#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 -0.51 -0.08 1.61 0.15 -1.26 -5.07 113.70 108.54 2crq s SER 2 Ca 0.00 0.69 -0.18 0.00 0.70 0.00 0.00 55.95 57.16 2crq s SER 2 Cb 0.00 0.68 0.04 0.00 -1.71 0.00 0.00 66.02 65.03 2crq s SER 2 CO 0.00 -0.43 0.43 -0.55 1.20 0.00 0.00 173.24 173.89 2crq s SER 3 N -0.74 -0.38 0.02 5.45 0.15 -1.26 -5.17 113.70 111.77 2crq s SER 3 Ca -0.08 0.52 -0.28 0.00 0.70 0.00 0.00 55.95 56.81 2crq s SER 3 Cb -0.03 0.59 0.10 0.00 -1.71 0.00 0.00 66.02 64.98 2crq s SER 3 CO 0.05 -0.36 1.24 -0.83 1.20 0.00 0.00 173.24 174.54 2crq s GLY 4 N -0.68 -0.23 -0.09 9.45 0.00 -1.26 -5.19 107.32 109.32 2crq s GLY 4 Ca -0.08 0.28 -0.32 0.00 0.00 0.00 0.00 44.72 44.60 2crq s GLY 4 CO 0.04 2.51 1.21 -1.35 0.00 0.00 0.00 173.10 175.51 2crq s SER 5 N -3.35 -0.12 0.13 1.64 1.04 -1.26 -5.19 113.70 106.60 2crq s SER 5 Ca 0.21 -0.08 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 2crq s SER 5 Cb 0.02 0.18 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2crq s SER 5 CO -0.01 -0.32 0.02 -0.44 0.98 0.00 0.00 173.24 173.48 2crq s SER 6 N -2.57 0.66 0.03 7.02 0.01 -1.26 -5.17 113.70 112.42 2crq s SER 6 Ca 0.11 -1.16 0.08 0.00 1.31 0.00 0.00 55.95 56.29 2crq s SER 6 Cb 0.01 0.22 -0.03 0.00 0.21 0.00 0.00 66.02 66.44 2crq s SER 6 CO -0.04 -0.65 -0.24 -0.83 0.41 0.00 0.00 173.24 171.88 2crq s GLY 7 N -3.07 1.28 0.10 3.44 0.00 -1.26 -5.11 107.32 102.70 2crq s GLY 7 Ca 0.21 -1.17 -0.31 0.00 0.00 0.00 0.00 44.72 43.45 2crq s GLY 7 CO 0.01 -1.05 1.37 2.56 0.00 0.00 0.00 173.10 175.99 2crq s PRO 8 N -1.10 4.33 -0.15 2.90 0.04 -1.26 -5.02 135.00 134.74 2crq s PRO 8 Ca 0.10 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.13 2crq s PRO 8 Cb -0.10 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2crq s PRO 8 CO 0.01 -0.43 0.02 0.15 0.04 0.00 0.00 177.00 176.78 2crq s LYS 9 N 1.25 3.60 0.29 4.56 1.02 -1.26 -5.11 119.74 124.09 2crq s LYS 9 Ca 0.64 -0.41 0.07 0.00 0.02 0.00 0.00 55.97 56.29 2crq s LYS 9 Cb -0.35 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 33.92 2crq s LYS 9 CO 0.30 0.39 0.27 0.95 -0.92 0.00 0.00 175.35 176.34 2crq s THR 10 N -0.01 4.05 0.00 2.17 -4.23 -1.26 -5.11 115.64 111.25 2crq s THR 10 Ca 0.04 -1.34 0.00 0.00 -1.18 0.00 0.00 61.69 59.20 2crq s THR 10 Cb -0.13 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.39 2crq s THR 10 CO 0.02 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2crq n GLY 11 N -1.31 3.76 3.77 3.99 0.00 -1.26 -5.16 105.19 108.98 2crq n GLY 11 Ca -0.05 -0.45 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.71 2.46 0.55 1.61 0.04 -1.26 -4.97 135.00 131.72 2crq s PRO 12 Ca 0.00 1.26 -0.19 0.00 0.04 0.00 0.00 61.00 62.11 2crq s PRO 12 Cb 0.00 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 2crq s PRO 12 CO 0.00 -1.50 0.66 -2.37 0.04 0.00 0.00 177.00 173.83 2crq n THR 13 N -3.10 2.53 -3.62 1.26 5.66 -1.26 -5.01 114.28 110.75 2crq n THR 13 Ca 0.10 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.51 2crq n THR 13 Cb 0.53 -0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 68.44 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 -2.17 0.46 -0.03 1.09 0.00 -1.26 -5.17 119.30 112.22 2crq s MET 14 Ca 0.69 0.32 0.03 0.00 0.00 0.00 0.00 55.69 56.74 2crq s MET 14 Cb -0.46 0.22 -0.00 0.00 0.00 0.00 0.00 34.83 34.59 2crq s MET 14 CO 0.53 -0.10 -0.12 0.99 0.00 0.00 0.00 175.02 176.32 2crq s THR 15 N -0.41 1.05 0.15 10.11 2.01 -1.26 -4.54 115.64 122.75 2crq s THR 15 Ca 0.02 -0.51 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2crq s THR 15 Cb -0.03 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 2crq s THR 15 CO -0.04 0.31 0.23 -0.54 -0.69 0.00 0.00 174.62 173.89 2crq s LYS 16 N 0.10 3.24 -0.03 