#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 -0.05 -0.19 1.61 0.15 -1.26 -5.18 113.70 108.78 2crq s SER 2 Ca 0.00 -0.85 -0.17 0.00 0.70 0.00 0.00 55.95 55.63 2crq s SER 2 Cb 0.00 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 2crq s SER 2 CO 0.00 -1.00 0.51 -0.44 1.20 0.00 0.00 173.24 173.52 2crq s SER 3 N -2.98 -0.55 0.00 5.45 0.01 -1.26 -5.15 113.70 109.23 2crq s SER 3 Ca 0.19 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2crq s SER 3 Cb 0.01 1.04 0.00 0.00 0.21 0.00 0.00 66.02 67.29 2crq s SER 3 CO 0.03 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.11 2crq n GLY 4 N 2.98 3.24 3.62 3.44 0.00 -1.26 -5.18 105.19 112.03 2crq n GLY 4 Ca -0.14 -0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 3.82 -0.23 1.61 1.04 -1.26 -5.13 113.70 113.55 2crq s SER 5 Ca 0.00 -1.39 0.01 0.00 0.48 0.00 0.00 55.95 55.05 2crq s SER 5 Cb 0.00 -0.32 0.04 0.00 0.10 0.00 0.00 66.02 65.83 2crq s SER 5 CO 0.00 -0.48 -0.12 -0.55 0.98 0.00 0.00 173.24 173.06 2crq s SER 6 N -3.71 3.99 -0.20 7.02 0.15 -1.26 -5.09 113.70 114.60 2crq s SER 6 Ca 0.33 -1.01 -0.16 0.00 0.70 0.00 0.00 55.95 55.81 2crq s SER 6 Cb 0.09 -1.56 0.05 0.00 -1.71 0.00 0.00 66.02 62.90 2crq s SER 6 CO 0.17 -0.11 0.51 -0.83 1.20 0.00 0.00 173.24 174.18 2crq s GLY 7 N 1.23 -0.40 0.79 9.45 0.00 -1.26 -5.16 107.32 111.96 2crq s GLY 7 Ca -0.02 1.57 -0.11 0.00 0.00 0.00 0.00 44.72 46.16 2crq s GLY 7 CO -0.07 1.46 1.09 2.56 0.00 0.00 0.00 173.10 178.14 2crq s PRO 8 N 0.64 2.13 -0.03 2.90 0.04 -1.26 -5.07 135.00 134.36 2crq s PRO 8 Ca -0.03 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.17 2crq s PRO 8 Cb -0.05 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.61 2crq s PRO 8 CO -0.04 -1.72 -0.12 -1.59 0.04 0.00 0.00 177.00 173.57 2crq s LYS 9 N -4.91 1.20 0.34 4.56 -2.85 -1.26 -5.15 119.74 111.67 2crq s LYS 9 Ca 0.61 -0.41 0.04 0.00 -1.00 0.00 0.00 55.97 55.22 2crq s LYS 9 Cb -0.17 -1.09 -0.07 0.00 -2.06 0.00 0.00 37.83 34.44 2crq s LYS 9 CO 0.56 0.17 0.05 0.95 0.10 0.00 0.00 175.35 177.18 2crq s THR 10 N 0.10 1.34 -0.04 3.79 -4.23 -1.26 -5.17 115.64 110.17 2crq s THR 10 Ca -0.02 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.36 2crq s THR 10 Cb -0.09 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.95 2crq s THR 10 CO 0.01 -0.01 0.29 -0.83 -0.54 0.00 0.00 174.62 173.54 2crq s GLY 11 N -3.52 -0.15 1.18 3.99 0.00 -1.26 -5.17 107.32 102.38 2crq s GLY 11 Ca 0.36 0.45 -0.18 0.00 0.00 0.00 0.00 44.72 45.34 2crq s GLY 11 CO 0.16 0.27 1.11 2.56 0.00 0.00 0.00 173.10 177.20 2crq s PRO 12 N -0.86 -1.04 0.09 2.90 0.04 -1.26 -4.96 135.00 129.92 2crq s PRO 12 Ca -0.09 0.00 -0.31 0.00 0.04 0.00 0.00 61.00 60.64 2crq s PRO 12 Cb -0.05 -1.61 -0.08 0.00 0.04 0.00 0.00 34.50 32.81 2crq s PRO 12 CO 0.03 -3.60 1.42 0.99 0.04 0.00 0.00 177.00 175.88 2crq s THR 13 N -3.00 3.32 -0.02 1.26 2.01 -1.26 -5.01 115.64 112.94 2crq s THR 13 Ca 0.70 0.90 -0.13 0.00 0.31 0.00 0.00 61.69 63.47 2crq s THR 13 Cb -0.11 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.84 2crq s THR 13 CO 0.56 0.05 0.27 -0.32 -0.69 0.00 0.00 174.62 174.49 2crq s MET 14 N 1.48 0.59 -0.05 4.92 0.00 -1.26 -5.16 119.30 119.82 2crq s MET 14 Ca 0.66 -0.17 0.06 0.00 0.00 0.00 0.00 55.69 56.23 2crq s MET 14 Cb -0.36 0.26 -0.01 0.00 0.00 0.00 0.00 34.83 34.72 2crq s MET 14 CO 0.30 -0.15 -0.23 0.99 0.00 0.00 0.00 175.02 175.92 2crq s THR 15 N -1.18 1.90 0.19 10.11 2.01 -1.26 -4.53 115.64 122.88 2crq s THR 15 Ca -0.12 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 60.96 2crq s THR 15 Cb -0.05 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2crq s THR 15 CO 0.03 0.53 0.01 -0.54 -0.69 0.00 0.00 174.62 