#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 -0.07 0.14 1.61 0.01 -1.26 -5.18 113.70 108.95 2crq s SER 2 Ca 0.00 -0.33 -0.25 0.00 1.31 0.00 0.00 55.95 56.68 2crq s SER 2 Cb 0.00 0.37 0.06 0.00 0.21 0.00 0.00 66.02 66.66 2crq s SER 2 CO 0.00 -0.68 0.85 -0.55 0.41 0.00 0.00 173.24 173.28 2crq s SER 3 N -2.37 -0.29 0.00 2.44 0.15 -1.26 -5.19 113.70 107.19 2crq s SER 3 Ca -0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2crq s SER 3 Cb 0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2crq s SER 3 CO -0.07 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2crq n GLY 4 N -0.40 6.68 3.83 9.45 0.00 -1.26 -5.18 105.19 118.31 2crq n GLY 4 Ca -0.08 -1.86 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 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 0.78 -0.13 0.52 1.61 0.01 -1.26 -5.19 113.70 110.04 2crq s SER 5 Ca 0.00 -0.87 0.07 0.00 1.31 0.00 0.00 55.95 56.46 2crq s SER 5 Cb 0.00 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.05 2crq s SER 5 CO 0.00 -1.51 0.46 -0.94 0.41 0.00 0.00 173.24 171.66 2crq s SER 6 N -2.99 4.79 0.04 2.44 1.04 -1.26 -5.15 113.70 112.61 2crq s SER 6 Ca 0.13 -1.08 0.05 0.00 0.48 0.00 0.00 55.95 55.54 2crq s SER 6 Cb -0.06 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 2crq s SER 6 CO 0.09 -1.04 -0.15 -0.83 0.98 0.00 0.00 173.24 172.28 2crq s GLY 7 N -4.31 0.85 0.44 7.32 0.00 -1.26 -5.15 107.32 105.21 2crq s GLY 7 Ca 0.42 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 2crq s GLY 7 CO 0.26 -0.85 0.39 -1.55 0.00 0.00 0.00 173.10 171.35 2crq n PRO 8 N 1.85 -1.78 -4.07 2.90 -0.04 -1.26 -5.09 135.00 127.51 2crq n PRO 8 Ca -0.18 -0.62 -0.13 0.00 -0.04 0.00 0.00 63.50 62.53 2crq n PRO 8 Cb 0.54 -0.58 -0.12 0.00 -0.04 0.00 0.00 33.50 33.30 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 -3.88 0.51 0.26 0.54 0.00 -1.26 -5.16 119.74 110.75 2crq s LYS 9 Ca 0.25 -0.69 -0.18 0.00 0.00 0.00 0.00 55.97 55.35 2crq s LYS 9 Cb -0.02 -0.30 0.02 0.00 0.00 0.00 0.00 37.83 37.52 2crq s LYS 9 CO 0.19 0.06 0.62 0.95 0.00 0.00 0.00 175.35 177.17 2crq s THR 10 N -1.23 0.00 -5.00 3.79 -4.23 -1.26 -5.17 115.64 102.54 2crq s THR 10 Ca -0.09 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 2crq s THR 10 Cb -0.09 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2crq s THR 10 CO 0.00 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2crq n GLY 11 N -0.42 0.70 3.68 3.99 0.00 -1.26 -5.13 105.19 106.75 2crq n GLY 11 Ca -0.05 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.00 0.45 -0.43 1.61 0.04 -1.26 -4.37 135.00 129.04 2crq s PRO 12 Ca 0.00 0.53 -0.01 0.00 0.04 0.00 0.00 61.00 61.56 2crq s PRO 12 Cb 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.80 2crq s PRO 12 CO 0.00 -2.72 0.37 2.41 0.04 0.00 0.00 177.00 177.10 2crq n THR 13 N -4.17 -1.53 -3.35 1.26 -1.04 -1.26 -5.04 114.28 99.14 2crq n THR 13 Ca 0.05 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 2crq n THR 13 Cb 0.57 -2.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.19 2crq n THR 13 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2crq s MET 14 N -4.93 0.35 -0.07 -2.82 0.00 -1.26 -5.16 119.30 105.41 2crq s MET 14 Ca 0.09 0.80 0.03 0.00 0.00 0.00 0.00 55.69 56.61 2crq s MET 14 Cb -0.04 0.47 0.01 0.00 0.00 0.00 0.00 34.83 35.27 2crq s MET 14 CO 0.24 -0.20 -0.16 0.99 0.00 0.00 0.00 175.02 175.89 2crq s THR 15 N 2.67 1.43 0.01 10.11 2.01 -1.26 -4.61 115.64 125.99 2crq s THR 15 Ca 0.00 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 2crq s THR 15 Cb -0.09 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2crq s THR 15 CO -0.17 0.42 0.23 -0.54 -0.69 0.00 0.00 174.62 173.87 2crq s LYS 16 N 0.51 3.51 0.25 4.92 -0.14 -1.01 -5.03 119.74 122.75 2crq s LYS 16 Ca -0.15 -0.22 0.05 0.00 -1.36 0.00 0.00 55.97 54.29 2crq s LYS 16 Cb -0.16 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 32.87 2crq s LYS 16 CO 0.05 0.64 -0.04 -1.21 -0.76 0.00 0.00 175.35 174.04 2crq s GLU 17 N -1.97 1.43 -0.20 1.68 8.01 -1.26 -0.81 118.70 125.59 2crq s GLU 17 Ca 0.29 -1.72 -0.10 0.00 0.01 0.00 0.00 54.97 53.45 2crq s GLU 17 Cb -0.13 -0.88 0.07 0.00 -4.31 0.00 0.00 34.13 28.88 2crq s GLU 17 CO 0.19 -0.02 0.46 -1.17 0.01 0.00 0.00 175.26 174.73 2crq s LEU 18 N -3.37 -0.36 -0.07 1.80 2.96 0.18 -4.84 118.68 114.98 2crq s LEU 18 Ca 0.28 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 55.24 2crq s LEU 18 Cb 0.05 1.54 0.02 0.00 0.50 0.00 0.00 46.19 48.30 2crq s LEU 18 CO 0.10 -0.21 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.14 2crq s VAL 19 N 1.70 0.93 -0.08 1.68 1.01 -1.26 -0.95 120.40 123.42 2crq s VAL 19 Ca -0.08 -0.33 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 2crq s VAL 19 Cb -0.09 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.47 2crq s VAL 19 CO -0.14 0.32 0.67 0.72 0.00 0.00 0.00 175.10 176.66 2crq s PHE 20 N 0.95 -0.66 0.31 5.22 -0.12 -1.11 -5.01 117.98 117.55 2crq s PHE 20 Ca -0.10 1.22 -0.27 0.00 -0.05 0.00 0.00 56.93 57.73 2crq s PHE 20 Cb -0.15 0.37 -0.10 0.00 -0.63 0.00 0.00 43.02 42.52 2crq s PHE 20 CO 0.00 -0.56 0.95 -1.54 -0.05 0.00 0.00 175.22 174.03 2crq s SER 21 N -0.93 7.39 0.64 1.98 1.04 -1.26 -3.05 113.70 119.51 2crq s SER 21 Ca -0.09 1.88 0.30 0.00 0.48 0.00 0.00 55.95 58.52 2crq s SER 21 Cb -0.01 -2.59 1.62 0.00 0.10 0.00 0.00 66.02 65.15 2crq s SER 21 CO 0.08 -0.03 1.95 -1.28 0.98 0.00 0.00 173.24 174.94 2crq h SER 22 N 3.39 0.00 -0.70 7.02 0.87 -1.92 -0.20 113.55 122.01 2crq h SER 22 Ca -0.46 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.25 2crq h SER 22 Cb 1.19 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2crq h SER 22 CO 0.66 0.00 0.48 -1.13 -0.53 0.00 0.00 176.83 176.30 2crq h ASN 23 N 0.00 0.27 -0.82 6.23 -1.24 -1.91 -3.43 115.58 114.68 2crq h ASN 23 Ca 0.06 0.02 -0.56 0.00 0.71 0.00 0.00 56.30 56.52 2crq h ASN 23 Cb 0.75 -0.04 0.08 0.00 0.73 0.00 0.00 38.32 39.84 2crq h ASN 23 CO -0.00 0.14 -0.37 0.00 -1.29 0.00 0.00 177.43 175.91 2crq n ILE 24 N -4.44 1.43 -2.98 2.57 3.06 -0.09 -4.95 119.36 113.96 2crq n ILE 24 Ca 0.13 -0.36 -0.17 0.00 -2.50 0.00 0.00 62.75 59.86 2crq n ILE 24 Cb 0.57 0.00 0.06 0.00 0.54 0.00 0.00 39.64 40.81 2crq n ILE 24 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2crq n GLY 25 N 1.59 1.81 0.07 4.50 0.00 -1.26 -4.88 105.19 107.01 2crq n GLY 25 Ca 0.15 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.86 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 0.08 -0.95 1.61 5.75 -1.97 0.20 115.11 119.83 2crq h GLN 26 Ca -0.23 -0.02 0.27 0.00 -0.15 0.00 0.00 58.65 58.51 2crq h GLN 26 Cb 1.04 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.45 2crq h GLN 26 CO 0.32 0.33 0.45 0.45 -2.65 0.00 0.00 178.83 177.73 2crq h HIS 27 N -0.18 0.74 0.00 3.99 3.86 -2.00 0.21 115.15 121.76 2crq h HIS 27 Ca 0.01 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2crq h HIS 27 Cb 0.29 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.59 2crq h HIS 27 CO 0.02 -0.13 -0.13 -0.44 0.86 0.00 0.00 177.93 178.12 2crq h ASP 28 N 0.35 0.00 -1.62 2.45 3.32 -1.92 -3.34 116.42 115.65 2crq h ASP 28 Ca 0.64 0.00 0.49 0.00 0.02 0.00 0.00 57.03 58.18 2crq h ASP 28 Cb 1.34 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.80 2crq h ASP 28 CO -0.59 0.54 1.12 0.25 -1.72 0.00 0.00 179.24 178.84 2crq h LEU 29 N -0.94 0.10 -0.69 1.55 5.85 -0.28 0.52 115.31 121.41 2crq h LEU 29 Ca 0.00 0.06 0.14 0.00 0.84 0.00 0.00 57.88 58.92 