#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 1.85 0.02 1.61 1.04 -1.26 -5.18 113.70 111.78 2crq s SER 2 Ca 0.00 -1.69 -0.28 0.00 0.48 0.00 0.00 55.95 54.46 2crq s SER 2 Cb 0.00 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.74 2crq s SER 2 CO 0.00 -0.99 1.24 -0.55 0.98 0.00 0.00 173.24 173.91 2crq s SER 3 N -3.42 -0.04 -0.32 7.02 0.15 -1.26 -5.13 113.70 110.70 2crq s SER 3 Ca 0.35 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.75 2crq s SER 3 Cb 0.03 0.21 0.11 0.00 -1.71 0.00 0.00 66.02 64.66 2crq s SER 3 CO 0.22 -0.41 0.14 -0.83 1.20 0.00 0.00 173.24 173.55 2crq s GLY 4 N -3.32 0.86 0.12 9.45 0.00 -1.26 -5.00 107.32 108.18 2crq s GLY 4 Ca 0.20 -1.54 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 2crq s GLY 4 CO -0.01 1.86 1.74 0.23 0.00 0.00 0.00 173.10 176.92 2crq h SER 5 N 7.94 0.33 -1.32 1.64 0.87 -2.09 -3.39 113.55 117.53 2crq h SER 5 Ca -0.12 -0.06 -0.36 0.00 -1.23 0.00 0.00 61.79 60.02 2crq h SER 5 Cb 1.00 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 2crq h SER 5 CO 0.43 0.29 1.26 -0.94 -0.53 0.00 0.00 176.83 177.34 2crq s SER 6 N -5.51 4.30 -0.72 6.23 1.04 -1.26 -4.84 113.70 112.93 2crq s SER 6 Ca -0.13 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.17 2crq s SER 6 Cb 0.09 -2.51 0.32 0.00 0.10 0.00 0.00 66.02 64.01 2crq s SER 6 CO 0.71 -3.12 1.13 0.61 0.98 0.00 0.00 173.24 173.55 2crq n GLY 7 N 6.19 5.53 0.00 7.32 0.00 -1.26 -4.82 105.19 118.15 2crq n GLY 7 Ca 0.39 -2.74 0.07 0.00 0.00 0.00 0.00 46.02 43.75 2crq n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crq n PRO 8 N 0.14 0.16 -2.17 1.61 -0.04 -1.26 -4.75 135.00 128.68 2crq n PRO 8 Ca 0.34 0.17 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 2crq n PRO 8 Cb 0.36 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2crq n PRO 8 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2crq s LYS 9 N -2.67 4.26 0.40 0.54 -2.85 -1.26 -5.01 119.74 113.14 2crq s LYS 9 Ca 0.12 2.02 0.06 0.00 -1.00 0.00 0.00 55.97 57.17 2crq s LYS 9 Cb 0.10 -3.61 -0.07 0.00 -2.06 0.00 0.00 37.83 32.19 2crq s LYS 9 CO 0.23 -0.62 0.02 0.95 0.10 0.00 0.00 175.35 176.03 2crq s THR 10 N 2.58 1.74 0.00 3.79 -4.23 -1.26 -5.16 115.64 113.10 2crq s THR 10 Ca 0.66 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2crq s THR 10 Cb -0.32 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2crq s THR 10 CO 0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2crq n GLY 11 N -0.92 5.38 3.71 3.99 0.00 -1.26 -5.16 105.19 110.93 2crq n GLY 11 Ca -0.05 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 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 1.06 1.14 0.66 1.61 0.04 -1.26 -4.97 135.00 133.28 2crq s PRO 12 Ca 0.00 0.78 -0.17 0.00 0.04 0.00 0.00 61.00 61.65 2crq s PRO 12 Cb 0.00 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2crq s PRO 12 CO 0.00 -2.31 0.49 -2.37 0.04 0.00 0.00 177.00 172.85 2crq n THR 13 N -3.93 1.94 -3.32 1.26 5.66 -1.26 -5.01 114.28 109.62 2crq n THR 13 Ca 0.07 -0.44 0.02 0.00 -3.05 0.00 0.00 64.05 60.65 2crq n THR 13 Cb 0.55 -0.69 -0.04 0.00 -1.55 0.00 0.00 70.33 68.60 2crq n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crq s MET 14 N -2.44 0.23 -0.07 1.09 0.23 -1.26 -5.16 119.30 111.92 2crq s MET 14 Ca 0.66 0.55 0.03 0.00 -1.03 0.00 0.00 55.69 55.91 2crq s MET 14 Cb -0.39 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.25 2crq s MET 14 CO 0.57 -0.10 -0.17 0.99 -2.03 0.00 0.00 175.02 174.28 2crq s THR 15 N 2.42 1.47 0.04 3.16 2.01 -1.26 -4.55 115.64 118.93 2crq s THR 15 Ca -0.01 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 2crq s THR 15 Cb -0.05 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 2crq s THR 15 CO -0.17 0.43 0.37 -0.54 -0.69 0.00 0.00 