#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 2.14 -0.13 1.61 1.04 -1.26 -5.00 113.70 112.10 2crq s SER 2 Ca 0.00 1.74 -0.11 0.00 0.48 0.00 0.00 55.95 58.07 2crq s SER 2 Cb 0.00 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.71 2crq s SER 2 CO 0.00 -3.52 0.22 -0.44 0.98 0.00 0.00 173.24 170.48 2crq s SER 3 N -2.76 6.43 -0.52 7.02 0.01 -1.26 -5.04 113.70 117.59 2crq s SER 3 Ca 0.67 0.50 0.07 0.00 1.31 0.00 0.00 55.95 58.50 2crq s SER 3 Cb -0.23 -2.13 0.24 0.00 0.21 0.00 0.00 66.02 64.11 2crq s SER 3 CO 0.61 0.27 0.60 0.61 0.41 0.00 0.00 173.24 175.73 2crq n GLY 4 N 2.66 3.69 3.75 3.44 0.00 -1.26 -5.10 105.19 112.37 2crq n GLY 4 Ca -0.16 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.52 2crq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crq s SER 5 N -1.65 4.86 -0.18 1.61 0.01 -1.26 -5.14 113.70 111.95 2crq s SER 5 Ca 0.36 -0.64 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2crq s SER 5 Cb 0.14 -0.88 0.13 0.00 0.21 0.00 0.00 66.02 65.62 2crq s SER 5 CO -0.08 -0.21 1.03 -0.55 0.41 0.00 0.00 173.24 173.84 2crq s SER 6 N -3.83 -0.35 0.00 2.44 0.15 -1.26 -5.18 113.70 105.66 2crq s SER 6 Ca 0.36 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2crq s SER 6 Cb -0.04 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2crq s SER 6 CO 0.23 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2crq n GLY 7 N 0.88 3.44 3.59 9.45 0.00 -1.26 -5.17 105.19 116.13 2crq n GLY 7 Ca -0.10 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 2crq n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crq s PRO 8 N -1.59 -1.24 1.11 1.61 0.04 -1.26 -5.04 135.00 128.62 2crq s PRO 8 Ca 0.00 -0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.80 2crq s PRO 8 Cb 0.00 -1.59 0.24 0.00 0.04 0.00 0.00 34.50 33.19 2crq s PRO 8 CO 0.00 -3.72 1.13 -1.59 0.04 0.00 0.00 177.00 172.86 2crq s LYS 9 N -5.41 -0.47 -0.17 4.56 -2.85 -1.26 -5.04 119.74 109.10 2crq s LYS 9 Ca 0.71 0.04 -0.11 0.00 -1.00 0.00 0.00 55.97 55.61 2crq s LYS 9 Cb -0.10 -1.67 -0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2crq s LYS 9 CO 0.56 -3.23 -0.26 0.25 0.10 0.00 0.00 175.35 172.77 2crq n THR 10 N -4.44 1.23 -4.10 3.79 -2.24 -1.26 -5.09 114.28 102.17 2crq n THR 10 Ca 0.11 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 2crq n THR 10 Cb 0.59 -1.91 -0.09 0.00 -2.10 0.00 0.00 70.33 66.82 2crq n THR 10 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2crq s GLY 11 N -5.12 0.90 0.39 3.38 0.00 -1.26 -5.03 107.32 100.58 2crq s GLY 11 Ca -0.26 -1.32 0.28 0.00 0.00 0.00 0.00 44.72 43.43 2crq s GLY 11 CO 0.34 -1.18 1.84 -0.56 0.00 0.00 0.00 173.10 173.54 2crq h PRO 12 N 2.70 0.00 -4.57 2.90 0.13 -2.07 -3.42 132.00 127.67 2crq h PRO 12 Ca -0.34 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.39 2crq h PRO 12 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 2crq h PRO 12 CO 0.54 0.00 -0.78 -0.08 -0.23 0.00 0.00 178.00 177.45 2crq s THR 13 N -3.48 0.68 -0.30 1.56 -1.32 -1.26 -5.12 115.64 106.40 2crq s THR 13 Ca 0.03 -0.33 -0.13 0.00 -1.21 0.00 0.00 61.69 60.04 2crq s THR 13 Cb 0.09 -0.60 0.18 0.00 -1.51 0.00 0.00 72.50 70.66 2crq s THR 13 CO 0.45 0.21 1.04 -0.32 -2.21 0.00 0.00 174.62 173.79 2crq s MET 14 N 0.04 0.21 0.02 7.08 0.00 -1.26 -5.08 119.30 120.31 2crq s MET 14 Ca -0.00 0.42 0.03 0.00 0.00 0.00 0.00 55.69 56.13 2crq s MET 14 Cb -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 34.83 34.99 2crq s MET 14 CO -0.00 -0.19 -0.09 0.99 0.00 0.00 0.00 175.02 175.73 2crq s THR 15 N 2.79 0.73 0.10 10.11 2.01 -1.26 -4.45 115.64 125.67 2crq s THR 15 Ca -0.00 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.38 2crq s THR 15 Cb -0.09 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2crq s THR 15 CO -0.13 