2crq h LEU 29 Cb 0.13 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 2crq h LEU 29 CO 0.00 -0.08 0.19 -0.78 -0.34 0.00 0.00 178.44 177.42 2crq h ASP 30 N 0.03 0.07 -0.46 1.25 3.58 -0.72 -0.67 116.42 119.50 2crq h ASP 30 Ca 0.85 0.13 -0.13 0.00 0.42 0.00 0.00 57.03 58.30 2crq h ASP 30 Cb 3.12 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 44.31 2crq h ASP 30 CO -0.18 0.01 -0.21 0.74 -2.88 0.00 0.00 179.24 176.71 2crq h THR 31 N 0.30 1.27 -0.03 2.25 2.02 -0.14 -3.24 112.91 115.35 2crq h THR 31 Ca 0.38 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.20 2crq h THR 31 Cb 0.60 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2crq h THR 31 CO -0.45 0.47 -0.32 0.11 0.37 0.00 0.00 175.52 175.71 2crq h LYS 32 N 0.84 -0.36 -0.90 6.66 1.79 -1.08 0.35 116.57 123.88 2crq h LYS 32 Ca 0.11 0.02 0.22 0.00 -2.18 0.00 0.00 60.65 58.83 2crq h LYS 32 Cb 0.79 0.08 -0.16 0.00 -1.58 0.00 0.00 32.23 31.36 2crq h LYS 32 CO 0.07 -0.24 0.00 0.77 -1.08 0.00 0.00 179.45 178.97 2crq h SER 33 N -0.37 -0.45 -0.81 0.86 0.02 -1.52 0.85 113.55 112.13 2crq h SER 33 Ca 0.01 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2crq h SER 33 Cb 0.41 0.43 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2crq h SER 33 CO -0.23 -0.27 0.47 0.11 -1.14 0.00 0.00 176.83 175.77 2crq h LYS 34 N 0.06 1.13 0.26 3.45 1.57 -1.34 0.40 116.57 122.08 2crq h LYS 34 Ca 0.51 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 2crq h LYS 34 Cb 0.98 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2crq h LYS 34 CO -0.82 0.81 -0.12 1.96 -0.57 0.00 0.00 179.45 180.70 2crq h GLN 35 N 1.14 -0.33 0.25 3.15 1.08 0.27 -3.13 115.11 117.54 2crq h GLN 35 Ca 0.29 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.51 2crq h GLN 35 Cb -0.01 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2crq h GLN 35 CO -0.05 -0.02 -0.19 0.82 -0.95 0.00 0.00 178.83 178.45 2crq h ILE 36 N -0.67 0.60 -0.93 2.54 2.04 -0.78 -2.78 117.51 117.52 2crq h ILE 36 Ca -0.04 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.04 2crq h ILE 36 Cb 0.47 0.60 -0.18 0.00 -0.74 0.00 0.00 36.82 36.97 2crq h ILE 36 CO 0.06 0.00 -0.14 1.67 0.00 0.00 0.00 178.15 179.74 2crq n GLN 37 N -5.31 -0.08 0.00 2.37 7.27 0.12 0.11 117.38 121.86 2crq n GLN 37 Ca -0.09 1.43 -0.11 0.00 0.07 0.00 0.00 57.00 58.31 2crq n GLN 37 Cb 0.22 -2.19 -0.04 0.00 2.41 0.00 0.00 30.24 30.64 2crq n GLN 37 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2crq h GLN 38 N 0.00 -0.39 -0.18 3.69 1.08 -1.43 -1.93 115.11 115.95 2crq h GLN 38 Ca 0.49 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.77 2crq h GLN 38 Cb 0.86 0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 28.31 2crq h GLN 38 CO -0.93 -0.26 -0.21 -1.49 -0.95 0.00 0.00 178.83 174.99 2crq h TRP 39 N -0.41 -0.56 -0.55 2.96 6.55 -0.34 -2.47 115.95 121.14 2crq h TRP 39 Ca 0.09 0.03 0.10 0.00 0.95 0.00 0.00 58.89 60.06 2crq h TRP 39 Cb 0.55 0.27 -0.11 0.00 -0.86 0.00 0.00 29.16 29.02 2crq h TRP 39 CO -0.41 -0.29 -0.36 0.82 -1.05 0.00 0.00 178.44 177.15 2crq h ILE 40 N -0.25 0.16 -1.00 1.49 1.08 -0.81 0.76 117.51 118.95 2crq h ILE 40 Ca 0.12 0.00 0.31 0.00 -0.39 0.00 0.00 64.86 64.90 2crq h ILE 40 Cb 0.42 0.16 -0.18 0.00 -3.07 0.00 0.00 36.82 34.14 2crq h ILE 40 CO -0.32 0.00 0.18 -0.33 -0.69 0.00 0.00 178.15 176.99 2crq h GLU 41 N -0.20 0.01 -1.50 2.37 4.39 -0.88 1.32 114.58 120.10 2crq h GLU 41 Ca 0.21 -0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.62 2crq h GLU 41 Cb 0.55 -0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.08 2crq h GLU 41 CO -0.66 0.00 0.37 1.63 -1.16 0.00 0.00 179.01 179.19 2crq n LYS 42 N -5.42 1.70 -3.71 2.33 5.02 0.24 -4.85 118.16 113.47 2crq n LYS 42 Ca 0.28 -1.40 -0.22 0.00 -2.02 0.00 0.00 58.31 54.95 2crq n LYS 42 Cb 0.92 -1.55 -0.04 0.00 -0.02 0.00 0.00 35.03 34.34 2crq n LYS 42 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2crq n LYS 43 N 0.37 -0.83 -4.15 1.97 0.00 0.45 -4.87 118.16 111.10 2crq n LYS 43 Ca 0.27 -0.02 -0.35 0.00 -0.00 0.00 0.00 58.31 58.21 2crq n LYS 43 Cb 0.63 -1.81 -0.09 0.00 -0.00 0.00 0.00 35.03 33.75 2crq n LYS 43 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2crq s TYR 44 N -3.92 3.28 -0.62 5.58 2.02 -1.07 -5.02 117.35 117.60 2crq s TYR 44 Ca 0.09 0.21 -0.27 0.00 -0.37 0.00 0.00 57.07 56.73 2crq s TYR 44 Cb -0.05 -1.92 0.01 0.00 -0.40 0.00 0.00 41.96 39.60 2crq s TYR 44 CO 0.60 0.41 1.43 -1.01 -1.57 0.00 0.00 175.55 175.41 2crq s HIS 45 N -0.48 2.20 -0.37 2.71 3.76 -1.26 -4.38 115.29 117.47 2crq s HIS 45 Ca 0.10 0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 55.20 2crq s HIS 45 Cb -0.12 -4.43 0.00 0.00 1.11 0.00 0.00 32.58 29.15 2crq s HIS 45 CO 0.02 -2.04 0.42 0.08 -0.85 0.00 0.00 174.74 172.37 2crq s VAL 46 N 6.36 5.11 -0.35 -0.90 1.01 -1.25 -2.42 120.40 127.96 2crq s VAL 46 Ca 0.49 -0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 2crq s VAL 46 Cb -0.10 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2crq s VAL 46 CO 0.21 -0.24 0.45 -1.58 0.00 0.00 0.00 175.10 173.94 2crq s GLN 47 N 2.14 3.55 -0.04 2.72 0.74 0.01 -2.10 119.66 126.69 2crq s GLN 47 Ca 0.13 -0.30 -0.00 0.00 0.05 0.00 0.00 55.36 55.24 2crq s GLN 47 Cb -0.16 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.09 2crq s GLN 47 CO 0.13 -0.62 0.01 0.08 -0.55 0.00 0.00 175.29 174.33 2crq s VAL 48 N 2.24 4.27 -0.05 1.34 1.01 -0.27 0.47 120.40 129.42 2crq s VAL 48 Ca 0.16 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 2crq s VAL 48 Cb -0.16 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.40 2crq s VAL 48 CO 0.13 0.49 0.02 -0.89 0.00 0.00 0.00 175.10 174.85 2crq s THR 49 N -0.99 0.18 -0.33 3.92 2.01 -0.12 -1.62 115.64 118.69 2crq s THR 49 Ca 0.17 0.19 -0.13 0.00 0.31 0.00 0.00 61.69 62.22 2crq s THR 49 Cb -0.11 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 2crq s THR 49 CO 0.06 0.20 0.28 -0.63 -0.69 0.00 0.00 174.62 173.84 2crq s ILE 50 N 1.72 5.25 -1.05 1.82 1.01 -0.21 -2.77 121.20 126.96 2crq s ILE 50 Ca 0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 2crq s ILE 50 Cb -0.13 -3.72 0.06 0.00 0.01 0.00 0.00 42.46 38.68 2crq s ILE 50 CO -0.03 0.01 1.47 -0.54 0.00 0.00 0.00 174.94 175.85 2crq s LYS 51 N 1.83 3.65 -0.03 2.79 1.02 -1.17 -2.73 119.74 125.10 2crq s LYS 51 Ca 0.08 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 54.52 2crq s LYS 51 Cb -0.17 -5.35 -0.04 0.00 -0.52 0.00 0.00 37.83 31.75 2crq s LYS 51 CO 0.11 -2.18 0.77 0.50 -0.92 0.00 0.00 175.35 173.62 2crq s ARG 52 N 4.69 4.47 0.00 1.68 6.06 -1.09 -4.18 118.95 130.58 2crq s ARG 52 Ca 0.46 1.03 0.03 0.00 -2.50 0.00 0.00 55.73 54.75 2crq s ARG 52 Cb 0.00 -3.43 -0.01 0.00 0.06 0.00 0.00 34.95 31.57 2crq s ARG 52 CO -0.07 0.10 -0.09 -0.98 -2.50 0.00 0.00 175.30 171.76 2crq s ARG 53 N 0.63 0.68 0.54 5.12 3.03 -1.26 -4.44 118.95 123.25 2crq s ARG 53 Ca 0.40 -0.37 0.26 0.00 2.03 0.00 0.00 55.73 58.06 2crq s ARG 53 Cb -0.19 -0.65 1.42 0.00 -1.03 0.00 0.00 34.95 34.50 2crq s ARG 53 CO 0.21 0.17 1.99 0.87 -1.13 0.00 0.00 175.30 177.42 2crq h LYS 54 N 5.75 0.00 -0.76 3.89 1.79 -1.97 0.09 116.57 125.36 2crq h LYS 54 Ca -0.31 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.30 2crq h LYS 54 Cb 1.18 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.78 2crq h LYS 54 CO 0.49 0.00 0.51 -0.44 -1.08 0.00 0.00 179.45 178.92 2crq h ASP 55 N 0.00 0.45 -4.35 0.86 3.32 -2.02 -3.42 116.42 111.26 2crq h ASP 55 Ca 0.25 