174.62 174.02 2crq s LYS 16 N 0.35 3.75 -0.02 4.92 -0.14 0.24 -5.03 119.74 123.81 2crq s LYS 16 Ca -0.12 0.17 0.02 0.00 -1.36 0.00 0.00 55.97 54.68 2crq s LYS 16 Cb -0.15 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 2crq s LYS 16 CO 0.04 0.62 -0.06 -1.21 -0.76 0.00 0.00 175.35 173.98 2crq s GLU 17 N -1.64 0.66 -0.08 1.68 2.02 -1.26 -0.99 118.70 119.09 2crq s GLU 17 Ca 0.29 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.08 2crq s GLU 17 Cb -0.14 -0.65 0.02 0.00 0.10 0.00 0.00 34.13 33.45 2crq s GLU 17 CO 0.16 0.08 -0.09 -1.17 0.02 0.00 0.00 175.26 174.25 2crq s LEU 18 N 0.19 1.40 -0.11 1.80 2.96 0.53 -4.90 118.68 120.55 2crq s LEU 18 Ca -0.02 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2crq s LEU 18 Cb -0.07 -0.78 0.03 0.00 0.50 0.00 0.00 46.19 45.87 2crq s LEU 18 CO -0.00 -0.04 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 2crq s VAL 19 N 1.13 0.97 0.16 1.68 1.01 -1.26 -0.15 120.40 123.94 2crq s VAL 19 Ca -0.06 -0.26 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2crq s VAL 19 Cb -0.14 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2crq s VAL 19 CO -0.02 0.35 0.14 0.72 0.00 0.00 0.00 175.10 176.30 2crq s PHE 20 N 1.73 0.83 0.47 5.22 -0.12 -0.40 -4.98 117.98 120.73 2crq s PHE 20 Ca 0.05 -1.16 -0.04 0.00 -0.05 0.00 0.00 56.93 55.72 2crq s PHE 20 Cb -0.13 -0.39 -0.04 0.00 -0.63 0.00 0.00 43.02 41.84 2crq s PHE 20 CO -0.08 -0.61 0.76 -1.12 -0.05 0.00 0.00 175.22 174.11 2crq s SER 21 N -3.06 6.26 0.42 1.98 0.01 -1.26 -1.92 113.70 116.13 2crq s SER 21 Ca 0.27 0.87 0.30 0.00 1.31 0.00 0.00 55.95 58.69 2crq s SER 21 Cb 0.06 -2.22 1.24 0.00 0.21 0.00 0.00 66.02 65.32 2crq s SER 21 CO 0.05 -0.55 1.88 -1.28 0.41 0.00 0.00 173.24 173.74 2crq h SER 22 N 0.29 0.00 -0.56 2.44 0.87 -1.91 -3.01 113.55 111.67 2crq h SER 22 Ca -0.47 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 59.72 2crq h SER 22 Cb 1.21 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.00 2crq h SER 22 CO 0.62 0.00 0.48 -0.46 -0.53 0.00 0.00 176.83 176.94 2crq n ASN 23 N -2.70 6.39 0.13 6.23 6.94 -1.26 -4.33 115.26 126.65 2crq n ASN 23 Ca 0.01 -3.16 -0.24 0.00 -0.02 0.00 0.00 54.58 51.18 2crq n ASN 23 Cb 0.26 -1.02 -0.16 0.00 -2.36 0.00 0.00 39.78 36.51 2crq n ASN 23 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 2crq h ILE 24 N 0.96 1.20 0.00 1.53 2.10 -1.94 -3.51 117.51 117.85 2crq h ILE 24 Ca 0.34 -2.67 0.00 0.00 1.08 0.00 0.00 64.86 63.61 2crq h ILE 24 Cb 0.99 2.96 0.00 0.00 -1.09 0.00 0.00 36.82 39.69 2crq h ILE 24 CO 0.87 0.83 0.00 0.61 -1.08 0.00 0.00 178.15 179.38 2crq n GLY 25 N 1.75 1.14 0.13 8.18 0.00 -1.26 -4.23 105.19 110.89 2crq n GLY 25 Ca -0.19 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.68 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 0.37 -0.09 1.61 5.75 -1.98 -2.28 115.11 118.50 2crq h GLN 26 Ca 0.00 -0.64 -0.11 0.00 -0.15 0.00 0.00 58.65 57.75 2crq h GLN 26 Cb 0.00 0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2crq h GLN 26 CO 0.00 1.28 -0.44 0.45 -2.65 0.00 0.00 178.83 177.46 2crq h HIS 27 N 0.10 0.26 0.00 3.99 3.86 -2.01 -2.85 115.15 118.49 2crq h HIS 27 Ca -0.26 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 58.88 2crq h HIS 27 Cb 2.08 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 30.49 2crq h HIS 27 CO 0.09 0.63 -0.00 0.22 0.86 0.00 0.00 177.93 179.73 2crq h ASP 28 N 0.18 0.00 -1.18 2.45 1.82 -1.74 -3.31 116.42 114.64 2crq h ASP 28 Ca 0.01 -0.54 0.34 0.00 -0.39 0.00 0.00 57.03 56.45 2crq h ASP 28 Cb 0.86 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.82 2crq h ASP 28 CO 0.07 0.77 0.84 0.25 -1.61 0.00 0.00 179.24 179.56 2crq h LEU 29 N -1.00 0.03 -0.83 2.28 5.85 -1.48 0.70 115.31 120.86 2crq h LEU 29 Ca -0.00 