173.96 2crq s LYS 16 N -0.22 2.41 -0.00 4.92 -0.14 -1.11 -5.03 119.74 120.56 2crq s LYS 16 Ca -0.01 -1.15 -0.03 0.00 -1.36 0.00 0.00 55.97 53.42 2crq s LYS 16 Cb -0.12 -2.34 -0.00 0.00 -1.68 0.00 0.00 37.83 33.69 2crq s LYS 16 CO 0.02 0.44 0.05 -1.21 -0.76 0.00 0.00 175.35 173.90 2crq s GLU 17 N -3.08 0.27 -0.08 1.68 8.01 -1.26 -1.68 118.70 122.56 2crq s GLU 17 Ca 0.28 -0.27 0.01 0.00 0.01 0.00 0.00 54.97 55.00 2crq s GLU 17 Cb -0.09 0.11 0.02 0.00 -4.31 0.00 0.00 34.13 29.86 2crq s GLU 17 CO 0.19 -0.05 -0.10 -1.17 0.01 0.00 0.00 175.26 174.14 2crq s LEU 18 N -0.85 1.46 -0.05 1.80 2.96 -0.70 -4.91 118.68 118.39 2crq s LEU 18 Ca -0.09 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 2crq s LEU 18 Cb -0.06 -0.78 -0.00 0.00 0.50 0.00 0.00 46.19 45.85 2crq s LEU 18 CO 0.00 -0.03 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.13 2crq s VAL 19 N 1.02 1.57 -0.16 1.68 1.01 -1.26 -1.66 120.40 122.60 2crq s VAL 19 Ca -0.08 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 2crq s VAL 19 Cb -0.15 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.95 2crq s VAL 19 CO -0.00 0.45 0.69 0.72 0.00 0.00 0.00 175.10 176.95 2crq s PHE 20 N 0.09 -0.71 0.70 5.22 -0.71 -1.16 -5.02 117.98 116.38 2crq s PHE 20 Ca -0.06 1.51 -0.16 0.00 -1.04 0.00 0.00 56.93 57.17 2crq s PHE 20 Cb -0.13 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2crq s PHE 20 CO 0.03 -0.48 1.23 -1.12 -1.34 0.00 0.00 175.22 173.53 2crq s SER 21 N -0.39 4.40 0.52 1.98 0.01 -1.26 -1.63 113.70 117.33 2crq s SER 21 Ca -0.05 2.42 0.33 0.00 1.31 0.00 0.00 55.95 59.95 2crq s SER 21 Cb -0.03 -2.60 1.36 0.00 0.21 0.00 0.00 66.02 64.96 2crq s SER 21 CO 0.05 -2.13 1.96 -1.28 0.41 0.00 0.00 173.24 172.26 2crq h SER 22 N 0.03 0.00 -0.63 2.44 0.87 -1.28 -3.17 113.55 111.81 2crq h SER 22 Ca -0.49 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 59.71 2crq h SER 22 Cb 1.31 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.13 2crq h SER 22 CO 0.51 0.00 0.24 -3.20 -0.53 0.00 0.00 176.83 173.85 2crq n ASN 23 N -2.97 6.18 -4.76 6.23 2.85 -1.26 -4.91 115.26 116.62 2crq n ASN 23 Ca 0.01 -2.98 -0.36 0.00 -0.11 0.00 0.00 54.58 51.14 2crq n ASN 23 Cb 0.29 -1.21 -0.08 0.00 1.24 0.00 0.00 39.78 40.02 2crq n ASN 23 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2crq s ILE 24 N -1.55 5.27 1.07 -1.44 2.07 -1.20 -5.10 121.20 120.32 2crq s ILE 24 Ca 0.48 0.13 -0.15 0.00 -1.41 0.00 0.00 60.65 59.70 2crq s ILE 24 Cb 0.30 -3.35 0.22 0.00 0.13 0.00 0.00 42.46 39.76 2crq s ILE 24 CO -0.10 0.51 1.12 -0.83 -1.91 0.00 0.00 174.94 173.73 2crq s GLY 25 N -0.18 1.58 0.13 1.50 0.00 -1.26 -4.82 107.32 104.27 2crq s GLY 25 Ca 0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 2crq s GLY 25 CO 0.01 0.05 1.40 -1.61 0.00 0.00 0.00 173.10 172.95 2crq h GLN 26 N -2.11 0.82 -1.00 2.90 5.75 -1.98 -1.21 115.11 118.27 2crq h GLN 26 Ca -0.50 -0.55 0.12 0.00 -0.15 0.00 0.00 58.65 57.57 2crq h GLN 26 Cb 1.31 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 29.86 2crq h GLN 26 CO 0.48 1.18 0.63 1.25 -2.65 0.00 0.00 178.83 179.73 2crq h HIS 27 N 0.61 1.15 0.24 3.99 2.76 -2.01 0.15 115.15 122.04 2crq h HIS 27 Ca -0.00 0.03 -0.33 0.00 -2.20 0.00 0.00 60.37 57.87 2crq h HIS 27 Cb 1.21 -0.37 0.03 0.00 1.55 0.00 0.00 27.41 29.84 2crq h HIS 27 CO 0.07 0.46 -1.51 0.22 -1.30 0.00 0.00 177.93 175.87 2crq h ASP 28 N 1.00 0.78 -0.01 3.26 1.82 -1.92 -3.36 116.42 117.99 2crq h ASP 28 Ca 0.49 -0.93 0.01 0.00 -0.39 0.00 0.00 57.03 56.22 2crq h ASP 28 Cb 0.48 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 2crq h ASP 28 CO -0.26 1.72 -0.05 0.25 -1.61 0.00 0.00 179.24 179.28 2crq h LEU 29 N 0.11 -0.16 -0.96 2.28 5.85 -0.61 -1.96 115.31 119.86 2crq h LEU 29 Ca -0.27 0.03 0.28 0.00 0.84 0.00 0.00 57.88 58.75 2crq h LEU 29 Cb 2.13 0.07 -0.17 0.00 0.37 0.00 0.00 40.66 43.06 2crq h LEU 29 CO 0.25 -0.08 0.16 -0.78 -0.34 0.00 0.00 178.44 177.64 2crq h ASP 30 N -0.09 -0.24 0.12 1.25 3.58 -0.86 0.50 116.42 120.68 2crq h ASP 30 Ca 0.03 0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2crq h ASP 30 Cb 0.13 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2crq h ASP 30 CO -0.07 -0.31 -0.06 0.74 -2.88 0.00 0.00 179.24 176.66 2crq h THR 31 N 0.06 1.07 -0.97 2.25 2.02 -1.59 -3.04 112.91 112.71 2crq h THR 31 Ca 0.62 -1.04 0.23 0.00 0.77 0.00 0.00 66.41 66.99 2crq h THR 31 Cb 1.34 1.70 -0.18 0.00 -1.74 0.00 0.00 68.15 69.27 2crq h THR 31 CO -0.83 0.24 -0.09 0.11 0.37 0.00 0.00 175.52 175.32 2crq h LYS 32 N -0.67 0.01 0.59 6.66 1.79 -0.18 0.90 116.57 125.67 2crq h LYS 32 Ca -0.02 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2crq h LYS 32 Cb 0.51 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 2crq h LYS 32 CO 0.03 0.01 -0.28 0.77 -1.08 0.00 0.00 179.45 178.89 2crq h SER 33 N 0.01 -0.67 -0.92 0.86 0.02 -1.36 -2.73 113.55 108.75 2crq h SER 33 Ca 0.54 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.66 2crq h SER 33 Cb 0.99 0.17 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 2crq h SER 33 CO -0.95 -0.44 -0.30 0.11 -1.14 0.00 0.00 176.83 174.10 2crq h LYS 34 N -0.84 -0.02 -0.44 3.45 1.57 -0.73 0.42 116.57 119.99 2crq h LYS 34 Ca -0.08 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2crq h LYS 34 Cb 0.62 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.88 2crq h LYS 34 CO 0.13 -0.01 0.11 0.37 -0.57 0.00 0.00 179.45 179.48 2crq h GLN 35 N -0.02 0.24 -0.37 3.15 5.75 -1.25 -2.19 115.11 120.43 2crq h GLN 35 Ca 0.39 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.89 2crq h GLN 35 Cb 0.64 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 2crq h GLN 35 CO -0.94 0.16 0.21 0.82 -2.65 0.00 0.00 178.83 176.43 2crq h ILE 36 N 0.25 1.03 -0.34 2.39 2.04 0.04 -2.91 117.51 120.01 2crq h ILE 36 Ca 0.21 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 66.00 2crq h ILE 36 Cb 0.25 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 36.81 2crq h ILE 36 CO -0.26 0.08 -0.34 -0.61 0.00 0.00 0.00 178.15 177.01 2crq h GLN 37 N 0.43 -0.29 -0.95 2.37 4.15 -0.34 0.16 115.11 120.65 2crq h GLN 37 Ca 0.15 0.02 0.29 0.00 0.77 0.00 0.00 58.65 59.88 2crq h GLN 37 Cb 0.02 0.06 -0.15 0.00 0.21 0.00 0.00 27.48 27.62 2crq h GLN 37 CO -0.08 -0.19 0.35 1.96 -1.93 0.00 0.00 178.83 178.95 2crq h GLN 38 N -0.30 0.19 0.20 1.69 4.20 -1.27 0.58 115.11 120.41 2crq h GLN 38 Ca 0.15 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 2crq h GLN 38 Cb 0.55 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2crq h GLN 38 CO -0.50 0.12 -0.10 -1.49 -0.67 0.00 0.00 178.83 176.19 2crq h TRP 39 N 0.19 -0.25 -0.97 2.96 6.55 -0.99 -3.11 115.95 120.33 2crq h TRP 39 Ca 0.65 -0.01 0.25 0.00 0.95 0.00 0.00 58.89 60.74 2crq h TRP 39 Cb 1.45 0.08 -0.13 0.00 -0.86 0.00 0.00 29.16 29.70 2crq h TRP 39 CO -0.18 0.08 0.52 0.82 -1.05 0.00 0.00 178.44 178.63 2crq h ILE 40 N -0.62 0.46 -0.67 1.49 1.08 0.03 0.11 117.51 119.40 2crq h ILE 40 Ca -0.03 -0.16 0.14 0.00 -0.39 0.00 0.00 64.86 64.43 2crq h ILE 40 Cb 0.45 -0.04 -0.11 0.00 -3.07 0.00 0.00 36.82 34.05 2crq h ILE 40 CO 0.05 0.08 0.09 -0.33 -0.69 0.00 0.00 178.15 177.35 2crq h GLU 41 N 0.46 0.19 -0.98 2.37 5.08 -1.16 0.41 114.58 120.95 2crq h GLU 41 Ca 0.64 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.81 2crq h GLU 41 Cb 1.27 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 30.37 2crq h GLU 41 CO -0.53 0.13 0.23 1.63 -1.00 0.00 