#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 1.53 -3.84 1.61 7.64 -1.26 -4.93 113.62 114.38 2crq n SER 2 Ca 0.00 1.16 -0.22 0.00 1.01 0.00 0.00 58.87 60.82 2crq n SER 2 Cb 0.00 -0.96 -0.17 0.00 -1.01 0.00 0.00 64.21 62.08 2crq n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2crq s SER 3 N 3.12 1.28 0.00 6.43 0.01 -1.26 -5.11 113.70 118.17 2crq s SER 3 Ca 1.03 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.17 2crq s SER 3 Cb -1.37 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 64.40 2crq s SER 3 CO 0.77 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.91 2crq n GLY 4 N 4.59 1.51 3.78 3.44 0.00 -1.26 -5.15 105.19 112.09 2crq n GLY 4 Ca -0.16 0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 2crq n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crq s SER 5 N 0.00 6.74 0.26 1.61 1.04 -1.26 -5.06 113.70 117.03 2crq s SER 5 Ca 0.00 2.12 0.08 0.00 0.48 0.00 0.00 55.95 58.63 2crq s SER 5 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2crq s SER 5 CO 0.00 -0.51 -0.11 -0.94 0.98 0.00 0.00 173.24 172.66 2crq s SER 6 N -1.42 2.87 0.00 7.02 1.04 -1.26 -5.09 113.70 116.86 2crq s SER 6 Ca 0.57 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.89 2crq s SER 6 Cb -0.25 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2crq s SER 6 CO 0.31 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2crq n GLY 7 N -0.53 -0.70 3.77 7.32 0.00 -1.26 -5.14 105.19 108.65 2crq n GLY 7 Ca -0.06 0.45 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 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 0.17 4.13 0.00 1.61 0.04 -1.26 -4.94 135.00 134.75 2crq s PRO 8 Ca 0.00 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2crq s PRO 8 Cb 0.00 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.76 2crq s PRO 8 CO 0.00 -0.27 0.00 1.63 0.04 0.00 0.00 177.00 178.40 2crq n LYS 9 N 0.27 0.00 0.18 4.56 5.02 -1.26 -4.87 118.16 122.06 2crq n LYS 9 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2crq n LYS 9 Cb 0.45 -0.62 -0.07 0.00 -0.02 0.00 0.00 35.03 34.78 2crq n LYS 9 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 2crq h THR 10 N 0.00 0.47 -1.27 -0.18 1.35 -1.96 -3.48 112.91 107.84 2crq h THR 10 Ca 0.00 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.99 2crq h THR 10 Cb 0.41 0.47 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 2crq h THR 10 CO 0.00 0.00 -0.39 0.61 -0.25 0.00 0.00 175.52 175.49 2crq n GLY 11 N -1.37 -2.45 3.77 5.82 0.00 -1.26 -4.88 105.19 104.81 2crq n GLY 11 Ca -0.09 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 -2.82 4.39 -0.21 1.61 0.04 -1.26 -4.89 135.00 131.86 2crq s PRO 12 Ca 0.00 2.03 -0.43 0.00 0.04 0.00 0.00 61.00 62.65 2crq s PRO 12 Cb 0.00 -3.05 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 2crq s PRO 12 CO 0.00 -0.09 1.34 -2.37 0.04 0.00 0.00 177.00 175.93 2crq n THR 13 N 0.80 0.02 -3.73 1.26 5.66 -1.26 -4.95 114.28 112.09 2crq n THR 13 Ca 0.00 -0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2crq n THR 13 Cb 0.43 -0.33 -0.12 0.00 -1.55 0.00 0.00 70.33 68.76 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 1.45 0.29 -0.09 1.09 -1.94 -1.26 -5.14 119.30 113.69 2crq s MET 14 Ca 0.97 0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 55.51 2crq s MET 14 Cb -1.33 -0.03 0.03 0.00 2.01 0.00 0.00 34.83 35.52 2crq s MET 14 CO 0.67 -0.13 -0.00 0.99 -0.01 0.00 0.00 175.02 176.53 2crq s THR 15 N 1.05 0.48 0.71 2.05 2.01 -1.26 -3.19 115.64 117.49 2crq s THR 15 Ca -0.07 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 2crq s THR 15 Cb -0.08 -0.67 0.10 0.00 0.01 0.00 0.00 72.50 71.87 2crq s THR 15 CO -0.08 0.22 0.99 -0.54 -0.69 0.00 0.00 174.62 174.52 2crq s LYS 16 N 1.92 1.85 -0.09 