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.92 2crq h LEU 29 Cb 0.54 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.46 2crq h LEU 29 CO -0.00 0.00 0.28 -0.78 -0.34 0.00 0.00 178.44 177.61 2crq h ASP 30 N 0.02 0.16 -0.33 1.25 3.58 -1.59 0.17 116.42 119.68 2crq h ASP 30 Ca 0.57 0.15 -0.10 0.00 0.42 0.00 0.00 57.03 58.07 2crq h ASP 30 Cb 2.23 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 43.44 2crq h ASP 30 CO -0.03 -0.03 -0.19 0.74 -2.88 0.00 0.00 179.24 176.86 2crq h THR 31 N 0.33 1.29 -0.22 2.25 2.02 -1.05 -2.88 112.91 114.65 2crq h THR 31 Ca 0.50 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.37 2crq h THR 31 Cb 0.90 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 2crq h THR 31 CO -0.53 0.43 0.13 0.11 0.37 0.00 0.00 175.52 176.02 2crq h LYS 32 N 0.47 0.26 -0.98 6.66 1.79 -1.04 -1.15 116.57 122.59 2crq h LYS 32 Ca 0.07 -0.02 0.10 0.00 -2.18 0.00 0.00 60.65 58.62 2crq h LYS 32 Cb 0.73 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 31.25 2crq h LYS 32 CO 0.05 0.17 0.63 0.77 -1.08 0.00 0.00 179.45 180.00 2crq h SER 33 N 0.27 0.94 -0.24 0.86 0.02 -0.76 -1.37 113.55 113.26 2crq h SER 33 Ca 0.08 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2crq h SER 33 Cb -0.01 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 2crq h SER 33 CO -0.03 0.54 -0.07 0.11 -1.14 0.00 0.00 176.83 176.23 2crq h LYS 34 N 1.03 0.47 -0.50 3.45 1.57 -1.21 -2.32 116.57 119.05 2crq h LYS 34 Ca 0.46 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 59.11 2crq h LYS 34 Cb 0.39 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 2crq h LYS 34 CO -0.22 0.71 0.22 0.37 -0.57 0.00 0.00 179.45 179.96 2crq h GLN 35 N 0.20 0.42 -0.08 3.15 5.75 -0.45 -2.43 115.11 121.68 2crq h GLN 35 Ca 0.06 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2crq h GLN 35 Cb 0.54 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 2crq h GLN 35 CO 0.03 0.28 0.05 0.82 -2.65 0.00 0.00 178.83 177.36 2crq h ILE 36 N 0.44 1.06 -1.00 2.39 2.04 -1.24 -2.62 117.51 118.58 2crq h ILE 36 Ca 0.23 -0.17 0.23 0.00 1.00 0.00 0.00 64.86 66.14 2crq h ILE 36 Cb 0.19 1.03 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 2crq h ILE 36 CO -0.19 0.06 0.59 -0.61 0.00 0.00 0.00 178.15 178.00 2crq h GLN 37 N 0.07 0.62 -0.11 2.37 4.15 -1.02 -0.12 115.11 121.07 2crq h GLN 37 Ca 0.03 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.43 2crq h GLN 37 Cb 0.05 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2crq h GLN 37 CO -0.01 0.41 -0.01 1.96 -1.93 0.00 0.00 178.83 179.26 2crq h GLN 38 N 0.64 0.03 -0.51 1.69 1.08 -1.06 -1.72 115.11 115.25 2crq h GLN 38 Ca 0.62 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.82 2crq h GLN 38 Cb 1.11 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 2crq h GLN 38 CO -0.45 0.02 0.30 -1.49 -0.95 0.00 0.00 178.83 176.26 2crq h TRP 39 N 0.03 0.68 -0.78 2.96 6.55 -0.98 -2.65 115.95 121.75 2crq h TRP 39 Ca 0.05 -0.01 0.09 0.00 0.95 0.00 0.00 58.89 59.98 2crq h TRP 39 Cb 0.06 -0.22 -0.07 0.00 -0.86 0.00 0.00 29.16 28.07 2crq h TRP 39 CO -0.14 0.48 0.43 0.82 -1.05 0.00 0.00 178.44 178.98 2crq h ILE 40 N 0.68 0.89 -0.74 1.49 1.08 -0.93 -0.24 117.51 119.75 2crq h ILE 40 Ca 0.18 -0.25 0.12 0.00 -0.39 0.00 0.00 64.86 64.53 2crq h ILE 40 Cb 0.00 0.10 -0.09 0.00 -3.07 0.00 0.00 36.82 33.77 2crq h ILE 40 CO -0.03 0.13 0.32 -0.33 -0.69 0.00 0.00 178.15 177.55 2crq h GLU 41 N 0.72 0.48 -0.93 2.37 4.39 -0.95 0.28 114.58 120.94 2crq h GLU 41 Ca 0.38 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.99 2crq h GLU 41 Cb 0.36 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 2crq h GLU 41 CO -0.25 0.32 0.07 1.63 -1.16 0.00 0.00 179.01 179.62 2crq n LYS 42 N -4.95 1.79 -3.80 2.33 