.17 0.00 -2.02 0.00 0.00 58.31 57.21 2dme n LYS 42 Cb 0.08 -1.62 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.06 -0.42 -0.18 2.07 -0.87 -1.80 116.25 115.11 2dme h VAL 43 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 2dme h VAL 43 Cb 0.39 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 2dme h VAL 43 CO -0.70 0.00 -0.44 0.00 0.02 0.00 0.00 177.57 176.45 2dme h ALA 44 N -0.59 -0.44 -0.93 1.67 0.00 0.73 0.38 119.26 120.09 2dme h ALA 44 Ca -0.03 0.06 0.25 0.00 0.00 0.00 0.00 54.91 55.20 2dme h ALA 44 Cb 0.79 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 2dme h ALA 44 CO -0.16 -0.87 0.65 1.15 0.00 0.00 0.00 179.25 180.02 2dme h THR 45 N -0.32 0.57 0.02 0.00 2.02 -0.80 -0.34 112.91 114.06 2dme h THR 45 Ca 0.14 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.15 2dme h THR 45 Cb 0.58 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2dme h THR 45 CO -0.59 0.03 -0.49 0.11 0.37 0.00 0.00 175.52 174.95 2dme h LYS 46 N 0.14 0.30 -0.78 6.66 1.79 0.51 -3.03 116.57 122.16 2dme h LYS 46 Ca 0.46 -0.35 0.07 0.00 -2.18 0.00 0.00 60.65 58.66 2dme h LYS 46 Cb 1.59 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 32.25 2dme h LYS 46 CO -0.08 1.05 -0.46 -0.89 -1.08 0.00 0.00 179.45 177.99 2dme n ILE 47 N -4.32 -0.53 0.11 1.86 2.08 0.32 -0.98 119.36 117.91 2dme n ILE 47 Ca -0.11 2.03 -0.13 0.00 0.56 0.00 0.00 62.75 65.10 2dme n ILE 47 Cb 0.63 -2.52 -0.08 0.00 -0.75 0.00 0.00 39.64 36.91 2dme n ILE 47 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2dme h GLU 48 N 0.00 -0.24 -1.01 0.38 3.07 -1.68 0.15 114.58 115.25 2dme h GLU 48 Ca 0.13 0.02 0.37 0.00 -0.50 0.00 0.00 59.36 59.37 2dme h GLU 48 Cb 0.32 0.06 -0.13 0.00 -0.84 0.00 0.00 28.75 28.16 2dme h GLU 48 CO -0.74 -0.03 0.62 1.17 -1.40 0.00 0.00 179.01 178.63 2dme n LYS 49 N -5.13 -0.04 -0.06 2.33 4.81 -0.15 0.71 118.16 120.64 2dme n LYS 49 Ca -0.09 1.06 -0.19 0.00 -0.87 0.00 0.00 58.31 58.22 2dme n LYS 49 Cb 0.18 -2.02 -0.13 0.00 0.02 0.00 0.00 35.03 33.08 2dme n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2dme n GLU 50 N -4.52 0.70 0.47 1.64 4.07 -0.58 -4.05 120.64 118.37 2dme n GLU 50 Ca 0.32 0.20 -0.19 0.00 -0.06 0.00 0.00 57.16 57.43 2dme n GLU 50 Cb 1.19 -1.62 -0.09 0.00 -0.06 0.00 0.00 31.44 30.86 2dme n GLU 50 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2dme h LEU 51 N 0.03 -1.00 -0.86 4.31 5.85 0.32 0.19 115.31 124.15 2dme h LEU 51 Ca -0.49 0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.47 2dme h LEU 51 Cb 1.99 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 43.15 2dme h LEU 51 CO 0.01 -0.70 0.31 0.15 -0.34 0.00 0.00 178.44 177.87 2dme h PHE 52 N -1.21 0.50 0.33 1.25 3.57 -0.24 -1.60 116.94 119.53 2dme h PHE 52 Ca -0.12 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2dme h PHE 52 Cb 0.91 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.57 2dme h PHE 52 CO -0.01 -0.10 -0.16 1.03 -2.23 0.00 0.00 178.31 176.84 2dme h SER 53 N 0.32 -0.38 -1.16 0.41 0.87 -1.65 1.78 113.55 113.74 2dme h SER 53 Ca 0.53 -0.17 0.42 0.00 -1.23 0.00 0.00 61.79 61.34 2dme h SER 53 Cb 1.02 0.10 -0.15 0.00 -0.44 0.00 0.00 62.40 62.92 2dme h SER 53 CO -0.56 0.02 0.69 0.15 -0.53 0.00 0.00 176.83 176.60 2dme h PHE 54 N -0.84 0.70 0.00 2.24 3.57 0.30 0.91 116.94 123.83 2dme h PHE 54 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2dme h PHE 54 Cb 0.52 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.09 2dme h PHE 54 CO 0.03 -0.32 -1.14 1.19 -2.23 0.00 0.00 178.31 175.83 2dme n PHE 55 N -4.98 0.00 -2.83 0.41 3.72 -0.80 -4.97 117.46 108.01 2dme n PHE 55 Ca 0.37 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.65 2dme n PHE 55 Cb 1.33 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 39.72 2dme n PHE 55 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2dme n ARG 56 N -1.64 -2.66 -3.62 -1.08 1.74 0.60 -4.82 116.66 105.18 2dme n ARG 56 Ca 0.01 0.31 -0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2dme n ARG 56 Cb 0.33 -4.90 -0.01 0.00 -1.02 0.00 0.00 32.46 26.87 2dme n ARG 56 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dme s ASP 57 N -2.27 -0.09 -0.59 0.55 2.15 -1.10 -5.00 116.67 110.33 2dme s ASP 57 Ca 0.15 -0.12 0.05 0.00 0.43 0.00 0.00 52.55 53.06 2dme s ASP 57 Cb -0.09 0.18 0.34 0.00 -0.30 0.00 0.00 42.92 43.05 2dme s ASP 57 CO 0.19 -0.33 0.95 0.35 -0.17 0.00 0.00 175.17 176.17 2dme n THR 58 N -0.40 3.10 -3.10 1.71 -2.24 -1.26 -4.73 114.28 107.36 2dme n THR 58 Ca -0.06 -5.58 -0.20 0.00 -2.27 0.00 0.00 64.05 55.94 2dme n THR 58 Cb 0.62 -1.44 0.06 0.00 -2.10 0.00 0.00 70.33 67.47 2dme n THR 58 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2dme s ASP 59 N -3.40 5.05 0.23 3.42 -4.77 -1.26 -4.87 116.67 111.07 2dme s ASP 59 Ca 0.48 -0.89 -0.18 0.00 -3.30 0.00 0.00 52.55 48.66 2dme s ASP 59 Cb 0.27 0.35 0.24 0.00 -1.09 0.00 0.00 42.92 42.69 2dme s ASP 59 CO -0.13 -1.35 1.55 0.00 0.70 0.00 0.00 175.17 175.93 2dme n ALA 60 N -2.23 -0.13 0.04 2.11 0.00 -1.26 -1.42 120.51 117.62 2dme n ALA 60 Ca 0.15 0.99 -0.07 0.00 0.00 0.00 0.00 53.44 54.51 2dme n ALA 60 Cb 0.62 -0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.58 2dme n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dme h LYS 61 N 0.00 -0.31 -0.99 0.00 1.57 -1.98 0.52 116.57 115.39 2dme h LYS 61 Ca 0.35 0.02 0.21 0.00 -1.87 0.00 0.00 60.65 59.36 2dme h LYS 61 Cb 0.59 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 32.79 2dme h LYS 61 CO -0.99 -0.21 -0.18 -0.92 -0.57 0.00 0.00 179.45 176.58 2dme h TYR 62 N -0.32 -0.41 -0.34 -1.35 3.20 -1.53 1.16 116.97 117.38 2dme h TYR 62 Ca 0.00 0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2dme h TYR 62 Cb 0.33 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 2dme h TYR 62 CO -0.40 -0.43 -0.20 0.87 -1.64 0.00 0.00 178.16 176.36 2dme h LYS 63 N 0.00 0.64 -0.67 1.82 1.57 -0.63 -2.52 116.57 116.79 2dme h LYS 63 Ca 0.50 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 2dme h LYS 63 Cb 0.84 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2dme h LYS 63 CO -0.99 0.80 0.39 -0.97 -0.57 0.00 0.00 179.45 178.10 2dme h ASN 64 N 0.57 0.81 -0.13 0.86 -0.73 0.65 -1.37 115.58 116.24 2dme h ASN 64 Ca 0.09 -0.05 -0.09 0.00 1.87 0.00 0.00 56.30 58.12 