#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crq s SER 2 N 0.00 -0.60 0.01 1.61 0.15 -1.26 -5.18 113.70 108.43 2crq s SER 2 Ca 0.00 0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2crq s SER 2 Cb 0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2crq s SER 2 CO 0.00 -0.82 0.08 -0.55 1.20 0.00 0.00 173.24 173.15 2crq s SER 3 N -2.11 0.12 -0.09 5.45 0.15 -1.26 -5.16 113.70 110.81 2crq s SER 3 Ca -0.04 -0.36 -0.06 0.00 0.70 0.00 0.00 55.95 56.19 2crq s SER 3 Cb -0.01 0.17 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 2crq s SER 3 CO -0.04 -0.37 0.21 -0.83 1.20 0.00 0.00 173.24 173.41 2crq s GLY 4 N -1.55 -0.14 0.25 9.45 0.00 -1.26 -5.16 107.32 108.91 2crq s GLY 4 Ca -0.13 0.73 0.06 0.00 0.00 0.00 0.00 44.72 45.38 2crq s GLY 4 CO -0.00 0.80 -0.07 -0.56 0.00 0.00 0.00 173.10 173.27 2crq s SER 5 N 0.59 2.51 -0.09 1.64 0.01 -1.26 -5.10 113.70 112.01 2crq s SER 5 Ca -0.04 -1.15 -0.08 0.00 1.31 0.00 0.00 55.95 55.98 2crq s SER 5 Cb -0.05 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 2crq s SER 5 CO -0.03 -0.34 -0.16 -1.20 0.41 0.00 0.00 173.24 171.92 2crq n SER 6 N -0.50 1.00 -2.19 2.44 7.64 -1.26 -5.09 113.62 115.66 2crq n SER 6 Ca -0.06 0.24 -0.03 0.00 1.01 0.00 0.00 58.87 60.03 2crq n SER 6 Cb 0.63 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 2crq n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crq n GLY 7 N 1.53 -1.93 2.86 0.23 0.00 -1.26 -5.04 105.19 101.57 2crq n GLY 7 Ca -0.06 0.45 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 2crq n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crq n PRO 8 N -0.12 -2.77 -3.69 1.61 -0.04 -1.26 -5.10 135.00 123.63 2crq n PRO 8 Ca 0.04 -1.43 -0.15 0.00 -0.04 0.00 0.00 63.50 61.93 2crq n PRO 8 Cb 0.16 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.20 2crq n PRO 8 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2crq s LYS 9 N -5.03 0.79 -0.18 0.54 2.20 -1.26 -5.17 119.74 111.64 2crq s LYS 9 Ca 0.58 -0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 2crq s LYS 9 Cb -0.06 0.36 0.14 0.00 -1.51 0.00 0.00 37.83 36.76 2crq s LYS 9 CO 0.44 -0.23 1.05 -0.08 -0.36 0.00 0.00 175.35 176.17 2crq s THR 10 N -1.36 0.00 0.02 3.43 -1.32 -1.26 -5.19 115.64 109.96 2crq s THR 10 Ca -0.12 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.35 2crq s THR 10 Cb -0.04 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2crq s THR 10 CO 0.05 0.00 0.04 0.61 -2.21 0.00 0.00 174.62 173.12 2crq n GLY 11 N 0.66 2.02 0.44 6.08 0.00 -1.26 -5.18 105.19 107.95 2crq n GLY 11 Ca -0.08 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.85 2crq n GLY 11 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crq n PRO 12 N -0.03 -1.29 -1.44 1.61 -0.04 -1.26 -4.92 135.00 127.63 2crq n PRO 12 Ca -0.00 -0.22 -0.44 0.00 -0.04 0.00 0.00 63.50 62.80 2crq n PRO 12 Cb 0.03 -0.21 -0.01 0.00 -0.04 0.00 0.00 33.50 33.28 2crq n PRO 12 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2crq n THR 13 N -2.81 1.69 -3.35 0.52 5.66 -1.26 -4.98 114.28 109.74 2crq n THR 13 Ca 0.02 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.42 2crq n THR 13 Cb 0.07 -0.38 -0.08 0.00 -1.55 0.00 0.00 70.33 68.39 2crq n THR 13 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2crq s MET 14 N -1.32 0.35 -0.05 1.09 -1.94 -1.26 -5.14 119.30 111.04 2crq s MET 14 Ca 0.62 0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 55.06 2crq s MET 14 Cb -0.72 -0.49 0.03 0.00 2.01 0.00 0.00 34.83 35.66 2crq s MET 14 CO 0.59 -0.69 0.02 0.99 -0.01 0.00 0.00 175.02 175.91 2crq s THR 15 N 2.54 0.18 0.48 2.05 2.01 -1.26 -4.37 115.64 117.27 2crq s THR 15 Ca 0.12 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.29 2crq s THR 15 Cb -0.15 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 71.99 2crq s THR 15 CO -0.17 0.21 