4.92 -0.14 -0.96 -5.05 119.74 121.81 2crq s LYS 16 Ca -0.03 -0.69 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 2crq s LYS 16 Cb -0.09 -2.85 0.03 0.00 -1.68 0.00 0.00 37.83 33.24 2crq s LYS 16 CO 0.01 0.51 0.03 -1.21 -0.76 0.00 0.00 175.35 173.93 2crq s GLU 17 N -3.15 0.07 -0.15 1.68 2.02 -1.26 -1.68 118.70 116.22 2crq s GLU 17 Ca 0.33 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.54 2crq s GLU 17 Cb -0.11 -0.43 -0.00 0.00 0.10 0.00 0.00 34.13 33.69 2crq s GLU 17 CO 0.27 -0.22 -0.15 -1.17 0.02 0.00 0.00 175.26 174.01 2crq s LEU 18 N 1.44 2.52 -0.04 1.80 2.96 0.58 -4.92 118.68 123.01 2crq s LEU 18 Ca -0.04 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 2crq s LEU 18 Cb -0.13 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.00 2crq s LEU 18 CO -0.03 0.10 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.33 2crq s VAL 19 N 0.75 0.79 0.14 1.68 1.01 -1.26 -1.07 120.40 122.44 2crq s VAL 19 Ca -0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.44 2crq s VAL 19 Cb -0.15 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.53 2crq s VAL 19 CO 0.01 0.27 0.44 0.72 0.00 0.00 0.00 175.10 176.54 2crq s PHE 20 N 0.58 -0.24 0.73 5.22 -0.12 -1.03 -5.01 117.98 118.12 2crq s PHE 20 Ca -0.10 -0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 56.59 2crq s PHE 20 Cb -0.13 0.32 0.04 0.00 -0.63 0.00 0.00 43.02 42.62 2crq s PHE 20 CO 0.01 -0.75 1.13 -1.54 -0.05 0.00 0.00 175.22 174.03 2crq s SER 21 N -2.81 4.49 0.00 1.98 1.04 -1.26 -2.49 113.70 114.66 2crq s SER 21 Ca 0.03 2.05 0.29 0.00 0.48 0.00 0.00 55.95 58.81 2crq s SER 21 Cb 0.01 -2.55 1.30 0.00 0.10 0.00 0.00 66.02 64.88 2crq s SER 21 CO -0.11 -2.05 1.94 -0.24 0.98 0.00 0.00 173.24 173.76 2crq n SER 22 N -2.98 0.07 -1.84 7.02 2.88 -1.20 -3.19 113.62 114.38 2crq n SER 22 Ca 0.11 0.14 0.04 0.00 -1.33 0.00 0.00 58.87 57.82 2crq n SER 22 Cb 0.52 -0.34 0.36 0.00 -0.75 0.00 0.00 64.21 63.99 2crq n SER 22 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2crq n ASN 23 N -1.38 5.25 -4.71 -3.46 4.13 -1.26 -4.96 115.26 108.87 2crq n ASN 23 Ca 0.10 -2.93 -0.42 0.00 1.68 0.00 0.00 54.58 53.01 2crq n ASN 23 Cb 0.30 -0.69 -0.03 0.00 -1.54 0.00 0.00 39.78 37.82 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2crq s ILE 24 N -2.69 3.44 0.00 2.41 2.07 -1.19 -5.02 121.20 120.23 2crq s ILE 24 Ca 0.51 0.98 0.00 0.00 -1.41 0.00 0.00 60.65 60.73 2crq s ILE 24 Cb 0.39 -3.63 0.00 0.00 0.13 0.00 0.00 42.46 39.35 2crq s ILE 24 CO 0.14 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.83 2crq n GLY 25 N 3.55 -2.41 0.12 1.50 0.00 -1.26 -4.76 105.19 101.93 2crq n GLY 25 Ca 0.12 -1.44 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 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 0.34 -0.37 1.61 4.15 -1.97 -2.29 115.11 116.57 2crq h GLN 26 Ca 0.00 -0.57 0.01 0.00 0.77 0.00 0.00 58.65 58.86 2crq h GLN 26 Cb 0.00 0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2crq h GLN 26 CO 0.00 1.24 0.22 0.45 -1.93 0.00 0.00 178.83 178.81 2crq h HIS 27 N 0.09 0.41 -0.01 3.99 3.86 -2.00 0.24 115.15 121.73 2crq h HIS 27 Ca -0.23 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 58.95 2crq h HIS 27 Cb 2.05 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 30.39 2crq h HIS 27 CO 0.08 0.25 -0.17 -0.44 0.86 0.00 0.00 177.93 178.51 2crq h ASP 28 N 0.45 0.16 -0.68 2.45 5.19 -1.94 -3.30 116.42 118.74 2crq h ASP 28 Ca 0.14 -0.74 0.12 0.00 -0.62 0.00 0.00 57.03 55.93 2crq h ASP 28 Cb -0.01 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 39.37 2crq h ASP 28 CO -0.06 0.88 0.24 0.25 -3.12 0.00 0.00 179.24 177.43 2crq h LEU 29 N -0.54 0.19 -1.00 1.55 5.85 -1.35 -0.85 115.31 119.16 2crq h LEU 29 Ca -0.02 0.10 0.41 0.00 0.84 