2dme h ASN 64 Cb 0.65 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2dme h ASN 64 CO 0.05 0.64 -0.25 0.50 -0.37 0.00 0.00 177.43 177.99 2dme h LYS 65 N 0.92 0.40 0.78 6.67 1.63 -0.80 -2.71 116.57 123.45 2dme h LYS 65 Ca 0.24 -0.26 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2dme h LYS 65 Cb -0.01 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2dme h LYS 65 CO -0.04 0.86 -0.47 -0.92 -3.45 0.00 0.00 179.45 175.42 2dme h TYR 66 N -0.02 -1.26 -0.33 1.91 3.20 -1.16 0.20 116.97 119.51 2dme h TYR 66 Ca 0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2dme h TYR 66 Cb 0.85 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2dme h TYR 66 CO 0.10 -0.71 0.38 0.07 -1.64 0.00 0.00 178.16 176.37 2dme h ARG 67 N -1.17 0.00 0.02 1.82 -0.00 -1.37 -1.74 114.38 111.94 2dme h ARG 67 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.87 2dme h ARG 67 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 2dme h ARG 67 CO 0.11 0.00 -0.01 1.03 -0.00 0.00 0.00 179.97 181.10 2dme h SER 68 N 0.00 -0.03 -0.90 0.08 0.87 -1.02 -1.60 113.55 110.96 2dme h SER 68 Ca 0.16 -0.63 0.19 0.00 -1.23 0.00 0.00 61.79 60.28 2dme h SER 68 Cb 0.92 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 62.78 2dme h SER 68 CO -0.00 0.76 0.45 -0.07 -0.53 0.00 0.00 176.83 177.44 2dme h LEU 69 N -0.96 0.49 0.00 2.23 3.38 0.23 0.41 115.31 121.08 2dme h LEU 69 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2dme h LEU 69 Cb 0.65 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dme h LEU 69 CO 0.00 0.13 -0.24 0.00 0.09 0.00 0.00 178.44 178.42 2dme h MET 70 N 0.54 0.00 -0.67 1.13 -0.00 -1.51 -3.33 114.93 111.09 2dme h MET 70 Ca 0.53 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 60.35 2dme h MET 70 Cb 0.90 0.00 -0.08 0.00 -0.00 0.00 0.00 31.60 32.41 2dme h MET 70 CO -0.44 0.00 0.24 0.35 -0.00 0.00 0.00 176.91 177.06 2dme h PHE 71 N 0.00 0.41 0.00 -0.10 3.04 0.87 0.36 116.94 121.52 2dme h PHE 71 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2dme h PHE 71 Cb 0.91 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2dme h PHE 71 CO 0.00 0.06 -0.00 0.09 -2.02 0.00 0.00 178.31 176.44 2dme n ASN 72 N -5.02 0.07 -0.02 0.41 3.02 -1.20 -2.99 115.26 109.53 2dme n ASN 72 Ca 0.11 0.50 -0.20 0.00 -0.03 0.00 0.00 54.58 54.97 2dme n ASN 72 Cb 0.34 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.86 2dme n ASN 72 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2dme h LEU 73 N 0.00 0.26 0.00 3.41 3.38 -0.55 -3.32 115.31 118.49 2dme h LEU 73 Ca 0.00 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2dme h LEU 73 Cb 0.52 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dme h LEU 73 CO 0.00 1.45 0.00 2.29 0.09 0.00 0.00 178.44 182.27 2dme n LYS 74 N -4.16 0.59 -2.61 1.13 2.85 0.25 -4.77 118.16 111.44 2dme n LYS 74 Ca -0.22 0.02 -0.43 0.00 -1.05 0.00 0.00 58.31 56.63 2dme n LYS 74 Cb 0.78 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.63 2dme n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dme s ASP 75 N -2.35 7.11 0.18 -5.58 1.11 -1.16 -4.93 116.67 111.04 2dme s ASP 75 Ca 0.33 