0.00 -0.04 -0.54 -0.69 0.00 0.00 174.62 173.22 2crq s LYS 16 N -0.75 2.37 -0.01 4.92 -0.14 -0.60 -5.03 119.74 120.50 2crq s LYS 16 Ca -0.00 -0.93 0.01 0.00 -1.36 0.00 0.00 55.97 53.68 2crq s LYS 16 Cb -0.06 -2.44 0.01 0.00 -1.68 0.00 0.00 37.83 33.66 2crq s LYS 16 CO 0.00 0.52 -0.03 -1.21 -0.76 0.00 0.00 175.35 173.87 2crq s GLU 17 N -2.33 0.35 -0.08 1.68 2.02 -1.26 -1.21 118.70 117.86 2crq s GLU 17 Ca 0.24 -0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.15 2crq s GLU 17 Cb -0.11 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.76 2crq s GLU 17 CO 0.17 0.02 -0.04 -1.17 0.02 0.00 0.00 175.26 174.25 2crq s LEU 18 N 0.25 1.00 -0.16 1.80 2.96 -0.18 -4.94 118.68 119.41 2crq s LEU 18 Ca -0.02 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2crq s LEU 18 Cb -0.05 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.04 2crq s LEU 18 CO -0.00 -0.13 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.05 2crq s VAL 19 N 1.62 1.72 -0.10 1.68 1.01 -1.26 -1.87 120.40 123.19 2crq s VAL 19 Ca 0.01 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2crq s VAL 19 Cb -0.13 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.67 2crq s VAL 19 CO -0.05 0.46 0.38 0.72 0.00 0.00 0.00 175.10 176.61 2crq s PHE 20 N 1.42 -0.37 0.54 5.22 -0.12 -1.20 -5.02 117.98 118.45 2crq s PHE 20 Ca 0.04 0.83 -0.17 0.00 -0.05 0.00 0.00 56.93 57.58 2crq s PHE 20 Cb -0.13 0.15 -0.06 0.00 -0.63 0.00 0.00 43.02 42.34 2crq s PHE 20 CO -0.11 -0.28 1.03 -1.12 -0.05 0.00 0.00 175.22 174.68 2crq s SER 21 N -0.31 6.20 0.49 1.98 0.01 -1.26 -3.31 113.70 117.49 2crq s SER 21 Ca -0.05 1.76 0.18 0.00 1.31 0.00 0.00 55.95 59.16 2crq s SER 21 Cb -0.03 -2.53 1.23 0.00 0.21 0.00 0.00 66.02 64.89 2crq s SER 21 CO 0.02 -0.88 2.08 -1.28 0.41 0.00 0.00 173.24 173.59 2crq h SER 22 N 0.88 0.00 -0.90 2.44 0.87 -1.83 -2.40 113.55 112.61 2crq h SER 22 Ca -0.47 0.00 0.26 0.00 -1.23 0.00 0.00 61.79 60.35 2crq h SER 22 Cb 1.21 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.13 2crq h SER 22 CO 0.59 0.10 0.89 -1.13 -0.53 0.00 0.00 176.83 176.75 2crq h ASN 23 N 0.00 0.00 -1.75 6.23 -1.24 -1.92 -3.41 115.58 113.50 2crq h ASN 23 Ca -0.00 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.32 2crq h ASN 23 Cb 0.20 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.27 2crq h ASN 23 CO 0.01 0.00 0.91 0.00 -1.29 0.00 0.00 177.43 177.07 2crq n ILE 24 N -3.62 0.35 -1.90 2.57 3.06 -0.91 -4.92 119.36 113.99 2crq n ILE 24 Ca 0.19 -0.06 -0.33 0.00 -2.50 0.00 0.00 62.75 60.06 2crq n ILE 24 Cb 1.18 -1.40 0.03 0.00 0.54 0.00 0.00 39.64 39.99 2crq n ILE 24 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 2crq s GLY 25 N 3.27 2.07 0.16 4.50 0.00 -1.26 -4.71 107.32 111.35 2crq s GLY 25 Ca 0.94 0.40 -0.22 0.00 0.00 0.00 0.00 44.72 45.84 2crq s GLY 25 CO 0.58 0.73 1.60 -1.61 0.00 0.00 0.00 173.10 174.40 2crq h GLN 26 N 0.16 -0.23 -0.99 2.90 4.15 -1.94 0.18 115.11 119.33 2crq h GLN 26 Ca -0.46 0.02 0.30 0.00 0.77 0.00 0.00 58.65 59.27 2crq h GLN 26 Cb 1.23 0.05 -0.18 0.00 0.21 0.00 0.00 27.48 28.79 2crq h GLN 26 CO 0.56 -0.16 0.12 0.45 -1.93 0.00 0.00 178.83 177.88 2crq h HIS 27 N -0.24 0.11 0.09 3.99 3.86 -2.01 0.17 115.15 121.12 2crq h HIS 27 Ca 0.17 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2crq h HIS 27 Cb 0.52 0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.11 2crq h HIS 27 CO -0.51 -0.44 -0.04 -0.44 0.86 0.00 0.00 177.93 177.35 2crq h ASP 28 N 0.01 -0.10 -1.29 2.45 5.19 -1.45 -3.31 116.42 117.92 2crq h ASP 28 Ca 0.65 -0.19 0.45 0.00 -0.62 0.00 0.00 57.03 57.32 2crq h ASP 28 Cb 1.42 0.03 -0.14 0.00 0.18 0.00 0.00 39.33 40.81 2crq h ASP 28 CO -0.90 0.47 0.81 0.25 -3.12 0.00 0.00 179.24 176.76 2crq h LEU 29 N -1.01 0.24 -0.86 1.55 5.85 0.37 