#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 0.52 -4.34 1.61 7.64 -1.26 -4.96 113.62 112.83 2crq n SER 2 Ca 0.00 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.74 2crq n SER 2 Cb 0.00 -1.04 -0.14 0.00 -1.01 0.00 0.00 64.21 62.02 2crq n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crq s SER 3 N 0.05 3.08 0.00 6.43 0.15 -1.26 -5.03 113.70 117.11 2crq s SER 3 Ca 0.84 -0.63 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2crq s SER 3 Cb -1.10 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 2crq s SER 3 CO 0.53 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.80 2crq n GLY 4 N 1.50 0.43 1.12 9.45 0.00 -1.26 -4.82 105.19 111.61 2crq n GLY 4 Ca -0.17 -1.19 0.05 0.00 0.00 0.00 0.00 46.02 44.70 2crq n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crq n SER 5 N 0.00 1.25 -4.51 1.61 7.64 -1.26 -5.04 113.62 113.30 2crq n SER 5 Ca 0.00 -2.71 -0.25 0.00 1.01 0.00 0.00 58.87 56.93 2crq n SER 5 Cb 0.00 -0.38 -0.18 0.00 -1.01 0.00 0.00 64.21 62.64 2crq n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2crq n SER 6 N -0.14 -0.38 -2.83 6.43 3.41 -1.26 -4.69 113.62 114.17 2crq n SER 6 Ca 0.11 -0.58 -0.01 0.00 -0.26 0.00 0.00 58.87 58.12 2crq n SER 6 Cb 0.96 -0.86 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2crq n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2crq s GLY 7 N 4.20 -1.54 0.00 5.00 0.00 -1.26 -5.00 107.32 108.72 2crq s GLY 7 Ca 1.24 0.56 0.11 0.00 0.00 0.00 0.00 44.72 46.64 2crq s GLY 7 CO 0.45 4.06 1.11 -1.55 0.00 0.00 0.00 173.10 177.18 2crq n PRO 8 N 3.40 0.49 -1.10 2.90 -0.04 -1.26 -4.88 135.00 134.50 2crq n PRO 8 Ca 0.11 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 2crq n PRO 8 Cb 0.61 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 2crq n PRO 8 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2crq n LYS 9 N -0.86 0.00 -3.56 0.54 2.85 -1.26 -4.98 118.16 110.89 2crq n LYS 9 Ca 0.09 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.24 2crq n LYS 9 Cb 0.04 -0.83 -0.04 0.00 -0.65 0.00 0.00 35.03 33.54 2crq n LYS 9 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2crq s THR 10 N -1.23 0.00 0.00 0.58 -1.32 -1.26 -5.12 115.64 107.30 2crq s THR 10 Ca 0.50 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2crq s THR 10 Cb -0.60 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.39 2crq s THR 10 CO 0.51 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.53 2crq n GLY 11 N 0.48 3.54 0.00 6.08 0.00 -1.26 -5.17 105.19 108.86 2crq n GLY 11 Ca -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.94 -0.64 -1.38 1.61 -0.04 -1.26 -4.90 135.00 127.45 2crq n PRO 12 Ca 0.00 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 62.99 2crq n PRO 12 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2crq n PRO 12 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2crq n THR 13 N -2.13 1.79 -3.56 0.52 -1.04 -1.26 -4.97 114.28 103.62 2crq n THR 13 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 2crq n THR 13 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2crq n THR 13 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2crq s MET 14 N -1.00 0.23 -0.05 -2.82 0.00 -1.26 -5.16 119.30 109.24 2crq s MET 14 Ca 0.63 0.44 -0.01 0.00 0.00 0.00 0.00 55.69 56.75 2crq s MET 14 Cb -0.88 0.11 0.03 0.00 0.00 0.00 0.00 34.83 34.09 2crq s MET 14 CO 0.57 -0.06 0.02 0.99 0.00 0.00 0.00 175.02 176.54 2crq s THR 15 N 1.50 0.21 0.79 10.11 2.01 -1.26 -3.50 115.64 125.50 2crq s THR 15 Ca -0.07 0.19 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 2crq s THR 15 Cb -0.03 -0.38 0.15 0.00 0.01 0.00 0.00 72.50 72.24 2crq s THR 15 CO -0.14 0.22 1.09 -0.54 -0.69 0.00 0.00 174.62 174.56 2crq s LYS 16 N 1.84 1.36 0.02 4.92 -0.14 0.20 -4.98 