#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crq n SER 2 N 0.00 1.96 -4.28 1.61 2.88 -1.26 -5.04 113.62 109.49 2crq n SER 2 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 2crq n SER 2 Cb 0.00 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 2crq n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crq n SER 3 N -1.38 0.86 -3.44 -3.46 7.64 -1.26 -4.89 113.62 107.69 2crq n SER 3 Ca 0.00 -1.25 -0.28 0.00 1.01 0.00 0.00 58.87 58.35 2crq n SER 3 Cb 0.21 -1.55 -0.11 0.00 -1.01 0.00 0.00 64.21 61.75 2crq n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2crq s GLY 4 N -4.32 1.05 0.83 0.23 0.00 -1.26 -5.13 107.32 98.72 2crq s GLY 4 Ca 0.02 -2.17 -0.13 0.00 0.00 0.00 0.00 44.72 42.45 2crq s GLY 4 CO 0.98 2.09 1.19 -0.56 0.00 0.00 0.00 173.10 176.80 2crq s SER 5 N 0.55 3.45 0.27 1.64 0.01 -1.26 -5.05 113.70 113.31 2crq s SER 5 Ca 0.25 2.33 0.02 0.00 1.31 0.00 0.00 55.95 59.86 2crq s SER 5 Cb -0.10 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2crq s SER 5 CO -0.09 -2.76 0.16 -0.44 0.41 0.00 0.00 173.24 170.51 2crq s SER 6 N -2.28 1.07 0.00 2.44 0.01 -1.26 -5.17 113.70 108.52 2crq s SER 6 Ca 0.72 -1.51 0.00 0.00 1.31 0.00 0.00 55.95 56.47 2crq s SER 6 Cb -0.27 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.33 2crq s SER 6 CO 0.52 -0.87 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2crq n GLY 7 N -0.47 3.30 3.70 3.44 0.00 -1.26 -5.14 105.19 108.77 2crq n GLY 7 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2crq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 8 N 1.19 4.30 0.09 1.61 0.04 -1.26 -5.03 135.00 135.94 2crq s PRO 8 Ca 0.00 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2crq s PRO 8 Cb 0.00 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2crq s PRO 8 CO 0.00 -0.51 -0.23 -1.59 0.04 0.00 0.00 177.00 174.72 2crq s LYS 9 N 1.75 1.33 -0.01 4.56 -2.85 -1.26 -5.03 119.74 118.24 2crq s LYS 9 Ca 0.65 -1.14 0.17 0.00 -1.00 0.00 0.00 55.97 54.65 2crq s LYS 9 Cb -0.34 -1.60 -0.22 0.00 -2.06 0.00 0.00 37.83 33.61 2crq s LYS 9 CO 0.29 0.39 0.57 -2.37 0.10 0.00 0.00 175.35 174.33 2crq n THR 10 N 1.33 0.00 -0.72 3.79 5.66 -1.26 -5.01 114.28 118.06 2crq n THR 10 Ca -0.18 -0.22 0.01 0.00 -3.05 0.00 0.00 64.05 60.60 2crq n THR 10 Cb 0.53 0.64 -0.00 0.00 -1.55 0.00 0.00 70.33 69.95 2crq n THR 10 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2crq n GLY 11 N 1.45 -3.35 3.71 1.09 0.00 -1.26 -4.91 105.19 101.92 2crq n GLY 11 Ca 0.01 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2crq n GLY 11 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 12 N -4.55 1.02 -0.04 1.61 0.04 -1.26 -4.90 135.00 126.93 2crq s PRO 12 Ca 0.00 0.74 -0.38 0.00 0.04 0.00 0.00 61.00 61.40 2crq s PRO 12 Cb 0.00 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.59 2crq s PRO 12 CO 0.00 -2.38 1.45 -2.37 0.04 0.00 0.00 177.00 173.74 2crq n THR 13 N -3.97 0.09 -3.61 1.26 5.66 -1.26 -4.95 114.28 107.50 2crq n THR 13 Ca 0.06 -0.02 -0.03 0.00 -3.05 0.00 0.00 64.05 61.02 2crq n THR 13 Cb 0.56 -0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 68.38 2crq n THR 13 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 2crq s MET 14 N 1.41 0.49 -0.15 1.09 0.00 -1.26 -5.15 119.30 115.73 2crq s MET 14 Ca 0.89 0.92 -0.03 0.00 0.00 0.00 0.00 55.69 57.47 2crq s MET 14 Cb -1.01 0.23 0.05 0.00 0.00 0.00 0.00 34.83 34.09 2crq s MET 14 CO 0.54 -0.12 0.05 0.99 0.00 0.00 0.00 175.02 176.48 2crq s THR 15 N 1.74 0.21 0.13 10.11 2.01 -1.26 -3.89 115.64 124.69 2crq s THR 15 Ca -0.08 -0.21 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 2crq s THR 15 Cb -0.05 -0.69 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 2crq s THR 15 CO -0.17 -0.12 0.56 -0.54 -0.69 0.00 0.00 174.62 173.65 2crq s LYS 16 N 2.01 4.03 -0.08 4.92 -0.14 -0.40 -4.98 119.74 125.10 2crq s LYS 16 Ca 0.02 0.55 0.04 0.00 -1.36 0.00 0.00 55.97 55.22 2crq s LYS 16 Cb -0.15 -2.99 -0.00 0.00 -1.68 0.00 0.00 37.83 33.01 2crq s LYS 16 CO -0.07 0.51 -0.21 -1.21 -0.76 0.00 0.00 175.35 173.60 2crq s GLU 17 N -1.79 2.51 -0.12 1.68 2.02 -1.26 -0.24 118.70 121.49 2crq s GLU 17 Ca 0.36 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.60 2crq s GLU 17 Cb -0.16 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.09 2crq s GLU 17 CO 0.19 0.20 -0.15 -1.17 0.02 0.00 0.00 175.26 174.36 2crq s LEU 18 N 0.24 1.69 -0.18 1.80 2.96 0.01 -4.92 118.68 120.27 2crq s LEU 18 Ca -0.13 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.33 2crq s LEU 18 Cb -0.16 -1.11 0.05 0.00 0.50 0.00 0.00 46.19 45.47 2crq s LEU 18 CO 0.06 -0.01 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.38 2crq s VAL 19 N 1.18 0.84 0.28 1.68 1.01 -1.26 -0.11 120.40 124.02 2crq s VAL 19 Ca -0.02 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2crq s VAL 19 Cb -0.14 -1.19 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2crq s VAL 19 CO -0.05 -0.06 0.04 2.22 0.00 0.00 0.00 175.10 177.25 2crq n PHE 20 N 4.95 0.43 -3.55 5.22 -1.74 -1.15 -5.02 117.46 116.60 2crq n PHE 20 Ca -0.10 -1.57 -0.32 0.00 -0.56 0.00 0.00 57.45 54.90 2crq n PHE 20 Cb 0.47 -0.11 -0.05 0.00 1.52 0.00 0.00 39.48 41.31 2crq n PHE 20 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2crq s SER 21 N -2.63 6.57 0.42 5.98 1.04 -1.26 -1.79 113.70 122.02 2crq s SER 21 Ca 0.06 0.76 0.22 0.00 0.48 0.00 0.00 55.95 57.46 2crq s SER 21 Cb 0.00 -2.16 0.89 0.00 0.10 0.00 0.00 66.02 64.85 2crq s SER 21 CO 0.04 0.01 1.82 0.28 0.98 0.00 0.00 173.24 176.37 2crq h SER 22 N 2.77 0.00 -0.10 7.02 0.02 -0.32 -2.35 113.55 120.59 2crq h SER 22 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2crq h SER 22 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2crq h SER 22 CO 0.70 0.28 0.00 -3.20 -1.14 0.00 0.00 176.83 173.47 2crq n ASN 23 N -3.52 0.77 -4.67 3.07 5.15 -1.26 -4.90 115.26 109.89 2crq n ASN 23 Ca -0.00 -1.72 -0.47 0.00 -0.60 0.00 0.00 54.58 51.79 2crq n ASN 23 Cb 0.43 -0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 39.57 2crq n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2crq n ILE 24 N -0.20 0.11 -1.85 -1.44 3.06 -0.89 -4.97 119.36 113.17 2crq n ILE 24 Ca 0.11 -0.02 -0.30 0.00 -2.50 0.00 0.00 62.75 60.04 2crq n ILE 24 Cb 0.16 -1.58 0.21 0.00 0.54 0.00 0.00 39.64 38.98 2crq n ILE 24 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2crq s GLY 25 N 1.50 1.81 0.19 4.50 0.00 -1.26 -4.78 107.32 109.27 2crq s GLY 25 Ca 0.82 -1.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 2crq s GLY 25 CO 0.41 -0.46 1.55 -1.61 0.00 0.00 0.00 173.10 172.98 2crq h GLN 26 N -1.88 0.74 -0.22 2.90 5.75 -1.97 -0.56 115.11 119.86 2crq h GLN 26 Ca -0.44 -0.38 0.05 0.00 -0.15 0.00 0.00 58.65 57.74 2crq h GLN 26 Cb 1.22 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.72 2crq h GLN 26 CO 0.31 1.00 -0.11 1.25 -2.65 0.00 0.00 178.83 178.62 2crq h HIS 27 N 0.61 -0.28 0.24 3.99 2.76 -2.00 -0.31 115.15 120.16 2crq h HIS 27 Ca 0.05 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2crq h HIS 27 Cb 0.93 0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.05 2crq h HIS 27 CO 0.05 -0.18 -0.12 0.22 -1.30 0.00 0.00 177.93 176.60 2crq h ASP 28 N -0.09 -0.28 -1.00 3.26 1.82 -1.93 -3.30 116.42 114.90 2crq h ASP 28 Ca 0.12 -0.06 0.38 0.00 -0.39 0.00 0.00 57.03 57.08 2crq h ASP 28 Cb 0.27 0.07 -0.18 0.00 0.68 0.00 0.00 39.33 40.17 2crq h ASP 28 CO -0.28 0.20 0.40 0.25 -1.61 0.00 0.00 179.24 178.20 2crq h LEU 29 N -1.06 0.10 -0.82 2.28 5.85 -1.10 0.38 115.31 120.93 2crq h LEU 29 Ca -0.03 0.27 0.16 0.00 0.84 0.00 0.00 57.88 59.11 2crq h LEU 29 Cb 0.32 0.33 -0.16 0.00 0.37 0.00 0.00 40.66 41.53 2crq h LEU 29 CO 0.06 -0.42 -0.22 -0.78 -0.34 0.00 0.00 178.44 176.74 2crq h ASP 30 N 0.01 -0.81 -0.03 1.25 3.58 -1.12 0.51 116.42 119.79 2crq h ASP 30 Ca 0.78 0.25 -0.11 0.00 0.42 0.00 0.00 57.03 58.37 2crq h ASP 30 Cb 1.97 0.52 -0.01 0.00 1.72 0.00 0.00 39.33 43.53 2crq h ASP 30 CO -0.81 -0.28 -0.31 0.74 -2.88 0.00 0.00 179.24 175.70 2crq h THR 31 N -0.01 1.28 -0.23 2.25 2.02 -0.40 -2.35 112.91 115.47 2crq h THR 31 Ca 0.39 -1.39 0.03 0.00 0.77 0.00 0.00 66.41 66.20 2crq h THR 31 Cb 0.60 1.44 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 2crq h THR 31 CO -0.85 0.44 0.07 0.11 0.37 0.00 0.00 175.52 175.66 2crq h LYS 32 N 0.43 0.17 -0.30 6.66 1.79 0.16 -0.28 116.57 125.20 2crq h LYS 32 Ca 0.05 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 2crq h LYS 32 Cb 0.76 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2crq h LYS 32 CO 0.06 0.11 -0.04 0.77 -1.08 0.00 0.00 179.45 179.27 2crq h SER 33 N 0.17 0.55 -0.17 0.86 0.02 -1.07 -3.00 113.55 110.91 2crq h SER 33 Ca 0.10 -0.34 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2crq h SER 33 Cb 0.08 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 2crq h SER 33 CO -0.12 0.76 -0.11 0.11 -1.14 0.00 0.00 176.83 176.33 2crq h LYS 34 N 0.33 -0.10 -0.31 3.45 1.57 -1.16 -1.81 116.57 118.53 2crq h LYS 34 Ca 0.08 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2crq h LYS 34 Cb 0.50 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.76 2crq h LYS 34 CO 0.02 -0.07 -0.28 0.37 -0.57 0.00 0.00 179.45 178.93 2crq h GLN 35 N -0.11 -0.25 -0.43 3.15 5.75 -1.03 -1.59 115.11 120.60 2crq h GLN 35 Ca 0.10 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.69 2crq h GLN 35 Cb 0.25 0.06 -0.07 0.00 1.07 0.00 0.00 27.48 28.79 2crq h GLN 35 CO -0.23 -0.16 0.02 0.82 -2.65 0.00 0.00 178.83 176.62 2crq h ILE 36 N -0.26 0.69 -0.36 2.39 2.04 -1.33 -2.63 117.51 118.06 2crq h ILE 36 Ca 0.15 -0.04 0.05 0.00 1.00 0.00 0.00 64.86 66.02 2crq h ILE 36 Cb 0.50 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 2crq h ILE 36 CO -0.45 0.02 -0.56 -0.61 0.00 0.00 0.00 178.15 176.55 2crq h GLN 37 N 0.13 -0.42 -1.03 2.37 4.15 -0.44 0.28 115.11 120.15 2crq h GLN 37 Ca 0.21 0.03 0.26 0.00 0.77 0.00 0.00 58.65 59.92 2crq h GLN 37 Cb 0.30 0.10 -0.11 0.00 0.21 0.00 0.00 27.48 27.98 2crq h GLN 37 CO -0.34 -0.28 0.64 1.96 -1.93 0.00 0.00 178.83 178.88 2crq h GLN 38 N -0.43 0.47 0.19 1.69 1.08 -1.11 -0.96 115.11 116.02 2crq h GLN 38 Ca 0.06 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2crq h GLN 38 Cb 0.61 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2crq h GLN 38 CO -0.57 0.31 -0.09 -1.49 -0.95 0.00 0.00 178.83 176.04 2crq h TRP 39 N 0.48 -0.23 -0.88 2.96 6.55 -0.41 -3.21 115.95 121.20 2crq h TRP 39 Ca 0.62 -0.01 0.21 0.00 0.95 0.00 0.00 58.89 60.67 2crq h TRP 39 Cb 1.39 0.08 -0.12 0.00 -0.86 0.00 0.00 29.16 29.64 2crq h TRP 39 CO -0.00 0.16 0.37 0.82 -1.05 0.00 0.00 178.44 178.74 2crq h ILE 40 N -0.72 0.47 -1.11 1.49 1.08 0.68 0.22 117.51 119.62 2crq h ILE 40 Ca -0.03 -0.13 0.33 0.00 -0.39 0.00 0.00 64.86 64.64 2crq h ILE 40 Cb 0.50 0.06 -0.12 0.00 -3.07 0.00 0.00 36.82 34.19 2crq h ILE 40 CO 0.04 0.07 0.70 -0.33 -0.69 0.00 0.00 178.15 177.94 2crq h GLU 41 N 0.39 0.29 -1.00 2.37 5.08 -1.30 0.84 114.58 121.24 2crq h GLU 41 Ca 0.55 -0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 58.28 2crq h GLU 41 Cb 1.03 -0.06 -0.30 0.00 0.50 0.00 0.00 28.75 29.92 2crq h GLU 41 CO -0.53 0.19 0.78 1.63 -1.00 0.00 0.00 179.01 180.08 2crq n LYS 42 N -4.75 2.49 -4.35 2.33 5.02 0.76 -4.90 118.16 