0.25 115.31 121.70 2crq h LEU 29 Ca -0.01 0.17 0.17 0.00 0.84 0.00 0.00 57.88 59.05 2crq h LEU 29 Cb 0.28 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 2crq h LEU 29 CO 0.02 -0.27 -0.23 -0.78 -0.34 0.00 0.00 178.44 176.84 2crq h ASP 30 N 0.03 -0.84 0.15 1.25 1.82 -0.79 -0.68 116.42 117.36 2crq h ASP 30 Ca 0.86 0.26 -0.01 0.00 -0.39 0.00 0.00 57.03 57.75 2crq h ASP 30 Cb 2.64 0.55 0.00 0.00 0.68 0.00 0.00 39.33 43.20 2crq h ASP 30 CO -0.51 -0.29 -0.07 0.74 -1.61 0.00 0.00 179.24 177.50 2crq h THR 31 N -0.00 1.00 -0.72 2.25 2.02 -0.70 -3.15 112.91 113.60 2crq h THR 31 Ca 0.41 -0.72 0.23 0.00 0.77 0.00 0.00 66.41 67.10 2crq h THR 31 Cb 0.63 1.43 -0.13 0.00 -1.74 0.00 0.00 68.15 68.34 2crq h THR 31 CO -0.89 0.17 0.14 0.29 0.37 0.00 0.00 175.52 175.60 2crq n LYS 32 N -5.02 -0.05 0.15 6.66 4.76 -0.30 0.15 118.16 124.50 2crq n LYS 32 Ca -0.09 1.05 -0.14 0.00 -2.87 0.00 0.00 58.31 56.26 2crq n LYS 32 Cb 0.22 -1.73 -0.07 0.00 -1.84 0.00 0.00 35.03 31.61 2crq n LYS 32 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 2crq h SER 33 N 0.00 -0.28 -0.67 4.39 0.02 -1.42 -2.98 113.55 112.62 2crq h SER 33 Ca 0.49 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.55 2crq h SER 33 Cb 1.14 0.08 -0.11 0.00 0.14 0.00 0.00 62.40 63.64 2crq h SER 33 CO -0.63 -0.19 -0.45 0.11 -1.14 0.00 0.00 176.83 174.52 2crq h LYS 34 N -0.31 -0.18 -0.48 3.45 6.56 0.13 0.11 116.57 125.85 2crq h LYS 34 Ca -0.03 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 2crq h LYS 34 Cb 0.25 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 31.85 2crq h LYS 34 CO 0.04 -0.12 -0.40 0.37 -2.06 0.00 0.00 179.45 177.28 2crq h GLN 35 N -0.18 -0.25 -0.58 3.15 5.75 -1.39 -0.06 115.11 121.54 2crq h GLN 35 Ca 0.19 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.77 2crq h GLN 35 Cb 0.55 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.10 2crq h GLN 35 CO -0.75 -0.17 0.28 0.82 -2.65 0.00 0.00 178.83 176.36 2crq h ILE 36 N -0.26 0.90 0.30 2.39 2.04 -1.00 -2.78 117.51 119.10 2crq h ILE 36 Ca 0.17 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2crq h ILE 36 Cb 0.57 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2crq h ILE 36 CO -0.61 0.09 -0.48 -0.61 0.00 0.00 0.00 178.15 176.54 2crq h GLN 37 N 0.52 -0.79 -1.09 2.37 4.15 0.91 -0.76 115.11 120.41 2crq h GLN 37 Ca 0.27 0.05 0.35 0.00 0.77 0.00 0.00 58.65 60.10 2crq h GLN 37 Cb 0.23 0.18 -0.14 0.00 0.21 0.00 0.00 27.48 27.96 2crq h GLN 37 CO -0.21 -0.53 0.66 1.96 -1.93 0.00 0.00 178.83 178.78 2crq h GLN 38 N -0.82 0.24 0.20 1.69 1.08 -0.96 0.12 115.11 116.66 2crq h GLN 38 Ca -0.03 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2crq h GLN 38 Cb 0.76 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.13 2crq h GLN 38 CO -0.15 0.16 -0.10 -1.49 -0.95 0.00 0.00 178.83 176.30 2crq h TRP 39 N 0.25 -0.26 -0.96 2.96 6.55 -1.02 -3.10 115.95 120.37 2crq h TRP 39 Ca 0.75 -0.01 0.21 0.00 0.95 0.00 0.00 58.89 60.79 2crq h TRP 39 Cb 1.94 0.08 -0.08 0.00 -0.86 0.00 0.00 29.16 30.24 2crq h TRP 39 CO -0.01 0.10 0.62 0.82 -1.05 0.00 0.00 178.44 178.92 2crq h ILE 40 N -0.65 0.66 -0.99 1.49 1.08 0.59 0.73 117.51 120.42 2crq h ILE 40 Ca -0.03 -0.18 0.21 0.00 -0.39 0.00 0.00 64.86 64.47 2crq h ILE 40 Cb 0.46 0.09 -0.10 0.00 -3.07 0.00 0.00 36.82 34.21 2crq h ILE 40 CO 0.05 0.10 0.62 -0.33 -0.69 0.00 0.00 178.15 177.89 2crq h GLU 41 N 0.53 0.59 -1.01 2.37 5.08 -1.17 0.41 114.58 121.39 2crq h GLU 41 Ca 0.53 -0.04 -0.43 0.00 -1.00 0.00 0.00 59.36 58.42 2crq h GLU 41 Cb 1.13 -0.13 -0.25 0.00 0.50 0.00 0.00 28.75 30.00 2crq h GLU 41 CO -0.26 0.39 0.55 1.63 -1.00 0.00 0.00 179.01 180.32 2crq n LYS 42 N -4.71 2.04 -4.04 2.33 5.02 0.23 -4.89 118.16 114.14 2crq n LYS 42 Ca 0.23 -2.47 -0.27 0.00 -2.02 0.00 