0.00 179.01 179.47 2crq n LYS 42 N -5.21 1.64 -4.03 2.33 5.02 0.30 -4.84 118.16 113.37 2crq n LYS 42 Ca 0.11 -1.21 -0.31 0.00 -2.02 0.00 0.00 58.31 54.89 2crq n LYS 42 Cb 0.40 -1.51 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.10 -4.19 -3.27 1.97 4.76 0.14 -4.92 118.16 112.55 2crq n LYS 43 Ca 0.22 0.48 -0.39 0.00 -2.87 0.00 0.00 58.31 55.75 2crq n LYS 43 Cb 0.93 -5.16 -0.08 0.00 -1.84 0.00 0.00 35.03 28.88 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 -3.43 3.29 -0.48 2.13 2.02 -0.76 -4.99 117.35 115.13 2crq s TYR 44 Ca 0.54 0.62 -0.27 0.00 -0.37 0.00 0.00 57.07 57.59 2crq s TYR 44 Cb -0.28 -2.67 -0.03 0.00 -0.40 0.00 0.00 41.96 38.57 2crq s TYR 44 CO 0.88 -0.22 1.97 -1.01 -1.57 0.00 0.00 175.55 175.60 2crq s HIS 45 N 2.07 1.56 -0.33 2.71 3.76 -1.26 -4.10 115.29 119.69 2crq s HIS 45 Ca 0.20 0.88 -0.17 0.00 -0.15 0.00 0.00 55.06 55.82 2crq s HIS 45 Cb -0.16 -3.99 -0.01 0.00 1.11 0.00 0.00 32.58 29.53 2crq s HIS 45 CO 0.09 -2.65 0.47 0.08 -0.85 0.00 0.00 174.74 171.89 2crq s VAL 46 N 8.99 5.06 -0.53 -0.90 1.01 -1.25 -2.75 120.40 130.03 2crq s VAL 46 Ca 0.79 0.35 -0.19 0.00 0.00 0.00 0.00 61.98 62.93 2crq s VAL 46 Cb -0.18 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.37 2crq s VAL 46 CO 0.26 -0.13 0.64 -1.58 0.00 0.00 0.00 175.10 174.29 2crq s GLN 47 N 2.29 3.10 -0.07 2.72 0.74 -0.68 -2.62 119.66 125.13 2crq s GLN 47 Ca 0.17 -1.01 -0.21 0.00 0.05 0.00 0.00 55.36 54.37 2crq s GLN 47 Cb -0.16 -4.14 -0.04 0.00 1.10 0.00 0.00 33.01 29.77 2crq s GLN 47 CO 0.12 -1.30 0.61 0.08 -0.55 0.00 0.00 175.29 174.25 2crq s VAL 48 N 2.63 5.07 -0.25 1.34 1.01 0.52 -1.72 120.40 129.01 2crq s VAL 48 Ca 0.14 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 2crq s VAL 48 Cb -0.21 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.31 2crq s VAL 48 CO 0.10 0.31 0.07 -0.89 0.00 0.00 0.00 175.10 174.69 2crq s THR 49 N 0.57 0.58 -0.27 3.92 2.01 -0.66 -1.29 115.64 120.50 2crq s THR 49 Ca 0.32 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 61.17 2crq s THR 49 Cb -0.17 -1.25 0.01 0.00 0.01 0.00 0.00 72.50 71.10 2crq s THR 49 CO 0.15 -0.43 0.96 -0.63 -0.69 0.00 0.00 174.62 173.98 2crq s ILE 50 N 1.80 4.69 -0.16 1.82 1.01 -1.02 -3.00 121.20 126.33 2crq s ILE 50 Ca 0.04 1.72 -0.24 0.00 0.00 0.00 0.00 60.65 62.17 2crq s ILE 50 Cb -0.17 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.01 2crq s ILE 50 CO -0.18 -0.25 0.79 -0.54 0.00 0.00 0.00 174.94 174.77 2crq s LYS 51 N 3.20 4.30 -0.25 2.79 -0.14 -0.64 -2.75 119.74 126.25 2crq s LYS 51 Ca 0.41 0.94 -0.18 0.00 -1.36 0.00 0.00 55.97 55.78 2crq s LYS 51 Cb -0.14 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.42 2crq s LYS 51 CO 0.10 -0.27 0.50 1.03 -0.76 0.00 0.00 175.35 175.95 2crq s ARG 52 N 1.97 4.08 1.29 1.68 1.81 -1.26 -0.78 118.95 127.74 2crq s ARG 52 Ca 0.37 0.31 -0.19 0.00 -1.72 0.00 0.00 55.73 54.49 2crq s ARG 52 Cb -0.17 -3.64 0.32 0.00 -0.45 0.00 0.00 34.95 31.02 2crq s ARG 52 CO 0.13 -0.31 1.01 1.03 -0.68 0.00 0.00 175.30 176.48 2crq s ARG 53 N 2.17 -1.88 0.01 3.54 0.52 -1.26 -4.95 118.95 117.10 2crq s ARG 53 Ca 0.21 0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 55.64 2crq s ARG 53 Cb -0.16 -1.49 -0.26 0.00 0.52 0.00 0.00 34.95 33.56 2crq s ARG 53 CO 0.09 -4.21 0.88 -0.22 0.02 0.00 0.00 175.30 171.87 2crq h LYS 54 N -2.94 0.20 -0.63 3.54 3.64 -2.03 -3.37 116.57 114.98 2crq h LYS 54 Ca -0.48 -0.33 -0.43 0.00 -1.27 0.00 0.00 60.65 58.13 2crq h LYS 54 Cb 1.33 0.12 -0.42 0.00 -0.41 0.00 0.00 32.23 32.85 2crq h LYS 54 CO 0.36 1.04 -0.93 -3.47 -2.27 0.00 0.00 179.45 174.18 2crq n ASP 55 N -3.40 3.64 -4.69 4.20 -0.08 -1.26 -5.09 116.55 109.87 2crq n ASP 55 Ca -0.15 -3.09 -0.40 0.00 -1.51 0.00 0.00 54.79 49.64 2crq n ASP 55 Cb 1.03 -0.39 0.02 0.00 2.34 0.00 0.00 41.12 44.12 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 -0.67 1.12 0.38 -1.67 0.00 -1.26 -4.87 120.51 113.54 2crq n ALA 56 Ca 0.30 0.21 0.03 0.00 0.00 0.00 0.00 53.44 53.98 2crq n ALA 56 Cb 0.90 -2.25 0.16 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.22 2.42 -4.29 0.00 0.28 -1.26 -4.86 120.64 112.71 2crq n GLU 57 Ca 0.08 -1.23 -0.16 0.00 -0.16 0.00 0.00 57.16 55.70 2crq n GLU 57 Cb 0.41 -1.72 -0.10 0.00 1.43 0.00 0.00 31.44 31.47 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 -1.69 1.18 0.13 3.44 -0.21 -1.26 -5.16 119.66 116.09 2crq s GLN 58 Ca 0.21 -1.52 0.04 0.00 0.02 0.00 0.00 55.36 54.12 2crq s GLN 58 Cb 0.16 -0.85 -0.04 0.00 1.00 0.00 0.00 33.01 33.28 2crq s GLN 58 CO 0.07 0.12 0.13 0.45 -2.12 0.00 0.00 175.29 173.95 2crq s SER 59 N -3.24 5.62 0.32 5.90 0.15 -1.26 -4.98 113.70 116.22 2crq s SER 59 Ca 0.19 -0.04 0.20 0.00 0.70 0.00 0.00 55.95 57.00 2crq s SER 59 Cb 0.01 -1.52 1.13 0.00 -1.71 0.00 0.00 66.02 63.94 2crq s SER 59 CO 0.03 0.11 1.28 -1.84 1.20 0.00 0.00 173.24 174.02 2crq n GLU 60 N -0.02 -0.04 -0.28 5.44 -0.00 -1.26 0.26 120.64 124.74 2crq n GLU 60 Ca -0.08 1.09 -0.04 0.00 -0.00 0.00 0.00 57.16 58.13 2crq n GLU 60 Cb 0.53 -2.01 0.01 0.00 -0.00 0.00 0.00 31.44 29.98 2crq n GLU 60 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2crq h GLU 61 N 0.00 -0.09 0.05 3.44 4.39 -2.01 -0.21 114.58 120.15 2crq h GLU 61 Ca 0.70 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.41 2crq h GLU 61 Cb 1.98 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 2crq h GLU 61 CO -0.54 -0.06 -0.09 0.93 -1.16 0.00 0.00 179.01 178.08 2crq h GLU 62 N -0.10 -0.18 -0.88 2.33 3.07 -0.58 -1.45 114.58 116.80 2crq h GLU 62 Ca 0.27 0.01 0.16 0.00 -0.50 0.00 0.00 59.36 59.30 2crq h GLU 62 Cb 0.57 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.36 2crq h GLU 62 CO -0.82 -0.12 -0.28 2.41 -1.40 0.00 0.00 179.01 178.81 2crq n THR 63 N -5.21 -0.41 -0.04 1.13 -1.04 -0.12 -0.00 114.28 108.58 2crq n THR 63 Ca -0.07 2.03 -0.14 0.00 -2.04 0.00 0.00 64.05 63.84 2crq n THR 63 Cb 0.14 -2.75 -0.08 0.00 -1.82 0.00 0.00 70.33 65.82 2crq n THR 63 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2crq h GLU 64 N 0.00 0.30 -0.99 -2.82 4.39 -1.22 -3.19 114.58 111.05 2crq h GLU 64 Ca 0.37 -0.19 0.27 0.00 0.34 0.00 0.00 59.36 60.15 2crq h GLU 64 Cb 0.59 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 29.12 2crq h GLU 64 CO -0.89 0.78 0.56 0.93 -1.16 0.00 0.00 179.01 179.23 2crq h GLU 65 N -0.14 0.45 -0.21 2.33 5.08 0.68 -0.22 114.58 122.54 2crq h GLU 65 Ca 0.01 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2crq h GLU 65 Cb 0.76 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.84 2crq h GLU 65 CO 0.04 0.30 -0.24 0.82 -1.00 0.00 0.00 179.01 178.93 2crq h ILE 66 N 0.46 0.40 -1.32 3.13 2.04 -0.84 -0.55 117.51 120.83 2crq h ILE 66 Ca 0.67 0.00 0.45 0.00 1.00 0.00 0.00 64.86 66.98 2crq h ILE 66 Cb 1.37 0.40 -0.13 0.00 -0.74 0.00 0.00 36.82 37.72 2crq h ILE 66 CO -0.53 0.00 0.85 0.49 0.00 0.00 0.00 178.15 178.96 2crq n PHE 67 N -5.37 0.61 0.07 1.37 3.72 -0.10 0.20 117.46 117.96 2crq n PHE 67 Ca -0.01 0.62 -0.21 0.00 -0.05 0.00 0.00 57.45 57.79 2crq n PHE 67 Cb 0.29 -1.05 -0.13 0.00 -0.94 0.00 0.00 39.48 37.65 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 0.76 -0.54 4.37 2.35 -1.19 -3.10 115.58 118.23 2crq h ASN 68 Ca 0.82 -0.83 0.16 0.00 -0.55 0.00 0.00 56.30 55.90 2crq h ASN 68 Cb 2.69 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 40.80 2crq h ASN 68 CO -0.41 1.51 0.40 1.56 -1.65 0.00 0.00 177.43 178.84 2crq h GLN 