4.92 -0.14 0.44 -4.95 119.74 123.70 2crq s LYS 16 Ca 0.04 -0.77 -0.05 0.00 -1.36 0.00 0.00 55.97 53.83 2crq s LYS 16 Cb -0.13 -2.27 0.03 0.00 -1.68 0.00 0.00 37.83 33.79 2crq s LYS 16 CO -0.06 -1.37 0.21 -1.21 -0.76 0.00 0.00 175.35 172.16 2crq s GLU 17 N -5.18 0.19 -0.08 1.68 2.02 -1.26 -1.18 118.70 114.89 2crq s GLU 17 Ca 0.64 0.40 0.03 0.00 0.02 0.00 0.00 54.97 56.06 2crq s GLU 17 Cb -0.07 -0.05 0.01 0.00 0.10 0.00 0.00 34.13 34.12 2crq s GLU 17 CO 0.44 -0.11 -0.17 -1.17 0.02 0.00 0.00 175.26 174.27 2crq s LEU 18 N 0.81 1.81 0.04 1.80 2.96 0.67 -4.87 118.68 121.90 2crq s LEU 18 Ca -0.06 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2crq s LEU 18 Cb -0.07 -1.06 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 2crq s LEU 18 CO -0.05 0.08 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.26 2crq s VAL 19 N 0.57 0.82 -0.27 1.68 1.01 -1.26 -0.17 120.40 122.78 2crq s VAL 19 Ca -0.16 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2crq s VAL 19 Cb -0.17 -0.79 0.16 0.00 0.00 0.00 0.00 36.38 35.59 2crq s VAL 19 CO 0.05 -0.13 1.25 0.72 0.00 0.00 0.00 175.10 177.00 2crq s PHE 20 N -0.96 -0.21 0.64 5.22 -0.12 -1.11 -4.99 117.98 116.46 2crq s PHE 20 Ca -0.02 0.47 -0.16 0.00 -0.05 0.00 0.00 56.93 57.16 2crq s PHE 20 Cb -0.08 0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 42.75 2crq s PHE 20 CO 0.01 -0.13 1.13 -1.12 -0.05 0.00 0.00 175.22 175.07 2crq s SER 21 N -0.27 5.09 0.00 1.98 0.01 -1.26 -2.60 113.70 116.65 2crq s SER 21 Ca 0.05 2.12 0.12 0.00 1.31 0.00 0.00 55.95 59.54 2crq s SER 21 Cb -0.04 -2.57 0.63 0.00 0.21 0.00 0.00 66.02 64.25 2crq s SER 21 CO -0.09 -1.64 1.23 -1.20 0.41 0.00 0.00 173.24 171.94 2crq n SER 22 N -2.19 0.00 -0.96 2.44 7.64 -0.06 -2.11 113.62 118.39 2crq n SER 22 Ca 0.11 -0.05 0.04 0.00 1.01 0.00 0.00 58.87 59.99 2crq n SER 22 Cb 0.51 -0.19 0.18 0.00 -1.01 0.00 0.00 64.21 63.70 2crq n SER 22 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2crq n ASN 23 N -1.19 2.69 -4.72 6.43 5.15 -1.26 -4.92 115.26 117.44 2crq n ASN 23 Ca 0.07 -2.27 -0.42 0.00 -0.60 0.00 0.00 54.58 51.36 2crq n ASN 23 Cb 0.07 -0.45 -0.03 0.00 -0.53 0.00 0.00 39.78 38.84 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2crq s ILE 24 N -1.71 3.30 0.81 -1.44 2.07 -0.90 -5.01 121.20 118.31 2crq s ILE 24 Ca 0.25 0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 60.34 2crq s ILE 24 Cb 0.17 -3.62 0.08 0.00 0.13 0.00 0.00 42.46 39.21 2crq s ILE 24 CO 0.11 0.10 1.16 -0.83 -1.91 0.00 0.00 174.94 173.56 2crq s GLY 25 N 0.86 1.60 0.41 1.50 0.00 -1.26 -4.81 107.32 105.62 2crq s GLY 25 Ca 0.62 -0.57 0.18 0.00 0.00 0.00 0.00 44.72 44.95 2crq s GLY 25 CO 0.33 -0.09 1.88 -1.61 0.00 0.00 0.00 173.10 173.61 2crq h GLN 26 N -1.05 0.00 -0.05 2.90 5.75 -1.98 0.57 115.11 121.25 2crq h GLN 26 Ca -0.46 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 57.92 2crq h GLN 26 Cb 1.32 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 2crq h GLN 26 CO 0.65 0.30 -0.51 0.45 -2.65 0.00 0.00 178.83 177.07 2crq h HIS 27 N 0.00 0.17 0.03 3.99 3.86 -2.00 -2.35 115.15 118.85 2crq h HIS 27 Ca -0.00 -0.06 -0.22 0.00 -1.16 0.00 0.00 60.37 58.93 2crq h HIS 27 Cb 0.60 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2crq h HIS 27 CO 0.00 0.62 -1.18 -0.44 0.86 0.00 0.00 177.93 177.80 2crq h ASP 28 N 0.11 0.10 -0.31 2.45 5.19 -1.83 -3.36 116.42 118.78 2crq h ASP 28 Ca 0.00 -0.67 0.09 0.00 -0.62 0.00 0.00 57.03 55.83 2crq h ASP 28 Cb 0.94 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.41 2crq h ASP 28 CO 0.07 1.48 0.25 0.25 -3.12 0.00 0.00 179.24 178.17 2crq h LEU 29 N -0.79 0.00 -0.26 1.55 5.85 -0.97 -1.57 115.31 119.12 2crq h LEU 29 Ca -0.30 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.44 