119.74 122.95 2crq s LYS 16 Ca 0.02 -0.97 -0.09 0.00 -1.36 0.00 0.00 55.97 53.57 2crq s LYS 16 Cb -0.12 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2crq s LYS 16 CO -0.04 -1.74 0.18 -1.21 -0.76 0.00 0.00 175.35 171.79 2crq s GLU 17 N -5.35 0.61 -0.26 1.68 2.02 -1.26 -2.45 118.70 113.68 2crq s GLU 17 Ca 0.69 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 55.08 2crq s GLU 17 Cb -0.05 0.25 0.11 0.00 0.10 0.00 0.00 34.13 34.55 2crq s GLU 17 CO 0.47 -0.16 0.58 -1.17 0.02 0.00 0.00 175.26 174.99 2crq s LEU 18 N -1.75 -0.95 -0.06 1.80 2.96 0.21 -4.84 118.68 116.04 2crq s LEU 18 Ca -0.10 1.38 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 2crq s LEU 18 Cb -0.04 2.01 0.04 0.00 0.50 0.00 0.00 46.19 48.70 2crq s LEU 18 CO -0.01 -0.22 0.12 0.54 -1.32 0.00 0.00 176.35 175.46 2crq s VAL 19 N 2.67 -0.16 0.31 1.68 0.11 -1.26 0.43 120.40 124.18 2crq s VAL 19 Ca -0.05 0.32 0.03 0.00 -2.93 0.00 0.00 61.98 59.35 2crq s VAL 19 Cb -0.11 -0.23 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 2crq s VAL 19 CO -0.17 0.13 0.16 0.72 -3.33 0.00 0.00 175.10 172.61 2crq s PHE 20 N 1.89 1.61 0.10 1.54 -0.71 -0.94 -4.97 117.98 116.50 2crq s PHE 20 Ca -0.00 -1.36 -0.25 0.00 -1.04 0.00 0.00 56.93 54.27 2crq s PHE 20 Cb -0.12 -0.87 -0.07 0.00 -1.21 0.00 0.00 43.02 40.75 2crq s PHE 20 CO -0.05 -0.51 0.78 -1.54 -1.34 0.00 0.00 175.22 172.56 2crq s SER 21 N -3.38 7.30 0.46 1.98 1.04 -1.26 -2.63 113.70 117.22 2crq s SER 21 Ca 0.35 1.55 0.22 0.00 0.48 0.00 0.00 55.95 58.56 2crq s SER 21 Cb 0.05 -2.49 1.23 0.00 0.10 0.00 0.00 66.02 64.91 2crq s SER 21 CO 0.17 0.11 1.88 -1.28 0.98 0.00 0.00 173.24 175.10 2crq h SER 22 N 5.02 0.25 -1.22 7.02 0.87 -1.83 0.26 113.55 123.92 2crq h SER 22 Ca -0.45 0.03 0.35 0.00 -1.23 0.00 0.00 61.79 60.48 2crq h SER 22 Cb 1.21 -0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 2crq h SER 22 CO 0.69 0.10 0.85 -1.13 -0.53 0.00 0.00 176.83 176.81 2crq h ASN 23 N 0.25 0.12 -0.69 6.23 -0.73 -1.92 -3.42 115.58 115.42 2crq h ASN 23 Ca 0.43 0.03 -0.74 0.00 1.87 0.00 0.00 56.30 57.89 2crq h ASN 23 Cb 1.29 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2crq h ASN 23 CO -0.11 0.00 0.70 0.00 -0.37 0.00 0.00 177.43 177.66 2crq n ILE 24 N -4.30 0.00 -0.39 2.57 3.06 0.08 -4.91 119.36 115.47 2crq n ILE 24 Ca 0.28 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.53 2crq n ILE 24 Cb 1.24 -0.43 0.00 0.00 0.54 0.00 0.00 39.64 40.98 2crq n ILE 24 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2crq n GLY 25 N 4.05 -1.87 0.13 4.50 0.00 -1.26 -4.77 105.19 105.96 2crq n GLY 25 Ca 0.31 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 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 0.38 -0.50 1.61 5.75 -1.98 -2.33 115.11 118.04 2crq h GLN 26 Ca 0.00 -0.61 0.04 0.00 -0.15 0.00 0.00 58.65 57.93 2crq h GLN 26 Cb 0.00 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 2crq h GLN 26 CO 0.00 1.28 0.26 1.25 -2.65 0.00 0.00 178.83 178.97 2crq h HIS 27 N -0.21 0.47 -0.14 3.99 2.76 -2.00 -0.06 115.15 119.96 2crq h HIS 27 Ca -0.16 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 57.96 2crq h HIS 27 Cb 1.74 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 30.56 2crq h HIS 27 CO 0.18 0.24 -0.16 -0.44 -1.30 0.00 0.00 177.93 176.44 2crq h ASP 28 N 0.50 0.39 -0.46 3.26 3.32 -1.94 -3.08 116.42 118.41 2crq h ASP 28 Ca 0.22 -0.49 0.09 0.00 0.02 0.00 0.00 57.03 56.86 2crq h ASP 28 Cb 0.12 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2crq h ASP 28 CO -0.15 0.80 0.32 0.25 -1.72 0.00 0.00 179.24 178.74 2crq h LEU 29 N -0.02 0.23 -1.01 1.55 5.85 -1.14 -1.44 115.31 119.33 2crq h LEU 29 Ca 0.02 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.94 2crq h LEU 29 Cb 0.70 