0.75 -0.54 -0.69 0.00 0.00 174.62 174.17 2crq s LYS 16 N 1.75 3.30 0.05 4.92 -0.14 -0.93 -5.02 119.74 123.66 2crq s LYS 16 Ca 0.01 -0.06 0.02 0.00 -1.36 0.00 0.00 55.97 54.57 2crq s LYS 16 Cb -0.13 -2.43 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 2crq s LYS 16 CO -0.03 -0.28 -0.07 -1.21 -0.76 0.00 0.00 175.35 173.00 2crq s GLU 17 N -4.70 0.54 -0.24 1.68 8.01 -1.26 -2.37 118.70 120.36 2crq s GLU 17 Ca 0.48 -0.84 -0.09 0.00 0.01 0.00 0.00 54.97 54.53 2crq s GLU 17 Cb -0.10 -0.19 0.10 0.00 -4.31 0.00 0.00 34.13 29.63 2crq s GLU 17 CO 0.42 0.02 0.54 -1.17 0.01 0.00 0.00 175.26 175.08 2crq s LEU 18 N -1.84 -0.83 -0.15 1.80 2.96 -0.13 -4.92 118.68 115.57 2crq s LEU 18 Ca -0.07 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.06 2crq s LEU 18 Cb -0.07 1.84 0.07 0.00 0.50 0.00 0.00 46.19 48.53 2crq s LEU 18 CO -0.01 -0.22 0.29 0.54 -1.32 0.00 0.00 176.35 175.62 2crq s VAL 19 N 2.54 -0.46 0.20 1.68 0.11 -1.26 -0.74 120.40 122.47 2crq s VAL 19 Ca -0.05 0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 2crq s VAL 19 Cb -0.11 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2crq s VAL 19 CO -0.16 0.08 0.14 2.22 -3.33 0.00 0.00 175.10 174.05 2crq n PHE 20 N 5.36 -0.29 -3.58 1.54 -1.74 -1.09 -4.98 117.46 112.67 2crq n PHE 20 Ca -0.06 -1.56 -0.37 0.00 -0.56 0.00 0.00 57.45 54.89 2crq n PHE 20 Cb 0.50 0.11 -0.06 0.00 1.52 0.00 0.00 39.48 41.55 2crq n PHE 20 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2crq s SER 21 N -2.35 6.60 0.57 5.98 0.15 -1.26 -1.72 113.70 121.66 2crq s SER 21 Ca 0.19 0.71 0.22 0.00 0.70 0.00 0.00 55.95 57.77 2crq s SER 21 Cb 0.01 -2.20 1.18 0.00 -1.71 0.00 0.00 66.02 63.30 2crq s SER 21 CO 0.14 0.25 1.63 -1.28 1.20 0.00 0.00 173.24 175.18 2crq h SER 22 N 5.50 0.00 -0.29 5.45 0.87 -1.93 0.96 113.55 124.11 2crq h SER 22 Ca -0.48 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 59.92 2crq h SER 22 Cb 1.20 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.07 2crq h SER 22 CO 0.66 0.00 0.19 -3.20 -0.53 0.00 0.00 176.83 173.95 2crq n ASN 23 N -2.61 3.25 0.08 6.23 5.15 -1.26 -4.12 115.26 121.99 2crq n ASN 23 Ca -0.01 -2.47 -0.21 0.00 -0.60 0.00 0.00 54.58 51.28 2crq n ASN 23 Cb 0.44 -0.61 -0.12 0.00 -0.53 0.00 0.00 39.78 38.96 2crq n ASN 23 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2crq h ILE 24 N 0.30 1.29 0.00 -1.44 2.10 -1.21 -3.51 117.51 115.05 2crq h ILE 24 Ca 0.19 -2.42 0.00 0.00 1.08 0.00 0.00 64.86 63.71 2crq h ILE 24 Cb 1.54 2.62 0.00 0.00 -1.09 0.00 0.00 36.82 39.89 2crq h ILE 24 CO 0.33 0.74 0.00 0.61 -1.08 0.00 0.00 178.15 178.75 2crq n GLY 25 N 1.30 0.85 0.11 8.18 0.00 -1.26 -4.23 105.19 110.14 2crq n GLY 25 Ca -0.13 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 2crq n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2crq h GLN 26 N 0.00 0.22 -0.96 1.61 5.75 -1.96 0.29 115.11 120.06 2crq h GLN 26 Ca 0.00 -0.16 0.12 0.00 -0.15 0.00 0.00 58.65 58.46 2crq h GLN 26 Cb 0.00 0.02 -0.08 0.00 1.07 0.00 0.00 27.48 28.49 2crq h GLN 26 CO 0.00 0.77 0.59 1.25 -2.65 0.00 0.00 178.83 178.78 2crq h HIS 27 N -0.29 1.06 0.04 3.99 2.76 -2.01 0.14 115.15 120.85 2crq h HIS 27 Ca -0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.13 2crq h HIS 27 Cb 0.77 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.40 2crq h HIS 27 CO 0.12 0.42 -0.34 -0.44 -1.30 0.00 0.00 177.93 176.39 2crq h ASP 28 N 0.94 0.13 -0.69 3.26 5.19 -1.73 -3.31 116.42 120.21 2crq h ASP 28 Ca 0.47 -0.95 0.17 0.00 -0.62 0.00 0.00 57.03 56.10 2crq h ASP 28 Cb 0.47 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 2crq h ASP 28 CO -0.27 1.15 0.48 0.25 -3.12 0.00 0.00 179.24 177.74 2crq h LEU 29 N -0.81 0.19 -0.86 1.55 5.85 -0.14 -0.97 115.31 120.12 2crq h LEU 29 Ca -0.07 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.84 