114.77 2crq n LYS 42 Ca 0.30 -3.15 -0.34 0.00 -2.02 0.00 0.00 58.31 53.10 2crq n LYS 42 Cb 1.06 -2.24 -0.09 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.01 -1.15 -3.40 1.97 4.76 0.29 -4.88 118.16 114.75 2crq n LYS 43 Ca 0.61 0.14 -0.41 0.00 -2.87 0.00 0.00 58.31 55.79 2crq n LYS 43 Cb 1.10 -4.00 -0.09 0.00 -1.84 0.00 0.00 35.03 30.19 2crq n LYS 43 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2crq s TYR 44 N -4.02 3.21 -0.24 2.13 2.02 -1.08 -4.98 117.35 114.39 2crq s TYR 44 Ca 0.24 0.03 -0.28 0.00 -0.37 0.00 0.00 57.07 56.69 2crq s TYR 44 Cb -0.14 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 2crq s TYR 44 CO 1.00 -0.41 2.13 -1.01 -1.57 0.00 0.00 175.55 175.69 2crq s HIS 45 N 2.04 1.30 -0.25 2.71 3.76 -1.25 -4.29 115.29 119.31 2crq s HIS 45 Ca 0.12 0.57 -0.09 0.00 -0.15 0.00 0.00 55.06 55.51 2crq s HIS 45 Cb -0.16 -3.97 -0.04 0.00 1.11 0.00 0.00 32.58 29.52 2crq s HIS 45 CO 0.12 -3.83 0.14 0.08 -0.85 0.00 0.00 174.74 170.39 2crq s VAL 46 N 8.05 5.00 -0.55 -0.90 1.01 -1.21 -1.28 120.40 130.52 2crq s VAL 46 Ca 0.96 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 2crq s VAL 46 Cb -0.31 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 32.85 2crq s VAL 46 CO 0.35 0.32 0.55 -1.58 0.00 0.00 0.00 175.10 174.74 2crq s GLN 47 N 1.37 3.01 -0.11 2.72 0.74 0.67 -2.06 119.66 125.99 2crq s GLN 47 Ca 0.06 -1.57 -0.25 0.00 0.05 0.00 0.00 55.36 53.65 2crq s GLN 47 Cb -0.15 -4.28 -0.03 0.00 1.10 0.00 0.00 33.01 29.66 2crq s GLN 47 CO 0.06 -1.37 0.78 0.08 -0.55 0.00 0.00 175.29 174.29 2crq s VAL 48 N 1.90 4.96 -0.27 1.34 1.01 0.31 -0.81 120.40 128.84 2crq s VAL 48 Ca 0.05 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 2crq s VAL 48 Cb -0.28 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.08 2crq s VAL 48 CO 0.04 0.14 0.05 -0.89 0.00 0.00 0.00 175.10 174.44 2crq s THR 49 N 1.48 1.04 0.01 3.92 2.01 0.84 -1.52 115.64 123.42 2crq s THR 49 Ca 0.38 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.91 2crq s THR 49 Cb -0.17 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.66 2crq s THR 49 CO 0.16 -0.44 0.70 -0.63 -0.69 0.00 0.00 174.62 173.71 2crq s ILE 50 N 1.57 4.85 -0.12 1.82 1.01 -0.65 -2.95 121.20 126.73 2crq s ILE 50 Ca 0.04 1.47 0.01 0.00 0.00 0.00 0.00 60.65 62.17 2crq s ILE 50 Cb -0.18 -4.04 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2crq s ILE 50 CO -0.16 0.36 -0.17 -0.54 0.00 0.00 0.00 174.94 174.43 2crq s LYS 51 N 0.07 3.26 0.38 2.79 1.02 -0.74 -1.70 119.74 124.81 2crq s LYS 51 Ca 0.36 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.59 2crq s LYS 51 Cb -0.19 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 2crq s LYS 51 CO 0.20 0.21 0.60 1.03 -0.92 0.00 0.00 175.35 176.47 2crq s ARG 52 N 0.32 3.47 0.23 1.68 0.52 -1.03 0.49 118.95 124.64 2crq s ARG 52 Ca -0.13 -0.25 -0.21 0.00 -0.52 0.00 0.00 55.73 54.62 2crq s ARG 52 Cb -0.16 -2.60 -0.08 0.00 0.52 0.00 0.00 34.95 32.62 2crq s ARG 52 CO 0.07 0.06 0.76 1.03 0.02 0.00 0.00 175.30 177.24 2crq s ARG 53 N -4.41 4.32 0.57 3.54 0.52 -1.26 -4.92 118.95 117.31 2crq s ARG 53 Ca 0.42 0.95 0.33 0.00 -0.52 0.00 0.00 55.73 56.90 2crq s ARG 53 Cb -0.10 -2.89 1.43 0.00 0.52 0.00 0.00 34.95 33.91 2crq s ARG 53 CO 0.38 0.39 1.75 0.87 0.02 0.00 0.00 175.30 178.71 2crq h LYS 54 N 3.45 0.00 -0.27 3.54 1.57 -2.00 0.15 116.57 123.01 2crq h LYS 54 Ca -0.48 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.07 2crq h LYS 54 Cb 1.19 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.21 2crq h LYS 54 CO 0.65 0.00 -0.86 -0.25 -0.57 0.00 0.00 179.45 178.42 2crq n ASP 55 N -3.85 2.24 -4.76 0.86 9.92 -1.26 -5.09 116.55 114.61 2crq n ASP 55 Ca 0.19 -2.93 -0.31 0.00 -0.53 0.00 0.00 54.79 51.22 