5.02 -0.61 -4.85 118.16 113.08 2crq n LYS 42 Ca 0.13 -0.87 -0.23 0.00 -2.02 0.00 0.00 58.31 55.32 2crq n LYS 42 Cb 0.36 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.12 -4.12 -3.85 1.97 4.76 0.98 -4.96 118.16 113.07 2crq n LYS 43 Ca 0.11 0.53 -0.36 0.00 -2.87 0.00 0.00 58.31 55.72 2crq n LYS 43 Cb 0.64 -4.88 -0.13 0.00 -1.84 0.00 0.00 35.03 28.82 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 -3.78 3.16 0.12 2.13 2.02 -0.20 -5.00 117.35 115.80 2crq s TYR 44 Ca 0.02 -1.40 -0.33 0.00 -0.37 0.00 0.00 57.07 54.99 2crq s TYR 44 Cb -0.01 -2.17 -0.12 0.00 -0.40 0.00 0.00 41.96 39.26 2crq s TYR 44 CO 0.84 -0.69 1.73 0.72 -1.57 0.00 0.00 175.55 176.58 2crq n HIS 45 N 4.75 2.46 -4.05 2.71 8.25 -1.26 -3.96 115.22 124.12 2crq n HIS 45 Ca -0.15 0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 2crq n HIS 45 Cb 0.46 -2.64 -0.15 0.00 1.12 0.00 0.00 29.99 28.78 2crq n HIS 45 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2crq s VAL 46 N 1.98 2.46 -0.46 1.59 1.01 -1.25 -0.59 120.40 125.14 2crq s VAL 46 Ca 0.81 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2crq s VAL 46 Cb -0.59 -2.08 0.06 0.00 0.00 0.00 0.00 36.38 33.76 2crq s VAL 46 CO 0.39 0.49 0.43 -1.58 0.00 0.00 0.00 175.10 174.83 2crq s GLN 47 N 1.34 3.02 0.24 2.72 0.74 -0.16 -2.79 119.66 124.77 2crq s GLN 47 Ca 0.05 -1.15 -0.18 0.00 0.05 0.00 0.00 55.36 54.13 2crq s GLN 47 Cb -0.14 -4.09 -0.08 0.00 1.10 0.00 0.00 33.01 29.80 2crq s GLN 47 CO -0.10 -1.01 0.72 0.08 -0.55 0.00 0.00 175.29 174.43 2crq s VAL 48 N 1.90 4.61 -0.04 1.34 1.01 -0.25 -0.35 120.40 128.61 2crq s VAL 48 Ca 0.07 1.19 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 2crq s VAL 48 Cb -0.22 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.38 2crq s VAL 48 CO 0.09 0.13 0.10 -0.89 0.00 0.00 0.00 175.10 174.53 2crq s THR 49 N -1.61 -0.03 -0.15 3.92 2.01 0.79 -1.98 115.64 118.58 2crq s THR 49 Ca 0.45 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.56 2crq s THR 49 Cb -0.15 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.21 2crq s THR 49 CO 0.20 0.04 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.33 2crq s ILE 50 N 0.58 2.08 -0.07 1.82 1.01 -0.83 -1.28 121.20 124.51 2crq s ILE 50 Ca -0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.39 2crq s ILE 50 Cb -0.06 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 2crq s ILE 50 CO -0.02 0.55 0.79 -0.54 0.00 0.00 0.00 174.94 175.71 2crq s LYS 51 N 0.96 4.44 0.25 2.79 -0.14 -0.81 -2.43 119.74 124.80 2crq s LYS 51 Ca -0.03 1.03 0.09 0.00 -1.36 0.00 0.00 55.97 55.70 2crq s LYS 51 Cb -0.15 -3.47 -0.05 0.00 -1.68 0.00 0.00 37.83 32.48 2crq s LYS 51 CO -0.05 -0.03 -0.15 1.03 -0.76 0.00 0.00 175.35 175.39 2crq s ARG 52 N 1.08 1.51 0.50 1.68 0.52 -1.24 -3.38 118.95 119.63 2crq s ARG 52 Ca 0.41 -1.70 0.01 0.00 -0.52 0.00 0.00 55.73 53.93 2crq s ARG 52 Cb -0.18 -1.38 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 2crq s ARG 52 CO 0.19 0.21 0.04 1.03 0.02 0.00 0.00 175.30 176.79 2crq s ARG 53 N -3.61 2.17 0.18 3.54 1.81 -1.26 -4.83 118.95 116.95 2crq s ARG 53 Ca 0.27 -2.39 -0.03 0.00 -1.72 0.00 0.00 55.73 51.86 2crq s ARG 53 Cb -0.01 -1.28 0.08 0.00 -0.45 0.00 0.00 34.95 33.29 2crq s ARG 53 CO 0.11 -0.43 1.47 -0.22 -0.68 0.00 0.00 175.30 175.54 2crq h LYS 54 N 1.40 0.49 -0.25 3.54 1.63 -1.97 -3.30 116.57 118.11 2crq h LYS 54 Ca -0.42 -0.35 -0.21 0.00 -0.85 0.00 0.00 60.65 58.82 2crq h LYS 54 Cb 1.31 0.06 -0.24 0.00 -0.60 0.00 0.00 32.23 32.76 2crq h LYS 54 CO 0.69 0.97 -0.78 -3.47 -3.45 0.00 0.00 179.45 173.41 2crq n ASP 55 N -3.91 2.36 -4.29 4.20 -0.08 -1.26 -5.05 116.55 108.52 2crq n ASP 55 Ca -0.04 -3.22 -0.29 0.00 -1.51 0.00 0.00 54.79 49.73 2crq n ASP 55 Cb 0.65 -0.43 0.21 0.00 