0.00 0.00 57.88 59.22 2crq h LEU 29 Cb 0.90 0.10 -0.18 0.00 0.37 0.00 0.00 40.66 41.85 2crq h LEU 29 CO 0.03 0.09 0.52 -0.78 -0.34 0.00 0.00 178.44 177.96 2crq h ASP 30 N 0.39 0.30 0.55 1.25 3.58 -1.02 0.00 116.42 121.47 2crq h ASP 30 Ca 0.36 0.26 -0.03 0.00 0.42 0.00 0.00 57.03 58.05 2crq h ASP 30 Cb 0.53 0.27 0.01 0.00 1.72 0.00 0.00 39.33 41.86 2crq h ASP 30 CO -0.38 -0.43 -0.26 0.74 -2.88 0.00 0.00 179.24 176.02 2crq h THR 31 N 0.01 0.00 -0.82 2.25 2.02 -1.31 -3.07 112.91 112.00 2crq h THR 31 Ca 0.84 -0.23 0.30 0.00 0.77 0.00 0.00 66.41 68.09 2crq h THR 31 Cb 2.21 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 68.47 2crq h THR 31 CO -0.77 0.00 0.28 0.29 0.37 0.00 0.00 175.52 175.69 2crq n LYS 32 N -4.62 -0.06 0.33 6.66 4.01 -0.05 0.62 118.16 125.05 2crq n LYS 32 Ca -0.09 1.16 -0.17 0.00 -0.51 0.00 0.00 58.31 58.70 2crq n LYS 32 Cb 0.29 -2.00 -0.09 0.00 -0.51 0.00 0.00 35.03 32.73 2crq n LYS 32 CO 0.00 0.00 0.00 0.77 -1.11 0.00 0.00 177.40 177.06 2crq h SER 33 N 0.00 -0.74 0.68 4.39 0.02 -1.40 -2.07 113.55 114.43 2crq h SER 33 Ca 0.62 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.57 2crq h SER 33 Cb 1.54 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 64.28 2crq h SER 33 CO -0.68 -0.50 -0.38 0.11 -1.14 0.00 0.00 176.83 174.23 2crq h LYS 34 N -0.82 -0.96 -0.94 3.45 1.57 0.28 -1.67 116.57 117.48 2crq h LYS 34 Ca -0.08 0.07 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 2crq h LYS 34 Cb 0.64 0.22 -0.14 0.00 0.08 0.00 0.00 32.23 33.02 2crq h LYS 34 CO 0.11 -0.64 -0.43 1.96 -0.57 0.00 0.00 179.45 179.88 2crq h GLN 35 N -0.99 -0.03 0.18 3.15 1.08 -1.04 0.40 115.11 117.86 2crq h GLN 35 Ca -0.09 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2crq h GLN 35 Cb 0.79 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2crq h GLN 35 CO 0.11 -0.02 -0.22 0.82 -0.95 0.00 0.00 178.83 178.57 2crq h ILE 36 N -0.03 0.51 -0.86 2.54 2.04 -1.26 -2.62 117.51 117.83 2crq h ILE 36 Ca 0.29 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.34 2crq h ILE 36 Cb 0.55 0.51 -0.16 0.00 -0.74 0.00 0.00 36.82 36.98 2crq h ILE 36 CO -0.94 0.00 -0.11 -0.61 0.00 0.00 0.00 178.15 176.49 2crq h GLN 37 N -0.45 0.03 -0.50 2.37 4.15 0.01 0.28 115.11 120.99 2crq h GLN 37 Ca 0.01 -0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.53 2crq h GLN 37 Cb 0.44 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.04 2crq h GLN 37 CO -0.08 0.02 -0.09 1.96 -1.93 0.00 0.00 178.83 178.71 2crq h GLN 38 N 0.03 0.03 -0.15 1.69 7.50 -0.87 -0.40 115.11 122.95 2crq h GLN 38 Ca 0.45 -0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.59 2crq h GLN 38 Cb 0.77 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.29 2crq h GLN 38 CO -0.84 0.02 0.05 -1.49 -1.50 0.00 0.00 178.83 175.06 2crq h TRP 39 N 0.03 0.23 -0.99 2.96 6.55 -0.46 -2.89 115.95 121.38 2crq h TRP 39 Ca 0.24 -0.02 0.18 0.00 0.95 0.00 0.00 58.89 60.24 2crq h TRP 39 Cb 0.37 -0.07 -0.10 0.00 -0.86 0.00 0.00 29.16 28.50 2crq h TRP 39 CO -0.39 0.35 0.59 0.82 -1.05 0.00 0.00 178.44 178.76 2crq h ILE 40 N 0.05 0.73 -0.71 1.49 1.08 -0.25 -0.29 117.51 119.62 2crq h ILE 40 Ca 0.05 -0.27 0.12 0.00 -0.39 0.00 0.00 64.86 64.37 2crq h ILE 40 Cb 0.22 -0.11 -0.08 0.00 -3.07 0.00 0.00 36.82 33.78 2crq h ILE 40 CO -0.00 0.14 0.29 -0.33 -0.69 0.00 0.00 178.15 177.56 2crq h GLU 41 N 0.77 0.45 -0.93 2.37 4.39 -0.88 0.34 114.58 121.09 2crq h GLU 41 Ca 0.56 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.22 2crq h GLU 41 Cb 0.82 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2crq h GLU 41 CO -0.37 0.30 0.02 1.63 -1.16 0.00 0.00 179.01 179.42 2crq n LYS 42 N -4.98 1.70 -3.76 2.33 5.02 -0.19 -4.84 118.16 113.44 2crq n LYS 42 Ca 0.12 -0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 55.55 2crq n LYS 42 Cb 0.35 -1.60 0.04 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.13 -5.67 -3.87 1.97 4.01 0.12 -4.96 118.16 109.89 2crq n LYS 43 Ca 0.06 0.65 -0.35 0.00 -0.51 0.00 0.00 58.31 58.16 2crq n LYS 43 Cb 0.47 -5.44 -0.08 0.00 -0.51 0.00 0.00 35.03 29.47 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 -3.46 3.39 -0.44 2.13 2.02 -0.77 -5.00 117.35 115.23 2crq s TYR 44 Ca 0.35 0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 57.04 2crq s TYR 44 Cb -0.17 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2crq s TYR 44 CO 0.80 0.35 1.41 -1.01 -1.57 0.00 0.00 175.55 175.53 2crq s HIS 45 N 0.03 2.38 -0.23 2.71 3.76 -1.26 -4.13 115.29 118.55 2crq s HIS 45 Ca 0.08 0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 55.55 2crq s HIS 45 Cb -0.12 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.20 2crq s HIS 45 CO -0.00 -1.97 0.12 0.08 -0.85 0.00 0.00 174.74 172.12 2crq s VAL 46 N 5.54 4.95 -0.43 -0.90 1.01 -1.25 -2.28 120.40 127.05 2crq s VAL 46 Ca 0.60 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 62.46 2crq s VAL 46 Cb -0.13 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.98 2crq s VAL 46 CO 0.32 0.36 0.35 -1.58 0.00 0.00 0.00 175.10 174.54 2crq s GLN 47 N 1.15 2.99 -0.03 2.72 0.74 -0.68 -2.53 119.66 124.02 2crq s GLN 47 Ca 0.06 -1.08 -0.15 0.00 0.05 0.00 0.00 55.36 54.23 2crq s GLN 47 Cb -0.14 -4.02 -0.05 0.00 1.10 0.00 0.00 33.01 29.89 2crq s GLN 47 CO 0.04 -0.85 0.41 0.08 -0.55 0.00 0.00 175.29 174.42 2crq s VAL 48 N 1.74 5.07 -0.03 1.34 1.01 0.38 -0.31 120.40 129.59 2crq s VAL 48 Ca 0.06 0.83 0.00 0.00 0.00 0.00 0.00 61.98 62.87 2crq s VAL 48 Cb -0.20 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.48 2crq s VAL 48 CO 0.09 0.53 0.00 -0.89 0.00 0.00 0.00 175.10 174.84 2crq s THR 49 N -0.72 0.19 -0.32 3.92 2.01 -0.23 -1.25 115.64 119.23 2crq s THR 49 Ca 0.23 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 2crq s THR 49 Cb -0.16 -0.30 0.05 0.00 0.01 0.00 0.00 72.50 72.10 2crq s THR 49 CO 0.12 0.16 0.06 -0.63 -0.69 0.00 0.00 174.62 173.64 2crq s ILE 50 N 1.17 3.36 -0.64 1.82 1.01 -0.96 -2.46 121.20 124.50 2crq s ILE 50 Ca -0.08 -1.31 -0.26 0.00 0.00 0.00 0.00 60.65 59.00 2crq s ILE 50 Cb -0.13 -2.94 -0.11 0.00 0.01 0.00 0.00 42.46 39.29 2crq s ILE 50 CO -0.02 -0.17 2.42 0.29 0.00 0.00 0.00 174.94 177.46 2crq n LYS 51 N 4.71 0.79 -2.34 2.79 5.02 -1.04 -2.52 118.16 125.57 2crq n LYS 51 Ca -0.12 -0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 55.42 2crq n LYS 51 Cb 0.44 -3.56 -0.02 0.00 -0.02 0.00 0.00 35.03 31.87 2crq n LYS 51 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2crq s ARG 52 N 8.61 3.84 -0.29 1.97 3.52 -1.00 -3.27 118.95 132.33 2crq s ARG 52 Ca 0.96 0.84 0.01 0.00 -0.13 0.00 0.00 55.73 57.41 2crq s ARG 52 Cb -0.16 -2.16 0.09 0.00 -1.56 0.00 0.00 34.95 31.16 2crq s ARG 52 CO 0.17 -0.31 0.03 -0.98 -0.81 0.00 0.00 175.30 173.40 2crq s ARG 53 N -4.31 1.30 0.62 5.12 3.03 -1.26 -4.47 118.95 118.98 2crq s ARG 53 Ca 0.57 -1.33 0.33 0.00 2.03 0.00 0.00 55.73 57.33 2crq s ARG 53 Cb -0.10 -2.62 1.88 0.00 -1.03 0.00 0.00 34.95 33.07 2crq s ARG 53 CO 0.37 -0.84 2.16 0.87 -1.13 0.00 0.00 175.30 176.73 2crq h LYS 54 N 7.87 0.00 -1.37 3.89 1.79 -1.87 -1.41 116.57 125.47 2crq h LYS 54 Ca -0.12 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 57.97 2crq h LYS 54 Cb 1.04 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.52 2crq h LYS 54 CO 0.47 0.00 0.49 -3.47 -1.08 0.00 0.00 179.45 175.86 2crq n ASP 55 N -3.47 6.32 -4.31 0.86 2.03 -1.26 -4.88 116.55 111.84 2crq n ASP 55 Ca -0.01 -3.18 -0.32 0.00 0.52 0.00 0.00 54.79 51.80 2crq n ASP 55 Cb 0.24 -1.00 -0.15 0.00 -0.72 0.00 0.00 41.12 39.48 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2crq s ALA 56 N -2.18 2.43 0.53 -1.67 0.00 -0.54 -5.00 121.76 115.34 2crq s ALA 56 Ca 0.37 -0.93 0.32 0.00 0.00 0.00 0.00 51.96 51.72 2crq s ALA 56 Cb 0.29 -1.02 1.48 0.00 0.00 0.00 0.00 23.12 23.88 2crq s ALA 56 CO 0.00 0.29 1.87 1.05 0.00 0.00 0.00 175.76 178.97 2crq h GLU 57 N 6.61 0.01 0.00 0.00 4.11 -1.89 -3.41 114.58 120.01 2crq h GLU 57 Ca -0.24 -0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.79 2crq h GLU 57 Cb 1.22 -0.00 0.20 0.00 0.50 0.00 0.00 28.75 30.66 2crq h GLU 57 CO 0.52 0.01 0.10 1.04 0.07 0.00 0.00 179.01 180.74 2crq n GLN 58 N -4.26 -3.25 -4.41 1.06 3.00 -1.26 -5.07 117.38 103.18 2crq n GLN 58 Ca 0.20 -1.72 -0.24 0.00 -0.01 0.00 0.00 57.00 55.23 2crq n GLN 58 Cb 1.01 -1.64 -0.09 0.00 0.00 0.00 0.00 30.24 29.51 2crq n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2crq s SER 59 N -4.34 3.96 0.58 1.08 0.15 -1.26 -5.00 113.70 108.86 2crq s SER 59 Ca 0.70 -0.94 0.29 0.00 0.70 0.00 0.00 55.95 56.71 2crq s SER 59 Cb -0.07 -0.49 1.44 0.00 -1.71 0.00 0.00 66.02 65.19 2crq s SER 59 CO 0.54 -0.04 1.85 -0.33 1.20 0.00 0.00 173.24 176.46 2crq h GLU 60 N 2.07 0.00 -0.62 5.44 5.08 -1.97 -0.20 114.58 124.37 2crq h GLU 60 Ca -0.42 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2crq h GLU 60 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 2crq h GLU 60 CO 0.62 0.00 0.24 0.93 -1.00 0.00 0.00 179.01 179.80 2crq h GLU 61 N 0.00 0.41 -0.64 2.33 4.39 -1.99 -1.02 114.58 118.06 2crq h GLU 61 Ca 0.29 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.02 2crq h GLU 61 Cb 1.45 -0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.96 2crq h GLU 61 CO -0.00 0.27 0.36 0.93 -1.16 0.00 0.00 179.01 179.40 2crq h GLU 62 N 0.42 0.65 -0.73 2.33 4.39 -1.43 0.15 114.58 120.36 2crq h GLU 62 Ca 0.32 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 2crq h GLU 62 Cb 0.39 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2crq h GLU 62 CO -0.31 0.43 0.25 1.15 -1.16 0.00 0.00 179.01 179.37 2crq h THR 63 N 0.67 1.25 -0.33 1.13 2.02 -1.37 -2.83 112.91 113.45 2crq h THR 63 Ca 0.28 -0.85 -0.16 0.00 0.77 0.00 0.00 66.41 66.45 2crq h THR 63 Cb 0.16 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2crq h THR 63 CO -0.17 0.34 -0.43 -0.08 0.37 0.00 0.00 175.52 175.55 2crq h GLU 64 N 1.07 0.84 -0.77 6.66 4.81 -0.47 -3.19 114.58 123.53 2crq h GLU 64 Ca 0.24 -0.46 0.18 0.00 -0.13 0.00 0.00 59.36 59.18 2crq h GLU 64 Cb 0.26 0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.53 2crq h GLU 64 CO -0.01 1.10 -0.02 0.93 -0.73 0.00 0.00 179.01 180.28 2crq h GLU 65 N 0.68 0.08 -0.58 1.92 4.39 -0.47 -0.98 114.58 119.61 2crq h GLU 65 Ca 0.05 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.83 2crq h GLU 65 Cb 1.01 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.53 2crq h GLU 65 CO 0.10 0.05 -0.45 0.82 -1.16 0.00 0.00 179.01 178.37 2crq h ILE 66 N 0.08 0.07 -1.03 3.13 2.04 -1.55 0.23 117.51 120.48 2crq h ILE 66 Ca 0.42 0.00 0.35 0.00 1.00 0.00 0.00 64.86 66.63 2crq h ILE 66 Cb 0.73 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 2crq h ILE 66 CO -0.70 0.00 0.66 0.49 0.00 0.00 0.00 178.15 178.61 2crq n PHE 67 N -5.40 0.51 -0.03 1.37 3.72 -0.37 0.19 117.46 117.45 2crq n PHE 67 Ca 0.01 0.51 -0.16 0.00 -0.05 0.00 0.00 57.45 57.77 2crq n PHE 67 Cb 0.35 -0.91 -0.13 0.00 -0.94 0.00 0.00 39.48 37.85 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 0.19 -0.26 4.37 2.35 -0.63 -2.80 115.58 118.80 2crq h ASN 68 Ca 0.65 -0.88 0.08 0.00 -0.55 0.00 0.00 56.30 55.59 2crq h ASN 68 Cb 2.11 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 40.41 2crq h ASN 68 CO -0.34 1.05 0.53 1.56 -1.65 0.00 0.00 177.43 178.59 2crq h GLN 69 N -0.65 0.00 0.08 0.81 4.20 0.24 0.57 115.11 120.36 2crq h GLN 69 Ca -0.04 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.32 2crq h GLN 69 Cb 1.