0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.82 2crq h ASP 55 Cb 1.03 -0.07 0.08 0.00 0.22 0.00 0.00 39.33 40.60 2crq h ASP 55 CO -0.00 0.24 0.39 0.00 -1.72 0.00 0.00 179.24 178.14 2crq s ALA 56 N -5.47 2.80 -0.52 3.45 0.00 0.02 -4.99 121.76 117.04 2crq s ALA 56 Ca -0.08 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2crq s ALA 56 Cb 0.21 -3.12 0.43 0.00 0.00 0.00 0.00 23.12 20.64 2crq s ALA 56 CO 0.77 -1.09 1.56 -0.85 0.00 0.00 0.00 175.76 176.15 2crq n GLU 57 N -3.02 3.17 -3.75 0.00 0.28 -1.26 -4.89 120.64 111.17 2crq n GLU 57 Ca 0.07 -3.88 -0.34 0.00 -0.16 0.00 0.00 57.16 52.85 2crq n GLU 57 Cb 0.54 -2.28 -0.09 0.00 1.43 0.00 0.00 31.44 31.04 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 -3.73 2.72 0.35 3.44 1.11 -1.26 -5.08 119.66 117.21 2crq s GLN 58 Ca 0.55 -2.94 -0.14 0.00 0.01 0.00 0.00 55.36 52.83 2crq s GLN 58 Cb 0.44 -3.71 -0.11 0.00 -1.01 0.00 0.00 33.01 28.62 2crq s GLN 58 CO -0.09 -1.22 -0.05 -1.13 0.01 0.00 0.00 175.29 172.81 2crq n SER 59 N 2.78 -2.57 -0.47 5.90 3.41 -1.26 -4.40 113.62 117.01 2crq n SER 59 Ca 0.14 0.52 0.39 0.00 -0.26 0.00 0.00 58.87 59.66 2crq n SER 59 Cb 0.36 -0.64 0.67 0.00 -0.26 0.00 0.00 64.21 64.34 2crq n SER 59 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2crq h GLU 60 N 0.06 0.08 -0.76 4.33 5.08 -2.01 0.60 114.58 121.97 2crq h GLU 60 Ca -0.30 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.19 2crq h GLU 60 Cb 1.08 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 2crq h GLU 60 CO 0.32 0.05 0.32 0.93 -1.00 0.00 0.00 179.01 179.64 2crq h GLU 61 N 0.08 0.47 0.36 2.33 4.39 -2.01 -2.17 114.58 118.02 2crq h GLU 61 Ca 0.82 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 60.47 2crq h GLU 61 Cb 2.68 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.23 2crq h GLU 61 CO -0.34 0.31 -0.18 0.93 -1.16 0.00 0.00 179.01 178.57 2crq h GLU 62 N 0.48 -0.47 -0.95 2.33 4.39 0.00 -1.82 114.58 118.54 2crq h GLU 62 Ca 0.41 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.24 2crq h GLU 62 Cb 0.60 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 2crq h GLU 62 CO -0.38 -0.26 -0.53 2.41 -1.16 0.00 0.00 179.01 179.09 2crq n THR 63 N -5.26 -0.62 0.16 1.13 -1.04 -0.84 -0.66 114.28 107.15 2crq n THR 63 Ca -0.10 2.29 -0.14 0.00 -2.04 0.00 0.00 64.05 64.05 2crq n THR 63 Cb 0.24 -2.87 -0.08 0.00 -1.82 0.00 0.00 70.33 65.80 2crq n THR 63 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2crq h GLU 64 N 0.00 -0.31 -0.84 -2.82 4.81 -1.49 -2.89 114.58 111.04 2crq h GLU 64 Ca 0.19 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.63 2crq h GLU 64 Cb 0.42 0.07 -0.15 0.00 0.63 0.00 0.00 28.75 29.72 2crq h GLU 64 CO -0.90 -0.19 -0.08 0.93 -0.73 0.00 0.00 179.01 178.03 2crq h GLU 65 N -0.34 0.04 -0.18 1.92 5.08 -0.09 -2.13 114.58 118.88 2crq h GLU 65 Ca -0.03 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2crq h GLU 65 Cb 0.26 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2crq h GLU 65 CO 0.05 0.03 -0.11 -0.89 -1.00 0.00 0.00 179.01 177.09 2crq n ILE 66 N -5.46 -0.12 -0.33 3.13 2.08 0.17 0.33 119.36 119.15 2crq n ILE 66 Ca 0.15 1.34 0.05 0.00 0.56 0.00 0.00 62.75 64.86 2crq n ILE 66 Cb 0.51 -1.75 0.12 0.00 -0.75 0.00 0.00 39.64 37.77 2crq n ILE 66 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2crq n PHE 67 N -3.29 0.31 0.13 1.39 3.72 -0.80 0.15 117.46 119.07 2crq n PHE 67 Ca 0.00 1.11 -0.14 0.00 -0.05 0.00 0.00 57.45 58.37 2crq n PHE 67 Cb 0.05 -1.01 -0.08 0.00 -0.94 0.00 0.00 39.48 37.50 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 -0.24 -1.15 4.37 2.35 -0.18 -2.07 115.58 118.66 2crq h ASN 68 Ca 0.43 -0.05 0.33 0.00 -0.55 0.00 0.00 56.30 56.46 2crq h ASN 68 Cb 0.65 