1.51 -0.06 0.00 0.18 0.00 0.00 52.55 54.50 2dme s ASP 75 Cb 0.19 -2.55 0.08 0.00 1.07 0.00 0.00 42.92 41.71 2dme s ASP 75 CO 0.39 -0.62 1.53 1.55 1.18 0.00 0.00 175.17 179.19 2dme h PRO 76 N 7.48 0.76 0.00 8.23 0.13 -1.90 -2.84 132.00 143.86 2dme h PRO 76 Ca -0.25 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2dme h PRO 76 Cb 1.10 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2dme h PRO 76 CO 0.94 1.02 0.00 1.57 -0.23 0.00 0.00 178.00 181.30 2dme h LYS 77 N 0.62 0.00 -3.37 0.86 5.09 -1.96 -3.34 116.57 114.47 2dme h LYS 77 Ca 0.05 0.00 -0.65 0.00 0.09 0.00 0.00 60.65 60.14 2dme h LYS 77 Cb 0.96 0.00 -0.40 0.00 0.10 0.00 0.00 32.23 32.89 2dme h LYS 77 CO 0.09 0.00 -0.54 1.21 -2.09 0.00 0.00 179.45 178.12 2dme s ASN 78 N -4.88 4.65 -0.84 7.07 2.47 -1.07 -4.97 114.94 117.37 2dme s ASN 78 Ca 0.00 -3.15 0.01 0.00 0.42 0.00 0.00 52.86 50.14 2dme s ASN 78 Cb 0.09 -1.70 0.34 0.00 -1.45 0.00 0.00 41.25 38.54 2dme s ASN 78 CO 0.42 -0.23 1.59 -0.46 -3.72 0.00 0.00 177.10 174.69 2dme n ASN 79 N 2.97 6.46 0.10 -4.21 6.94 -1.26 -4.59 115.26 121.67 2dme n ASN 79 Ca 0.09 -3.72 0.00 0.00 -0.02 0.00 0.00 54.58 50.93 2dme n ASN 79 Cb 0.34 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 36.82 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 -0.23 0.43 -0.05 1.53 5.41 -1.26 -4.81 119.36 120.38 2dme n ILE 80 Ca 0.44 0.14 -0.02 0.00 1.00 0.00 0.00 62.75 64.31 2dme n ILE 80 Cb 0.32 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.31 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 0.00 -0.32 -1.55 1.39 5.85 -1.87 0.58 115.31 119.39 2dme h LEU 81 Ca 0.00 0.05 0.49 0.00 0.84 0.00 0.00 57.88 59.25 2dme h LEU 81 Cb 0.05 0.14 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 2dme h LEU 81 CO 0.00 -0.05 1.06 2.22 -0.34 0.00 0.00 178.44 181.33 2dme n PHE 82 N -3.25 0.36 0.05 1.25 1.16 -1.26 0.16 117.46 115.93 2dme n PHE 82 Ca -0.00 0.36 -0.21 0.00 -1.87 0.00 0.00 57.45 55.73 2dme n PHE 82 Cb 0.05 -0.81 -0.15 0.00 -1.61 0.00 0.00 39.48 36.96 2dme n PHE 82 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 2dme h LYS 83 N 0.00 0.32 -0.41 3.97 3.64 -0.38 -2.71 116.57 121.01 2dme h LYS 83 Ca 0.85 -0.54 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2dme h LYS 83 Cb 3.06 0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 35.06 2dme h LYS 83 CO -0.24 1.26 0.17 0.87 -2.27 0.00 0.00 179.45 179.24 2dme h LYS 84 N -0.32 0.58 -0.02 1.90 1.57 0.55 0.26 116.57 121.09 2dme h LYS 84 Ca -0.17 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 2dme h LYS 84 Cb 1.71 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.91 2dme h LYS 84 CO 0.15 0.47 -0.12 0.28 -0.57 0.00 0.00 179.45 179.66 2dme h VAL 85 N 0.58 1.50 0.07 0.50 2.07 -0.75 0.26 116.25 120.47 2dme h VAL 85 Ca 0.14 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.99 2dme h VAL 85 Cb 0.10 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2dme h VAL 85 CO -0.02 0.45 -0.03 -0.07 0.02 0.00 0.00 177.57 177.92 2dme h LEU 86 N -0.50 -0.07 -0.69 2.57 4.07 -1.28 -3.10 115.31 116.31 2dme h LEU 86 Ca -0.01 -0.23 0.07 0.00 0.08 0.00 