2crq h LEU 29 Cb 1.40 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 2crq h LEU 29 CO -0.11 0.00 0.10 -0.78 -0.34 0.00 0.00 178.44 177.31 2crq h ASP 30 N 0.00 0.12 0.19 1.25 1.82 -1.56 -2.53 116.42 115.72 2crq h ASP 30 Ca 0.14 0.02 -0.18 0.00 -0.39 0.00 0.00 57.03 56.63 2crq h ASP 30 Cb 0.65 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 2crq h ASP 30 CO -0.00 0.11 -0.68 0.74 -1.61 0.00 0.00 179.24 177.80 2crq h THR 31 N 0.23 1.36 -0.35 2.25 2.02 -1.48 -3.12 112.91 113.82 2crq h THR 31 Ca 0.11 -2.03 0.08 0.00 0.77 0.00 0.00 66.41 65.34 2crq h THR 31 Cb 0.07 2.01 -0.08 0.00 -1.74 0.00 0.00 68.15 68.41 2crq h THR 31 CO -0.11 0.62 -0.19 0.11 0.37 0.00 0.00 175.52 176.32 2crq h LYS 32 N 0.32 -0.13 -0.35 6.66 1.79 -1.05 0.78 116.57 124.58 2crq h LYS 32 Ca -0.02 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2crq h LYS 32 Cb 1.24 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 2crq h LYS 32 CO 0.12 -0.09 0.19 0.77 -1.08 0.00 0.00 179.45 179.36 2crq h SER 33 N -0.14 0.45 -0.63 0.86 0.02 -1.50 -2.41 113.55 110.19 2crq h SER 33 Ca 0.18 -0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.11 2crq h SER 33 Cb 0.41 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.77 2crq h SER 33 CO -0.44 0.42 0.29 0.11 -1.14 0.00 0.00 176.83 176.07 2crq h LYS 34 N 0.44 0.50 0.74 3.45 1.57 -1.28 -1.38 116.57 120.61 2crq h LYS 34 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2crq h LYS 34 Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2crq h LYS 34 CO -0.02 0.33 -0.42 0.37 -0.57 0.00 0.00 179.45 179.15 2crq h GLN 35 N 0.52 -1.03 -0.87 3.15 -0.00 -0.61 -2.76 115.11 113.50 2crq h GLN 35 Ca 0.30 0.07 0.19 0.00 -0.00 0.00 0.00 58.65 59.22 2crq h GLN 35 Cb 0.31 0.24 -0.11 0.00 0.00 0.00 0.00 27.48 27.91 2crq h GLN 35 CO -0.25 -0.69 0.39 0.82 0.00 0.00 0.00 178.83 179.09 2crq h ILE 36 N -1.07 0.55 -0.42 2.39 2.04 -1.17 -0.95 117.51 118.87 2crq h ILE 36 Ca -0.10 -0.15 0.09 0.00 1.00 0.00 0.00 64.86 65.70 2crq h ILE 36 Cb 0.85 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 2crq h ILE 36 CO 0.12 0.08 -0.21 -0.61 0.00 0.00 0.00 178.15 177.53 2crq h GLN 37 N 0.45 -0.13 -0.86 2.37 4.15 -0.97 0.15 115.11 120.27 2crq h GLN 37 Ca 0.52 0.01 0.15 0.00 0.77 0.00 0.00 58.65 60.10 2crq h GLN 37 Cb 0.92 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.57 2crq h GLN 37 CO -0.48 -0.08 0.56 1.96 -1.93 0.00 0.00 178.83 178.86 2crq h GLN 38 N -0.13 0.58 0.46 1.69 1.08 -1.00 -1.83 115.11 115.95 2crq h GLN 38 Ca 0.20 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.35 2crq h GLN 38 Cb 0.45 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2crq h GLN 38 CO -0.50 0.38 -0.22 -1.49 -0.95 0.00 0.00 178.83 176.05 2crq h TRP 39 N 0.60 -0.57 -1.08 2.96 6.55 -0.65 -3.20 115.95 120.55 2crq h TRP 39 Ca 0.43 -0.01 0.32 0.00 0.95 0.00 0.00 58.89 60.58 2crq h TRP 39 Cb 0.80 0.19 -0.13 0.00 -0.86 0.00 0.00 29.16 29.16 2crq h TRP 39 CO -0.00 -0.29 0.66 0.82 -1.05 0.00 0.00 178.44 178.58 2crq h ILE 40 N -1.10 0.36 -0.45 1.49 1.08 -0.69 0.11 117.51 118.31 2crq h ILE 40 Ca -0.06 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 2crq h ILE 40 Cb 0.54 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.20 2crq h ILE 40 CO 0.10 0.06 -0.15 -0.33 -0.69 0.00 0.00 178.15 177.14 2crq h GLU 41 N 0.33 -0.05 -1.15 2.37 4.39 -1.34 0.17 114.58 119.30 2crq h GLU 41 Ca 0.70 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 60.24 2crq h GLU 41 Cb 1.76 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 30.33 2crq h GLU 41 CO -0.46 -0.03 0.21 1.63 -1.16 0.00 0.00 179.01 179.19 2crq n LYS 42 N -5.36 1.39 -3.99 2.33 5.02 0.31 -4.82 118.16 113.04 2crq n LYS 42 Ca 0.03 -0.90 -0.28 0.00 -2.02 0.00 0.00 58.31 55.14 2crq n LYS 42 Cb 0.27 -1.