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 2crq h GLN 69 CO 0.05 0.00 -1.97 -0.89 -0.67 0.00 0.00 178.83 175.35 2crq n ILE 70 N -3.20 1.71 0.50 2.54 5.41 -0.75 -4.06 119.36 121.50 2crq n ILE 70 Ca 0.04 -0.69 0.13 0.00 1.00 0.00 0.00 62.75 63.23 2crq n ILE 70 Cb 0.65 -1.49 0.38 0.00 -0.71 0.00 0.00 39.64 38.46 2crq n ILE 70 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2crq h LEU 71 N 0.05 0.00 -1.27 1.39 5.85 -0.29 -3.11 115.31 117.92 2crq h LEU 71 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2crq h LEU 71 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 2crq h LEU 71 CO 0.07 0.00 0.00 1.56 -0.34 0.00 0.00 178.44 179.73 2crq h GLN 72 N 0.00 0.00 0.00 1.25 1.08 -0.20 -0.51 115.11 116.73 2crq h GLN 72 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2crq h GLN 72 Cb 0.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2crq h GLN 72 CO 0.00 0.00 -1.33 0.25 -0.95 0.00 0.00 178.83 176.80 2crq n THR 73 N -2.57 0.36 -2.55 -0.54 -2.24 -1.18 -4.35 114.28 101.21 2crq n THR 73 Ca 0.01 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 2crq n THR 73 Cb 0.20 -0.15 0.03 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.44 2.29 0.00 -0.78 -0.00 -0.77 -4.85 117.12 110.57 2crq n MET 74 Ca -0.01 -3.77 0.07 0.00 -0.00 0.00 0.00 57.70 54.00 2crq n MET 74 Cb 0.54 -1.77 0.38 0.00 -0.00 0.00 0.00 33.22 32.37 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 -0.45 0.24 0.00 3.17 -0.04 -0.27 0.78 135.00 138.43 2crq n PRO 75 Ca 0.21 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 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 -1.26 0.12 -0.00 3.54 5.68 -1.26 -4.69 116.55 118.67 2crq n ASP 76 Ca 0.07 -0.44 0.02 0.00 -0.50 0.00 0.00 54.79 53.94 2crq n ASP 76 Cb 0.11 0.47 -0.02 0.00 -1.14 0.00 0.00 41.12 40.54 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 -0.47 0.00 -4.09 2.12 3.06 -1.04 -4.75 119.36 114.19 2crq n ILE 77 Ca 0.00 -0.13 -0.12 0.00 -2.50 0.00 0.00 62.75 60.00 2crq n ILE 77 Cb 0.02 0.51 -0.11 0.00 0.54 0.00 0.00 39.64 40.60 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 -2.08 0.66 0.12 1.51 0.00 0.23 -3.56 121.76 118.64 2crq s ALA 78 Ca -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2crq s ALA 78 Cb 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2crq s ALA 78 CO 0.13 -0.09 0.08 -0.08 0.00 0.00 0.00 175.76 175.80 2crq s THR 79 N -2.00 0.13 -1.07 0.00 -1.32 0.31 -4.33 115.64 107.35 2crq s THR 79 Ca -0.04 -1.78 -0.24 0.00 -1.21 0.00 0.00 61.69 58.42 2crq s THR 79 Cb -0.06 -1.86 -0.08 0.00 -1.51 0.00 0.00 72.50 68.99 2crq s THR 79 CO -0.01 -0.57 1.96 -0.36 -2.21 0.00 0.00 174.62 173.43 2crq s PHE 80 N -4.00 1.83 0.06 9.09 0.08 -1.26 -2.67 117.98 121.12 2crq s PHE 80 Ca 0.18 0.68 -0.38 0.00 0.12 0.00 0.00 56.93 57.53 2crq s PHE 80 Cb 0.07 -3.96 -0.21 0.00 -0.57 0.00 0.00 43.02 38.35 2crq s PHE 80 CO -0.02 -1.37 1.57 1.03 -0.10 0.00 0.00 175.22 176.33 2crq h SER 81 N 10.47 -1.16 -3.78 1.36 0.87 -1.84 -3.39 113.55 116.08 2crq h SER 81 Ca 0.16 0.04 -0.66 0.00 -1.23 0.00 0.00 61.79 60.09 2crq h SER 81 Cb 0.97 0.30 -0.39 0.00 -0.44 0.00 0.00 62.40 62.84 2crq h SER 81 CO 1.20 -0.83 -0.67 -0.44 -0.53 0.00 0.00 176.83 175.56 2crq s SER 82 N -3.99 4.79 0.12 6.23 0.01 -1.17 -4.97 113.70 114.72 2crq s SER 82 Ca -0.20 -2.30 -0.21 0.00 1.31 0.00 0.00 55.95 54.55 2crq s SER 82 Cb 0.02 -1.67 -0.12 0.00 0.21 0.00 0.00 66.02 64.46 2crq s SER 82 CO 0.60 -0.38 0.42 0.54 0.41 0.00 0.00 173.24 174.83 2crq n ARG 83 N 4.10 0.00 -2.12 12.44 5.12 -1.26 -2.95 