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2crq h LEU 29 CO 0.04 0.14 0.61 -0.78 -0.34 0.00 0.00 178.44 178.12 2crq h ASP 30 N 0.26 0.78 0.05 1.25 1.82 -0.91 -1.63 116.42 118.05 2crq h ASP 30 Ca 0.21 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.95 2crq h ASP 30 Cb 0.50 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.47 2crq h ASP 30 CO -0.04 0.27 -0.03 0.74 -1.61 0.00 0.00 179.24 178.57 2crq h THR 31 N 0.76 1.27 -0.84 2.25 2.02 -1.39 -3.02 112.91 113.96 2crq h THR 31 Ca 0.58 -1.51 0.20 0.00 0.77 0.00 0.00 66.41 66.45 2crq h THR 31 Cb 0.91 2.21 -0.15 0.00 -1.74 0.00 0.00 68.15 69.38 2crq h THR 31 CO -0.39 0.36 -0.06 0.11 0.37 0.00 0.00 175.52 175.91 2crq h LYS 32 N -0.79 0.05 0.22 6.66 1.79 -1.29 0.39 116.57 123.59 2crq h LYS 32 Ca -0.01 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2crq h LYS 32 Cb 0.64 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2crq h LYS 32 CO 0.01 0.03 -0.11 0.77 -1.08 0.00 0.00 179.45 179.08 2crq h SER 33 N 0.05 -0.26 -0.56 0.86 0.02 -1.40 -2.79 113.55 109.47 2crq h SER 33 Ca 0.46 -0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.48 2crq h SER 33 Cb 0.81 0.07 -0.11 0.00 0.14 0.00 0.00 62.40 63.31 2crq h SER 33 CO -0.79 -0.13 -0.15 0.11 -1.14 0.00 0.00 176.83 174.73 2crq h LYS 34 N -0.36 -0.01 -0.48 3.45 1.57 -0.85 -0.52 116.57 119.37 2crq h LYS 34 Ca -0.03 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2crq h LYS 34 Cb 0.28 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.51 2crq h LYS 34 CO 0.05 -0.01 -0.04 0.37 -0.57 0.00 0.00 179.45 179.25 2crq h GLN 35 N -0.01 0.07 -0.12 3.15 5.75 -1.02 -1.92 115.11 121.00 2crq h GLN 35 Ca 0.27 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.78 2crq h GLN 35 Cb 0.42 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2crq h GLN 35 CO -0.58 0.04 0.00 0.82 -2.65 0.00 0.00 178.83 176.46 2crq h ILE 36 N 0.07 0.92 -0.92 2.39 2.04 -0.88 -2.68 117.51 118.46 2crq h ILE 36 Ca 0.24 -0.01 0.20 0.00 1.00 0.00 0.00 64.86 66.28 2crq h ILE 36 Cb 0.36 0.87 -0.17 0.00 -0.74 0.00 0.00 36.82 37.14 2crq h ILE 36 CO -0.43 0.01 -0.17 -0.61 0.00 0.00 0.00 178.15 176.95 2crq h GLN 37 N 0.04 0.01 -0.34 2.37 4.15 -0.43 0.40 115.11 121.31 2crq h GLN 37 Ca 0.06 -0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.52 2crq h GLN 37 Cb 0.07 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 2crq h GLN 37 CO -0.09 0.01 0.08 1.96 -1.93 0.00 0.00 178.83 178.85 2crq h GLN 38 N 0.01 0.20 -0.15 1.69 4.20 -1.27 -1.96 115.11 117.82 2crq h GLN 38 Ca 0.47 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 59.17 2crq h GLN 38 Cb 0.77 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2crq h GLN 38 CO -0.92 0.13 0.08 -1.49 -0.67 0.00 0.00 178.83 175.96 2crq h TRP 39 N 0.20 0.15 -0.58 2.96 6.55 -0.22 -2.75 115.95 122.25 2crq h TRP 39 Ca 0.16 0.01 0.11 0.00 0.95 0.00 0.00 58.89 60.12 2crq h TRP 39 Cb 0.17 -0.04 -0.09 0.00 -0.86 0.00 0.00 29.16 28.34 2crq h TRP 39 CO -0.17 0.09 0.08 0.82 -1.05 0.00 0.00 178.44 178.20 2crq h ILE 40 N 0.17 0.61 -0.93 1.49 1.08 -0.59 -0.34 117.51 119.00 2crq h ILE 40 Ca 0.06 -0.07 0.22 0.00 -0.39 0.00 0.00 64.86 64.68 2crq h ILE 40 Cb 0.01 0.38 -0.12 0.00 -3.07 0.00 0.00 36.82 34.02 2crq h ILE 40 CO -0.04 0.04 0.46 -0.33 -0.69 0.00 0.00 178.15 177.59 2crq h GLU 41 N 0.20 0.46 -1.08 2.37 4.39 -1.06 0.54 114.58 120.40 2crq h GLU 41 Ca 0.30 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 2crq h GLU 41 Cb 0.46 -0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 2crq h GLU 41 CO -0.43 0.31 0.14 1.63 -1.16 0.00 0.00 179.01 179.50 2crq n LYS 42 N -4.98 1.27 -4.26 2.33 5.02 -0.16 -4.84 118.16 112.55 2crq n LYS 42 Ca 0.23 -0.63 -0.34 0.00 -2.02 0.00 0.00 58.31 55.55 2crq n LYS 42 Cb 0.67 -1.25 -0.07 0.00 -0.02 0.00 0.00 35.03 34.36 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 0.24 -0.78 -4.50 1.97 4.01 0.19 -4.92 118.16 114.37 2crq n LYS 43 Ca 0.13 0.08 -0.33 0.00 -0.51 0.00 0.00 58.31 57.67 2crq n LYS 43 Cb 0.73 -3.30 -0.14 0.00 -0.51 0.00 0.00 35.03 31.81 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 -4.20 2.89 -0.25 2.13 2.02 -1.09 -4.99 117.35 113.87 2crq s TYR 44 Ca 0.11 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 55.89 2crq s TYR 44 Cb -0.06 -1.92 -0.02 0.00 -0.40 0.00 0.00 41.96 39.55 2crq s TYR 44 CO 0.99 -0.24 1.64 -1.01 -1.57 0.00 0.00 175.55 175.36 2crq s HIS 45 N 0.58 2.06 -0.28 2.71 3.76 -1.23 -4.28 115.29 118.62 2crq s HIS 45 Ca -0.06 0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 55.34 2crq s HIS 45 Cb -0.15 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.49 2crq s HIS 45 CO 0.03 -2.90 0.09 0.08 -0.85 0.00 0.00 174.74 171.20 2crq s VAL 46 N 5.54 4.30 -0.27 -0.90 1.01 -1.25 0.61 120.40 129.44 2crq s VAL 46 Ca 0.73 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.18 2crq s VAL 46 Cb -0.24 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2crq s VAL 46 CO 0.30 0.20 0.41 -1.58 0.00 0.00 0.00 175.10 174.43 2crq s GLN 47 N 1.59 4.01 -0.10 2.72 0.74 -1.03 -2.81 119.66 124.78 2crq s GLN 47 Ca 0.05 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.50 2crq s GLN 47 Cb -0.16 -3.66 -0.04 0.00 1.10 0.00 0.00 33.01 30.25 2crq s GLN 47 CO 0.04 -0.31 0.10 0.08 -0.55 0.00 0.00 175.29 174.65 2crq s VAL 48 N 2.13 5.13 -0.05 1.34 1.01 0.54 0.64 120.40 131.14 2crq s VAL 48 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2crq s VAL 48 Cb -0.16 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2crq s VAL 48 CO 0.10 0.58 0.02 -0.89 0.00 0.00 0.00 175.10 174.91 2crq s THR 49 N -1.02 0.16 -0.31 3.92 2.01 0.17 -1.90 115.64 118.68 2crq s THR 49 Ca 0.16 0.23 -0.07 0.00 0.31 0.00 0.00 61.69 62.32 2crq s THR 49 Cb -0.12 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.05 2crq s THR 49 CO 0.05 0.21 0.10 -0.63 -0.69 0.00 0.00 174.62 173.66 2crq s ILE 50 N 1.91 4.04 -0.28 1.82 1.01 -1.00 -2.20 121.20 126.49 2crq s ILE 50 Ca 0.03 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.83 2crq s ILE 50 Cb -0.12 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 2crq s ILE 50 CO -0.04 0.03 0.21 -0.54 0.00 0.00 0.00 174.94 174.60 2crq s LYS 51 N 1.50 3.92 0.72 2.79 1.02 -1.08 -2.83 119.74 125.78 2crq s LYS 51 Ca 0.02 -0.31 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 2crq s LYS 51 Cb -0.18 -3.67 0.03 0.00 -0.52 0.00 0.00 37.83 33.49 2crq s LYS 51 CO 0.03 -0.21 1.10 1.03 -0.92 0.00 0.00 175.35 176.38 2crq s ARG 52 N 1.79 2.67 0.73 1.68 0.52 -1.19 -2.42 118.95 122.74 2crq s ARG 52 Ca 0.08 0.35 -0.11 0.00 -0.52 0.00 0.00 55.73 55.52 2crq s ARG 52 Cb -0.16 -2.03 0.03 0.00 0.52 0.00 0.00 34.95 33.31 2crq s ARG 52 CO 0.11 -1.13 1.10 1.03 0.02 0.00 0.00 175.30 176.43 2crq s ARG 53 N -5.38 2.63 0.00 3.54 0.52 -1.26 -4.95 118.95 114.06 2crq s ARG 53 Ca 0.59 0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 56.04 2crq s ARG 53 Cb -0.11 -1.99 -0.16 0.00 0.52 0.00 0.00 34.95 33.20 2crq s ARG 53 CO 0.51 -1.20 1.21 -0.22 0.02 0.00 0.00 175.30 175.61 2crq h LYS 54 N -0.78 -0.37 -0.92 3.54 3.64 -2.01 -3.25 116.57 116.42 2crq h LYS 54 Ca -0.45 0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.34 2crq h LYS 54 Cb 1.26 0.08 -0.30 0.00 -0.41 0.00 0.00 32.23 32.86 2crq h LYS 54 CO 0.63 -0.04 0.52 -3.47 -2.27 0.00 0.00 179.45 174.82 2crq n ASP 55 N -5.11 6.44 -4.47 4.20 2.03 -1.26 -5.02 116.55 113.36 2crq n ASP 55 Ca -0.09 -3.76 -0.30 0.00 0.52 0.00 0.00 54.79 51.15 2crq n ASP 55 Cb 0.26 -0.84 0.20 0.00 -0.72 0.00 0.00 41.12 40.02 