2crq h LEU 29 Cb 1.21 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.11 2crq h LEU 29 CO 0.03 0.09 0.39 -0.78 -0.34 0.00 0.00 178.44 177.83 2crq h ASP 30 N 0.20 0.39 -0.11 1.25 3.58 -0.82 -1.09 116.42 119.82 2crq h ASP 30 Ca 0.34 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.89 2crq h ASP 30 Cb 1.04 0.08 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 2crq h ASP 30 CO -0.06 0.10 -0.00 0.74 -2.88 0.00 0.00 179.24 177.13 2crq h THR 31 N 0.49 1.26 -0.92 2.25 2.02 -1.35 -3.05 112.91 113.61 2crq h THR 31 Ca 0.50 -0.82 0.16 0.00 0.77 0.00 0.00 66.41 67.01 2crq h THR 31 Cb 0.84 1.60 -0.10 0.00 -1.74 0.00 0.00 68.15 68.75 2crq h THR 31 CO -0.45 0.24 0.51 0.11 0.37 0.00 0.00 175.52 176.30 2crq h LYS 32 N -0.09 0.69 -0.15 6.66 1.79 -1.25 0.25 116.57 124.46 2crq h LYS 32 Ca 0.03 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2crq h LYS 32 Cb 0.37 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2crq h LYS 32 CO 0.01 0.45 0.11 0.77 -1.08 0.00 0.00 179.45 179.71 2crq h SER 33 N 0.71 0.00 0.19 0.86 0.02 -1.16 -2.13 113.55 112.03 2crq h SER 33 Ca 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.45 2crq h SER 33 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2crq h SER 33 CO -0.36 0.00 -0.09 0.11 -1.14 0.00 0.00 176.83 175.35 2crq h LYS 34 N 0.00 -0.24 -0.49 3.45 1.57 -0.50 -1.33 116.57 119.03 2crq h LYS 34 Ca 0.07 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.01 2crq h LYS 34 Cb 0.29 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2crq h LYS 34 CO -0.00 0.15 0.45 0.37 -0.57 0.00 0.00 179.45 179.85 2crq h GLN 35 N -0.91 0.00 0.09 3.15 5.75 -1.15 0.40 115.11 122.44 2crq h GLN 35 Ca -0.03 0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.30 2crq h GLN 35 Cb 0.50 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.05 2crq h GLN 35 CO 0.04 0.00 -0.86 0.82 -2.65 0.00 0.00 178.83 176.19 2crq h ILE 36 N 0.00 1.38 -0.70 2.39 2.04 -1.39 -3.24 117.51 118.00 2crq h ILE 36 Ca 0.23 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.67 2crq h ILE 36 Cb 1.14 3.01 -0.03 0.00 -0.74 0.00 0.00 36.82 40.20 2crq h ILE 36 CO -0.00 0.65 0.45 -0.61 0.00 0.00 0.00 178.15 178.64 2crq h GLN 37 N -0.55 0.92 -0.23 2.37 4.15 0.01 -1.74 115.11 120.05 2crq h GLN 37 Ca -0.18 -0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.21 2crq h GLN 37 Cb 1.51 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 2crq h GLN 37 CO 0.06 0.63 0.01 -0.56 -1.93 0.00 0.00 178.83 177.03 2crq h GLN 38 N 0.94 0.08 0.28 1.69 3.07 -1.12 -2.01 115.11 118.05 2crq h GLN 38 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.98 2crq h GLN 38 Cb -0.09 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.46 2crq h GLN 38 CO -0.05 0.05 -0.14 -1.49 0.09 0.00 0.00 178.83 177.29 2crq h TRP 39 N 0.08 -0.36 -0.78 0.06 6.55 -1.51 -2.83 115.95 117.17 2crq h TRP 39 Ca 0.11 -0.01 0.18 0.00 0.95 0.00 0.00 58.89 60.12 2crq h TRP 39 Cb 0.13 0.12 -0.13 0.00 -0.86 0.00 0.00 29.16 28.43 2crq h TRP 39 CO -0.18 -0.22 0.12 0.82 -1.05 0.00 0.00 178.44 177.93 2crq h ILE 40 N -0.38 0.40 -0.89 1.49 1.08 -1.10 0.57 117.51 118.68 2crq h ILE 40 Ca -0.04 -0.06 0.23 0.00 -0.39 0.00 0.00 64.86 64.60 2crq h ILE 40 Cb 0.30 0.20 -0.16 0.00 -3.07 0.00 0.00 36.82 34.09 2crq h ILE 40 CO 0.06 0.03 0.09 -0.33 -0.69 0.00 0.00 178.15 177.31 2crq h GLU 41 N 0.19 0.09 -1.35 2.37 5.08 -1.10 0.89 114.58 120.75 2crq h GLU 41 Ca 0.44 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.52 2crq h GLU 41 Cb 0.81 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.90 2crq h GLU 41 CO -0.61 0.06 0.36 1.63 -1.00 0.00 0.00 179.01 179.46 2crq n LYS 42 N -5.36 1.69 -4.25 2.33 5.02 0.17 -4.85 118.16 112.91 2crq n LYS 42 Ca 0.20 -1.43 -0.32 0.00 -2.02 0.00 0.00 58.31 54.74 2crq n LYS 42 Cb 0.66 