116.66 131.99 2crq n ARG 83 Ca 0.03 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.53 2crq n ARG 83 Cb 0.40 -0.75 -0.03 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.60 3.82 0.26 5.56 0.04 -1.26 -4.76 135.00 138.06 2crq s PRO 84 Ca 0.48 1.67 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2crq s PRO 84 Cb -0.69 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 29.78 2crq s PRO 84 CO 0.39 -1.26 -0.15 -1.59 0.04 0.00 0.00 177.00 174.43 2crq s LYS 85 N 4.62 1.83 0.28 4.56 -2.85 -0.92 -4.93 119.74 122.34 2crq s LYS 85 Ca 0.71 -1.62 -0.29 0.00 -1.00 0.00 0.00 55.97 53.76 2crq s LYS 85 Cb -0.25 -1.90 -0.10 0.00 -2.06 0.00 0.00 37.83 33.53 2crq s LYS 85 CO 0.29 0.35 1.22 0.00 0.10 0.00 0.00 175.35 177.31 2crq s ALA 86 N -2.31 3.46 0.09 0.59 0.00 -1.26 -2.44 121.76 119.89 2crq s ALA 86 Ca 0.29 1.08 0.02 0.00 0.00 0.00 0.00 51.96 53.35 2crq s ALA 86 Cb -0.06 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2crq s ALA 86 CO 0.16 -0.42 -0.07 0.96 0.00 0.00 0.00 175.76 176.38 2crq s ILE 87 N -0.91 0.74 -1.35 0.00 -4.36 0.13 -4.70 121.20 110.75 2crq s ILE 87 Ca 0.48 -1.80 -0.05 0.00 -0.26 0.00 0.00 60.65 59.03 2crq s ILE 87 Cb -0.36 -1.52 0.01 0.00 1.25 0.00 0.00 42.46 41.84 2crq s ILE 87 CO 0.45 -0.76 0.60 0.54 0.24 0.00 0.00 174.94 176.02 2crq n ARG 88 N 0.21 -4.69 -1.59 0.37 1.74 -1.26 -1.96 116.66 109.49 2crq n ARG 88 Ca -0.14 0.80 -0.03 0.00 -0.77 0.00 0.00 57.85 57.71 2crq n ARG 88 Cb 0.60 -5.45 -0.01 0.00 -1.02 0.00 0.00 32.46 26.58 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 0.43 2.03 -0.13 0.00 -1.26 -3.01 105.19 101.77 2crq n GLY 89 Ca -0.09 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.78 0.75 0.13 -0.02 0.00 -0.85 -4.90 105.19 98.53 2crq n GLY 90 Ca -0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.11 2crq n GLY 90 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2crq h THR 91 N 0.00 0.00 -2.63 2.61 1.35 -1.38 -3.45 112.91 109.41 2crq h THR 91 Ca 0.00 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 65.35 2crq h THR 91 Cb 0.00 1.38 -0.16 0.00 -1.73 0.00 0.00 68.15 67.64 2crq h THR 91 CO 0.00 0.00 0.12 0.00 -0.25 0.00 0.00 175.52 175.39 2crq s ALA 92 N -3.20 -1.51 0.20 6.62 0.00 -0.83 -2.36 121.76 120.68 2crq s ALA 92 Ca 0.08 0.76 0.06 0.00 0.00 0.00 0.00 51.96 52.86 2crq s ALA 92 Cb 0.11 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 2crq s ALA 92 CO 0.54 -0.53 0.16 -1.54 0.00 0.00 0.00 175.76 174.39 2crq s SER 93 N -1.95 5.53 -0.09 0.00 1.04 -1.05 0.22 113.70 117.40 2crq s SER 93 Ca -0.05 -0.17 -0.11 0.00 0.48 0.00 0.00 55.95 56.10 2crq s SER 93 Cb -0.01 -1.43 0.03 0.00 0.10 0.00 0.00 66.02 64.71 2crq s SER 93 CO -0.01 0.03 0.29 -0.32 0.98 0.00 0.00 173.24 174.20 2crq s MET 94 N -3.39 0.39 0.25 4.02 0.00 -1.02 -2.27 119.30 117.28 2crq s MET 94 Ca 0.32 0.29 -0.21 0.00 0.00 0.00 0.00 55.69 56.09 2crq s MET 94 Cb -0.09 0.19 0.03 0.00 0.00 0.00 0.00 34.83 34.95 2crq s MET 94 CO 0.24 -0.06 0.67 0.00 0.00 0.00 0.00 175.02 175.87 2crq s VAL 96 N -3.89 1.58 0.02 0.00 1.01 -1.15 -0.47 120.40 117.50 2crq s VAL 96 Ca 0.10 -2.13 0.03 0.00 0.00 0.00 0.00 61.98 59.97 2crq s VAL 96 Cb -0.04 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 2crq s VAL 96 CO 0.03 -0.38 -0.10 -0.36 0.00 0.00 0.00 175.10 174.28 2crq s PHE 97 N -3.06 0.86 0.07 5.22 0.40 -1.05 -2.85 117.98 117.56 2crq s PHE 97 Ca 0.27 -0.30 -0.02 0.00 -0.60 0.00 0.00 56.93 56.28 2crq s PHE 97 Cb 0.03 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 2crq s PHE 97 CO 0.10 -0.01 0.02 -0.98 0.70 0.00 0.00 175.22 175.05 2crq s ARG 98 N -0.88 0.71 0.39 0.44 1.70 -1.09 -3.86 118.95 116.37 2crq s ARG 98 Ca -0.01 -1.23 -0.23 0.00 -0.47 0.00 0.00 55.73 53.78 2crq s ARG 98 