69 N 0.12 0.00 0.10 0.81 4.20 0.25 0.82 115.11 121.41 2crq h GLN 69 Ca -0.16 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.29 2crq h GLN 69 Cb 1.76 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 2crq h GLN 69 CO 0.20 0.00 -1.19 0.82 -0.67 0.00 0.00 178.83 177.99 2crq h ILE 70 N 0.00 1.55 0.00 2.54 2.04 -1.39 -3.26 117.51 118.98 2crq h ILE 70 Ca 0.26 -3.15 -0.09 0.00 1.00 0.00 0.00 64.86 62.88 2crq h ILE 70 Cb 1.05 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 2crq h ILE 70 CO -0.00 0.91 -0.45 0.25 0.00 0.00 0.00 178.15 178.86 2crq h LEU 71 N 0.06 0.00 -0.67 1.44 5.85 -0.83 -2.90 115.31 118.25 2crq h LEU 71 Ca -0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.61 2crq h LEU 71 Cb 1.93 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.96 2crq h LEU 71 CO 0.19 0.45 0.08 0.00 -0.34 0.00 0.00 178.44 178.81 2crq n GLN 72 N -3.62 0.07 -0.01 1.25 1.13 -0.29 -0.14 117.38 115.77 2crq n GLN 72 Ca -0.01 0.53 0.02 0.00 -1.94 0.00 0.00 57.00 55.60 2crq n GLN 72 Cb 0.54 -1.79 -0.12 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.84 0.85 -2.56 5.09 -2.24 -1.09 -4.45 114.28 108.02 2crq n THR 73 Ca -0.01 -0.67 -0.13 0.00 -2.27 0.00 0.00 64.05 60.97 2crq n THR 73 Cb 0.09 -0.42 0.03 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.65 2.19 0.00 -0.78 -0.00 0.81 -4.86 117.12 111.83 2crq n MET 74 Ca -0.13 -3.75 0.07 0.00 -0.00 0.00 0.00 57.70 53.89 2crq n MET 74 Cb 0.82 -1.72 0.34 0.00 -0.00 0.00 0.00 33.22 32.65 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 -0.39 0.11 0.00 3.17 -0.04 0.23 0.61 135.00 138.70 2crq n PRO 75 Ca 0.21 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 2crq n PRO 75 Cb 0.80 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.39 0.80 0.00 3.54 8.00 -1.26 -4.74 116.55 121.50 2crq n ASP 76 Ca 0.05 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.37 2crq n ASP 76 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crq n ILE 77 N -0.09 0.00 -4.13 0.53 3.06 -1.00 -3.14 119.36 114.58 2crq n ILE 77 Ca 0.00 0.00 -0.09 0.00 -2.50 0.00 0.00 62.75 60.16 2crq n ILE 77 Cb 0.17 0.29 -0.10 0.00 0.54 0.00 0.00 39.64 40.54 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 -1.29 0.76 0.24 1.51 0.00 0.20 -1.84 121.76 121.35 2crq s ALA 78 Ca 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.57 2crq s ALA 78 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 2crq s ALA 78 CO 0.00 -0.31 0.40 -0.08 0.00 0.00 0.00 175.76 175.77 2crq s THR 79 N -3.78 0.00 -0.59 0.00 -1.32 -0.72 -4.38 115.64 104.84 2crq s THR 79 Ca 0.10 -1.55 -0.27 0.00 -1.21 0.00 0.00 61.69 58.77 2crq s THR 79 Cb 0.07 -2.28 -0.02 0.00 -1.51 0.00 0.00 72.50 68.76 2crq s THR 79 CO -0.07 0.00 1.83 -0.36 -2.21 0.00 0.00 174.62 173.81 2crq s PHE 80 N -4.03 1.71 -0.08 9.09 0.08 -1.26 -2.84 117.98 120.64 2crq s PHE 80 Ca 0.26 0.75 -0.26 0.00 0.12 0.00 0.00 56.93 57.80 2crq s PHE 80 Cb 0.01 -4.12 -0.25 0.00 -0.57 0.00 0.00 43.02 38.10 2crq s PHE 80 CO 0.10 -2.33 0.94 1.03 -0.10 0.00 0.00 175.22 174.86 2crq h SER 81 N 14.56 0.12 -3.30 1.36 0.87 -1.79 -3.43 113.55 121.93 2crq h SER 81 Ca -0.27 -0.84 -0.58 0.00 -1.23 0.00 0.00 61.79 58.87 2crq h SER 81 Cb 1.16 -0.04 -0.40 0.00 -0.44 0.00 0.00 62.40 62.68 2crq h SER 81 CO 1.20 0.95 -0.76 -0.55 -0.53 0.00 0.00 176.83 177.15 2crq s SER 82 N -6.25 3.86 0.13 6.23 0.15 -1.12 -4.96 113.70 111.74 2crq s SER 82 Ca -0.17 -1.46 -0.33 0.00 0.70 0.00 0.00 55.95 54.70 2crq s SER 82 Cb -0.01 -0.93 -0.18 0.00 -1.71 0.00 0.00 66.02 63.20 2crq s SER 82 CO 0.72 -0.36 0.85 -1.14 1.20 0.00 0.00 173.24 174.50 2crq n ARG 83 N 4.80 0.28 -2.21 5.44 3.00 -1.26 -3.58 116.66 123.14 2crq n ARG 83 Ca -0.04 0.10 -0.42 