2crq n ASP 55 Cb 1.11 -0.41 0.10 0.00 -0.64 0.00 0.00 41.12 41.28 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crq s ALA 56 N -2.59 2.08 -0.27 2.24 0.00 0.53 -4.99 121.76 118.76 2crq s ALA 56 Ca 0.37 0.14 0.09 0.00 0.00 0.00 0.00 51.96 52.56 2crq s ALA 56 Cb 0.37 -3.24 0.45 0.00 0.00 0.00 0.00 23.12 20.71 2crq s ALA 56 CO -0.06 -1.89 1.19 -0.85 0.00 0.00 0.00 175.76 174.14 2crq n GLU 57 N -3.59 3.12 -3.83 0.00 0.28 -1.26 -4.93 120.64 110.42 2crq n GLU 57 Ca 0.08 -3.96 -0.33 0.00 -0.16 0.00 0.00 57.16 52.80 2crq n GLU 57 Cb 0.54 -2.10 -0.11 0.00 1.43 0.00 0.00 31.44 31.19 2crq n GLU 57 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 2crq s GLN 58 N -3.50 2.40 0.40 3.44 -1.52 -1.26 -5.09 119.66 114.54 2crq s GLN 58 Ca 0.47 -2.79 -0.13 0.00 -1.95 0.00 0.00 55.36 50.96 2crq s GLN 58 Cb 0.40 -3.55 -0.11 0.00 -0.22 0.00 0.00 33.01 29.53 2crq s GLN 58 CO 0.01 -1.18 -0.13 0.43 -0.25 0.00 0.00 175.29 174.17 2crq n SER 59 N 2.96 -2.87 -0.27 5.90 7.64 -1.26 -4.30 113.62 121.41 2crq n SER 59 Ca 0.10 0.46 0.06 0.00 1.01 0.00 0.00 58.87 60.50 2crq n SER 59 Cb 0.35 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 63.09 2crq n SER 59 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2crq h GLU 60 N -0.07 0.07 -0.96 1.43 5.08 -1.98 0.55 114.58 118.70 2crq h GLU 60 Ca -0.31 -0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2crq h GLU 60 Cb 1.06 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 2crq h GLU 60 CO 0.30 0.05 0.61 1.05 -1.00 0.00 0.00 179.01 180.01 2crq h GLU 61 N 0.07 0.66 0.87 2.33 4.11 -2.00 -2.19 114.58 118.43 2crq h GLU 61 Ca 0.44 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.78 2crq h GLU 61 Cb 0.77 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2crq h GLU 61 CO -0.73 0.43 -0.42 0.93 0.07 0.00 0.00 179.01 179.30 2crq h GLU 62 N 0.68 -1.12 -1.15 1.06 5.08 -0.15 -1.18 114.58 117.80 2crq h GLU 62 Ca 0.52 0.08 0.33 0.00 -1.00 0.00 0.00 59.36 59.29 2crq h GLU 62 Cb 0.91 0.26 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 2crq h GLU 62 CO -0.28 -0.75 0.74 1.15 -1.00 0.00 0.00 179.01 178.87 2crq h THR 63 N -1.17 0.37 -0.18 1.13 2.02 -1.19 0.41 112.91 114.30 2crq h THR 63 Ca -0.12 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 66.78 2crq h THR 63 Cb 0.89 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2crq h THR 63 CO 0.20 0.05 -0.64 -0.08 0.37 0.00 0.00 175.52 175.41 2crq h GLU 64 N 0.26 0.75 -0.30 6.66 4.22 -1.15 -3.29 114.58 121.73 2crq h GLU 64 Ca 0.68 -0.57 0.07 0.00 0.08 0.00 0.00 59.36 59.62 2crq h GLU 64 Cb 1.93 0.10 -0.08 0.00 0.50 0.00 0.00 28.75 31.21 2crq h GLU 64 CO -0.33 1.18 -0.27 0.93 -2.18 0.00 0.00 179.01 178.34 2crq h GLU 65 N 0.47 -0.24 -0.72 1.92 4.39 0.11 -2.17 114.58 118.33 2crq h GLU 65 Ca -0.03 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.79 2crq h GLU 65 Cb 1.27 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.86 2crq h GLU 65 CO 0.14 -0.16 -0.30 -0.89 -1.16 0.00 0.00 179.01 176.64 2crq n ILE 66 N -5.40 -0.39 -0.28 3.13 5.41 -1.03 0.11 119.36 120.91 2crq n ILE 66 Ca -0.00 1.70 0.12 0.00 1.00 0.00 0.00 62.75 65.57 2crq n ILE 66 Cb 0.31 -2.23 0.23 0.00 -0.71 0.00 0.00 39.64 37.24 2crq n ILE 66 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2crq n PHE 67 N -5.05 0.50 -0.14 1.39 3.72 -0.81 0.19 117.46 117.25 2crq n PHE 67 Ca 0.07 0.96 -0.08 0.00 -0.05 0.00 0.00 57.45 58.34 2crq n PHE 67 Cb 0.28 -1.09 -0.00 0.00 -0.94 0.00 0.00 39.48 37.73 2crq n PHE 67 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2crq h ASN 68 N 0.00 0.54 -0.95 4.37 7.08 0.59 -2.31 115.58 124.90 2crq h ASN 68 Ca 0.48 -0.11 0.24 0.00 -3.08 0.00 0.00 56.30 53.83 2crq h ASN 68 Cb 0.98 -0.14 -0.06 0.00 -2.08 