0.00 58.31 53.79 2crq n LYS 42 Cb 0.67 -1.97 -0.04 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.82 -2.87 -3.72 1.97 4.76 0.15 -4.93 118.16 112.70 2crq n LYS 43 Ca 0.49 0.35 -0.38 0.00 -2.87 0.00 0.00 58.31 55.90 2crq n LYS 43 Cb 1.40 -4.41 -0.12 0.00 -1.84 0.00 0.00 35.03 30.06 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 -3.98 3.21 -0.07 2.13 2.02 -1.08 -5.01 117.35 114.57 2crq s TYR 44 Ca 0.07 -1.13 -0.34 0.00 -0.37 0.00 0.00 57.07 55.30 2crq s TYR 44 Cb -0.04 -2.30 -0.11 0.00 -0.40 0.00 0.00 41.96 39.11 2crq s TYR 44 CO 0.91 -0.64 1.89 0.72 -1.57 0.00 0.00 175.55 176.86 2crq n HIS 45 N 4.87 2.36 -3.75 2.71 8.25 -1.26 -4.10 115.22 124.30 2crq n HIS 45 Ca -0.13 -0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 56.90 2crq n HIS 45 Cb 0.46 -2.68 -0.12 0.00 1.12 0.00 0.00 29.99 28.77 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 4.06 3.95 -0.39 1.59 1.01 -1.23 -1.56 120.40 127.83 2crq s VAL 46 Ca 0.92 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.93 2crq s VAL 46 Cb -0.66 -3.08 0.01 0.00 0.00 0.00 0.00 36.38 32.65 2crq s VAL 46 CO 0.50 0.01 0.50 -1.58 0.00 0.00 0.00 175.10 174.53 2crq s GLN 47 N 1.48 3.40 -0.06 2.72 0.74 -0.35 -2.60 119.66 125.00 2crq s GLN 47 Ca 0.02 -0.40 -0.03 0.00 0.05 0.00 0.00 55.36 55.00 2crq s GLN 47 Cb -0.18 -3.88 -0.04 0.00 1.10 0.00 0.00 33.01 30.02 2crq s GLN 47 CO 0.03 -0.76 0.08 0.08 -0.55 0.00 0.00 175.29 174.16 2crq s VAL 48 N 2.36 4.85 -0.19 1.34 1.01 -0.20 -1.01 120.40 128.56 2crq s VAL 48 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2crq s VAL 48 Cb -0.16 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.15 2crq s VAL 48 CO 0.14 0.50 0.08 -0.89 0.00 0.00 0.00 175.10 174.94 2crq s THR 49 N -1.06 0.06 0.03 3.92 2.01 -0.78 -1.64 115.64 118.18 2crq s THR 49 Ca 0.18 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.64 2crq s THR 49 Cb -0.12 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.61 2crq s THR 49 CO 0.08 -0.32 0.63 -0.63 -0.69 0.00 0.00 174.62 173.69 2crq s ILE 50 N 2.07 4.81 -0.26 1.82 1.01 -0.40 -3.21 121.20 127.03 2crq s ILE 50 Ca 0.02 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.00 2crq s ILE 50 Cb -0.16 -3.97 0.04 0.00 0.01 0.00 0.00 42.46 38.39 2crq s ILE 50 CO -0.12 0.45 -0.08 -0.54 0.00 0.00 0.00 174.94 174.65 2crq s LYS 51 N -0.43 2.53 0.77 2.79 1.02 -1.21 -2.60 119.74 122.61 2crq s LYS 51 Ca 0.32 -1.17 -0.16 0.00 0.02 0.00 0.00 55.97 54.98 2crq s LYS 51 Cb -0.19 -2.95 -0.14 0.00 -0.52 0.00 0.00 37.83 34.03 2crq s LYS 51 CO 0.19 -0.50 -0.55 0.54 -0.92 0.00 0.00 175.35 174.12 2crq n ARG 52 N 4.56 0.00 -3.61 1.68 5.12 -1.16 -3.06 116.66 120.18 2crq n ARG 52 Ca -0.15 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.57 2crq n ARG 52 Cb 0.45 -0.92 -0.02 0.00 -1.16 0.00 0.00 32.46 30.81 2crq n ARG 52 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2crq s ARG 53 N -1.55 2.86 0.23 5.56 3.03 -1.26 -4.74 118.95 123.07 2crq s ARG 53 Ca 0.42 -1.21 -0.11 0.00 2.03 0.00 0.00 55.73 56.86 2crq s ARG 53 Cb -0.26 -2.61 -0.07 0.00 -1.03 0.00 0.00 34.95 30.98 2crq s ARG 53 CO 0.71 0.03 0.57 0.21 -1.13 0.00 0.00 175.30 175.70 2crq s LYS 54 N -4.09 3.85 -1.37 3.89 2.20 -1.26 -4.05 119.74 118.90 2crq s LYS 54 Ca 0.44 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 2crq s LYS 54 Cb -0.07 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.59 2crq s LYS 54 CO 0.29 0.32 0.00 -0.25 -0.36 0.00 0.00 175.35 175.34 2crq n ASP 55 N -0.04 -4.67 -4.33 1.43 8.00 -1.26 -4.98 116.55 110.70 2crq n ASP 55 Ca 0.00 0.05 -0.38 0.00 0.71 0.00 0.00 54.79 55.18 2crq n ASP 55 Cb 0.52 -3.76 -0.12 0.00 -0.02 0.00 0.00 41.12 37.74 2crq n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2crq s ALA 56 N -2.74 3.09 -0.76 