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.18 -3.62 -3.47 1.97 4.76 0.61 -4.92 118.16 113.66 2crq n LYS 43 Ca 0.18 0.43 -0.39 0.00 -2.87 0.00 0.00 58.31 55.66 2crq n LYS 43 Cb 0.78 -4.81 -0.10 0.00 -1.84 0.00 0.00 35.03 29.07 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 -3.72 3.23 -0.39 2.13 2.02 -0.88 -4.90 117.35 114.84 2crq s TYR 44 Ca 0.24 0.18 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 2crq s TYR 44 Cb -0.13 -2.52 -0.01 0.00 -0.40 0.00 0.00 41.96 38.90 2crq s TYR 44 CO 0.89 -0.25 1.73 -1.01 -1.57 0.00 0.00 175.55 175.33 2crq s HIS 45 N 1.93 1.90 -0.31 2.71 3.76 -1.19 -4.00 115.29 120.09 2crq s HIS 45 Ca 0.11 0.65 -0.11 0.00 -0.15 0.00 0.00 55.06 55.56 2crq s HIS 45 Cb -0.16 -4.16 -0.02 0.00 1.11 0.00 0.00 32.58 29.35 2crq s HIS 45 CO 0.11 -2.67 0.19 0.08 -0.85 0.00 0.00 174.74 171.60 2crq s VAL 46 N 6.92 5.04 -0.57 -0.90 1.01 -1.26 0.17 120.40 130.81 2crq s VAL 46 Ca 0.74 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2crq s VAL 46 Cb -0.19 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.75 2crq s VAL 46 CO 0.32 0.09 0.68 -1.58 0.00 0.00 0.00 175.10 174.60 2crq s GLN 47 N 1.69 3.06 0.11 2.72 0.74 -0.33 -3.08 119.66 124.58 2crq s GLN 47 Ca 0.06 -1.23 -0.24 0.00 0.05 0.00 0.00 55.36 54.00 2crq s GLN 47 Cb -0.17 -4.23 -0.07 0.00 1.10 0.00 0.00 33.01 29.65 2crq s GLN 47 CO 0.09 -1.45 0.73 0.08 -0.55 0.00 0.00 175.29 174.19 2crq s VAL 48 N 2.63 4.54 -0.11 1.34 1.01 -0.69 -0.24 120.40 128.89 2crq s VAL 48 Ca 0.12 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.65 2crq s VAL 48 Cb -0.23 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2crq s VAL 48 CO 0.07 0.48 0.07 -0.89 0.00 0.00 0.00 175.10 174.84 2crq s THR 49 N -0.81 -0.07 -0.13 3.92 2.01 0.76 -2.21 115.64 119.11 2crq s THR 49 Ca 0.35 0.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.30 2crq s THR 49 Cb -0.22 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.85 2crq s THR 49 CO 0.24 -0.06 0.34 -0.63 -0.69 0.00 0.00 174.62 173.81 2crq s ILE 50 N 2.14 5.25 -0.13 1.82 1.01 -1.06 -2.73 121.20 127.50 2crq s ILE 50 Ca 0.03 0.66 -0.03 0.00 0.00 0.00 0.00 60.65 61.31 2crq s ILE 50 Cb -0.14 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 2crq s ILE 50 CO -0.06 0.41 -0.03 -0.54 0.00 0.00 0.00 174.94 174.72 2crq s LYS 51 N 0.21 3.41 0.45 2.79 1.02 -1.07 -2.44 119.74 124.11 2crq s LYS 51 Ca 0.19 -0.49 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2crq s LYS 51 Cb -0.14 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 2crq s LYS 51 CO 0.06 0.40 0.53 1.03 -0.92 0.00 0.00 175.35 176.45 2crq s ARG 52 N -0.08 2.60 -0.11 1.68 0.52 -1.03 -0.88 118.95 121.66 2crq s ARG 52 Ca 0.02 -1.46 -0.10 0.00 -0.52 0.00 0.00 55.73 53.67 2crq s ARG 52 Cb -0.13 -2.56 -0.05 0.00 0.52 0.00 0.00 34.95 32.73 2crq s ARG 52 CO 0.02 -0.36 0.22 1.03 0.02 0.00 0.00 175.30 176.24 2crq s ARG 53 N -4.32 3.78 0.50 3.54 0.52 -1.26 -4.97 118.95 116.74 2crq s ARG 53 Ca 0.52 0.01 0.26 0.00 -0.52 0.00 0.00 55.73 56.00 2crq s ARG 53 Cb -0.06 -3.27 1.34 0.00 0.52 0.00 0.00 34.95 33.48 2crq s ARG 53 CO 0.31 0.61 1.90 1.57 0.02 0.00 0.00 175.30 179.71 2crq h LYS 54 N 5.42 0.13 -0.29 3.54 2.10 -1.99 0.28 116.57 125.77 2crq h LYS 54 Ca -0.50 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2crq h LYS 54 Cb 1.21 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2crq h LYS 54 CO 0.64 0.09 0.00 -3.47 -2.00 0.00 0.00 179.45 174.71 2crq n ASP 55 N -4.37 2.95 -4.01 7.07 -0.08 -1.26 -5.05 116.55 111.80 2crq n ASP 55 Ca 0.17 -2.18 -0.46 0.00 -1.51 0.00 0.00 54.79 50.82 2crq n ASP 55 Cb 0.81 -0.26 -0.04 0.00 2.34 0.00 0.00 41.12 43.98 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 