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2crq n ALA 56 N -0.93 -2.68 -1.31 -1.67 0.00 -1.23 -4.97 120.51 107.73 2crq n ALA 56 Ca 0.58 -1.00 0.05 0.00 0.00 0.00 0.00 53.44 53.07 2crq n ALA 56 Cb 0.87 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 18.47 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 -3.79 0.89 -2.14 0.00 -0.00 -1.26 -5.06 120.64 109.28 2crq n GLU 57 Ca 0.05 -1.78 -0.12 0.00 -0.00 0.00 0.00 57.16 55.31 2crq n GLU 57 Cb 0.55 -1.03 0.05 0.00 -0.00 0.00 0.00 31.44 31.01 2crq n GLU 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2crq n GLN 58 N -0.74 0.65 -4.69 3.44 3.00 -1.26 -5.13 117.38 112.65 2crq n GLN 58 Ca 0.08 -1.87 -0.29 0.00 -0.01 0.00 0.00 57.00 54.90 2crq n GLN 58 Cb 0.62 -0.20 -0.14 0.00 0.00 0.00 0.00 30.24 30.52 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 -3.26 3.12 0.38 1.08 0.01 -1.26 -5.01 113.70 108.77 2crq s SER 59 Ca 0.38 -0.64 0.21 0.00 1.31 0.00 0.00 55.95 57.21 2crq s SER 59 Cb -0.03 -0.25 1.26 0.00 0.21 0.00 0.00 66.02 67.21 2crq s SER 59 CO 0.24 0.21 1.64 1.05 0.41 0.00 0.00 173.24 176.80 2crq h GLU 60 N 4.47 0.17 -0.54 12.44 4.11 -2.00 1.01 114.58 134.25 2crq h GLU 60 Ca -0.48 -0.01 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 2crq h GLU 60 Cb 1.15 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2crq h GLU 60 CO 0.42 0.11 -0.09 1.05 0.07 0.00 0.00 179.01 180.57 2crq h GLU 61 N 0.17 1.00 -0.70 1.06 4.11 -2.00 -3.00 114.58 115.22 2crq h GLU 61 Ca 0.78 -0.35 0.05 0.00 0.07 0.00 0.00 59.36 59.91 2crq h GLU 61 Cb 2.10 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 31.23 2crq h GLU 61 CO -0.56 1.03 0.41 0.93 0.07 0.00 0.00 179.01 180.89 2crq h GLU 62 N 0.89 0.73 0.00 1.06 4.39 0.67 0.80 114.58 123.13 2crq h GLU 62 Ca 0.14 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2crq h GLU 62 Cb 0.65 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2crq h GLU 62 CO 0.04 0.49 0.00 2.41 -1.16 0.00 0.00 179.01 180.79 2crq n THR 63 N -4.74 1.03 0.01 1.13 -1.04 -0.99 -2.06 114.28 107.62 2crq n THR 63 Ca 0.09 0.32 -0.09 0.00 -2.04 0.00 0.00 64.05 62.33 2crq n THR 63 Cb 0.16 -1.20 -0.13 0.00 -1.82 0.00 0.00 70.33 67.33 2crq n THR 63 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2crq h GLU 64 N 0.00 0.02 -0.97 -2.82 4.81 -0.77 -3.34 114.58 111.51 2crq h GLU 64 Ca 0.00 -0.03 0.18 0.00 -0.13 0.00 0.00 59.36 59.38 2crq h GLU 64 Cb 0.25 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.55 2crq h GLU 64 CO 0.00 0.72 0.61 0.93 -0.73 0.00 0.00 179.01 180.55 2crq h GLU 65 N 0.01 0.67 0.29 1.92 4.39 -1.04 -2.39 114.58 118.43 2crq h GLU 65 Ca -0.19 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2crq h GLU 65 Cb 1.93 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 30.39 2crq h GLU 65 CO 0.10 0.44 -0.47 0.82 -1.16 0.00 0.00 179.01 178.75 2crq h ILE 66 N 0.69 0.00 -0.97 3.13 2.04 -1.70 -1.35 117.51 119.35 2crq h ILE 66 Ca 0.53 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.74 2crq h ILE 66 Cb 0.92 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.89 2crq h ILE 66 CO -0.30 0.00 0.61 0.49 0.00 0.00 0.00 178.15 178.96 2crq n PHE 67 N -5.18 0.57 -0.00 1.37 3.72 -0.90 0.21 117.46 117.25 2crq n PHE 67 Ca -0.09 0.57 -0.17 0.00 -0.05 0.00 0.00 57.45 57.71 2crq n PHE 67 Cb 0.39 -0.98 -0.13 0.00 -0.94 0.00 0.00 39.48 37.83 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 0.31 -0.56 4.37 2.35 -1.34 -3.12 115.58 117.59 2crq h ASN 68 Ca 0.65 -0.87 0.16 0.00 -0.55 0.00 0.00 56.30 55.69 2crq h ASN 68 Cb 2.03 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 40.28 2crq h ASN 68 CO -0.38 1.15 0.56 1.56 -1.65 0.00 0.00 177.43 178.68 2crq h GLN 69 N -0.48 0.00 0.07 0.81 4.20 0.32 0.46 115.11 120.50 2crq h GLN 69 Ca -0.07 