2.24 0.00 -1.26 -4.98 121.76 117.36 2crq s ALA 56 Ca 0.00 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 2crq s ALA 56 Cb 0.00 -2.25 0.38 0.00 0.00 0.00 0.00 23.12 21.26 2crq s ALA 56 CO 0.00 -1.11 1.94 -0.85 0.00 0.00 0.00 175.76 175.74 2crq n GLU 57 N 4.87 2.81 -2.91 0.00 0.28 -1.26 -4.98 120.64 119.45 2crq n GLU 57 Ca -0.13 -3.55 -0.17 0.00 -0.16 0.00 0.00 57.16 53.14 2crq n GLU 57 Cb 0.47 -2.27 0.03 0.00 1.43 0.00 0.00 31.44 31.09 2crq n GLU 57 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2crq n GLN 58 N -0.64 0.79 -2.93 3.44 1.13 -1.26 -5.14 117.38 112.76 2crq n GLN 58 Ca 0.55 -2.51 -0.19 0.00 -1.94 0.00 0.00 57.00 52.91 2crq n GLN 58 Cb 0.40 0.06 0.02 0.00 0.11 0.00 0.00 30.24 30.82 2crq n GLN 58 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2crq s SER 59 N -3.60 5.57 0.13 1.08 0.01 -1.26 -5.02 113.70 110.61 2crq s SER 59 Ca 0.35 -0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 2crq s SER 59 Cb -0.03 -0.83 -0.01 0.00 0.21 0.00 0.00 66.02 65.36 2crq s SER 59 CO 0.22 -0.85 1.58 1.05 0.41 0.00 0.00 173.24 175.65 2crq h GLU 60 N 0.46 0.77 -1.28 12.44 -0.00 -2.01 -2.96 114.58 122.00 2crq h GLU 60 Ca -0.42 -0.25 0.46 0.00 -0.00 0.00 0.00 59.36 59.16 2crq h GLU 60 Cb 1.28 -0.07 -0.15 0.00 -0.00 0.00 0.00 28.75 29.82 2crq h GLU 60 CO 0.49 0.84 0.80 -0.85 -0.00 0.00 0.00 179.01 180.29 2crq n GLU 61 N -4.40 -0.04 -0.11 1.06 0.28 -1.26 0.13 120.64 116.31 2crq n GLU 61 Ca -0.00 1.27 -0.09 0.00 -0.16 0.00 0.00 57.16 58.19 2crq n GLU 61 Cb 0.30 -2.46 -0.01 0.00 1.43 0.00 0.00 31.44 30.71 2crq n GLU 61 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2crq h GLU 62 N 0.00 0.47 0.00 3.44 4.39 -1.93 -0.71 114.58 120.24 2crq h GLU 62 Ca 0.87 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.53 2crq h GLU 62 Cb 2.69 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 31.23 2crq h GLU 62 CO -0.53 0.32 -0.04 1.15 -1.16 0.00 0.00 179.01 178.74 2crq h THR 63 N 0.48 0.65 0.11 1.13 2.02 0.97 -2.58 112.91 115.69 2crq h THR 63 Ca 0.13 -0.18 -0.16 0.00 0.77 0.00 0.00 66.41 66.97 2crq h THR 63 Cb -0.04 1.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2crq h THR 63 CO -0.03 0.04 -0.70 -0.33 0.37 0.00 0.00 175.52 174.88 2crq h GLU 64 N 0.00 0.28 -0.84 6.66 3.07 -1.00 -3.33 114.58 119.42 2crq h GLU 64 Ca -0.00 -0.45 0.21 0.00 -0.50 0.00 0.00 59.36 58.63 2crq h GLU 64 Cb 0.11 0.16 -0.14 0.00 -0.84 0.00 0.00 28.75 28.04 2crq h GLU 64 CO 0.01 1.20 0.16 0.93 -1.40 0.00 0.00 179.01 179.91 2crq h GLU 65 N -0.41 0.17 -0.99 2.33 4.39 -0.75 -1.08 114.58 118.24 2crq h GLU 65 Ca -0.12 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.70 2crq h GLU 65 Cb 1.53 -0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 30.00 2crq h GLU 65 CO 0.13 0.11 -0.48 0.82 -1.16 0.00 0.00 179.01 178.44 2crq h ILE 66 N 0.18 0.00 -0.83 3.13 1.08 -1.65 0.45 117.51 119.87 2crq h ILE 66 Ca 0.51 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 65.18 2crq h ILE 66 Cb 0.98 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.59 2crq h ILE 66 CO -0.66 0.00 0.01 -0.26 -0.69 0.00 0.00 178.15 176.55 2crq h PHE 67 N -0.00 -0.05 0.74 1.37 0.04 -1.39 -1.26 116.94 116.40 2crq h PHE 67 Ca 0.26 0.06 -0.04 0.00 2.80 0.00 0.00 57.97 61.06 2crq h PHE 67 Cb 0.52 0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.83 2crq h PHE 67 CO -0.94 -0.29 -0.35 -0.91 -0.60 0.00 0.00 178.31 175.22 2crq h ASN 68 N 0.09 -0.84 -1.85 2.17 2.35 -0.22 -1.82 115.58 115.45 2crq h ASN 68 Ca 0.47 0.01 0.54 0.00 -0.55 0.00 0.00 56.30 56.76 2crq h ASN 68 Cb 0.86 0.22 -0.07 0.00 0.05 0.00 0.00 38.32 39.37 2crq h ASN 68 CO -0.74 -0.54 1.33 1.56 -1.65 0.00 0.00 177.43 177.40 2crq h GLN 69 N -1.10 0.00 0.12 0.81 4.20 -0.09 1.72 115.11 120.78 2crq h GLN 69 Ca -0.10 -0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.31 2crq h GLN 69 Cb 0.78 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.56 2crq h GLN 69 CO 0.17 0.00 -1.50 0.82 -0.67 0.00 0.00 178.83 177.64 2crq h ILE 70 N 0.00 1.19 0.00 2.54 2.04 -0.99 -3.31 117.51 118.98 2crq h ILE 70 Ca 0.88 -2.82 -0.03 0.00 1.00 0.00 0.00 64.86 63.89 2crq h ILE 70 Cb 3.54 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 42.40 2crq h ILE 70 CO -0.01 0.82 -0.15 0.25 0.00 0.00 0.00 178.15 179.06 2crq h LEU 71 N 0.07 0.00 -1.03 1.44 5.85 0.32 -3.04 115.31 118.92 2crq h LEU 71 Ca -0.23 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2crq h LEU 71 Cb 2.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.04 2crq h LEU 71 CO 0.17 0.15 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 2crq n GLN 72 N -3.20 0.11 -0.03 1.25 6.02 0.11 -0.65 117.38 120.98 2crq n GLN 72 Ca 0.02 0.58 -0.01 0.00 -0.01 0.00 0.00 57.00 57.57 2crq n GLN 72 Cb 0.49 -1.84 -0.14 0.00 1.02 0.00 0.00 30.24 29.77 2crq n GLN 72 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2crq n THR 73 N -2.08 0.98 -2.39 5.09 -2.24 -1.15 -4.45 114.28 108.04 2crq n THR 73 Ca -0.01 -0.71 -0.18 0.00 -2.27 0.00 0.00 64.05 60.88 2crq n THR 73 Cb 0.05 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.67 2.88 0.00 -0.78 0.00 -0.23 -4.82 117.12 111.49 2crq n MET 74 Ca -0.18 -4.02 0.07 0.00 0.00 0.00 0.00 57.70 53.58 2crq n MET 74 Cb 0.91 -2.01 0.38 0.00 0.00 0.00 0.00 33.22 32.50 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 -0.54 0.24 0.00 3.17 -0.04 0.17 0.74 135.00 138.75 2crq n PRO 75 Ca 0.31 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.90 2crq n PRO 75 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2crq n PRO 75 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2crq n ASP 76 N -1.26 0.12 -0.00 3.54 5.75 -1.26 -4.75 116.55 118.69 2crq n ASP 76 Ca 0.08 -0.44 0.02 0.00 -0.01 0.00 0.00 54.79 54.43 2crq n ASP 76 Cb 0.11 0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 2crq n ASP 76 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2crq n ILE 77 N -0.47 0.00 -3.81 2.12 3.06 -1.04 -4.84 119.36 114.38 2crq n ILE 77 Ca 0.00 -0.13 -0.13 0.00 -2.50 0.00 0.00 62.75 60.00 2crq n ILE 77 Cb 0.02 0.51 -0.14 0.00 0.54 0.00 0.00 39.64 40.57 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 -2.10 -0.18 0.09 1.51 0.00 0.23 -4.21 121.76 117.11 2crq s ALA 78 Ca -0.01 0.35 0.07 0.00 0.00 0.00 0.00 51.96 52.37 2crq s ALA 78 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 2crq s ALA 78 CO 0.14 -0.08 -0.18 -0.08 0.00 0.00 0.00 175.76 175.56 2crq s THR 79 N 0.45 1.49 -0.75 0.00 -1.32 -0.28 -4.19 115.64 111.05 2crq s THR 79 Ca -0.03 -1.48 -0.26 0.00 -1.21 0.00 0.00 61.69 58.71 2crq s THR 79 Cb -0.05 -1.40 -0.16 0.00 -1.51 0.00 0.00 72.50 69.39 2crq s THR 79 CO -0.02 -0.14 2.47 0.49 -2.21 0.00 0.00 174.62 175.22 2crq n PHE 80 N 1.11 0.97 0.13 9.09 3.72 -1.26 -2.48 117.46 128.74 2crq n PHE 80 Ca -0.20 0.16 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 2crq n PHE 80 Cb 0.54 -2.32 -0.06 0.00 -0.94 0.00 0.00 39.48 36.70 2crq n PHE 80 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2crq h SER 81 N 15.31 -0.34 -3.71 4.37 0.87 -1.40 -3.42 113.55 125.23 2crq h SER 81 Ca -0.11 -0.16 -0.65 0.00 -1.23 0.00 0.00 61.79 59.64 2crq h SER 81 Cb 1.22 0.09 -0.40 0.00 -0.44 0.00 0.00 62.40 62.87 2crq h SER 81 CO 1.26 0.13 -0.71 -0.44 -0.53 0.00 0.00 176.83 176.53 2crq s SER 82 N -5.16 4.66 0.11 6.23 0.01 -1.07 -4.92 113.70 113.56 2crq s SER 82 Ca -0.11 -2.21 -0.23 0.00 1.31 0.00 0.00 55.95 54.72 2crq s SER 82 Cb 0.01 -1.57 -0.13 0.00 0.21 0.00 0.00 66.02 64.54 2crq s SER 82 CO 0.37 -0.37 0.49 0.54 0.41 0.00 0.00 173.24 174.69 2crq n ARG 83 