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 34.02 2crq n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crq n LYS 43 N 0.17 -0.86 -3.96 1.97 4.01 0.31 -4.90 118.16 114.90 2crq n LYS 43 Ca 0.28 0.08 -0.35 0.00 -0.51 0.00 0.00 58.31 57.81 2crq n LYS 43 Cb 0.74 -3.35 -0.12 0.00 -0.51 0.00 0.00 35.03 31.79 2crq n LYS 43 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2crq s TYR 44 N -4.26 3.10 -0.06 2.13 2.02 -1.06 -5.01 117.35 114.21 2crq s TYR 44 Ca 0.05 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.14 2crq s TYR 44 Cb -0.03 -2.14 -0.06 0.00 -0.40 0.00 0.00 41.96 39.33 2crq s TYR 44 CO 0.97 -0.19 1.82 -1.01 -1.57 0.00 0.00 175.55 175.56 2crq s HIS 45 N 1.08 1.66 -0.25 2.71 3.76 -1.26 -4.11 115.29 118.87 2crq s HIS 45 Ca 0.03 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2crq s HIS 45 Cb -0.14 -4.05 0.00 0.00 1.11 0.00 0.00 32.58 29.50 2crq s HIS 45 CO 0.02 -4.40 -0.01 0.08 -0.85 0.00 0.00 174.74 169.58 2crq s VAL 46 N 4.73 3.42 -0.40 -0.90 1.01 -1.25 -2.19 120.40 124.83 2crq s VAL 46 Ca 0.81 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2crq s VAL 46 Cb -0.36 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.38 2crq s VAL 46 CO 0.34 0.28 0.54 -1.58 0.00 0.00 0.00 175.10 174.68 2crq s GLN 47 N 1.45 3.38 -0.11 2.72 0.74 -1.00 -2.29 119.66 124.55 2crq s GLN 47 Ca 0.04 -0.38 -0.06 0.00 0.05 0.00 0.00 55.36 55.01 2crq s GLN 47 Cb -0.16 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.02 2crq s GLN 47 CO -0.02 -0.82 0.11 0.08 -0.55 0.00 0.00 175.29 174.10 2crq s VAL 48 N 2.47 5.23 -0.02 1.34 1.01 0.21 -0.95 120.40 129.69 2crq s VAL 48 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2crq s VAL 48 Cb -0.15 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.98 2crq s VAL 48 CO 0.15 0.60 0.01 -0.89 0.00 0.00 0.00 175.10 174.98 2crq s THR 49 N -1.01 0.05 -0.25 3.92 2.01 0.08 -0.76 115.64 119.68 2crq s THR 49 Ca 0.15 0.12 -0.07 0.00 0.31 0.00 0.00 61.69 62.21 2crq s THR 49 Cb -0.12 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 2crq s THR 49 CO 0.04 0.10 0.05 -0.63 -0.69 0.00 0.00 174.62 173.49 2crq s ILE 50 N 0.86 4.16 -0.09 1.82 -1.09 0.62 -2.69 121.20 124.80 2crq s ILE 50 Ca -0.08 -0.23 -0.20 0.00 -2.23 0.00 0.00 60.65 57.91 2crq s ILE 50 Cb -0.11 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.78 2crq s ILE 50 CO -0.02 0.34 0.55 -0.54 -1.23 0.00 0.00 174.94 174.05 2crq s LYS 51 N 1.59 4.36 0.35 2.79 -0.14 -0.70 -2.41 119.74 125.58 2crq s LYS 51 Ca 0.06 0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 55.25 2crq s LYS 51 Cb -0.15 -3.42 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 2crq s LYS 51 CO 0.03 0.17 0.59 1.03 -0.76 0.00 0.00 175.35 176.40 2crq s ARG 52 N 0.55 3.54 0.88 1.68 3.00 -1.25 -3.39 118.95 123.95 2crq s ARG 52 Ca 0.30 -0.14 -0.09 0.00 0.00 0.00 0.00 55.73 55.80 2crq s ARG 52 Cb -0.16 -2.61 0.19 0.00 0.00 0.00 0.00 34.95 32.37 2crq s ARG 52 CO 0.13 0.10 1.20 -0.98 0.00 0.00 0.00 175.30 175.76 2crq s ARG 53 N -4.16 0.90 -0.05 3.54 3.03 -1.26 -5.03 118.95 115.91 2crq s ARG 53 Ca 0.42 -0.86 -0.02 0.00 2.03 0.00 0.00 55.73 57.30 2crq s ARG 53 Cb -0.10 -2.06 -0.26 0.00 -1.03 0.00 0.00 34.95 31.50 2crq s ARG 53 CO 0.36 -2.12 0.63 -0.22 -1.13 0.00 0.00 175.30 172.82 2crq h LYS 54 N -1.23 0.22 -0.92 3.89 3.64 -2.02 -3.35 116.57 116.80 2crq h LYS 54 Ca -0.39 -0.37 -0.62 0.00 -1.27 0.00 0.00 60.65 58.00 2crq h LYS 54 Cb 1.24 0.14 -0.31 0.00 -0.41 0.00 0.00 32.23 32.88 2crq h LYS 54 CO 0.34 1.04 0.48 -3.47 -2.27 0.00 0.00 179.45 175.57 2crq n ASP 55 N -3.39 6.58 -4.54 4.20 -0.08 -1.26 -5.03 116.55 113.04 2crq n ASP 55 Ca -0.23 -3.77 -0.60 0.00 -1.51 0.00 0.00 54.79 48.69 2crq n ASP 55 Cb 1.05 -0.83 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crq n ALA 56 N -0.91 -3.24 -2.37 -1.67 0.00 -1.26 -4.87 120.51 106.19 2crq n ALA 56 Ca 0.58 0.58 -0.28 0.00 0.00 0.00 0.00 53.44 54.32 2crq n ALA 56 Cb 0.83 -1.79 0.01 0.00 0.00 0.00 0.00 19.45 18.49 2crq n ALA 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2crq n GLU 57 N 1.91 3.40 -3.30 0.00 0.28 -1.26 -5.03 120.64 116.65 2crq n GLU 57 Ca 0.22 -4.39 -0.00 0.00 -0.16 0.00 0.00 57.16 52.83 2crq n GLU 57 Cb 0.06 -2.26 0.01 0.00 1.43 0.00 0.00 31.44 30.69 2crq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2crq n GLN 58 N -0.52 0.30 -3.00 3.44 0.00 -1.26 -5.18 117.38 111.16 2crq n GLN 58 Ca 0.41 -0.81 -0.18 0.00 0.00 0.00 0.00 57.00 56.42 2crq n GLN 58 Cb 0.67 1.18 0.03 0.00 0.00 0.00 0.00 30.24 32.12 2crq n GLN 58 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2crq s SER 59 N -2.91 5.47 0.32 2.61 0.01 -1.26 -5.01 113.70 112.93 2crq s SER 59 Ca 0.19 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2crq s SER 59 Cb -0.01 -0.39 0.51 0.00 0.21 0.00 0.00 66.02 66.34 2crq s SER 59 CO 0.02 -0.95 1.94 -0.33 0.41 0.00 0.00 173.24 174.33 2crq h GLU 60 N 0.48 0.89 -1.01 12.44 5.08 -2.02 -2.72 114.58 127.72 2crq h GLU 60 Ca -0.37 -0.09 0.39 0.00 -1.00 0.00 0.00 59.36 58.28 2crq h GLU 60 Cb 1.28 -0.18 -0.14 0.00 0.50 0.00 0.00 28.75 30.21 2crq h GLU 60 CO 0.44 0.66 0.60 -1.91 -1.00 0.00 0.00 179.01 177.80 2crq n GLU 61 N -4.38 -0.04 -0.14 2.33 2.13 -1.26 0.24 120.64 119.52 2crq n GLU 61 Ca 0.06 1.14 -0.11 0.00 0.66 0.00 0.00 57.16 58.91 2crq n GLU 61 Cb 0.10 -2.14 -0.02 0.00 0.27 0.00 0.00 31.44 29.65 2crq n GLU 61 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2crq h GLU 62 N 0.00 0.75 -0.74 5.31 5.08 -1.89 -2.40 114.58 120.69 2crq h GLU 62 Ca 0.75 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.87 2crq h GLU 62 Cb 2.18 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 31.33 2crq h GLU 62 CO -0.54 0.87 0.46 1.15 -1.00 0.00 0.00 179.01 179.95 2crq h THR 63 N 0.56 1.07 -0.45 1.13 2.02 0.29 -2.46 112.91 115.07 2crq h THR 63 Ca 0.10 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.93 2crq h THR 63 Cb 0.58 0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 2crq h THR 63 CO 0.03 0.16 0.10 -0.33 0.37 0.00 0.00 175.52 175.85 2crq h GLU 64 N 0.88 0.73 -1.03 6.66 3.07 -1.32 -2.88 114.58 120.70 2crq h GLU 64 Ca 0.31 -0.18 0.36 0.00 -0.50 0.00 0.00 59.36 59.34 2crq h GLU 64 Cb 0.07 -0.09 -0.16 0.00 -0.84 0.00 0.00 28.75 27.73 2crq h GLU 64 CO -0.13 0.74 0.58 0.93 -1.40 0.00 0.00 179.01 179.73 2crq h GLU 65 N 0.61 0.21 -0.10 2.33 4.39 -0.93 -0.05 114.58 121.03 2crq h GLU 65 Ca 0.14 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.86 2crq h GLU 65 Cb 0.34 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.88 2crq h GLU 65 CO 0.00 0.14 -0.51 0.82 -1.16 0.00 0.00 179.01 178.31 2crq h ILE 66 N 0.22 0.04 -1.02 3.13 1.08 -1.48 0.15 117.51 119.62 2crq h ILE 66 Ca 0.77 0.00 0.30 0.00 -0.39 0.00 0.00 64.86 65.54 2crq h ILE 66 Cb 1.90 0.04 -0.14 0.00 -3.07 0.00 0.00 36.82 35.55 2crq h ILE 66 CO -0.63 0.00 0.60 -0.26 -0.69 0.00 0.00 178.15 177.17 2crq h PHE 67 N -0.58 0.92 0.31 1.37 0.04 -1.15 -0.49 116.94 117.35 2crq h PHE 67 Ca 0.04 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 2crq h PHE 67 Cb 0.68 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.58 2crq h PHE 67 CO -0.54 -0.08 -0.15 -0.91 -0.60 0.00 0.00 178.31 176.03 2crq h ASN 68 N 0.40 -0.36 -1.19 2.17 2.35 -1.00 -1.72 115.58 116.24 2crq h ASN 68 Ca 0.70 -0.17 0.34 0.00 -0.55 0.00 0.00 56.30 56.62 2crq h ASN 68 Cb 1.56 0.09 -0.05 0.00 0.05 0.00 0.00 38.32 39.98 2crq h ASN 68 CO -0.53 0.01 1.05 1.56 -1.65 0.00 0.00 177.43 177.87 2crq h GLN 69 N -0.77 0.00 0.06 0.81 4.20 0.58 0.40 115.11 120.39 2crq h GLN 69 Ca -0.04 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.44 2crq h GLN 69 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2crq h GLN 69 CO 0.07 0.00 -1.18 0.82 -0.67 0.00 0.00 178.83 177.88 2crq h ILE 70 N 0.00 1.09 0.00 2.54 2.04 -1.25 -3.34 117.51 118.60 2crq h ILE 70 Ca 0.56 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2crq h ILE 70 Cb 2.65 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 41.38 2crq h ILE 70 CO -0.01 0.57 0.00 0.25 0.00 0.00 0.00 178.15 178.97 2crq h LEU 71 N -0.61 0.00 -1.69 1.44 5.85 0.54 -1.65 115.31 119.19 2crq h LEU 71 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2crq h LEU 71 Cb 1.