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.37 2crq h GLN 69 Cb 1.26 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 2crq h GLN 69 CO 0.09 0.00 -1.33 0.82 -0.67 0.00 0.00 178.83 177.73 2crq h ILE 70 N 0.00 1.36 0.00 2.54 2.04 -1.35 -3.30 117.51 118.80 2crq h ILE 70 Ca 0.27 -3.03 -0.04 0.00 1.00 0.00 0.00 64.86 63.06 2crq h ILE 70 Cb 1.39 2.79 -0.01 0.00 -0.74 0.00 0.00 36.82 40.25 2crq h ILE 70 CO -0.00 0.84 -0.26 0.25 0.00 0.00 0.00 178.15 178.98 2crq h LEU 71 N 0.04 0.00 -2.26 1.44 5.85 -0.20 -3.21 115.31 116.97 2crq h LEU 71 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 2crq h LEU 71 Cb 1.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.97 2crq h LEU 71 CO 0.15 0.19 0.00 1.56 -0.34 0.00 0.00 178.44 180.00 2crq h GLN 72 N 0.00 0.00 0.00 1.25 1.08 -0.63 0.29 115.11 117.10 2crq h GLN 72 Ca -0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 2crq h GLN 72 Cb 1.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2crq h GLN 72 CO 0.02 0.00 -1.63 0.25 -0.95 0.00 0.00 178.83 176.53 2crq n THR 73 N -2.81 0.70 -2.50 -0.54 -2.24 -1.21 -4.40 114.28 101.29 2crq n THR 73 Ca -0.02 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 61.00 2crq n THR 73 Cb 0.10 -0.37 0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.62 2.48 0.11 -0.78 0.00 -0.33 -4.84 117.12 111.13 2crq n MET 74 Ca -0.09 -3.85 0.11 0.00 0.00 0.00 0.00 57.70 53.88 2crq n MET 74 Cb 0.73 -1.85 0.46 0.00 0.00 0.00 0.00 33.22 32.56 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 -0.48 0.16 0.00 3.17 -0.04 0.88 0.70 135.00 139.40 2crq n PRO 75 Ca 0.24 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2crq n PRO 75 Cb 0.82 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 2crq n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2crq n ASP 76 N -2.13 1.47 0.00 3.54 9.92 -1.26 -4.67 116.55 123.43 2crq n ASP 76 Ca 0.02 -1.51 0.00 0.00 -0.53 0.00 0.00 54.79 52.77 2crq n ASP 76 Cb 0.22 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.70 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2crq n ILE 77 N -0.26 0.00 -4.18 0.53 3.06 -1.02 -4.92 119.36 112.58 2crq n ILE 77 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 2crq n ILE 77 Cb 0.14 0.25 -0.10 0.00 0.54 0.00 0.00 39.64 40.47 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 -1.23 1.09 -0.12 1.51 0.00 0.22 -3.71 121.76 119.52 2crq s ALA 78 Ca 0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 2crq s ALA 78 Cb 0.00 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2crq s ALA 78 CO 0.00 -0.16 0.31 -0.08 0.00 0.00 0.00 175.76 175.83 2crq s THR 79 N -3.25 -0.01 -0.95 0.00 -1.32 -0.74 -4.45 115.64 104.92 2crq s THR 79 Ca 0.11 0.05 -0.28 0.00 -1.21 0.00 0.00 61.69 60.37 2crq s THR 79 Cb 0.03 -0.45 -0.22 0.00 -1.51 0.00 0.00 72.50 70.35 2crq s THR 79 CO -0.02 0.02 2.61 0.49 -2.21 0.00 0.00 174.62 175.50 2crq n PHE 80 N 3.49 0.57 0.01 9.09 3.01 -1.26 -2.28 117.46 130.09 2crq n PHE 80 Ca -0.18 0.31 -0.07 0.00 1.01 0.00 0.00 57.45 58.52 2crq n PHE 80 Cb 0.56 -2.18 0.11 0.00 -0.01 0.00 0.00 39.48 37.96 2crq n PHE 80 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2crq h SER 81 N 12.55 0.54 -2.63 4.37 0.87 -0.52 -3.42 113.55 125.30 2crq h SER 81 Ca -0.05 -0.25 -0.31 0.00 -1.23 0.00 0.00 61.79 59.94 2crq h SER 81 Cb 1.28 -0.15 -0.36 0.00 -0.44 0.00 0.00 62.40 62.73 2crq h SER 81 CO 1.39 0.92 -0.62 -0.44 -0.53 0.00 0.00 176.83 177.55 2crq s SER 82 N -6.87 1.24 0.18 6.23 0.01 -0.82 -4.89 113.70 108.78 2crq s SER 82 Ca -0.07 -0.10 -0.32 0.00 1.31 0.00 0.00 55.95 56.77 2crq s SER 82 Cb 0.12 0.38 -0.16 0.00 0.21 0.00 0.00 66.02 66.57 2crq s SER 82 CO 0.82 -0.31 1.10 0.54 0.41 0.00 0.00 173.24 175.80 2crq n ARG 83 N 5.32 1.06 -2.15 12.44 5.12 -1.26 -2.97 116.66 134.22 2crq n ARG 83 Ca -0.05 0.38 -0.42 0.00 -1.93 0.00 0.00 57.85 55.82 2crq n ARG 83 Cb 0.50 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.94 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 -0.53 4.20 0.35 5.56 0.04 -1.26 -4.78 135.00 138.58 2crq s PRO 84 Ca 0.72 2.01 0.08 0.00 0.04 0.00 0.00 61.00 63.84 2crq s PRO 84 Cb -0.86 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 29.72 2crq s PRO 84 CO 0.53 -0.79 -0.04 -1.59 0.04 0.00 0.00 177.00 175.15 2crq s LYS 85 N 3.80 1.80 -0.12 4.56 0.00 -1.21 -4.92 119.74 123.64 2crq s LYS 85 Ca 0.67 -1.96 -0.30 0.00 0.00 0.00 0.00 55.97 54.38 2crq s LYS 85 Cb -0.29 -1.50 -0.02 0.00 0.00 0.00 0.00 37.83 36.01 2crq s LYS 85 CO 0.24 0.03 1.25 0.00 0.00 0.00 0.00 175.35 176.88 2crq s ALA 86 N -2.78 3.60 0.39 0.59 0.00 -1.26 -2.99 121.76 119.30 2crq s ALA 86 Ca 0.33 0.54 0.08 0.00 0.00 0.00 0.00 51.96 52.90 2crq s ALA 86 Cb 0.06 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 2crq s ALA 86 CO 0.16 -1.01 0.03 0.96 0.00 0.00 0.00 175.76 175.90 2crq s ILE 87 N 2.98 2.17 -1.75 0.00 -4.36 0.58 -4.65 121.20 116.16 2crq s ILE 87 Ca 0.56 -1.96 -0.16 0.00 -0.26 0.00 0.00 60.65 58.83 2crq s ILE 87 Cb -0.23 -2.93 0.15 0.00 1.25 0.00 0.00 42.46 40.70 2crq s ILE 87 CO 0.18 -0.05 0.45 0.54 0.24 0.00 0.00 174.94 176.30 2crq n ARG 88 N -1.00 -1.22 0.00 0.37 1.74 -1.26 -0.17 116.66 115.12 2crq n ARG 88 Ca -0.04 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.21 2crq n ARG 88 Cb 0.65 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.64 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 -1.56 2.96 0.00 -0.13 0.00 -1.26 -4.37 105.19 100.83 2crq n GLY 89 Ca -0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 0.47 0.29 -0.02 0.00 0.76 -4.99 105.19 101.70 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 0.00 0.00 0.00 0.00 173.32 173.32 2crq h THR 91 N 0.00 0.24 -3.97 2.61 1.03 -1.76 -3.43 112.91 107.62 2crq h THR 91 Ca 0.00 -0.35 -0.43 0.00 -0.01 0.00 0.00 66.41 65.62 2crq h THR 91 Cb 0.00 1.27 -0.22 0.00 -1.07 0.00 0.00 68.15 68.13 2crq h THR 91 CO 0.00 0.05 -0.79 0.00 -0.01 0.00 0.00 175.52 174.77 2crq s ALA 92 N -4.05 1.22 0.25 0.00 0.00 -1.25 -3.14 121.76 114.78 2crq s ALA 92 Ca -0.02 -0.97 0.12 0.00 0.00 0.00 0.00 51.96 51.08 2crq s ALA 92 Cb 0.12 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2crq s ALA 92 CO 0.52 0.20 -0.21 0.45 0.00 0.00 0.00 175.76 176.71 2crq s SER 93 N -1.58 3.51 -0.03 0.00 0.15 -1.13 -0.31 113.70 114.32 2crq s SER 93 Ca -0.00 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.69 2crq s SER 93 Cb -0.09 -0.28 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 2crq s SER 93 CO 0.02 0.07 -0.03 -0.32 1.20 0.00 0.00 173.24 174.18 2crq s MET 94 N -3.19 0.61 0.03 5.44 0.00 -1.16 -2.37 119.30 118.67 2crq s MET 94 Ca 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 55.69 55.84 2crq s MET 94 Cb -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 34.83 34.09 2crq s MET 94 CO 0.13 -0.07 0.09 0.00 0.00 0.00 0.00 175.02 175.17 2crq s VAL 96 N -2.43 1.99 0.15 0.00 1.01 -1.16 -0.34 120.40 119.63 2crq s VAL 96 Ca -0.06 -2.11 0.08 0.00 0.00 0.00 0.00 61.98 59.88 2crq s VAL 96 Cb -0.02 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 2crq s VAL 96 CO -0.04 -0.39 -0.18 -0.36 0.00 0.00 0.00 175.10 174.13 2crq s PHE 97 N -2.36 1.76 0.31 5.22 0.40 -1.13 0.20 117.98 122.38 2crq s PHE 97 Ca 0.21 -0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 2crq s PHE 97 Cb -0.04 -0.90 -0.03 0.00 0.51 0.00 0.00 43.02 42.56 2crq s PHE 97 CO 0.09 0.28 0.26 -0.98 0.70 0.00 0.00 175.22 175.57 2crq s ARG 98 N -2.62 1.67 0.16 0.44 1.70 -0.97 -3.88 118.95 115.44 2crq s ARG 98 Ca 0.13 -1.94 0.04 0.00 -0.47 0.00 