Cb -0.06 0.24 -0.10 0.00 -0.57 0.00 0.00 34.95 34.45 2crq s ARG 98 CO 0.00 -0.16 0.99 -1.58 -1.08 0.00 0.00 175.30 173.47 2crq s HIS 99 N -3.94 3.39 -0.83 5.89 5.65 -1.26 -0.53 115.29 123.66 2crq s HIS 99 Ca 0.10 1.67 -0.25 0.00 0.25 0.00 0.00 55.06 56.84 2crq s HIS 99 Cb 0.07 -2.98 -0.03 0.00 -1.18 0.00 0.00 32.58 28.47 2crq s HIS 99 CO -0.08 -0.24 1.83 -0.51 -0.65 0.00 0.00 174.74 175.10 2crq s LEU 100 N -2.68 3.24 0.00 8.88 1.43 -1.23 -4.74 118.68 123.58 2crq s LEU 100 Ca 0.57 -0.48 0.23 0.00 -1.03 0.00 0.00 54.13 53.43 2crq s LEU 100 Cb -0.17 -2.55 0.57 0.00 0.03 0.00 0.00 46.19 44.06 2crq s LEU 100 CO 0.22 -2.46 1.47 -1.54 0.23 0.00 0.00 176.35 174.26 2crq n SER 101 N 12.85 2.53 -3.60 2.29 3.41 -1.26 -4.77 113.62 125.07 2crq n SER 101 Ca 0.32 -1.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.00 2crq n SER 101 Cb 0.49 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 2crq n SER 101 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2crq s LYS 102 N -1.78 0.52 -1.39 4.33 2.20 -1.26 -4.96 119.74 117.40 2crq s LYS 102 Ca 0.34 0.22 -0.07 0.00 -0.36 0.00 0.00 55.97 56.11 2crq s LYS 102 Cb 0.20 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.81 2crq s LYS 102 CO 0.30 -0.14 0.51 1.17 -0.36 0.00 0.00 175.35 176.83 2crq n LYS 103 N 1.05 -3.96 -1.15 4.03 4.81 -1.26 -4.92 118.16 116.75 2crq n LYS 103 Ca -0.10 0.67 -0.32 0.00 -0.87 0.00 0.00 58.31 57.69 2crq n LYS 103 Cb 0.57 -5.44 0.11 0.00 0.02 0.00 0.00 35.03 30.30 2crq n LYS 103 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2crq s GLU 104 N -5.82 1.86 -0.66 1.64 -1.05 -1.26 -4.77 118.70 108.65 2crq s GLU 104 Ca 0.33 1.44 -0.36 0.00 -0.15 0.00 0.00 54.97 56.23 2crq s GLU 104 Cb -0.16 -1.83 -0.18 0.00 -0.44 0.00 0.00 34.13 31.52 2crq s GLU 104 CO 0.41 -1.98 2.38 0.39 0.95 0.00 0.00 175.26 177.41 2crq n GLU 105 N -3.49 0.28 -1.42 -4.83 -0.58 -1.26 -4.68 120.64 104.66 2crq n GLU 105 Ca 0.11 0.05 -0.55 0.00 -0.42 0.00 0.00 57.16 56.35 2crq n GLU 105 Cb 0.52 -1.84 -0.08 0.00 -0.57 0.00 0.00 31.44 29.47 2crq n GLU 105 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2crq n LYS 106 N 8.12 0.00 -4.02 3.49 4.81 -1.26 -4.91 118.16 124.38 2crq n LYS 106 Ca 0.55 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.89 2crq n LYS 106 Cb 0.08 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 2crq n LYS 106 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 2crq s SER 107 N 2.01 -0.01 0.15 3.14 0.01 -1.26 -5.16 113.70 112.57 2crq s SER 107 Ca 0.85 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.99 2crq s SER 107 Cb -1.22 0.57 -0.07 0.00 0.21 0.00 0.00 66.02 65.52 2crq s SER 107 CO 0.64 -1.12 0.50 -0.83 0.41 0.00 0.00 173.24 172.84 2crq s GLY 108 N -3.05 2.38 -0.56 3.44 0.00 -1.26 -5.01 107.32 103.26 2crq s GLY 108 Ca 0.25 -0.25 -0.27 0.00 0.00 0.00 0.00 44.72 44.45 2crq s GLY 108 CO 0.10 -0.03 1.83 2.56 0.00 0.00 0.00 173.10 177.57 2crq s PRO 109 N -2.19 2.78 -1.24 2.90 0.04 -1.26 -3.91 135.00 132.12 2crq s PRO 109 Ca 0.39 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.11 2crq s PRO 109 Cb -0.14 -4.34 0.08 0.00 0.04 0.00 0.00 34.50 30.14 2crq s PRO 109 CO 0.20 -2.54 0.20 0.45 0.04 0.00 0.00 177.00 175.34 2crq n SER 110 N 12.20 -0.23 -4.56 6.66 2.88 -1.26 -4.62 113.62 124.69 2crq n SER 110 Ca 0.21 -0.92 -0.13 0.00 -1.33 0.00 0.00 58.87 56.69 2crq n SER 110 Cb 0.51 -1.16 -0.10 0.00 -0.75 0.00 0.00 64.21 62.71 2crq n SER 110 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crq n SER 111 N -1.82 1.39 0.00 -3.46 7.64 -1.25 -5.09 113.62 111.03 2crq n SER 111 Ca -0.09 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.66 2crq n SER 111 Cb 0.43 -1.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64