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 2crq h ASN 68 CO -0.93 -0.10 1.03 1.56 -1.65 0.00 0.00 177.43 177.34 2crq h GLN 69 N -0.36 0.00 0.00 0.81 4.20 0.23 1.59 115.11 121.57 2crq h GLN 69 Ca -0.03 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.44 2crq h GLN 69 Cb 0.28 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2crq h GLN 69 CO 0.05 0.00 -1.55 0.82 -0.67 0.00 0.00 178.83 177.48 2crq h ILE 70 N 0.00 0.78 0.00 2.54 2.04 -0.80 -3.32 117.51 118.75 2crq h ILE 70 Ca 0.55 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2crq h ILE 70 Cb 2.60 2.32 0.00 0.00 -0.74 0.00 0.00 36.82 41.00 2crq h ILE 70 CO -0.01 0.44 0.00 -0.11 0.00 0.00 0.00 178.15 178.48 2crq n LEU 71 N -3.02 0.52 0.11 1.44 7.94 0.52 -3.00 117.00 121.51 2crq n LEU 71 Ca -0.13 0.56 0.11 0.00 -1.11 0.00 0.00 56.01 55.44 2crq n LEU 71 Cb 0.97 -0.41 0.46 0.00 0.53 0.00 0.00 43.42 44.97 2crq n LEU 71 CO 0.44 -0.18 0.84 0.00 -1.11 0.00 0.00 177.39 177.39 2crq n GLN 72 N -2.00 0.17 0.01 1.96 6.02 -0.08 -1.43 117.38 122.03 2crq n GLN 72 Ca 0.05 0.36 0.11 0.00 -0.01 0.00 0.00 57.00 57.52 2crq n GLN 72 Cb 0.37 -1.80 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 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 -2.12 0.08 -2.62 5.09 -2.24 -1.16 -4.43 114.28 106.88 2crq n THR 73 Ca 0.03 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 2crq n THR 73 Cb 0.25 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.01 2.05 0.00 -0.78 -0.00 -0.96 -4.86 117.12 110.56 2crq n MET 74 Ca -0.00 -3.65 0.07 0.00 -0.00 0.00 0.00 57.70 54.12 2crq n MET 74 Cb 0.47 -1.68 0.31 0.00 -0.00 0.00 0.00 33.22 32.32 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 0.01 0.00 3.17 -0.04 -0.51 0.63 135.00 137.80 2crq n PRO 75 Ca 0.17 0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 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 -1.49 1.02 0.00 3.54 5.75 -1.26 -4.69 116.55 119.42 2crq n ASP 76 Ca 0.04 -1.10 0.00 0.00 -0.01 0.00 0.00 54.79 53.72 2crq n ASP 76 Cb 0.16 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.05 0.00 -4.15 2.12 3.06 -0.97 -4.90 119.36 114.46 2crq n ILE 77 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 2crq n ILE 77 Cb 0.05 0.21 -0.10 0.00 0.54 0.00 0.00 39.64 40.33 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 -1.63 0.96 -0.14 1.51 0.00 0.20 -3.59 121.76 119.08 2crq s ALA 78 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.63 2crq s ALA 78 Cb 0.00 0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.26 2crq s ALA 78 CO 0.00 -0.14 0.36 -0.08 0.00 0.00 0.00 175.76 175.90 2crq s THR 79 N -2.91 -0.00 -0.62 0.00 -1.32 0.59 -4.41 115.64 106.96 2crq s THR 79 Ca 0.06 0.02 -0.36 0.00 -1.21 0.00 0.00 61.69 60.20 2crq s THR 79 Cb 0.00 -0.52 -0.17 0.00 -1.51 0.00 0.00 72.50 70.31 2crq s THR 79 CO -0.02 0.01 2.35 0.49 -2.21 0.00 0.00 174.62 175.23 2crq n PHE 80 N 3.11 1.10 -0.04 9.09 3.72 -1.26 -2.94 117.46 130.24 2crq n PHE 80 Ca -0.15 0.48 -0.00 0.00 -0.05 0.00 0.00 57.45 57.73 2crq n PHE 80 Cb 0.57 -2.40 -0.00 0.00 -0.94 0.00 0.00 39.48 36.71 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 11.58 0.00 -3.78 4.37 0.87 -1.83 -3.44 113.55 121.31 2crq h SER 81 Ca -0.14 0.00 -0.68 0.00 -1.23 0.00 0.00 61.79 59.74 2crq h SER 81 Cb 1.35 0.00 -0.36 0.00 -0.44 0.00 0.00 62.40 62.95 2crq h SER 81 CO 1.17 0.36 -0.54 -0.55 -0.53 0.00 0.00 176.83 176.74 2crq s SER 82 N -4.79 5.06 0.08 6.23 0.15 -1.21 -4.99 113.70 114.23 2crq s SER 82 Ca -0.01 -2.37 -0.23 0.00 0.70 0.00 0.00 55.95 54.04 2crq s SER 82 Cb 0.00 -1.78 -0.13 0.00 -1.71 0.00 0.00 66.02 62.40 2crq s SER 82 CO 0.01 -0.44 0.54 -1.14 1.20 0.00 0.00 173.24 173.42 2crq n ARG 83 N 4.09 0.00 -2.13 5.44 3.00 -1.26 -3.79 