0.20 -2.85 -0.45 -1.67 0.00 0.99 -4.82 120.51 111.91 2crq n ALA 56 Ca 0.12 0.43 0.01 0.00 0.00 0.00 0.00 53.44 54.00 2crq n ALA 56 Cb 0.48 -1.49 0.27 0.00 0.00 0.00 0.00 19.45 18.71 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 1.01 3.57 -4.38 0.00 0.00 -1.26 -4.91 120.64 114.66 2crq n GLU 57 Ca 0.17 -2.32 -0.19 0.00 0.00 0.00 0.00 57.16 54.82 2crq n GLU 57 Cb 0.19 -2.04 -0.10 0.00 0.00 0.00 0.00 31.44 29.49 2crq n GLU 57 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2crq s GLN 58 N -2.33 1.48 0.24 3.44 -1.52 -1.26 -5.16 119.66 114.55 2crq s GLN 58 Ca 0.41 -1.78 0.00 0.00 -1.95 0.00 0.00 55.36 52.04 2crq s GLN 58 Cb 0.32 -0.76 -0.04 0.00 -0.22 0.00 0.00 33.01 32.31 2crq s GLN 58 CO 0.11 -0.12 0.42 0.45 -0.25 0.00 0.00 175.29 175.90 2crq s SER 59 N -3.39 6.36 0.57 5.90 0.15 -1.26 -4.95 113.70 117.08 2crq s SER 59 Ca 0.32 0.38 0.43 0.00 0.70 0.00 0.00 55.95 57.78 2crq s SER 59 Cb 0.07 -2.00 1.54 0.00 -1.71 0.00 0.00 66.02 63.92 2crq s SER 59 CO 0.12 -0.10 1.56 -0.33 1.20 0.00 0.00 173.24 175.69 2crq h GLU 60 N 1.64 0.00 -0.42 5.44 3.07 -1.99 0.19 114.58 122.51 2crq h GLU 60 Ca -0.49 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.46 2crq h GLU 60 Cb 1.20 0.00 -0.09 0.00 -0.84 0.00 0.00 28.75 29.02 2crq h GLU 60 CO 0.66 0.00 -0.22 0.93 -1.40 0.00 0.00 179.01 178.98 2crq h GLU 61 N 0.00 -0.13 -1.16 2.33 4.39 -1.99 0.13 114.58 118.14 2crq h GLU 61 Ca 0.77 0.01 0.34 0.00 0.34 0.00 0.00 59.36 60.83 2crq h GLU 61 Cb 3.31 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 31.89 2crq h GLU 61 CO -0.01 -0.09 0.75 1.05 -1.16 0.00 0.00 179.01 179.55 2crq h GLU 62 N -0.14 0.24 0.00 2.33 4.11 -0.99 1.29 114.58 121.42 2crq h GLU 62 Ca 0.20 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.48 2crq h GLU 62 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2crq h GLU 62 CO -0.51 0.16 -0.66 1.15 0.07 0.00 0.00 179.01 179.23 2crq h THR 63 N 0.25 1.24 0.01 -1.06 2.02 -0.91 -3.23 112.91 111.21 2crq h THR 63 Ca 0.70 -2.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.43 2crq h THR 63 Cb 2.00 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 70.82 2crq h THR 63 CO -0.36 0.64 -0.00 -0.33 0.37 0.00 0.00 175.52 175.84 2crq h GLU 64 N 0.00 -0.01 -0.91 6.66 5.08 0.22 -3.35 114.58 122.27 2crq h GLU 64 Ca -0.01 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 2crq h GLU 64 Cb 1.36 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.45 2crq h GLU 64 CO 0.09 0.46 0.10 1.05 -1.00 0.00 0.00 179.01 179.71 2crq h GLU 65 N -1.00 0.09 -0.53 2.33 4.11 -0.63 0.25 114.58 119.20 2crq h GLU 65 Ca -0.00 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2crq h GLU 65 Cb 0.48 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.61 2crq h GLU 65 CO 0.00 0.06 -0.42 0.82 0.07 0.00 0.00 179.01 179.53 2crq h ILE 66 N 0.09 0.10 -0.91 -1.06 2.04 -1.68 0.15 117.51 116.23 2crq h ILE 66 Ca 0.55 0.00 0.34 0.00 1.00 0.00 0.00 64.86 66.76 2crq h ILE 66 Cb 1.12 0.10 -0.12 0.00 -0.74 0.00 0.00 36.82 37.19 2crq h ILE 66 CO -0.78 0.00 0.55 0.49 0.00 0.00 0.00 178.15 178.41 2crq n PHE 67 N -5.41 0.69 -0.02 1.37 3.72 0.08 0.23 117.46 118.12 2crq n PHE 67 Ca 0.01 0.70 -0.16 0.00 -0.05 0.00 0.00 57.45 57.95 2crq n PHE 67 Cb 0.35 -1.11 -0.10 0.00 -0.94 0.00 0.00 39.48 37.68 2crq n PHE 67 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2crq h ASN 68 N 0.00 0.47 -0.53 4.37 2.35 -0.80 -2.75 115.58 118.69 2crq h ASN 68 Ca 0.66 -0.70 0.15 0.00 -0.55 0.00 0.00 56.30 55.86 2crq h ASN 68 Cb 1.94 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 40.15 2crq h ASN 68 CO -0.46 1.09 0.56 1.56 -1.65 0.00 0.00 177.43 178.54 2crq h GLN 69 N -0.12 0.00 0.00 0.81 4.20 0.32 0.33 115.11 120.64 2crq h GLN 69 Ca -0.04 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 2crq h GLN 69 Cb 1.