0.00 0.00 38.32 37.02 2crq h ASN 68 CO -0.75 0.50 0.64 1.56 -2.08 0.00 0.00 177.43 177.30 2crq h GLN 69 N 0.54 0.27 0.00 4.14 4.20 0.21 0.32 115.11 124.80 2crq h GLN 69 Ca 0.15 -0.02 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 2crq h GLN 69 Cb 0.09 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2crq h GLN 69 CO -0.02 0.18 -0.88 0.82 -0.67 0.00 0.00 178.83 178.25 2crq h ILE 70 N 0.28 1.48 0.00 2.54 2.04 -0.95 -3.07 117.51 119.83 2crq h ILE 70 Ca 0.49 -2.58 0.00 0.00 1.00 0.00 0.00 64.86 63.77 2crq h ILE 70 Cb 1.45 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.98 2crq h ILE 70 CO -0.15 0.76 0.00 -0.11 0.00 0.00 0.00 178.15 178.65 2crq n LEU 71 N -3.67 0.50 0.07 1.44 7.94 0.99 -2.79 117.00 121.47 2crq n LEU 71 Ca -0.04 0.58 0.10 0.00 -1.11 0.00 0.00 56.01 55.54 2crq n LEU 71 Cb 0.81 -0.45 0.42 0.00 0.53 0.00 0.00 43.42 44.73 2crq n LEU 71 CO 0.48 -0.26 0.82 0.00 -1.11 0.00 0.00 177.39 177.32 2crq n GLN 72 N -2.00 0.11 -0.03 1.96 1.13 -0.42 -0.56 117.38 117.57 2crq n GLN 72 Ca 0.05 0.31 0.03 0.00 -1.94 0.00 0.00 57.00 55.44 2crq n GLN 72 Cb 0.32 -1.70 -0.14 0.00 0.11 0.00 0.00 30.24 28.84 2crq n GLN 72 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2crq n THR 73 N -1.90 0.40 -2.43 5.09 -2.24 -1.12 -4.56 114.28 107.51 2crq n THR 73 Ca 0.03 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 2crq n THR 73 Cb 0.23 -0.14 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.30 2.66 0.00 -0.78 0.00 -1.08 -4.83 117.12 110.80 2crq n MET 74 Ca -0.12 -3.87 0.07 0.00 0.00 0.00 0.00 57.70 53.78 2crq n MET 74 Cb 0.67 -1.93 0.31 0.00 0.00 0.00 0.00 33.22 32.27 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 -0.59 0.01 0.00 3.17 -0.04 0.28 0.12 135.00 137.95 2crq n PRO 75 Ca 0.26 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2crq n PRO 75 Cb 0.86 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.49 0.05 -0.00 3.54 5.75 -1.26 -4.72 116.55 118.43 2crq n ASP 76 Ca 0.04 -0.43 0.02 0.00 -0.01 0.00 0.00 54.79 54.40 2crq n ASP 76 Cb 0.16 0.72 -0.02 0.00 -1.03 0.00 0.00 41.12 40.95 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2crq n ILE 77 N -0.72 0.00 -3.93 2.12 3.06 -1.09 -4.85 119.36 113.95 2crq n ILE 77 Ca 0.00 -0.22 -0.10 0.00 -2.50 0.00 0.00 62.75 59.93 2crq n ILE 77 Cb 0.00 0.66 -0.11 0.00 0.54 0.00 0.00 39.64 40.73 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 -1.86 -0.05 0.13 1.51 0.00 0.32 -4.14 121.76 117.67 2crq s ALA 78 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 2crq s ALA 78 Cb 0.02 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2crq s ALA 78 CO 0.14 -0.15 -0.02 -0.08 0.00 0.00 0.00 175.76 175.64 2crq s THR 79 N -1.19 0.58 -0.65 0.00 -1.32 0.85 -4.16 115.64 109.74 2crq s THR 79 Ca -0.13 -1.94 -0.26 0.00 -1.21 0.00 0.00 61.69 58.15 2crq s THR 79 Cb -0.08 -1.88 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 2crq s THR 79 CO -0.00 -0.68 1.89 -0.36 -2.21 0.00 0.00 174.62 173.25 2crq s PHE 80 N -3.71 1.67 0.02 9.09 0.40 -1.26 -2.15 117.98 122.03 2crq s PHE 80 Ca 0.18 0.78 -0.26 0.00 -0.60 0.00 0.00 56.93 57.03 2crq s PHE 80 Cb 0.06 -4.07 -0.16 0.00 0.51 0.00 0.00 43.02 39.36 2crq s PHE 80 CO -0.01 -2.23 1.25 1.03 0.70 0.00 0.00 175.22 175.96 2crq h SER 81 N 14.54 -0.49 -3.43 1.36 0.87 -1.22 -3.41 113.55 121.77 2crq h SER 81 Ca -0.21 -0.10 -0.61 0.00 -1.23 0.00 0.00 61.79 59.64 2crq h SER 81 Cb 1.14 0.13 -0.40 0.00 -0.44 0.00 0.00 62.40 62.83 2crq h SER 81 CO 1.22 -0.14 -0.75 -0.44 -0.53 0.00 0.00 176.83 176.19 2crq s SER 82 N -4.87 4.24 0.09 6.23 0.01 -0.92 -4.93 113.70 113.55 2crq s SER 82 Ca -0.14 -1.73 -0.27 0.00 1.31 0.00 0.00 55.95 55.12 2crq s SER 82 Cb 0.02 -1.19 -0.15 0.00 0.21 0.00 0.00 66.02 64.92 