116.66 122.02 2crq n ARG 83 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.45 2crq n ARG 83 Cb 0.40 -0.86 -0.03 0.00 0.00 0.00 0.00 32.46 31.97 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 -0.38 3.93 0.33 -0.14 0.04 -1.26 -4.83 135.00 132.69 2crq s PRO 84 Ca 0.53 1.78 0.09 0.00 0.04 0.00 0.00 61.00 63.44 2crq s PRO 84 Cb -0.76 -3.99 -0.06 0.00 0.04 0.00 0.00 34.50 29.73 2crq s PRO 84 CO 0.39 -1.13 -0.03 -1.59 0.04 0.00 0.00 177.00 174.69 2crq s LYS 85 N 4.40 2.00 0.09 4.56 0.00 -1.25 -4.94 119.74 124.60 2crq s LYS 85 Ca 0.70 -1.78 -0.31 0.00 0.00 0.00 0.00 55.97 54.58 2crq s LYS 85 Cb -0.26 -1.88 -0.07 0.00 0.00 0.00 0.00 37.83 35.62 2crq s LYS 85 CO 0.28 0.16 1.31 0.00 0.00 0.00 0.00 175.35 177.10 2crq s ALA 86 N -2.53 3.51 0.29 0.59 0.00 -1.26 -3.39 121.76 118.97 2crq s ALA 86 Ca 0.34 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.35 2crq s ALA 86 Cb -0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 2crq s ALA 86 CO 0.18 -0.54 0.01 0.96 0.00 0.00 0.00 175.76 176.37 2crq s ILE 87 N 1.09 1.28 -1.41 0.00 -4.36 0.64 -4.55 121.20 113.89 2crq s ILE 87 Ca 0.62 -2.04 -0.04 0.00 -0.26 0.00 0.00 60.65 58.93 2crq s ILE 87 Cb -0.34 -2.61 0.00 0.00 1.25 0.00 0.00 42.46 40.77 2crq s ILE 87 CO 0.30 -0.15 0.35 0.54 0.24 0.00 0.00 174.94 176.22 2crq n ARG 88 N -0.60 -2.24 -0.94 0.37 3.00 -1.26 0.95 116.66 115.93 2crq n ARG 88 Ca -0.04 0.30 0.00 0.00 -0.01 0.00 0.00 57.85 58.10 2crq n ARG 88 Cb 0.65 -4.08 0.00 0.00 0.00 0.00 0.00 32.46 29.03 2crq n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2crq n GLY 89 N -2.14 0.76 1.52 -0.13 0.00 -1.26 -3.20 105.19 100.74 2crq n GLY 89 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.45 0.76 0.14 -0.02 0.00 0.27 -4.91 105.19 98.98 2crq n GLY 90 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 2crq n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crq h THR 91 N 0.00 0.00 -3.47 2.61 1.03 -1.42 -3.43 112.91 108.22 2crq h THR 91 Ca 0.00 -0.36 -0.10 0.00 -0.01 0.00 0.00 66.41 65.94 2crq h THR 91 Cb 0.00 1.21 -0.16 0.00 -1.07 0.00 0.00 68.15 68.12 2crq h THR 91 CO 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 175.52 175.20 2crq s ALA 92 N -3.28 -0.51 0.02 0.00 0.00 -1.16 -2.68 121.76 114.15 2crq s ALA 92 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 51.90 2crq s ALA 92 Cb 0.10 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 2crq s ALA 92 CO 0.48 -0.41 -0.19 0.45 0.00 0.00 0.00 175.76 176.08 2crq s SER 93 N -2.21 3.69 -0.03 0.00 0.15 -1.11 -0.26 113.70 113.94 2crq s SER 93 Ca -0.03 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.23 2crq s SER 93 Cb -0.00 -0.59 0.01 0.00 -1.71 0.00 0.00 66.02 63.73 2crq s SER 93 CO -0.05 0.28 -0.07 -0.32 1.20 0.00 0.00 173.24 174.28 2crq s MET 94 N -1.18 0.87 0.10 5.44 0.00 -1.22 -1.05 119.30 122.26 2crq s MET 94 Ca 0.13 -0.22 -0.13 0.00 0.00 0.00 0.00 55.69 55.47 2crq s MET 94 Cb -0.10 -0.83 0.02 0.00 0.00 0.00 0.00 34.83 33.92 2crq s MET 94 CO 0.03 0.04 0.31 0.00 0.00 0.00 0.00 175.02 175.40 2crq s VAL 96 N -3.65 3.17 -0.20 0.00 1.01 -1.25 -1.12 120.40 118.37 2crq s VAL 96 Ca 0.03 -1.62 -0.02 0.00 0.00 0.00 0.00 61.98 60.36 2crq s VAL 96 Cb 0.03 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2crq s VAL 96 CO -0.10 -0.08 -0.11 -0.36 0.00 0.00 0.00 175.10 174.44 2crq s PHE 97 N -1.64 2.87 0.26 5.22 0.40 -0.89 -2.74 117.98 121.47 2crq s PHE 97 Ca 0.24 -1.19 0.09 0.00 -0.60 0.00 0.00 56.93 55.47 2crq s PHE 97 Cb -0.09 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 2crq s PHE 97 CO 0.15 -0.62 0.06 -0.98 0.70 0.00 0.00 175.22 174.52 2crq s ARG 98 N 1.31 2.49 0.11 0.44 1.70 -1.15 -3.84 118.95 120.00 2crq s ARG 98 Ca 0.04 -1.30 0.05 