0.00 57.88 57.80 2dme h LEU 86 Cb 0.80 0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.50 2dme h LEU 86 CO 0.03 0.19 0.38 0.11 -1.08 0.00 0.00 178.44 178.06 2dme h LYS 87 N -0.34 0.66 0.00 1.13 1.79 -0.60 -3.47 116.57 115.74 2dme h LYS 87 Ca -0.01 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2dme h LYS 87 Cb 0.30 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2dme h LYS 87 CO 0.01 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.23 2dme n GLY 88 N -1.29 1.33 0.33 3.86 0.00 -0.85 -4.99 105.19 103.56 2dme n GLY 88 Ca 0.10 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.39 2dme n GLY 88 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dme h GLU 89 N 0.00 0.06 -5.17 1.61 3.07 -1.08 -3.34 114.58 109.72 2dme h GLU 89 Ca 0.00 -0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 2dme h GLU 89 Cb 0.00 -0.01 -0.31 0.00 -0.84 0.00 0.00 28.75 27.58 2dme h GLU 89 CO 0.00 0.04 -0.82 0.08 -1.40 0.00 0.00 179.01 176.91 2dme s VAL 90 N -5.64 2.53 0.46 3.13 1.01 0.66 -4.97 120.40 117.58 2dme s VAL 90 Ca -0.10 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 2dme s VAL 90 Cb 0.32 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 2dme s VAL 90 CO 0.78 0.52 0.97 0.42 0.00 0.00 0.00 175.10 177.79 2dme s THR 91 N 0.88 4.29 -0.28 3.92 -4.23 -1.26 -4.29 115.64 114.68 2dme s THR 91 Ca -0.04 1.37 0.27 0.00 -1.18 0.00 0.00 61.69 62.10 2dme s THR 91 Cb -0.15 -3.58 0.30 0.00 1.34 0.00 0.00 72.50 70.40 2dme s THR 91 CO -0.02 -0.37 1.81 1.55 -0.54 0.00 0.00 174.62 177.05 2dme h PRO 92 N 1.66 0.00 0.00 3.99 0.13 -1.93 0.53 132.00 136.39 2dme h PRO 92 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2dme h PRO 92 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dme h PRO 92 CO 0.61 0.00 -1.20 -0.40 -0.23 0.00 0.00 178.00 176.78 2dme n ASP 93 N -2.52 0.56 -0.10 1.44 5.68 -1.26 -4.27 116.55 116.08 2dme n ASP 93 Ca 0.02 -0.17 -0.11 0.00 -0.50 0.00 0.00 54.79 54.03 2dme n ASP 93 Cb 0.25 0.99 -0.15 0.00 -1.14 0.00 0.00 41.12 41.07 2dme n ASP 93 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 2dme n HIS 94 N -2.06 0.00 -0.24 2.11 -0.00 -0.94 -4.35 115.22 109.73 2dme n HIS 94 Ca 0.01 0.00 0.32 0.00 0.46 0.00 0.00 57.72 58.51 2dme n HIS 94 Cb 0.47 -0.94 0.73 0.00 -0.12 0.00 0.00 29.99 30.12 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 0.14 0.27 5.85 -1.09 -0.04 115.31 120.45 2dme h LEU 95 Ca -0.52 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2dme h LEU 95 Cb 2.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.16 2dme h LEU 95 CO 0.01 0.00 -0.07 0.40 -0.34 0.00 0.00 178.44 178.44 2dme h ILE 96 N 0.00 0.97 -0.33 4.05 2.04 -1.79 -3.11 117.51 119.34 2dme h ILE 96 Ca 0.49 -1.11 0.10 0.00 1.00 0.00 0.00 64.86 65.34 2dme h ILE 96 Cb 2.09 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 2dme h ILE 96 CO -0.01 0.24 0.44 0.03 0.00 0.00 0.00 178.15 178.85 2dme h ARG 97 N -0.77 0.00 -7.14 2.37 3.08 -1.24 -3.42 114.38 107.26 2dme h ARG 97 Ca -0.02 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.49 2dme h ARG 97 Cb 0.53 0.00 0.18 0.00 0.08 0.00 0.00 29.97 