2crq s SER 82 CO 0.52 -0.37 0.61 0.54 0.41 0.00 0.00 173.24 174.95 2crq n ARG 83 N 4.61 0.00 -2.26 12.44 5.12 -1.26 -3.22 116.66 132.09 2crq n ARG 83 Ca -0.02 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.52 2crq n ARG 83 Cb 0.42 -0.98 -0.01 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.45 3.95 0.09 5.56 0.04 -1.26 -4.80 135.00 138.13 2crq s PRO 84 Ca 0.61 1.85 -0.07 0.00 0.04 0.00 0.00 61.00 63.43 2crq s PRO 84 Cb -0.87 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2crq s PRO 84 CO 0.45 -0.41 0.16 -1.59 0.04 0.00 0.00 177.00 175.65 2crq s LYS 85 N -2.41 0.83 -0.25 4.56 0.00 -1.21 -4.99 119.74 116.27 2crq s LYS 85 Ca 0.59 -1.03 -0.29 0.00 0.00 0.00 0.00 55.97 55.24 2crq s LYS 85 Cb -0.31 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 37.83 2crq s LYS 85 CO 0.38 -0.25 1.47 0.00 0.00 0.00 0.00 175.35 176.95 2crq s ALA 86 N -3.88 3.32 0.33 0.59 0.00 -1.26 -3.12 121.76 117.73 2crq s ALA 86 Ca 0.07 0.31 0.09 0.00 0.00 0.00 0.00 51.96 52.43 2crq s ALA 86 Cb 0.05 -3.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 2crq s ALA 86 CO -0.10 -1.85 0.05 0.96 0.00 0.00 0.00 175.76 174.82 2crq s ILE 87 N 4.79 2.90 -1.27 0.00 -4.36 0.10 -4.28 121.20 119.09 2crq s ILE 87 Ca 0.64 -1.88 -0.05 0.00 -0.26 0.00 0.00 60.65 59.11 2crq s ILE 87 Cb -0.21 -2.86 0.03 0.00 1.25 0.00 0.00 42.46 40.67 2crq s ILE 87 CO 0.26 -0.23 0.32 0.54 0.24 0.00 0.00 174.94 176.08 2crq n ARG 88 N -1.00 -3.21 -0.31 0.37 1.74 -1.26 0.33 116.66 113.32 2crq n ARG 88 Ca -0.04 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2crq n ARG 88 Cb 0.61 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 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 -1.10 0.71 0.00 -0.13 0.00 -1.26 -4.19 105.19 99.22 2crq n GLY 89 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.09 2.96 0.46 -0.02 0.00 0.15 -4.90 105.19 101.75 2crq n GLY 90 Ca 0.00 -0.76 0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.21 -4.36 2.61 -1.04 -1.23 -4.37 114.28 105.69 2crq n THR 91 Ca 0.00 1.63 -0.19 0.00 -2.04 0.00 0.00 64.05 63.45 2crq n THR 91 Cb 0.00 -2.67 -0.10 0.00 -1.82 0.00 0.00 70.33 65.74 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 -5.07 2.06 0.08 2.41 0.00 -1.15 -2.46 121.76 117.63 2crq s ALA 92 Ca -0.07 -1.69 0.06 0.00 0.00 0.00 0.00 51.96 50.27 2crq s ALA 92 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 2crq s ALA 92 CO 0.76 0.06 -0.17 -1.12 0.00 0.00 0.00 175.76 175.29 2crq s SER 93 N -3.33 1.99 -0.04 0.00 0.01 -0.69 0.02 113.70 111.67 2crq s SER 93 Ca 0.23 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 56.90 2crq s SER 93 Cb -0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2crq s SER 93 CO 0.07 -0.01 -0.12 -0.32 0.41 0.00 0.00 173.24 173.27 2crq s MET 94 N -1.73 1.31 -0.03 12.44 0.00 -1.18 -1.64 119.30 128.47 2crq s MET 94 Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 55.69 55.04 2crq s MET 94 Cb -0.10 -1.17 0.05 0.00 0.00 0.00 0.00 34.83 33.61 2crq s MET 94 CO 0.03 0.14 0.55 0.00 0.00 0.00 0.00 175.02 175.74 2crq s VAL 96 N -1.29 3.50 -0.11 0.00 1.01 -1.20 -0.53 120.40 121.79 2crq s VAL 96 Ca -0.12 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.72 2crq s VAL 96 Cb -0.02 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2crq s VAL 96 CO 0.08 0.15 -0.15 -0.36 0.00 0.00 0.00 175.10 174.81 2crq s PHE 97 N -1.20 1.99 0.29 5.22 0.40 -0.87 -0.70 117.98 123.10 2crq s PHE 97 Ca 0.22 -0.94 0.06 0.00 -0.60 0.00 0.00 56.93 55.67 2crq s PHE 97 Cb -0.11 -1.43 -0.06 0.00 0.51 0.00 0.00 43.02 41.93 2crq s PHE 97 CO 0.14 -0.48 -0.03 -0.98 0.70 0.00 0.00 175.22 174.57 2crq s ARG 98 N 0.97 1.57 0.21 0.44 1.70 -0.91 -3.35 118.95 119.58 2crq s ARG 98 Ca -0.07 -1.81 -0.24 0.00 -0.47 0.00 0.00 55.73 53.14 2crq s ARG 98 Cb -0.15 -1.09 -0.08 0.00 -0.57 0.00 0.00 34.95 33.05 2crq s ARG 98 CO -0.01 -0.01 0.79 -1.58 -1.08 0.00 0.00 175.30 173.40 2crq s HIS 99 N -3.07 3.80 0.82 5.89 5.65 -1.26 -0.11 115.29 127.01 2crq s HIS 99 Ca 0.31 1.59 -0.16 0.00 0.25 0.00 0.00 55.06 57.05 2crq s HIS 99 Cb 0.05 -2.75 -0.06 0.00 -1.18 0.00 0.00 32.58 28.63 2crq s HIS 99 CO 0.13 0.42 0.08 1.28 -0.65 0.00 0.00 174.74 175.99 2crq n LEU 100 N 1.17 -1.74 -4.58 8.88 4.77 -1.26 -4.86 117.00 119.38 2crq n LEU 100 Ca -0.03 0.44 -0.27 0.00 -0.03 0.00 0.00 56.01 56.11 2crq n LEU 100 Cb 0.50 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 40.44 2crq n LEU 100 CO 0.45 -4.20 -0.26 -0.55 -1.33 0.00 0.00 177.39 171.50 2crq s SER 101 N -1.42 3.32 0.24 -1.43 0.15 -1.26 -4.88 113.70 108.41 2crq s SER 101 Ca 0.56 -1.48 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2crq s SER 101 Cb -0.29 0.03 0.59 0.00 -1.71 0.00 0.00 66.02 64.63 2crq s SER 101 CO 0.68 -0.66 1.22 0.29 1.20 0.00 0.00 173.24 175.97 2crq n LYS 102 N -0.94 -0.06 -0.22 5.44 4.76 -1.26 0.15 118.16 126.02 2crq n LYS 102 Ca -0.07 1.17 -0.13 0.00 -2.87 0.00 0.00 58.31 56.41 2crq n LYS 102 Cb 0.67 -1.85 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 2crq n LYS 102 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2crq h LYS 103 N 0.00 -0.26 -0.95 1.97 3.64 -2.01 -2.25 116.57 116.71 2crq h LYS 103 Ca 0.47 0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 59.26 2crq h LYS 103 Cb 0.96 0.06 -0.38 0.00 -0.41 0.00 0.00 32.23 32.46 2crq h LYS 103 CO -0.73 -0.17 -0.23 0.39 -2.27 0.00 0.00 179.45 176.43 2crq n GLU 104 N -5.26 3.29 -4.11 1.90 -0.58 0.10 -5.00 120.64 110.99 2crq n GLU 104 Ca -0.02 -3.92 -0.13 0.00 -0.42 0.00 0.00 57.16 52.67 2crq n GLU 104 Cb 0.31 -2.28 -0.11 0.00 -0.57 0.00 0.00 31.44 28.79 2crq n GLU 104 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2crq s GLU 105 N -3.68 0.65 -0.34 3.49 2.56 0.12 -4.55 118.70 116.95 2crq s GLU 105 Ca 0.55 -0.92 -0.04 0.00 0.00 0.00 0.00 54.97 54.55 2crq s GLU 105 Cb 0.44 -0.37 0.06 0.00 2.00 0.00 0.00 34.13 36.25 2crq s GLU 105 CO -0.02 0.06 0.09 0.21 -0.56 0.00 0.00 175.26 175.04 2crq s LYS 106 N -2.11 2.45 -1.34 4.30 2.20 -1.26 -4.71 119.74 119.28 2crq s LYS 106 Ca -0.04 -1.33 -0.09 0.00 -0.36 0.00 0.00 55.97 54.15 2crq s LYS 106 Cb -0.07 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2crq s LYS 106 CO -0.00 -0.73 0.48 0.43 -0.36 0.00 0.00 175.35 175.17 2crq n SER 107 N 4.72 -1.77 0.00 1.43 7.64 -1.26 -4.94 113.62 119.44 2crq n SER 107 Ca -0.11 -1.08 0.00 0.00 1.01 0.00 0.00 58.87 58.69 2crq n SER 107 Cb 0.43 -2.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.87 2crq n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crq n GLY 108 N -2.01 0.24 3.57 0.23 0.00 -1.26 -5.09 105.19 100.87 2crq n GLY 108 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 0.59 -1.58 -0.30 1.61 0.04 -1.26 -5.05 135.00 129.05 2crq s PRO 109 Ca 0.00 -0.19 -0.06 0.00 0.04 0.00 0.00 61.00 60.79 2crq s PRO 109 Cb 0.00 -1.57 0.16 0.00 0.04 0.00 0.00 34.50 33.14 2crq s PRO 109 CO 0.00 -3.93 0.64 -1.54 0.04 0.00 0.00 177.00 172.22 2crq s SER 110 N -3.99 -1.24 -0.18 6.66 1.04 -1.26 -4.88 113.70 109.86 2crq s SER 110 Ca 0.72 1.20 -0.30 0.00 0.48 0.00 0.00 55.95 58.05 2crq s SER 110 Cb -0.08 2.21 0.14 0.00 0.10 0.00 0.00 66.02 68.39 2crq s SER 110 CO 0.56 -0.23 1.07 -0.94 0.98 0.00 0.00 173.24 174.67 2crq s SER 111 N 2.87 -0.30 0.00 7.02 1.04 -1.26 -5.08 113.70 118.00 2crq s SER 111 Ca 0.07 0.30 0.18 0.00 0.48 0.00 0.00 55.95 56.98 2crq s SER 111 Cb -0.13 0.25 0.14 0.00 0.10 0.00 0.00 66.02 66.38 2crq s SER 111 CO -0.20 -0.29 1.06 0.61 0.98 0.00 0.00 173.24 175.40