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.54 2crq h LEU 71 CO -0.03 0.00 0.00 1.56 -0.34 0.00 0.00 178.44 179.63 2crq h GLN 72 N 0.00 0.00 0.00 1.25 4.20 -0.67 0.65 115.11 120.54 2crq h GLN 72 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2crq h GLN 72 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2crq h GLN 72 CO 0.00 0.00 -1.39 0.25 -0.67 0.00 0.00 178.83 177.02 2crq n THR 73 N -2.83 0.28 -2.56 -0.54 -2.24 -0.62 -4.37 114.28 101.41 2crq n THR 73 Ca -0.00 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 2crq n THR 73 Cb 0.20 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.39 2crq n THR 73 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 2crq n MET 74 N -2.35 2.24 0.00 -0.78 0.00 -0.74 -4.85 117.12 110.64 2crq n MET 74 Ca -0.01 -3.74 0.07 0.00 0.00 0.00 0.00 57.70 54.02 2crq n MET 74 Cb 0.53 -1.76 0.32 0.00 0.00 0.00 0.00 33.22 32.32 2crq n MET 74 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2crq n PRO 75 N -0.46 0.07 0.00 3.17 -0.04 0.15 0.92 135.00 138.80 2crq n PRO 75 Ca 0.20 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2crq n PRO 75 Cb 0.82 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 2crq n PRO 75 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2crq n ASP 76 N -1.43 0.16 -0.00 3.54 5.68 -1.26 -4.71 116.55 118.53 2crq n ASP 76 Ca 0.05 -0.41 0.03 0.00 -0.50 0.00 0.00 54.79 53.96 2crq n ASP 76 Cb 0.15 0.85 -0.05 0.00 -1.14 0.00 0.00 41.12 40.93 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2crq n ILE 77 N -0.87 0.00 -4.11 2.12 3.06 -1.06 -4.82 119.36 113.69 2crq n ILE 77 Ca 0.00 -0.19 -0.09 0.00 -2.50 0.00 0.00 62.75 59.97 2crq n ILE 77 Cb 0.00 0.46 -0.10 0.00 0.54 0.00 0.00 39.64 40.53 2crq n ILE 77 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2crq s ALA 78 N -2.32 0.66 0.05 1.51 0.00 0.26 -3.87 121.76 118.05 2crq s ALA 78 Ca -0.02 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.63 2crq s ALA 78 Cb 0.04 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.38 2crq s ALA 78 CO 0.28 -0.26 0.33 -0.08 0.00 0.00 0.00 175.76 176.02 2crq s THR 79 N -3.34 0.08 -0.20 0.00 -1.32 0.17 -4.31 115.64 106.71 2crq s THR 79 Ca 0.05 -0.63 -0.28 0.00 -1.21 0.00 0.00 61.69 59.62 2crq s THR 79 Cb 0.04 -0.95 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 2crq s THR 79 CO -0.06 -0.35 2.15 -0.36 -2.21 0.00 0.00 174.62 173.79 2crq s PHE 80 N -2.57 1.25 -0.10 9.09 0.08 -1.26 -2.42 117.98 122.06 2crq s PHE 80 Ca -0.05 0.45 -0.16 0.00 0.12 0.00 0.00 56.93 57.30 2crq s PHE 80 Cb -0.01 -3.98 -0.27 0.00 -0.57 0.00 0.00 43.02 38.19 2crq s PHE 80 CO -0.03 -4.10 0.58 1.03 -0.10 0.00 0.00 175.22 172.59 2crq h SER 81 N 14.36 0.39 -3.18 1.36 0.87 -1.82 -3.45 113.55 122.08 2crq h SER 81 Ca -0.41 -0.86 -0.53 0.00 -1.23 0.00 0.00 61.79 58.76 2crq h SER 81 Cb 1.23 -0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 62.66 2crq h SER 81 CO 0.97 1.61 -0.76 -0.55 -0.53 0.00 0.00 176.83 177.56 2crq s SER 82 N -7.04 3.21 0.12 6.23 0.15 -1.22 -5.00 113.70 110.17 2crq s SER 82 Ca -0.19 -1.05 -0.33 0.00 0.70 0.00 0.00 55.95 55.08 2crq s SER 82 Cb 0.04 -0.61 -0.18 0.00 -1.71 0.00 0.00 66.02 63.56 2crq s SER 82 CO 0.77 -0.35 0.80 0.54 1.20 0.00 0.00 173.24 176.20 2crq n ARG 83 N 5.04 