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 2crq h GLN 69 CO 0.09 0.00 -0.71 0.82 -0.67 0.00 0.00 178.83 178.35 2crq h ILE 70 N 0.00 1.15 0.00 2.54 2.04 -1.37 -3.34 117.51 118.52 2crq h ILE 70 Ca 0.25 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.98 2crq h ILE 70 Cb 1.37 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 2crq h ILE 70 CO -0.00 0.39 0.00 0.25 0.00 0.00 0.00 178.15 178.79 2crq h LEU 71 N -1.00 0.00 -0.63 1.44 5.85 -0.96 -1.44 115.31 118.58 2crq h LEU 71 Ca -0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2crq h LEU 71 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 2crq h LEU 71 CO -0.12 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 177.98 2crq n GLN 72 N -2.67 0.16 0.01 1.25 6.02 0.10 -1.25 117.38 121.00 2crq n GLN 72 Ca -0.01 0.41 0.05 0.00 -0.01 0.00 0.00 57.00 57.44 2crq n GLN 72 Cb 0.14 -1.82 -0.12 0.00 1.02 0.00 0.00 30.24 29.47 2crq n GLN 72 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2crq n THR 73 N -2.13 0.63 -2.45 5.09 -2.24 -0.54 -4.41 114.28 108.23 2crq n THR 73 Ca 0.02 -0.62 -0.16 0.00 -2.27 0.00 0.00 64.05 61.02 2crq n THR 73 Cb 0.21 -0.31 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.57 2.66 0.00 -0.78 0.00 -0.94 -4.83 117.12 110.66 2crq n MET 74 Ca -0.10 -3.92 0.07 0.00 0.00 0.00 0.00 57.70 53.75 2crq n MET 74 Cb 0.73 -1.92 0.33 0.00 0.00 0.00 0.00 33.22 32.36 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 -0.51 0.07 0.00 3.17 -0.04 -0.38 0.82 135.00 138.12 2crq n PRO 75 Ca 0.27 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2crq n PRO 75 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.70 0.00 3.54 5.75 -1.26 -4.71 116.55 119.14 2crq n ASP 76 Ca 0.05 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2crq n ASP 76 Cb 0.15 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.07 0.00 -3.96 2.12 3.06 -1.00 -4.61 119.36 114.89 2crq n ILE 77 Ca 0.00 -0.08 -0.08 0.00 -2.50 0.00 0.00 62.75 60.09 2crq n ILE 77 Cb 0.05 0.52 -0.08 0.00 0.54 0.00 0.00 39.64 40.66 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 -1.46 0.10 0.26 1.51 0.00 0.24 -3.44 121.76 118.97 2crq s ALA 78 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2crq s ALA 78 Cb 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.52 2crq s ALA 78 CO 0.00 -0.45 0.41 -0.08 0.00 0.00 0.00 175.76 175.64 2crq s THR 79 N -3.89 0.00 -0.54 0.00 -1.32 0.14 -4.26 115.64 105.76 2crq s THR 79 Ca 0.06 -1.57 -0.27 0.00 -1.21 0.00 0.00 61.69 58.70 2crq s THR 79 Cb 0.06 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.66 2crq s THR 79 CO -0.10 0.00 1.80 -0.36 -2.21 0.00 0.00 174.62 173.74 2crq s PHE 80 N -3.80 1.76 -0.10 9.09 0.08 -1.26 -2.08 117.98 121.67 2crq s PHE 80 Ca 0.28 0.72 -0.09 0.00 0.12 0.00 0.00 56.93 57.96 2crq s PHE 80 Cb 0.01 -4.13 -0.07 0.00 -0.57 0.00 0.00 43.02 38.26 2crq s PHE 80 CO 0.12 -2.40 0.28 1.03 -0.10 0.00 0.00 175.22 174.15 2crq h SER 81 N 14.09 -0.05 -3.73 1.36 0.87 -1.57 -3.44 113.55 121.08 2crq h SER 81 Ca -0.28 -0.24 -0.66 0.00 -1.23 0.00 0.00 61.79 59.39 2crq h SER 81 Cb 1.16 0.01 -0.40 0.00 -0.44 0.00 0.00 62.40 62.73 2crq h SER 81 CO 1.17 0.55 -0.71 -0.44 -0.53 0.00 0.00 176.83 176.87 2crq s SER 82 N -5.63 4.70 0.11 6.23 0.01 -1.00 -4.94 113.70 113.17 2crq s SER 82 Ca -0.06 -2.21 -0.21 0.00 1.31 0.00 0.00 55.95 54.78 2crq s SER 82 Cb -0.01 -1.60 -0.12 0.00 0.21 0.00 0.00 66.02 64.50 2crq s SER 82 CO 0.20 -0.37 0.45 0.54 0.41 0.00 0.00 173.24 174.48 2crq n ARG 83 N 4.18 0.00 -2.19 12.44 3.00 -1.26 -3.07 116.66 129.75 2crq n ARG 83 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.46 