2.34 0.00 0.00 41.12 43.90 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2crq s ALA 56 N -2.72 0.65 0.25 -1.67 0.00 -1.24 -4.85 121.76 112.18 2crq s ALA 56 Ca 0.39 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.78 2crq s ALA 56 Cb 0.38 -3.02 0.68 0.00 0.00 0.00 0.00 23.12 21.16 2crq s ALA 56 CO -0.06 -3.27 1.22 -0.85 0.00 0.00 0.00 175.76 172.79 2crq n GLU 57 N -4.51 -0.06 -3.84 0.00 0.28 -1.26 -4.70 120.64 106.55 2crq n GLU 57 Ca 0.08 1.14 -0.07 0.00 -0.16 0.00 0.00 57.16 58.16 2crq n GLU 57 Cb 0.58 -1.86 0.02 0.00 1.43 0.00 0.00 31.44 31.62 2crq n GLU 57 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2crq s GLN 58 N -5.60 1.88 0.56 3.44 1.03 -1.26 -5.14 119.66 114.57 2crq s GLN 58 Ca -0.09 -1.22 0.08 0.00 0.04 0.00 0.00 55.36 54.17 2crq s GLN 58 Cb 0.23 0.52 0.08 0.00 0.03 0.00 0.00 33.01 33.87 2crq s GLN 58 CO 0.60 -0.88 0.77 -1.12 -2.54 0.00 0.00 175.29 172.12 2crq s SER 59 N -3.23 5.14 0.45 12.60 0.01 -1.26 -4.78 113.70 122.63 2crq s SER 59 Ca 0.19 -0.72 0.32 0.00 1.31 0.00 0.00 55.95 57.04 2crq s SER 59 Cb -0.04 0.08 1.43 0.00 0.21 0.00 0.00 66.02 67.71 2crq s SER 59 CO 0.09 -1.28 1.65 1.05 0.41 0.00 0.00 173.24 175.16 2crq h GLU 60 N 0.20 0.10 -0.36 12.44 4.11 -1.96 -1.26 114.58 127.84 2crq h GLU 60 Ca -0.32 -0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.14 2crq h GLU 60 Cb 1.29 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2crq h GLU 60 CO 0.42 0.07 -0.30 0.93 0.07 0.00 0.00 179.01 180.19 2crq h GLU 61 N 0.10 -0.10 -0.28 1.06 3.07 -2.01 0.16 114.58 116.59 2crq h GLU 61 Ca 0.79 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.51 2crq h GLU 61 Cb 2.57 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 30.49 2crq h GLU 61 CO -0.33 -0.07 -0.43 0.93 -1.40 0.00 0.00 179.01 177.72 2crq h GLU 62 N -0.10 0.69 -0.18 2.33 4.39 -1.63 -2.86 114.58 117.22 2crq h GLU 62 Ca 0.06 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.44 2crq h GLU 62 Cb 0.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2crq h GLU 62 CO -0.40 0.99 0.31 1.15 -1.16 0.00 0.00 179.01 179.90 2crq h THR 63 N 0.56 0.24 0.00 1.13 2.02 -0.65 0.30 112.91 116.52 2crq h THR 63 Ca 0.04 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 2crq h THR 63 Cb 0.97 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2crq h THR 63 CO 0.09 0.00 -0.19 -0.33 0.37 0.00 0.00 175.52 175.46 2crq h GLU 64 N 0.00 0.00 0.35 6.66 5.08 -0.48 -3.14 114.58 123.06 2crq h GLU 64 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2crq h GLU 64 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2crq h GLU 64 CO -0.00 0.19 -0.17 0.93 -1.00 0.00 0.00 179.01 178.96 2crq h GLU 65 N 0.00 -0.46 -0.89 2.33 3.07 -0.56 -3.24 114.58 114.82 2crq h GLU 65 Ca -0.00 0.03 0.10 0.00 -0.50 0.00 0.00 59.36 58.99 2crq h GLU 65 Cb 0.54 0.10 -0.12 0.00 -0.84 0.00 0.00 28.75 28.43 2crq h GLU 65 CO 0.02 -0.17 -0.47 -0.89 -1.40 0.00 0.00 179.01 176.10 2crq n ILE 66 N -5.20 -0.56 -0.27 3.13 5.41 -1.18 0.57 119.36 121.25 2crq n ILE 66 Ca -0.10 2.14 0.13 0.00 1.00 0.00 0.00 62.75 65.93 2crq n ILE 66 Cb 0.26 -2.71 0.26 0.00 -0.71 0.00 0.00 39.64 36.75 2crq n ILE 66 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2crq n PHE 67 N -5.19 0.56 -0.17 1.39 3.72 -1.22 0.23 117.46 116.78 2crq n PHE 67 Ca 0.04 0.96 -0.11 0.00 -0.05 0.00 0.00 57.45 58.29 2crq n PHE 67 Cb 0.27 -1.13 -0.00 0.00 -0.94 0.00 0.00 39.48 37.69 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 0.91 -0.67 4.37 2.35 0.00 -2.33 115.58 120.22 2crq h ASN 68 Ca 0.51 -0.35 0.16 0.00 -0.55 0.00 0.00 56.30 56.06 2crq h ASN 68 Cb 1.09 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.17 2crq h ASN 68 CO -0.73 1.05 0.46 1.56 -1.65 0.00 0.00 177.43 178.12 2crq h GLN 69 