0.14 -2.12 5.44 5.12 -1.26 -3.99 116.66 125.03 2crq n ARG 83 Ca -0.07 0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.47 2crq n ARG 83 Cb 0.45 -1.29 -0.03 0.00 -1.16 0.00 0.00 32.46 30.44 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2crq s PRO 84 N -0.58 3.81 0.29 5.56 0.04 -1.26 -4.85 135.00 138.01 2crq s PRO 84 Ca 0.75 1.67 0.09 0.00 0.04 0.00 0.00 61.00 63.54 2crq s PRO 84 Cb -1.05 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 29.41 2crq s PRO 84 CO 0.56 -1.28 -0.11 -1.59 0.04 0.00 0.00 177.00 174.62 2crq s LYS 85 N 4.65 1.65 -0.38 4.56 0.00 -1.22 -4.93 119.74 124.07 2crq s LYS 85 Ca 0.71 -1.81 -0.29 0.00 0.00 0.00 0.00 55.97 54.58 2crq s LYS 85 Cb -0.25 -1.49 0.01 0.00 0.00 0.00 0.00 37.83 36.10 2crq s LYS 85 CO 0.29 0.16 1.33 0.00 0.00 0.00 0.00 175.35 177.13 2crq s ALA 86 N -2.75 3.18 0.37 0.59 0.00 -1.26 -3.24 121.76 118.65 2crq s ALA 86 Ca 0.30 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.22 2crq s ALA 86 Cb 0.01 -3.87 -0.00 0.00 0.00 0.00 0.00 23.12 19.25 2crq s ALA 86 CO 0.14 -2.14 0.52 0.96 0.00 0.00 0.00 175.76 175.24 2crq s ILE 87 N 4.89 3.73 -1.59 0.00 -4.36 -0.80 -4.46 121.20 118.60 2crq s ILE 87 Ca 0.57 -0.96 -0.04 0.00 -0.26 0.00 0.00 60.65 59.97 2crq s ILE 87 Cb -0.14 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.29 2crq s ILE 87 CO 0.29 -0.12 0.56 0.54 0.24 0.00 0.00 174.94 176.45 2crq n ARG 88 N -1.75 -4.66 0.00 0.37 1.74 -1.26 -1.84 116.66 109.26 2crq n ARG 88 Ca 0.02 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 2crq n ARG 88 Cb 0.58 -5.78 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2crq n GLY 89 N -1.49 2.19 0.00 -0.13 0.00 -1.26 -4.14 105.19 100.36 2crq n GLY 89 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2crq n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crq n GLY 90 N 0.00 -0.24 0.01 -0.02 0.00 -0.77 -5.03 105.19 99.14 2crq n GLY 90 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2crq n GLY 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2crq n THR 91 N 0.00 0.14 -3.69 2.61 -1.04 -1.10 -5.00 114.28 106.19 2crq n THR 91 Ca 0.00 -0.08 -0.12 0.00 -2.04 0.00 0.00 64.05 61.80 2crq n THR 91 Cb 0.00 -0.91 -0.07 0.00 -1.82 0.00 0.00 70.33 67.53 2crq n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2crq s ALA 92 N -2.05 -0.91 -0.03 2.41 0.00 -1.25 -3.88 121.76 116.04 2crq s ALA 92 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 2crq s ALA 92 Cb 0.01 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 2crq s ALA 92 CO 0.08 -0.44 0.16 0.45 0.00 0.00 0.00 175.76 176.01 2crq s SER 93 N -2.00 6.27 0.03 0.00 0.15 -1.01 -1.91 113.70 115.22 2crq s SER 93 Ca -0.05 0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.97 2crq s SER 93 Cb -0.01 -1.96 -0.02 0.00 -1.71 0.00 0.00 66.02 62.32 2crq s SER 93 CO -0.02 0.30 -0.10 -0.32 1.20 0.00 0.00 173.24 174.30 2crq s MET 94 N -1.71 0.66 -0.23 5.44 0.00 -1.20 -0.27 119.30 121.99 2crq s MET 94 Ca 0.24 -0.61 -0.26 0.00 0.00 0.00 0.00 55.69 55.06 2crq s MET 94 Cb -0.12 -0.58 0.09 0.00 0.00 0.00 0.00 34.83 34.21 2crq s MET 94 CO 0.15 0.14 0.80 0.00 0.00 0.00 0.00 175.02 176.11 2crq s VAL 96 N 0.03 4.29 0.02 0.00 1.01 -1.26 -0.61 120.40 123.89 2crq s VAL 96 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.20 2crq s VAL 96 Cb -0.04 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2crq s VAL 96 CO 0.01 0.15 -0.14 -0.36 0.00 0.00 0.00 175.10 174.76 2crq s PHE 97 N -1.32 2.68 0.07 5.22 0.40 -0.97 -2.49 117.98 121.57 2crq s PHE 97 Ca 0.27 -0.17 -0.03 0.00 -0.60 0.00 0.00 56.93 56.39 2crq s PHE 97 Cb -0.12 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.86 2crq s PHE 97 CO 0.19 0.29 0.04 -0.98 0.70 0.00 0.00 175.22 175.47 2crq s ARG 98 N -1.39 0.70 -0.04 0.44 1.70 -1.01 -3.74 118.95 115.60 2crq s ARG 98 Ca 