2crq n ARG 83 Cb 0.41 -0.78 -0.03 0.00 0.00 0.00 0.00 32.46 32.06 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2crq s PRO 84 N -0.54 4.30 0.35 5.56 0.04 -1.26 -4.75 135.00 138.71 2crq s PRO 84 Ca 0.49 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.65 2crq s PRO 84 Cb -0.70 -3.41 -0.06 0.00 0.04 0.00 0.00 34.50 30.37 2crq s PRO 84 CO 0.39 -0.50 -0.02 -1.59 0.04 0.00 0.00 177.00 175.32 2crq s LYS 85 N 1.72 1.98 -0.50 4.56 0.00 -1.19 -4.93 119.74 121.39 2crq s LYS 85 Ca 0.64 -1.83 -0.22 0.00 0.00 0.00 0.00 55.97 54.56 2crq s LYS 85 Cb -0.34 -1.84 0.04 0.00 0.00 0.00 0.00 37.83 35.69 2crq s LYS 85 CO 0.29 0.12 0.77 0.00 0.00 0.00 0.00 175.35 176.53 2crq s ALA 86 N -2.56 3.28 0.35 0.59 0.00 -1.26 -2.95 121.76 119.21 2crq s ALA 86 Ca 0.34 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.03 2crq s ALA 86 Cb 0.01 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 2crq s ALA 86 CO 0.18 -2.10 0.32 0.96 0.00 0.00 0.00 175.76 175.12 2crq s ILE 87 N 3.26 3.38 -1.41 0.00 -4.36 0.08 -4.06 121.20 118.10 2crq s ILE 87 Ca 0.25 -1.35 -0.05 0.00 -0.26 0.00 0.00 60.65 59.24 2crq s ILE 87 Cb -0.15 -3.15 0.02 0.00 1.25 0.00 0.00 42.46 40.43 2crq s ILE 87 CO 0.18 -0.14 0.38 0.54 0.24 0.00 0.00 174.94 176.13 2crq n ARG 88 N -1.42 -3.52 -0.69 0.37 1.74 -1.26 -0.28 116.66 111.59 2crq n ARG 88 Ca -0.01 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2crq n ARG 88 Cb 0.60 -5.47 0.00 0.00 -1.02 0.00 0.00 32.46 26.57 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 -1.21 0.63 0.82 -0.13 0.00 -1.26 -3.69 105.19 100.35 2crq n GLY 89 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 3.33 0.35 -0.02 0.00 0.61 -4.88 105.19 101.89 2crq n GLY 90 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2crq n GLY 90 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2crq h THR 91 N 0.00 0.15 -4.04 2.61 2.02 -1.62 -3.42 112.91 108.61 2crq h THR 91 Ca 0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 2crq h THR 91 Cb 0.00 0.69 -0.15 0.00 -1.74 0.00 0.00 68.15 66.95 2crq h THR 91 CO 0.00 0.00 -0.67 0.00 0.37 0.00 0.00 175.52 175.22 2crq s ALA 92 N -4.30 0.96 0.19 6.16 0.00 -1.06 -2.46 121.76 121.25 2crq s ALA 92 Ca -0.04 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.58 2crq s ALA 92 Cb 0.11 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2crq s ALA 92 CO 0.38 -0.35 -0.15 -1.54 0.00 0.00 0.00 175.76 174.10 2crq s SER 93 N -3.06 2.53 -0.11 0.00 1.04 -1.02 -0.74 113.70 112.34 2crq s SER 93 Ca 0.17 -0.96 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 2crq s SER 93 Cb 0.07 -0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.11 2crq s SER 93 CO -0.02 -0.14 0.19 -0.32 0.98 0.00 0.00 173.24 173.93 2crq s MET 94 N -3.35 0.07 0.01 4.02 1.75 -1.15 -2.58 119.30 118.07 2crq s MET 94 Ca 0.19 0.56 -0.02 0.00 -1.25 0.00 0.00 55.69 55.17 2crq s MET 94 Cb -0.02 -0.34 -0.01 0.00 2.84 0.00 0.00 34.83 37.30 2crq s MET 94 CO 0.06 -0.34 0.03 0.00 -0.65 0.00 0.00 175.02 174.12 2crq s VAL 96 N -1.22 3.85 0.03 0.00 1.01 -1.17 -1.70 120.40 121.20 2crq s VAL 96 Ca -0.13 -1.18 0.07 0.00 0.00 0.00 0.00 61.98 60.74 2crq s VAL 96 Cb -0.08 -2.87 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 2crq s VAL 96 CO -0.00 0.03 -0.19 -0.36 0.00 0.00 0.00 175.10 174.58 2crq s PHE 97 N -1.46 2.54 0.16 5.22 0.40 -1.18 -1.48 117.98 122.18 2crq s PHE 97 Ca 0.26 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 2crq s PHE 97 Cb -0.11 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 2crq s PHE 97 CO 0.18 0.22 0.02 -0.98 0.70 0.00 0.00 175.22 175.36 2crq s ARG 98 N -1.31 1.06 0.37 0.44 1.70 -0.89 -4.18 118.95 116.15 2crq s ARG 98 Ca 0.14 -1.51 -0.21 0.00 -0.47 0.00 0.00 55.73 53.68 2crq s ARG 