N 0.76 0.20 0.23 0.81 4.20 0.33 0.70 115.11 122.34 2crq h GLN 69 Ca 0.13 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.50 2crq h GLN 69 Cb 0.64 -0.04 0.03 0.00 0.30 0.00 0.00 27.48 28.40 2crq h GLN 69 CO 0.04 0.13 -1.46 0.82 -0.67 0.00 0.00 178.83 177.69 2crq h ILE 70 N 0.20 1.24 0.00 2.54 2.04 -1.09 -3.27 117.51 119.17 2crq h ILE 70 Ca 0.32 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.54 2crq h ILE 70 Cb 0.99 3.01 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 2crq h ILE 70 CO -0.06 0.81 0.00 -0.11 0.00 0.00 0.00 178.15 178.79 2crq n LEU 71 N -3.75 0.34 0.19 1.44 7.94 -0.49 -2.95 117.00 119.72 2crq n LEU 71 Ca -0.18 0.54 0.14 0.00 -1.11 0.00 0.00 56.01 55.40 2crq n LEU 71 Cb 1.07 -0.45 0.54 0.00 0.53 0.00 0.00 43.42 45.10 2crq n LEU 71 CO 0.58 -0.15 0.91 1.56 -1.11 0.00 0.00 177.39 179.17 2crq h GLN 72 N 0.00 0.00 0.00 1.96 4.20 0.31 -0.19 115.11 121.38 2crq h GLN 72 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2crq h GLN 72 Cb 0.53 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 2crq h GLN 72 CO 0.00 0.00 -1.79 0.25 -0.67 0.00 0.00 178.83 176.62 2crq n THR 73 N -2.60 0.87 -2.44 -0.54 -2.24 -1.15 -4.41 114.28 101.77 2crq n THR 73 Ca 0.02 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 2crq n THR 73 Cb 0.29 -0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.11 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 -2.66 2.71 0.28 -0.78 0.00 -1.08 -4.83 117.12 110.76 2crq n MET 74 Ca -0.13 -3.95 0.17 0.00 0.00 0.00 0.00 57.70 53.79 2crq n MET 74 Cb 0.82 -1.94 0.70 0.00 0.00 0.00 0.00 33.22 32.81 2crq n MET 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2crq h PRO 75 N 2.53 0.00 0.00 3.17 0.13 -1.16 1.11 132.00 137.78 2crq h PRO 75 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2crq h PRO 75 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2crq h PRO 75 CO 0.61 0.01 -1.23 -0.40 -0.23 0.00 0.00 178.00 176.76 2crq n ASP 76 N -3.11 1.28 -0.00 1.44 5.75 -1.26 -4.49 116.55 116.16 2crq n ASP 76 Ca 0.00 -0.35 0.07 0.00 -0.01 0.00 0.00 54.79 54.50 2crq n ASP 76 Cb 0.30 1.37 -0.10 0.00 -1.03 0.00 0.00 41.12 41.66 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 -1.71 0.00 -3.80 2.12 3.06 -1.11 -4.65 119.36 113.27 2crq n ILE 77 Ca -0.00 -0.29 -0.13 0.00 -2.50 0.00 0.00 62.75 59.83 2crq n ILE 77 Cb 0.30 0.37 -0.11 0.00 0.54 0.00 0.00 39.64 40.74 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 -2.80 -0.56 0.29 1.51 0.00 0.38 -2.20 121.76 118.39 2crq s ALA 78 Ca -0.03 0.55 0.04 0.00 0.00 0.00 0.00 51.96 52.52 2crq s ALA 78 Cb 0.09 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2crq s ALA 78 CO 0.57 -0.13 0.04 -0.08 0.00 0.00 0.00 175.76 176.16 2crq s THR 79 N -0.11 1.14 -0.56 0.00 -1.32 0.87 -3.95 115.64 111.71 2crq s THR 79 Ca -0.02 -2.02 -0.27 0.00 -1.21 0.00 0.00 61.69 58.17 2crq s THR 79 Cb -0.02 -2.64 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 2crq s THR 79 CO 0.01 -0.11 1.82 -0.36 -2.21 0.00 0.00 174.62 173.77 2crq s PHE 80 N -3.34 1.73 -0.03 9.09 0.08 -1.26 -1.86 117.98 122.38 2crq s PHE 80 Ca 0.34 0.75 -0.07 0.00 0.12 0.00 0.00 56.93 58.07 2crq s PHE 80 Cb 0.07 -4.11 -0.29 0.00 -0.57 0.00 0.00 43.02 38.12 2crq s PHE 80 CO 0.13 -2.39 0.73 1.03 -0.10 0.00 0.00 175.22 174.63 2crq h SER 81 N 14.38 0.49 -3.22 1.36 0.87 -1.82 -3.44 113.55 122.16 2crq h SER 81 Ca -0.27 -0.74 -0.54 0.00 -1.23 0.00 0.00 61.79 59.01 2crq h SER 81 Cb 1.16 -0.16 -0.40 0.00 -0.44 0.00 0.00 62.40 62.56 2crq h SER 81 CO 1.18 1.62 -0.76 -0.44 -0.53 0.00 0.00 176.83 177.90 2crq s SER 82 N -7.11 3.37 0.14 6.23 0.01 -1.15 -4.98 113.70 110.22 2crq s SER 82 Ca -0.13 -1.13 -0.33 0.00 1.31 0.00 0.00 55.95 55.66 2crq s SER 82 Cb 0.06 -0.70 -0.17 0.00 