0.00 55.73 53.49 2crq s ARG 98 Cb -0.06 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2crq s ARG 98 CO 0.06 -0.61 0.21 -1.58 -1.08 0.00 0.00 175.30 172.30 2crq s HIS 99 N -3.55 3.32 -0.27 5.89 5.65 -1.26 -1.79 115.29 123.29 2crq s HIS 99 Ca 0.40 0.05 -0.07 0.00 0.25 0.00 0.00 55.06 55.70 2crq s HIS 99 Cb 0.03 -1.59 -0.23 0.00 -1.18 0.00 0.00 32.58 29.60 2crq s HIS 99 CO 0.25 0.52 3.51 1.28 -0.65 0.00 0.00 174.74 179.64 2crq n LEU 100 N -0.46 5.82 0.02 8.88 4.77 -1.24 -4.64 117.00 130.15 2crq n LEU 100 Ca -0.08 -3.39 -0.01 0.00 -0.03 0.00 0.00 56.01 52.51 2crq n LEU 100 Cb 0.54 -1.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2crq n LEU 100 CO 0.46 1.76 0.50 -1.28 -1.33 0.00 0.00 177.39 177.50 2crq h SER 101 N 3.32 -0.04 0.05 -1.43 0.87 -1.94 -3.39 113.55 110.99 2crq h SER 101 Ca 0.30 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.59 2crq h SER 101 Cb 1.31 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.26 2crq h SER 101 CO 0.49 -0.03 -1.49 0.50 -0.53 0.00 0.00 176.83 175.77 2crq h LYS 102 N -0.04 0.10 -5.95 2.24 3.64 -2.05 -3.46 116.57 111.05 2crq h LYS 102 Ca -0.00 -0.18 -0.60 0.00 -1.27 0.00 0.00 60.65 58.60 2crq h LYS 102 Cb 0.03 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2crq h LYS 102 CO 0.00 1.09 -0.18 0.15 -2.27 0.00 0.00 179.45 178.24 2crq s LYS 103 N -2.43 4.04 -0.03 1.90 -0.14 -1.26 -5.08 119.74 116.73 2crq s LYS 103 Ca -0.26 0.43 -0.07 0.00 -1.36 0.00 0.00 55.97 54.71 2crq s LYS 103 Cb 0.06 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.94 2crq s LYS 103 CO 0.66 0.56 0.17 -1.83 -0.76 0.00 0.00 175.35 174.15 2crq s GLU 104 N -0.67 0.37 -0.59 1.68 4.04 -1.26 -4.23 118.70 118.04 2crq s GLU 104 Ca 0.24 -0.09 -0.26 0.00 0.04 0.00 0.00 54.97 54.90 2crq s GLU 104 Cb -0.16 0.16 -0.06 0.00 0.02 0.00 0.00 34.13 34.09 2crq s GLU 104 CO 0.13 -0.08 2.23 -2.00 -1.84 0.00 0.00 175.26 173.70 2crq s GLU 105 N -0.71 2.20 0.26 -4.83 2.56 -1.26 -4.91 118.70 112.01 2crq s GLU 105 Ca -0.08 0.95 -0.31 0.00 0.00 0.00 0.00 54.97 55.53 2crq s GLU 105 Cb -0.05 -4.59 -0.12 0.00 2.00 0.00 0.00 34.13 31.37 2crq s GLU 105 CO 0.01 -3.30 1.55 1.63 -0.56 0.00 0.00 175.26 174.60 2crq n LYS 106 N 9.03 2.49 -0.08 4.30 5.02 -1.26 -4.94 118.16 132.71 2crq n LYS 106 Ca 0.34 0.89 -0.07 0.00 -2.02 0.00 0.00 58.31 57.44 2crq n LYS 106 Cb 0.52 -2.64 -0.02 0.00 -0.02 0.00 0.00 35.03 32.87 2crq n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2crq n SER 107 N 2.41 1.73 -3.61 4.39 2.88 -1.26 -5.09 113.62 115.06 2crq n SER 107 Ca 0.11 0.35 -0.07 0.00 -1.33 0.00 0.00 58.87 57.92 2crq n SER 107 Cb 0.35 -0.74 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 2crq n SER 107 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2crq s GLY 108 N -4.61 -0.09 -0.22 0.46 0.00 -1.26 -5.13 107.32 96.47 2crq s GLY 108 Ca -0.24 2.50 -0.29 0.00 0.00 0.00 0.00 44.72 46.69 2crq s GLY 108 CO 0.35 1.27 1.61 2.56 0.00 0.00 0.00 173.10 178.90 2crq s PRO 109 N -0.76 3.80 -0.26 2.90 0.04 -1.26 -4.96 135.00 134.50 2crq s PRO 109 Ca 0.03 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 2crq s PRO 109 Cb -0.02 -4.03 0.14 0.00 0.04 0.00 0.00 34.50 30.63 2crq s PRO 109 CO -0.04 -1.29 1.13 0.45 0.04 0.00 0.00 177.00 177.28 2crq s SER 110 N 4.21 -0.33 -0.08 6.66 0.15 -1.26 -5.13 113.70 117.92 2crq s SER 110 Ca 0.71 0.57 -0.40 0.00 0.70 0.00 0.00 55.95 57.54 2crq s SER 110 Cb -0.25 0.56 -0.18 0.00 -1.71 0.00 0.00 66.02 64.44 2crq s SER 110 CO 0.29 -0.16 1.36 -0.24 1.20 0.00 0.00 173.24 175.69 2crq n SER 111 N 1.69 1.18 0.00 5.45 2.88 -1.26 -5.22 113.62 118.33 2crq n SER 111 Ca -0.11 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2crq n SER 111 Cb 0.57 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42