N 4.18 0.00 -2.04 12.44 3.00 -1.26 -3.04 116.66 129.93 2crq n ARG 83 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.57 2crq n ARG 83 Cb 0.41 -0.83 -0.04 0.00 0.00 0.00 0.00 32.46 31.99 2crq n ARG 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2crq s PRO 84 N -0.54 2.57 0.53 5.56 0.04 -1.26 -4.72 135.00 137.20 2crq s PRO 84 Ca 0.52 0.03 -0.05 0.00 0.04 0.00 0.00 61.00 61.54 2crq s PRO 84 Cb -0.75 -4.83 -0.01 0.00 0.04 0.00 0.00 34.50 28.95 2crq s PRO 84 CO 0.41 -3.16 0.83 -1.59 0.04 0.00 0.00 177.00 173.54 2crq s LYS 85 N 7.03 3.16 -0.21 4.56 0.00 -1.17 -4.83 119.74 128.29 2crq s LYS 85 Ca 0.69 0.01 -0.28 0.00 0.00 0.00 0.00 55.97 56.40 2crq s LYS 85 Cb -0.09 -2.34 0.00 0.00 0.00 0.00 0.00 37.83 35.40 2crq s LYS 85 CO 0.07 -0.47 0.96 0.00 0.00 0.00 0.00 175.35 175.91 2crq s ALA 86 N -2.85 3.61 0.29 0.59 0.00 -1.26 -3.10 121.76 119.04 2crq s ALA 86 Ca 0.51 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.70 2crq s ALA 86 Cb -0.10 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2crq s ALA 86 CO 0.44 -0.90 -0.09 0.96 0.00 0.00 0.00 175.76 176.17 2crq s ILE 87 N 2.80 2.79 -1.33 0.00 -4.36 0.93 -4.43 121.20 117.60 2crq s ILE 87 Ca 0.42 -2.16 -0.07 0.00 -0.26 0.00 0.00 60.65 58.58 2crq s ILE 87 Cb -0.16 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 40.97 2crq s ILE 87 CO 0.09 -0.34 0.52 0.54 0.24 0.00 0.00 174.94 175.98 2crq n ARG 88 N -0.78 -2.65 -1.43 0.37 1.74 -1.26 -0.18 116.66 112.47 2crq n ARG 88 Ca -0.05 0.40 -0.10 0.00 -0.77 0.00 0.00 57.85 57.33 2crq n ARG 88 Cb 0.60 -4.33 -0.04 0.00 -1.02 0.00 0.00 32.46 27.67 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 -1.92 0.97 3.07 -0.13 0.00 -1.26 -2.86 105.19 103.06 2crq n GLY 89 Ca -0.25 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.64 2.67 0.53 -0.02 0.00 0.75 -4.82 105.19 102.66 2crq n GLY 90 Ca -0.10 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.22 2crq n GLY 90 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2crq n THR 91 N -0.23 0.00 -4.04 2.61 -2.24 -1.14 -4.35 114.28 104.90 2crq n THR 91 Ca 0.00 1.22 -0.07 0.00 -2.27 0.00 0.00 64.05 62.92 2crq n THR 91 Cb 0.00 -2.15 -0.09 0.00 -2.10 0.00 0.00 70.33 65.98 2crq n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crq s ALA 92 N -4.36 0.34 0.04 6.98 0.00 -1.07 -3.01 121.76 120.69 2crq s ALA 92 Ca -0.03 -1.07 0.04 0.00 0.00 0.00 0.00 51.96 50.90 2crq s ALA 92 Cb 0.15 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.57 2crq s ALA 92 CO 0.51 -0.40 -0.12 0.45 0.00 0.00 0.00 175.76 176.20 2crq s SER 93 N -2.90 1.41 0.01 0.00 0.15 -1.07 -0.05 113.70 111.24 2crq s SER 93 Ca 0.06 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.28 2crq s SER 93 Cb 0.07 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2crq s SER 93 CO -0.10 -0.03 -0.13 -0.32 1.20 0.00 0.00 173.24 173.86 2crq s MET 94 N -1.25 0.96 0.09 5.44 0.00 -1.18 -1.28 119.30 122.07 2crq s MET 94 Ca -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 55.69 54.97 2crq s MET 94 Cb -0.08 -0.94 0.03 0.00 0.00 0.00 0.00 34.83 33.84 2crq s MET 94 CO 0.01 0.25 0.39 0.00 0.00 0.00 0.00 175.02 175.67 2crq s VAL 96 N -3.24 2.31 -0.09 0.00 1.01 -1.17 -1.03 120.40 118.19 2crq s VAL 96 Ca -0.00 -2.25 0.02 0.00 0.00 0.00 0.00 61.98 59.74 2crq s VAL 96 Cb 0.01 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.21 2crq s VAL 96 CO -0.08 -0.34 -0.13 -0.36 0.00 0.00 0.00 175.10 174.19 2crq s PHE 97 N -2.31 1.74 0.14 5.22 0.40 -1.07 -1.05 117.98 121.04 2crq s PHE 97 Ca 0.26 -0.76 0.08 0.00 -0.60 0.00 0.00 56.93 55.91 2crq s PHE 97 Cb -0.05 -1.27 -0.04 0.00 0.51 0.00 0.00 43.02 42.16 2crq s PHE 97 CO 0.12 -0.40 -0.19 -0.98 0.70 0.00 0.00 175.22 174.47 2crq s ARG 98 N 0.93 1.20 0.55 0.44 1.70 -1.04 -3.51 