0.15 -1.15 -0.26 0.00 -0.47 0.00 0.00 55.73 54.00 2crq s ARG 98 Cb -0.11 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2crq s ARG 98 CO 0.06 -0.17 0.81 -1.58 -1.08 0.00 0.00 175.30 173.34 2crq s HIS 99 N -3.91 3.60 -0.05 5.89 5.65 -1.26 0.42 115.29 125.64 2crq s HIS 99 Ca 0.07 1.43 -0.29 0.00 0.25 0.00 0.00 55.06 56.52 2crq s HIS 99 Cb 0.07 -2.94 -0.14 0.00 -1.18 0.00 0.00 32.58 28.39 2crq s HIS 99 CO -0.10 0.04 0.82 1.28 -0.65 0.00 0.00 174.74 176.13 2crq n LEU 100 N 3.89 0.11 -4.13 8.88 4.77 -1.25 -4.87 117.00 124.39 2crq n LEU 100 Ca 0.02 0.83 -0.25 0.00 -0.03 0.00 0.00 56.01 56.58 2crq n LEU 100 Cb 0.51 -0.65 0.24 0.00 -2.33 0.00 0.00 43.42 41.19 2crq n LEU 100 CO 0.49 -1.27 0.28 -0.24 -1.33 0.00 0.00 177.39 175.33 2crq n SER 101 N 1.31 -3.81 -0.01 -1.43 2.88 -1.26 -4.75 113.62 106.55 2crq n SER 101 Ca 0.15 -0.72 0.23 0.00 -1.33 0.00 0.00 58.87 57.21 2crq n SER 101 Cb 0.04 -0.91 0.68 0.00 -0.75 0.00 0.00 64.21 63.27 2crq n SER 101 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2crq h LYS 102 N -3.36 0.00 -6.25 -1.46 -0.00 -2.04 -3.41 116.57 100.06 2crq h LYS 102 Ca -0.33 0.00 -0.47 0.00 -0.00 0.00 0.00 60.65 59.86 2crq h LYS 102 Cb 1.09 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.32 2crq h LYS 102 CO 0.20 0.00 -0.38 0.21 -0.00 0.00 0.00 179.45 179.47 2crq s LYS 103 N -4.60 3.45 -1.01 0.07 2.47 -1.26 -4.56 119.74 114.30 2crq s LYS 103 Ca -0.04 -0.65 -0.00 0.00 -1.56 0.00 0.00 55.97 53.71 2crq s LYS 103 Cb 0.16 -2.85 -0.00 0.00 -1.46 0.00 0.00 37.83 33.68 2crq s LYS 103 CO 0.55 0.38 0.84 0.39 0.16 0.00 0.00 175.35 177.68 2crq n GLU 104 N -1.41 -5.45 -0.02 4.03 4.71 -1.26 -4.92 120.64 116.31 2crq n GLU 104 Ca -0.08 0.72 -0.11 0.00 -0.01 0.00 0.00 57.16 57.68 2crq n GLU 104 Cb 0.57 -5.35 -0.06 0.00 -1.01 0.00 0.00 31.44 25.59 2crq n GLU 104 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2crq h GLU 105 N -1.58 0.16 -6.22 3.49 3.07 -1.81 -3.46 114.58 108.22 2crq h GLU 105 Ca -0.50 -0.03 -0.45 0.00 -0.50 0.00 0.00 59.36 57.88 2crq h GLU 105 Cb 1.29 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2crq h GLU 105 CO 0.42 0.26 -0.81 1.17 -1.40 0.00 0.00 179.01 178.65 2crq n LYS 106 N -4.92 -4.97 -3.49 2.33 4.81 -1.26 -4.88 118.16 105.79 2crq n LYS 106 Ca -0.06 0.59 -0.15 0.00 -0.87 0.00 0.00 58.31 57.82 2crq n LYS 106 Cb 0.11 -5.23 -0.12 0.00 0.02 0.00 0.00 35.03 29.81 2crq n LYS 106 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2crq s SER 107 N -3.94 0.88 -0.91 3.14 0.15 -1.26 -4.92 113.70 106.84 2crq s SER 107 Ca 0.27 0.05 -0.33 0.00 0.70 0.00 0.00 55.95 56.65 2crq s SER 107 Cb -0.14 0.64 -0.21 0.00 -1.71 0.00 0.00 66.02 64.60 2crq s SER 107 CO 0.83 -0.30 2.61 0.61 1.20 0.00 0.00 173.24 178.19 2crq n GLY 108 N 5.34 -0.42 3.77 9.45 0.00 -1.26 -4.85 105.19 117.22 2crq n GLY 108 Ca -0.05 1.14 -0.35 0.00 0.00 0.00 0.00 46.02 46.76 2crq n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 109 N 8.54 3.41 -0.37 1.61 0.04 -1.26 -4.99 135.00 141.98 2crq s PRO 109 Ca 1.33 1.63 0.09 0.00 0.04 0.00 0.00 61.00 64.09 2crq s PRO 109 Cb -1.27 -2.05 0.44 0.00 0.04 0.00 0.00 34.50 31.66 2crq s PRO 109 CO 0.51 -0.81 1.10 0.43 0.04 0.00 0.00 177.00 178.27 2crq n SER 110 N -1.20 3.96 -4.66 6.66 7.64 -1.26 -5.06 113.62 119.70 2crq n SER 110 Ca 0.11 -3.42 -0.43 0.00 1.01 0.00 0.00 58.87 56.15 2crq n SER 110 Cb 0.51 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.24 2crq n SER 110 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2crq s SER 111 N -3.51 6.98 0.00 6.43 1.04 -1.26 -5.36 113.70 118.02 2crq s SER 111 Ca 0.44 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.52 2crq s SER 111 Cb 0.41 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.99 2crq s SER 111 CO -0.08 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.02