30.76 2dme h ARG 97 CO 0.03 0.00 0.32 -1.33 -1.07 0.00 0.00 179.97 177.92 2dme n MET 98 N -3.53 0.41 -3.02 0.04 2.81 -0.96 -5.01 117.12 107.85 2dme n MET 98 Ca 0.06 0.21 -0.25 0.00 -1.81 0.00 0.00 57.70 55.90 2dme n MET 98 Cb 0.59 -2.42 -0.00 0.00 -0.71 0.00 0.00 33.22 30.68 2dme n MET 98 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2dme s SER 99 N -1.90 6.24 0.00 7.83 0.01 -1.26 -4.97 113.70 119.64 2dme s SER 99 Ca 0.75 0.64 0.15 0.00 1.31 0.00 0.00 55.95 58.80 2dme s SER 99 Cb -0.32 -2.08 0.69 0.00 0.21 0.00 0.00 66.02 64.52 2dme s SER 99 CO 0.49 -0.46 1.43 -0.81 0.41 0.00 0.00 173.24 174.30 2dme n PRO 100 N -2.02 0.13 -0.13 12.44 -0.04 -1.26 -2.82 135.00 141.30 2dme n PRO 100 Ca -0.02 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.38 2dme n PRO 100 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 2dme n PRO 100 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dme n GLU 101 N -1.37 0.62 -0.15 0.54 2.13 -1.26 -4.51 120.64 116.64 2dme n GLU 101 Ca 0.06 0.24 -0.05 0.00 0.66 0.00 0.00 57.16 58.07 2dme n GLU 101 Cb 0.14 -1.53 0.04 0.00 0.27 0.00 0.00 31.44 30.36 2dme n GLU 101 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2dme h GLU 102 N -0.60 0.43 -1.20 5.31 3.07 -1.91 -1.09 114.58 118.59 2dme h GLU 102 Ca -0.63 -0.03 0.35 0.00 -0.50 0.00 0.00 59.36 58.55 2dme h GLU 102 Cb 1.72 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 29.48 2dme h GLU 102 CO -0.27 0.28 1.12 -0.07 -1.40 0.00 0.00 179.01 178.67 2dme h LEU 103 N 0.44 0.00 0.01 1.33 3.38 -1.75 0.43 115.31 119.15 2dme h LEU 103 Ca 0.20 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.79 2dme h LEU 103 Cb 0.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2dme h LEU 103 CO -0.15 0.00 -2.41 0.00 0.09 0.00 0.00 178.44 175.97 2dme n ALA 104 N -2.49 1.40 -1.54 1.53 0.00 -0.52 -4.81 120.51 114.08 2dme n ALA 104 Ca 0.27 -1.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.21 2dme n ALA 104 Cb 1.49 -0.18 0.02 0.00 0.00 0.00 0.00 19.45 20.78 2dme n ALA 104 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dme n SER 105 N -3.19 0.17 -3.52 0.00 3.41 0.15 -4.86 113.62 105.77 2dme n SER 105 Ca -0.42 0.92 -0.40 0.00 -0.26 0.00 0.00 58.87 58.71 2dme n SER 105 Cb 1.02 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2dme n SER 105 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2dme n LYS 106 N 0.10 4.85 -2.35 4.33 3.00 -1.26 -4.81 118.16 122.02 2dme n LYS 106 Ca 0.11 -3.83 -0.41 0.00 -0.00 0.00 0.00 58.31 54.18 2dme n LYS 106 Cb 0.42 -2.58 0.01 0.00 0.00 0.00 0.00 35.03 32.87 2dme n LYS 106 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2dme n GLU 107 N 1.16 4.91 0.19 1.64 1.02 -1.26 -4.73 120.64 123.56 2dme n GLU 107 Ca 0.58 -4.05 -0.12 0.00 -0.02 0.00 0.00 57.16 53.54 2dme n GLU 107 Cb 0.25 -2.57 -0.07 0.00 -0.02 0.00 0.00 31.44 29.03 2dme n GLU 107 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2dme h LEU 108 N 5.11 -0.44 -1.75 -4.62 3.38 -1.99 -3.08 115.31 111.91 2dme h LEU 108 Ca 0.59 -0.13 0.53 0.00 0.09 0.00 0.00 57.88 58.95 2dme h LEU 108 Cb 0.35 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.12 