0.00 -0.47 0.00 0.00 55.73 54.04 2crq s ARG 98 Cb -0.14 -2.29 -0.04 0.00 -0.57 0.00 0.00 34.95 31.91 2crq s ARG 98 CO -0.06 0.38 0.02 -3.38 -1.08 0.00 0.00 175.30 171.18 2crq s HIS 99 N -2.27 3.01 -0.80 5.89 -3.43 -1.26 -0.30 115.29 116.13 2crq s HIS 99 Ca 0.32 -0.03 -0.25 0.00 -0.80 0.00 0.00 55.06 54.30 2crq s HIS 99 Cb -0.07 -1.52 -0.04 0.00 -1.43 0.00 0.00 32.58 29.52 2crq s HIS 99 CO 0.21 0.49 1.90 -0.51 -2.00 0.00 0.00 174.74 174.84 2crq s LEU 100 N -2.48 3.22 -0.10 5.38 1.43 -1.24 -4.80 118.68 120.09 2crq s LEU 100 Ca 0.27 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2crq s LEU 100 Cb -0.11 -2.55 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2crq s LEU 100 CO 0.19 -2.59 0.05 -1.28 0.23 0.00 0.00 176.35 172.95 2crq h SER 101 N 12.52 0.00 0.00 2.29 0.87 -1.94 -3.44 113.55 123.84 2crq h SER 101 Ca -0.03 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 2crq h SER 101 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2crq h SER 101 CO 1.22 0.55 -0.82 0.29 -0.53 0.00 0.00 176.83 177.53 2crq n LYS 102 N -4.76 0.00 -2.64 2.24 4.76 -1.26 -4.82 118.16 111.69 2crq n LYS 102 Ca -0.01 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.02 2crq n LYS 102 Cb 0.05 -0.48 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 2crq n LYS 102 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2crq s LYS 103 N -1.98 4.65 -1.43 1.97 -2.85 -1.26 -3.44 119.74 115.41 2crq s LYS 103 Ca 0.00 1.56 -0.05 0.00 -1.00 0.00 0.00 55.97 56.48 2crq s LYS 103 Cb 0.00 -3.34 0.01 0.00 -2.06 0.00 0.00 37.83 32.43 2crq s LYS 103 CO 0.00 0.14 0.67 0.39 0.10 0.00 0.00 175.35 176.65 2crq n GLU 104 N 2.71 -5.15 0.07 1.78 1.02 -1.26 -4.72 120.64 115.10 2crq n GLU 104 Ca 0.03 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 2crq n GLU 104 Cb 0.48 -5.61 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 -3.99 0.00 -3.40 3.49 2.13 -1.22 -4.85 120.64 112.80 2crq n GLU 105 Ca -0.09 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.54 2crq n GLU 105 Cb 0.60 -0.23 0.07 0.00 0.27 0.00 0.00 31.44 32.16 2crq n GLU 105 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2crq n LYS 106 N -3.28 -6.66 -3.45 5.31 5.02 -1.25 -4.97 118.16 108.88 2crq n LYS 106 Ca 0.00 0.73 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 2crq n LYS 106 Cb 0.07 -5.47 -0.09 0.00 -0.02 0.00 0.00 35.03 29.52 2crq n LYS 106 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2crq s SER 107 N -3.56 6.03 0.00 4.39 0.15 -1.26 -4.97 113.70 114.48 2crq s SER 107 Ca 0.36 -1.25 0.00 0.00 0.70 0.00 0.00 55.95 55.76 2crq s SER 107 Cb -0.16 -2.14 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2crq s SER 107 CO 0.64 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2crq n GLY 108 N 5.14 0.67 3.77 9.45 0.00 -1.26 -5.07 105.19 117.88 2crq n GLY 108 Ca -0.12 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.00 2.71 -0.17 1.61 0.04 -1.26 -5.00 135.00 130.92 2crq s PRO 109 Ca 0.00 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2crq s PRO 109 Cb 0.00 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 2crq s PRO 109 CO 0.00 -1.32 -0.18 0.43 0.04 0.00 0.00 177.00 175.97 2crq n SER 110 N -2.60 2.08 -4.45 6.66 7.64 -1.26 -4.96 113.62 116.73 2crq n SER 110 Ca 0.10 0.04 -0.55 0.00 1.01 0.00 0.00 58.87 59.48 2crq n SER 110 Cb 0.52 -0.38 -0.08 0.00 -1.01 0.00 0.00 64.21 63.26 2crq n SER 110 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crq n SER 111 N -3.34 1.82 0.00 6.43 7.64 -1.26 -5.29 113.62 119.62 2crq n SER 111 Ca -0.32 0.61 0.03 0.00 1.01 0.00 0.00 58.87 60.20 2crq n SER 111 Cb 0.79 -1.14 0.18 0.00 -1.01 0.00 0.00 64.21 63.02 2crq n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64