118.95 119.23 2crq s ARG 98 Ca -0.09 -1.30 -0.17 0.00 -0.47 0.00 0.00 55.73 53.71 2crq s ARG 98 Cb -0.15 -1.34 -0.06 0.00 -0.57 0.00 0.00 34.95 32.83 2crq s ARG 98 CO 0.00 0.29 1.03 -1.58 -1.08 0.00 0.00 175.30 173.96 2crq s HIS 99 N -1.67 3.11 -0.14 5.89 5.65 -1.26 -1.12 115.29 125.75 2crq s HIS 99 Ca 0.12 1.51 -0.29 0.00 0.25 0.00 0.00 55.06 56.65 2crq s HIS 99 Cb -0.08 -2.96 -0.04 0.00 -1.18 0.00 0.00 32.58 28.32 2crq s HIS 99 CO 0.05 -0.85 1.66 -0.51 -0.65 0.00 0.00 174.74 174.44 2crq s LEU 100 N -4.18 4.07 0.10 8.88 1.43 -1.26 -4.82 118.68 122.90 2crq s LEU 100 Ca 0.63 1.91 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 2crq s LEU 100 Cb -0.14 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2crq s LEU 100 CO 0.32 -1.14 0.00 -1.20 0.23 0.00 0.00 176.35 174.56 2crq n SER 101 N 7.99 0.77 -0.01 2.29 7.64 -1.26 -4.84 113.62 126.19 2crq n SER 101 Ca 0.19 0.15 -0.01 0.00 1.01 0.00 0.00 58.87 60.20 2crq n SER 101 Cb 0.44 -0.20 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2crq n SER 101 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2crq n LYS 102 N -3.39 0.09 -1.57 1.43 4.01 -1.26 -4.68 118.16 112.78 2crq n LYS 102 Ca 0.00 0.06 -0.41 0.00 -0.51 0.00 0.00 58.31 57.45 2crq n LYS 102 Cb 0.09 -0.68 -0.01 0.00 -0.51 0.00 0.00 35.03 33.92 2crq n LYS 102 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2crq n LYS 103 N -2.81 2.99 -1.71 1.97 4.81 -1.26 -4.95 118.16 117.21 2crq n LYS 103 Ca -0.02 -2.44 -0.31 0.00 -0.87 0.00 0.00 58.31 54.67 2crq n LYS 103 Cb 0.08 -3.13 0.03 0.00 0.02 0.00 0.00 35.03 32.04 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 3.02 3.21 0.77 1.64 -1.05 -1.26 -4.97 118.70 120.06 2crq s GLU 104 Ca 0.53 0.88 -0.08 0.00 -0.15 0.00 0.00 54.97 56.16 2crq s GLU 104 Cb 0.15 -2.03 0.10 0.00 -0.44 0.00 0.00 34.13 31.91 2crq s GLU 104 CO -0.07 -0.88 1.09 -1.21 0.95 0.00 0.00 175.26 175.14 2crq s GLU 105 N -5.06 1.78 0.00 -4.83 8.01 -1.26 -5.01 118.70 112.33 2crq s GLU 105 Ca 0.57 -0.39 -0.30 0.00 0.01 0.00 0.00 54.97 54.86 2crq s GLU 105 Cb -0.13 -2.11 -0.06 0.00 -4.31 0.00 0.00 34.13 27.52 2crq s GLU 105 CO 0.54 -1.54 1.43 0.15 0.01 0.00 0.00 175.26 175.84 2crq s LYS 106 N -5.39 4.27 -0.71 1.61 3.01 -1.26 -3.00 119.74 118.27 2crq s LYS 106 Ca 0.64 2.00 -0.03 0.00 -1.01 0.00 0.00 55.97 57.57 2crq s LYS 106 Cb -0.09 -3.59 0.00 0.00 -1.01 0.00 0.00 37.83 33.15 2crq s LYS 106 CO 0.47 -0.60 0.61 0.45 0.51 0.00 0.00 175.35 176.79 2crq n SER 107 N 5.44 -3.31 -3.03 2.83 2.88 -1.26 -5.00 113.62 112.17 2crq n SER 107 Ca 0.13 -0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 57.17 2crq n SER 107 Cb 0.43 -3.04 -0.02 0.00 -0.75 0.00 0.00 64.21 60.83 2crq n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crq n GLY 108 N -1.22 1.85 3.66 0.46 0.00 -1.16 -5.14 105.19 103.64 2crq n GLY 108 Ca -0.07 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.54 0.16 0.41 1.61 0.04 -1.26 -4.50 135.00 130.93 2crq s PRO 109 Ca 0.34 0.43 0.03 0.00 0.04 0.00 0.00 61.00 61.84 2crq s PRO 109 Cb 0.20 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.99 2crq s PRO 109 CO -0.16 -2.89 0.08 0.45 0.04 0.00 0.00 177.00 174.52 2crq s SER 110 N -3.50 3.08 0.21 6.66 0.15 -1.26 -5.11 113.70 113.93 2crq s SER 110 Ca 0.66 -1.58 0.10 0.00 0.70 0.00 0.00 55.95 55.83 2crq s SER 110 Cb -0.18 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2crq s SER 110 CO 0.58 -0.81 -0.15 -0.44 1.20 0.00 0.00 173.24 173.62 2crq s SER 111 N -3.65 3.91 0.00 5.45 0.01 -1.26 -5.22 113.70 112.94 2crq s SER 111 Ca 0.23 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2crq s SER 111 Cb 0.04 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2crq s SER 111 CO 0.12 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.47