2dme h LEU 108 CO 1.35 -0.02 1.23 0.00 0.09 0.00 0.00 178.44 181.09 2dme n ALA 109 N -2.58 1.69 -0.26 1.53 0.00 -1.26 -0.34 120.51 119.30 2dme n ALA 109 Ca -0.09 0.69 -0.02 0.00 0.00 0.00 0.00 53.44 54.02 2dme n ALA 109 Cb 0.28 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.69 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 1.12 0.17 -2.29 0.00 0.00 -1.93 -3.41 119.26 112.92 2dme h ALA 110 Ca 0.89 0.23 -0.56 0.00 0.00 0.00 0.00 54.91 55.48 2dme h ALA 110 Cb 3.40 0.76 0.20 0.00 0.00 0.00 0.00 17.79 22.16 2dme h ALA 110 CO -0.13 -0.58 -0.69 0.91 0.00 0.00 0.00 179.25 178.75 2dme n TRP 111 N -5.47 -1.71 -3.58 0.00 5.03 0.54 -5.00 117.44 107.26 2dme n TRP 111 Ca 0.07 0.28 -0.20 0.00 3.03 0.00 0.00 57.50 60.68 2dme n TRP 111 Cb 0.38 -1.80 -0.02 0.00 -1.03 0.00 0.00 31.31 28.83 2dme n TRP 111 CO 0.00 0.00 0.00 1.03 -0.03 0.00 0.00 177.69 178.69 2dme s ARG 112 N -2.70 2.71 -0.35 -0.99 0.52 -1.26 -5.05 118.95 111.82 2dme s ARG 112 Ca 0.59 -1.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.54 2dme s ARG 112 Cb -0.31 -2.52 0.45 0.00 0.52 0.00 0.00 34.95 33.09 2dme s ARG 112 CO 0.64 -0.06 1.14 0.54 0.02 0.00 0.00 175.30 177.58 2dme n ARG 113 N -1.53 3.34 -1.55 3.54 5.12 -1.26 -5.04 116.66 119.28 2dme n ARG 113 Ca 0.02 -4.24 -0.42 0.00 -1.93 0.00 0.00 57.85 51.28 2dme n ARG 113 Cb 0.60 -2.19 -0.04 0.00 -1.16 0.00 0.00 32.46 29.67 2dme n ARG 113 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2dme n ARG 114 N -0.58 1.36 -2.15 5.56 0.00 -1.26 -4.90 116.66 114.68 2dme n ARG 114 Ca 0.39 0.26 -0.41 0.00 -0.00 0.00 0.00 57.85 58.08 2dme n ARG 114 Cb 0.83 -3.10 -0.03 0.00 0.00 0.00 0.00 32.46 30.17 2dme n ARG 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dme s SER 115 N 9.70 6.82 0.00 6.15 0.15 -1.26 -4.68 113.70 130.58 2dme s SER 115 Ca 1.03 2.54 0.00 0.00 0.70 0.00 0.00 55.95 60.23 2dme s SER 115 Cb -0.41 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.27 2dme s SER 115 CO 0.35 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dme n GLY 116 N 1.83 -1.47 0.27 9.45 0.00 -1.26 -4.94 105.19 109.08 2dme n GLY 116 Ca 0.04 0.57 0.17 0.00 0.00 0.00 0.00 46.02 46.80 2dme n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dme h PRO 117 N 0.00 0.00 -4.37 1.61 0.13 -2.03 -3.46 132.00 123.89 2dme h PRO 117 Ca 0.00 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.50 2dme h PRO 117 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dme h PRO 117 CO 0.00 0.00 0.56 -1.13 -0.23 0.00 0.00 178.00 177.20 2dme n SER 118 N -3.05 0.84 -0.32 1.44 3.41 -1.26 -4.73 113.62 109.95 2dme n SER 118 Ca 0.01 0.82 0.16 0.00 -0.26 0.00 0.00 58.87 59.60 2dme n SER 118 Cb 0.29 -0.64 0.33 0.00 -0.26 0.00 0.00 64.21 63.93 2dme n SER 118 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dme h SER 119 N 3.98 -0.13 0.00 4.04 0.87 -2.02 -3.53 113.55 116.77 2dme h SER 119 Ca -0.29 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2dme h SER 119 Cb 1.00 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2dme h SER 119 CO 0.72 -0.26 0.00 0.61 -0.53 0.00 0.00 176.83 177.37