98 Cb -0.10 -0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.06 2crq s ARG 98 CO 0.04 -0.17 0.89 -1.58 -1.08 0.00 0.00 175.30 173.40 2crq s HIS 99 N -3.78 3.42 -0.26 5.89 5.65 -1.26 0.25 115.29 125.21 2crq s HIS 99 Ca 0.24 1.56 -0.29 0.00 0.25 0.00 0.00 55.06 56.82 2crq s HIS 99 Cb 0.07 -2.79 -0.03 0.00 -1.18 0.00 0.00 32.58 28.65 2crq s HIS 99 CO 0.03 0.02 1.74 -0.51 -0.65 0.00 0.00 174.74 175.37 2crq s LEU 100 N -2.83 3.72 -0.55 8.88 1.43 -1.22 -4.77 118.68 123.33 2crq s LEU 100 Ca 0.57 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.20 2crq s LEU 100 Cb -0.12 -3.53 0.54 0.00 0.03 0.00 0.00 46.19 43.11 2crq s LEU 100 CO 0.17 -1.48 1.97 -1.54 0.23 0.00 0.00 176.35 175.69 2crq n SER 101 N 9.37 5.78 -3.35 2.29 3.41 -1.26 -4.93 113.62 124.93 2crq n SER 101 Ca 0.21 -3.66 -0.20 0.00 -0.26 0.00 0.00 58.87 54.96 2crq n SER 101 Cb 0.46 -0.91 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 2crq n SER 101 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2crq s LYS 102 N -3.47 1.81 -1.02 4.33 1.02 -1.26 -5.04 119.74 116.11 2crq s LYS 102 Ca 0.59 -2.06 -0.08 0.00 0.02 0.00 0.00 55.97 54.44 2crq s LYS 102 Cb 0.48 0.26 -0.14 0.00 -0.52 0.00 0.00 37.83 37.92 2crq s LYS 102 CO 0.05 -0.66 3.02 1.17 -0.92 0.00 0.00 175.35 178.00 2crq n LYS 103 N -0.67 2.93 -3.66 1.68 4.81 -1.26 -4.65 118.16 117.33 2crq n LYS 103 Ca 0.07 -1.70 -0.27 0.00 -0.87 0.00 0.00 58.31 55.53 2crq n LYS 103 Cb 0.62 -2.49 -0.11 0.00 0.02 0.00 0.00 35.03 33.07 2crq n LYS 103 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2crq n GLU 104 N 3.31 1.28 -3.86 1.64 -0.58 -1.26 -5.08 120.64 116.10 2crq n GLU 104 Ca 0.62 -4.01 -0.12 0.00 -0.42 0.00 0.00 57.16 53.24 2crq n GLU 104 Cb 0.42 -2.03 -0.11 0.00 -0.57 0.00 0.00 31.44 29.15 2crq n GLU 104 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2crq s GLU 105 N -1.02 0.34 -0.45 3.49 0.41 -1.26 -4.73 118.70 115.47 2crq s GLU 105 Ca 0.29 -0.15 -0.24 0.00 -0.41 0.00 0.00 54.97 54.47 2crq s GLU 105 Cb 0.01 0.15 0.03 0.00 -1.78 0.00 0.00 34.13 32.53 2crq s GLU 105 CO -0.17 -0.07 0.83 0.21 -0.49 0.00 0.00 175.26 175.57 2crq s LYS 106 N -0.75 3.44 -1.42 1.61 2.20 -1.26 -4.17 119.74 119.39 2crq s LYS 106 Ca -0.08 -0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 55.36 2crq s LYS 106 Cb -0.05 -3.94 0.12 0.00 -1.51 0.00 0.00 37.83 32.46 2crq s LYS 106 CO 0.01 -1.15 0.58 0.43 -0.36 0.00 0.00 175.35 174.86 2crq n SER 107 N 6.86 -3.08 0.00 1.43 7.64 -1.26 -4.92 113.62 120.29 2crq n SER 107 Ca 0.03 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.24 2crq n SER 107 Cb 0.48 -2.57 0.00 0.00 -1.01 0.00 0.00 64.21 61.12 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 -1.18 3.98 3.73 0.23 0.00 -1.26 -5.08 105.19 105.61 2crq n GLY 108 Ca 0.04 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 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 2.42 4.38 -0.17 1.61 0.04 -1.26 -5.03 135.00 136.99 2crq s PRO 109 Ca 0.00 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2crq s PRO 109 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.34 2crq s PRO 109 CO 0.00 -0.29 -0.20 0.45 0.04 0.00 0.00 177.00 177.00 2crq s SER 110 N 0.54 3.17 0.10 6.66 0.15 -1.26 -4.90 113.70 118.16 2crq s SER 110 Ca 0.58 -0.63 -0.20 0.00 0.70 0.00 0.00 55.95 56.41 2crq s SER 110 Cb -0.36 -1.48 -0.08 0.00 -1.71 0.00 0.00 66.02 62.39 2crq s SER 110 CO 0.36 0.02 1.66 0.28 1.20 0.00 0.00 173.24 176.76 2crq h SER 111 N 7.76 0.29 0.00 5.45 0.02 -1.96 -3.54 113.55 121.57 2crq h SER 111 Ca -0.42 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 2crq h SER 111 Cb 1.16 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2crq h SER 111 CO 0.61 0.35 0.00 0.61 -1.14 0.00 0.00 176.83 177.26