0.00 -0.00 0.00 0.00 57.85 57.49 2crq n ARG 83 Cb 0.43 -1.38 -0.03 0.00 0.00 0.00 0.00 32.46 31.49 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 -0.57 4.36 0.05 -0.14 0.04 -1.26 -4.81 135.00 132.67 2crq s PRO 84 Ca 0.75 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.81 2crq s PRO 84 Cb -1.02 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 2crq s PRO 84 CO 0.56 -0.35 -0.02 -1.59 0.04 0.00 0.00 177.00 175.64 2crq s LYS 85 N 0.62 0.63 -0.15 4.56 0.00 -1.21 -4.96 119.74 119.23 2crq s LYS 85 Ca 0.61 -1.21 -0.29 0.00 0.00 0.00 0.00 55.97 55.07 2crq s LYS 85 Cb -0.36 0.22 -0.03 0.00 0.00 0.00 0.00 37.83 37.65 2crq s LYS 85 CO 0.33 -0.12 1.57 0.00 0.00 0.00 0.00 175.35 177.13 2crq s ALA 86 N -3.92 3.46 0.21 0.59 0.00 -1.26 -3.29 121.76 117.55 2crq s ALA 86 Ca 0.07 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.74 2crq s ALA 86 Cb 0.08 -3.78 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 2crq s ALA 86 CO -0.10 -1.63 0.06 0.96 0.00 0.00 0.00 175.76 175.06 2crq s ILE 87 N 4.52 3.94 -1.08 0.00 -4.36 -0.68 -4.56 121.20 118.98 2crq s ILE 87 Ca 0.69 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.58 2crq s ILE 87 Cb -0.27 -3.05 0.00 0.00 1.25 0.00 0.00 42.46 40.39 2crq s ILE 87 CO 0.27 -0.23 0.92 0.54 0.24 0.00 0.00 174.94 176.68 2crq n ARG 88 N -0.58 -6.13 0.00 0.37 1.74 -1.26 -2.65 116.66 108.16 2crq n ARG 88 Ca -0.08 0.73 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2crq n ARG 88 Cb 0.57 -5.41 0.00 0.00 -1.02 0.00 0.00 32.46 26.59 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 -1.35 1.89 0.00 -0.13 0.00 -1.26 -3.97 105.19 100.36 2crq n GLY 89 Ca -0.16 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.30 -0.02 0.00 -1.08 -5.04 105.19 99.35 2crq n GLY 90 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.38 -4.25 2.61 -1.04 -1.13 -4.94 114.28 106.92 2crq n THR 91 Ca 0.00 0.06 -0.25 0.00 -2.04 0.00 0.00 64.05 61.83 2crq n THR 91 Cb 0.00 -2.08 -0.08 0.00 -1.82 0.00 0.00 70.33 66.35 2crq n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2crq s ALA 92 N -2.63 3.37 0.24 2.41 0.00 -1.24 -4.34 121.76 119.57 2crq s ALA 92 Ca -0.25 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 49.78 2crq s ALA 92 Cb 0.05 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2crq s ALA 92 CO 0.35 -0.02 0.10 -1.12 0.00 0.00 0.00 175.76 175.07 2crq s SER 93 N -3.80 5.12 -0.07 0.00 0.01 -1.11 -1.69 113.70 112.17 2crq s SER 93 Ca 0.37 -0.38 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 2crq s SER 93 Cb 0.01 -1.19 0.03 0.00 0.21 0.00 0.00 66.02 65.09 2crq s SER 93 CO 0.21 0.00 0.16 -0.32 0.41 0.00 0.00 173.24 173.70 2crq s MET 94 N -3.60 0.14 -0.14 12.44 0.00 -1.21 -2.44 119.30 124.49 2crq s MET 94 Ca 0.31 0.34 -0.25 0.00 0.00 0.00 0.00 55.69 56.09 2crq s MET 94 Cb -0.08 -0.08 0.06 0.00 0.00 0.00 0.00 34.83 34.73 2crq s MET 94 CO 0.22 -0.12 0.63 0.00 0.00 0.00 0.00 175.02 175.76 2crq s VAL 96 N -0.45 3.54 0.00 0.00 1.01 -1.23 -0.36 120.40 122.92 2crq s VAL 96 Ca -0.06 -1.80 0.07 0.00 0.00 0.00 0.00 61.98 60.19 2crq s VAL 96 Cb -0.03 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2crq s VAL 96 CO 0.05 -0.32 -0.21 -0.36 0.00 0.00 0.00 175.10 174.25 2crq s PHE 97 N -2.19 1.91 0.25 5.22 0.08 -1.08 -2.29 117.98 119.88 2crq s PHE 97 Ca 0.31 -0.37 0.07 0.00 0.12 0.00 0.00 56.93 57.06 2crq s PHE 97 Cb -0.07 -1.20 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2crq s PHE 97 CO 0.20 0.01 -0.09 -0.98 -0.10 0.00 0.00 175.22 174.26 2crq s ARG 98 N -0.73 1.46 0.50 0.44 1.70 -1.13 -3.90 118.95 117.29 2crq s ARG 98 Ca 0.08 -1.71 -0.19 0.00 -0.47 0.00 0.00 55.73 53.45 2crq s ARG 98 Cb -0.08 -1.13 -0.08 0.00 -0.57 0.00 0.00 34.95 33.08 2crq s ARG 98 CO 0.00 0.09 1.02 -1.58 -1.08 0.00 0.00 175.30 173.75 2crq s HIS 99 N -3.00 3.14 -1.23 5.89 5.65 -1.26 -1.76 115.29 122.72 2crq s HIS 99 Ca 0.27 1.55 -0.14 0.00 0.25 0.00 0.00 55.06 56.99 2crq s HIS 99 Cb 0.02 -2.96 0.16 0.00 -1.18 0.00 0.00 32.58 28.62 2crq s HIS 99 CO 0.10 -0.66 1.49 1.28 -0.65 0.00 0.00 174.74 176.30 2crq n LEU 100 N -1.25 5.22 -1.21 8.88 4.77 -0.76 -4.77 117.00 127.86 2crq n LEU 100 Ca 0.08 -4.39 0.01 0.00 -0.03 0.00 0.00 56.01 51.68 2crq n LEU 100 Cb 0.53 -1.63 0.17 0.00 -2.33 0.00 0.00 43.42 40.16 2crq n LEU 100 CO 0.42 0.67 0.59 -1.54 -1.33 0.00 0.00 177.39 176.19 2crq n SER 101 N 5.97 3.22 -2.36 -1.43 3.41 -1.26 -3.16 113.62 118.01 2crq n SER 101 Ca 0.39 -2.48 -0.28 0.00 -0.26 0.00 0.00 58.87 56.24 2crq n SER 101 Cb 0.43 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 2crq n SER 101 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2crq n LYS 102 N 0.21 2.34 -3.91 4.33 5.02 -1.26 -4.79 118.16 120.09 2crq n LYS 102 Ca 0.15 -2.50 -0.30 0.00 -2.02 0.00 0.00 58.31 53.64 2crq n LYS 102 Cb 0.74 -2.04 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2crq n LYS 102 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2crq n LYS 103 N 0.15 -5.50 0.03 1.97 4.01 -1.26 -4.86 118.16 112.70 2crq n LYS 103 Ca 0.47 0.60 -0.00 0.00 -0.51 0.00 0.00 58.31 58.86 2crq n LYS 103 Cb 0.52 -5.47 -0.00 0.00 -0.51 0.00 0.00 35.03 29.57 2crq n LYS 103 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2crq n GLU 104 N -4.67 0.01 -1.53 1.97 1.02 -1.26 -5.06 120.64 111.11 2crq n GLU 104 Ca 0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.81 2crq n GLU 104 Cb 0.53 -0.33 0.07 0.00 -0.02 0.00 0.00 31.44 31.69 2crq n GLU 104 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2crq n GLU 105 N -3.12 0.75 -2.90 3.49 0.00 -1.19 -4.90 120.64 112.77 2crq n GLU 105 Ca -0.00 0.30 -0.43 0.00 0.00 0.00 0.00 57.16 57.02 2crq n GLU 105 Cb 0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 31.44 29.23 2crq n GLU 105 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2crq s LYS 106 N -2.99 3.35 0.51 5.31 2.20 -1.26 -5.01 119.74 121.85 2crq s LYS 106 Ca 0.76 -1.31 0.06 0.00 -0.36 0.00 0.00 55.97 55.12 2crq s LYS 106 Cb -0.39 -4.59 0.01 0.00 -1.51 0.00 0.00 37.83 31.36 2crq s LYS 106 CO 0.48 -1.79 0.34 -1.54 -0.36 0.00 0.00 175.35 172.48 2crq s SER 107 N 3.70 4.62 0.00 1.43 1.04 -1.26 -5.14 113.70 118.08 2crq s SER 107 Ca 0.27 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2crq s SER 107 Cb -0.11 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2crq s SER 107 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2crq n GLY 108 N -1.63 -1.96 0.21 7.32 0.00 -1.26 -4.93 105.19 102.94 2crq n GLY 108 Ca -0.02 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.57 2crq n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crq h PRO 109 N 0.00 0.40 -6.61 1.61 0.13 -2.01 -3.48 132.00 122.05 2crq h PRO 109 Ca 0.00 -0.21 -0.52 0.00 -0.87 0.00 0.00 66.00 64.40 2crq h PRO 109 Cb 0.00 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.04 2crq h PRO 109 CO 0.00 0.77 -0.89 0.45 -0.23 0.00 0.00 178.00 178.09 2crq n SER 110 N -4.00 -0.56 -3.98 1.44 2.88 -1.26 -0.16 113.62 107.98 2crq n SER 110 Ca -0.02 -1.04 -0.30 0.00 -1.33 0.00 0.00 58.87 56.17 2crq n SER 110 Cb 0.52 -2.81 0.01 0.00 -0.75 0.00 0.00 64.21 61.17 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 -2.93 -3.61 0.00 -3.46 7.64 -1.26 -5.28 113.62 104.72 2crq n SER 111 Ca -0.26 -0.87 0.14 0.00 1.01 0.00 0.00 58.87 58.90 2crq n SER 111 Cb 0.66 -3.53 0.84 0.00 -1.01 0.00 0.00 64.21 61.18 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64