0.21 0.00 0.00 66.02 65.42 2crq s SER 82 CO 0.85 -0.35 1.03 -1.14 0.41 0.00 0.00 173.24 174.04 2crq n ARG 83 N 4.98 0.70 -2.04 12.44 3.00 -1.26 -3.41 116.66 131.07 2crq n ARG 83 Ca -0.07 0.25 -0.35 0.00 -0.00 0.00 0.00 57.85 57.68 2crq n ARG 83 Cb 0.45 -1.66 -0.04 0.00 0.00 0.00 0.00 32.46 31.22 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 -0.41 2.60 0.35 -0.14 0.04 -1.26 -4.78 135.00 131.40 2crq s PRO 84 Ca 0.75 0.36 0.06 0.00 0.04 0.00 0.00 61.00 62.21 2crq s PRO 84 Cb -0.96 -4.58 -0.01 0.00 0.04 0.00 0.00 34.50 29.00 2crq s PRO 84 CO 0.54 -2.92 0.50 -1.59 0.04 0.00 0.00 177.00 173.57 2crq s LYS 85 N 7.04 3.09 -0.16 4.56 -2.85 -1.17 -4.86 119.74 125.39 2crq s LYS 85 Ca 0.68 -0.95 -0.29 0.00 -1.00 0.00 0.00 55.97 54.41 2crq s LYS 85 Cb -0.11 -2.78 -0.00 0.00 -2.06 0.00 0.00 37.83 32.87 2crq s LYS 85 CO 0.15 -0.00 1.05 0.00 0.10 0.00 0.00 175.35 176.65 2crq s ALA 86 N -2.24 3.56 0.51 0.59 0.00 -1.26 -2.94 121.76 119.99 2crq s ALA 86 Ca 0.46 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.75 2crq s ALA 86 Cb -0.10 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2crq s ALA 86 CO 0.32 -0.86 0.15 0.44 0.00 0.00 0.00 175.76 175.82 2crq n ILE 87 N 4.96 0.00 -3.64 0.00 -5.35 0.92 -4.50 119.36 111.74 2crq n ILE 87 Ca 0.11 -2.27 -0.23 0.00 -0.27 0.00 0.00 62.75 60.09 2crq n ILE 87 Cb 0.47 0.28 0.06 0.00 -1.74 0.00 0.00 39.64 38.71 2crq n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2crq n ARG 88 N -1.44 -6.53 -1.77 6.28 5.12 -1.26 -0.83 116.66 116.23 2crq n ARG 88 Ca -0.14 0.75 -0.17 0.00 -1.93 0.00 0.00 57.85 56.36 2crq n ARG 88 Cb 0.62 -5.66 -0.05 0.00 -1.16 0.00 0.00 32.46 26.21 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2crq n GLY 89 N -1.63 1.06 0.74 -0.13 0.00 -1.26 -2.97 105.19 101.00 2crq n GLY 89 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.90 0.62 0.97 -0.02 0.00 -0.35 -5.02 105.19 100.49 2crq n GLY 90 Ca -0.18 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.93 0.00 -4.43 2.61 -1.04 -0.01 -4.97 114.28 105.51 2crq n THR 91 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2crq n THR 91 Cb 0.32 -1.23 -0.10 0.00 -1.82 0.00 0.00 70.33 67.50 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 -1.98 2.49 0.17 2.41 0.00 -1.06 -3.62 121.76 120.18 2crq s ALA 92 Ca 0.00 -1.83 0.05 0.00 0.00 0.00 0.00 51.96 50.18 2crq s ALA 92 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2crq s ALA 92 CO 0.00 0.17 0.18 0.45 0.00 0.00 0.00 175.76 176.56 2crq s SER 93 N -3.45 5.73 -0.09 0.00 0.15 -1.02 -0.06 113.70 114.96 2crq s SER 93 Ca 0.28 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.77 2crq s SER 93 Cb -0.02 -1.55 0.03 0.00 -1.71 0.00 0.00 66.02 62.76 2crq s SER 93 CO 0.12 0.05 0.25 -0.32 1.20 0.00 0.00 173.24 174.54 2crq s MET 94 N -3.23 0.29 0.31 5.44 0.00 -1.15 -1.96 119.30 118.99 2crq s MET 94 Ca 0.32 0.36 -0.11 0.00 0.00 0.00 0.00 55.69 56.26 2crq s MET 94 Cb -0.10 0.13 0.01 0.00 0.00 0.00 0.00 34.83 34.87 2crq s MET 94 CO 0.25 -0.04 0.57 0.00 0.00 0.00 0.00 175.02 175.79 2crq s VAL 96 N -3.34 0.13 -0.12 0.00 1.01 -1.22 -1.09 120.40 115.76 2crq s VAL 96 Ca 0.22 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 2crq s VAL 96 Cb -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 2crq s VAL 96 CO 0.13 -0.16 -0.00 -0.36 0.00 0.00 0.00 175.10 174.71 2crq s PHE 97 N -0.55 3.13 0.01 5.22 0.40 -1.12 -2.45 117.98 122.62 2crq s PHE 97 Ca -0.05 0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.40 2crq s PHE 97 Cb -0.04 -1.87 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 2crq s PHE 97 CO -0.00 0.29 -0.25 0.50 0.70 0.00 0.00 175.22 176.46 2crq s ARG 98 N -0.37 2.01 0.20 0.44 3.52 -0.78 -4.13 118.95 119.85 2crq s ARG 98 Ca 0.07 -0.99 -0.30 0.00 -0.13 0.00 0.00 55.73 54.38 2crq s ARG 98 Cb -0.12 -2.05 -0.08 0.00 -1.56 0.00 0.00 34.95 31.13 2crq s ARG 98 CO 0.02 0.54 1.12 -1.58 -0.81 0.00 0.00 175.30 174.59 2crq s HIS 99 N -0.72 3.56 -0.85 5.12 5.65 -1.26 -0.09 115.29 126.70 2crq s HIS 99 Ca 0.11 1.59 -0.25 0.00 0.25 0.00 0.00 55.06 56.76 2crq s HIS 99 Cb -0.10 -3.30 -0.02 0.00 -1.18 0.00 0.00 32.58 27.98 2crq s HIS 99 CO 0.01 -0.69 1.78 -0.51 -0.65 0.00 0.00 174.74 174.67 2crq s LEU 100 N -0.55 3.26 0.75 8.88 2.01 -0.93 -4.86 118.68 127.23 2crq s LEU 100 Ca 0.49 -0.59 -0.12 0.00 0.01 0.00 0.00 54.13 53.93 2crq s LEU 100 Cb -0.30 -2.56 0.05 0.00 0.01 0.00 0.00 46.19 43.39 2crq s LEU 100 CO 0.36 -2.35 1.10 -0.94 1.01 0.00 0.00 176.35 175.54 2crq s SER 101 N 7.09 4.56 0.61 2.29 1.04 -1.26 -4.52 113.70 123.51 2crq s SER 101 Ca 0.62 1.90 0.27 0.00 0.48 0.00 0.00 55.95 59.22 2crq s SER 101 Cb -0.07 -2.53 0.99 0.00 0.10 0.00 0.00 66.02 64.51 2crq s SER 101 CO 0.03 -2.00 1.38 0.07 0.98 0.00 0.00 173.24 173.70 2crq h LYS 102 N -0.86 0.00 0.00 4.02 -0.00 -1.99 -0.06 116.57 117.68 2crq h LYS 102 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.21 2crq h LYS 102 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 2crq h LYS 102 CO 0.51 0.00 -0.01 0.87 -0.00 0.00 0.00 179.45 180.82 2crq h LYS 103 N 0.00 0.00 -0.89 0.07 1.79 -1.99 -2.77 116.57 112.78 2crq h LYS 103 Ca 0.46 0.00 0.23 0.00 -2.18 0.00 0.00 60.65 59.16 2crq h LYS 103 Cb 2.71 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 33.20 2crq h LYS 103 CO -0.00 0.00 0.09 0.93 -1.08 0.00 0.00 179.45 179.38 2crq h GLU 104 N -0.14 0.09 0.84 3.15 4.39 -1.56 -1.24 114.58 120.11 2crq h GLU 104 Ca 0.00 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2crq h GLU 104 Cb 0.01 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2crq h GLU 104 CO 0.00 0.06 -0.40 1.49 -1.16 0.00 0.00 179.01 179.00 2crq h GLU 105 N 0.09 -1.09 -5.25 2.33 4.81 -1.24 -3.45 114.58 110.79 2crq h GLU 105 Ca 0.53 0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.65 2crq h GLU 105 Cb 1.06 0.25 -0.12 0.00 0.63 0.00 0.00 28.75 30.57 2crq h GLU 105 CO -0.77 -0.72 -0.28 0.36 -0.73 0.00 0.00 179.01 176.88 2crq n LYS 106 N -5.53 -2.04 0.04 1.92 2.85 -0.47 -4.76 118.16 110.16 2crq n LYS 106 Ca -0.14 0.04 -0.10 0.00 -1.05 0.00 0.00 58.31 57.06 2crq n LYS 106 Cb 0.45 -3.99 -0.07 0.00 -0.65 0.00 0.00 35.03 30.77 2crq n LYS 106 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2crq h SER 107 N -0.27 -0.17 -0.03 -5.58 0.87 -1.87 -3.49 113.55 103.01 2crq h SER 107 Ca -0.18 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.03 2crq h SER 107 Cb 0.99 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2crq h SER 107 CO 0.27 0.41 0.00 0.61 -0.53 0.00 0.00 176.83 177.60 2crq n GLY 108 N 0.82 5.31 3.75 5.77 0.00 -1.26 -5.16 105.19 114.42 2crq n GLY 108 Ca -0.07 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 1.17 1.80 -0.60 1.61 0.04 -1.26 -4.93 135.00 132.83 2crq s PRO 109 Ca 0.00 1.01 -0.27 0.00 0.04 0.00 0.00 61.00 61.78 2crq s PRO 109 Cb 0.00 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.68 2crq s PRO 109 CO 0.00 -1.92 1.68 0.45 0.04 0.00 0.00 177.00 177.26 2crq s SER 110 N -3.41 5.62 -1.37 6.66 0.15 -1.26 -3.46 113.70 116.63 2crq s SER 110 Ca 0.62 0.29 -0.05 0.00 0.70 0.00 0.00 55.95 57.51 2crq s SER 110 Cb -0.17 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.63 2crq s SER 110 CO 0.56 -2.11 0.87 -0.24 1.20 0.00 0.00 173.24 173.52 2crq n SER 111 N 11.44 -2.89 -0.47 5.45 2.88 -1.26 -5.30 113.62 123.47 2crq n SER 111 Ca 0.16 -0.76 0.06 0.00 -1.33 0.00 0.00 58.87 57.01 2crq n SER 111 Cb 0.51 -4.23 0.05 0.00 -0.75 0.00 0.00 64.21 59.78 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42