#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cgq s ALA 1 N 0.00 -1.55 -0.01 3.55 0.00 -1.05 -1.99 121.76 120.71 1cgq s ALA 1 Ca 0.00 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1cgq s ALA 1 Cb 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.04 1cgq s ALA 1 CO 0.00 -0.34 -0.09 -1.64 0.00 0.00 0.00 175.76 173.69 1cgq s MET 2 N -1.09 0.73 -0.06 0.00 -1.94 -0.11 -1.63 119.30 115.20 1cgq s MET 2 Ca -0.11 -0.32 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 1cgq s MET 2 Cb -0.01 -0.71 0.02 0.00 2.01 0.00 0.00 34.83 36.14 1cgq s MET 2 CO 0.08 0.19 -0.09 0.12 -0.01 0.00 0.00 175.02 175.31 1cgq s PHE 3 N -0.19 1.22 -0.03 -0.03 5.36 -0.28 -1.49 117.98 122.54 1cgq s PHE 3 Ca 0.03 -0.44 0.07 0.00 -0.96 0.00 0.00 56.93 55.63 1cgq s PHE 3 Cb -0.04 -0.95 -0.02 0.00 -0.34 0.00 0.00 43.02 41.68 1cgq s PHE 3 CO -0.00 -0.27 -0.25 0.42 -1.46 0.00 0.00 175.22 173.66 1cgq s ILE 4 N 0.83 2.00 -0.14 3.12 -1.09 -0.35 -0.93 121.20 124.65 1cgq s ILE 4 Ca -0.12 -1.07 0.01 0.00 -2.23 0.00 0.00 60.65 57.24 1cgq s ILE 4 Cb -0.15 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1cgq s ILE 4 CO 0.02 0.56 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.45 1cgq s VAL 5 N -0.47 1.58 -0.19 2.92 1.01 -0.36 -1.73 120.40 123.16 1cgq s VAL 5 Ca 0.06 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1cgq s VAL 5 Cb -0.11 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1cgq s VAL 5 CO 0.00 0.46 -0.06 0.20 0.00 0.00 0.00 175.10 175.70 1cgq s ASN 6 N 1.32 4.30 0.06 3.32 -0.87 -0.44 -0.40 114.94 122.21 1cgq s ASN 6 Ca 0.01 -0.35 -0.06 0.00 -1.57 0.00 0.00 52.86 50.89 1cgq s ASN 6 Cb -0.13 -1.72 -0.01 0.00 -0.02 0.00 0.00 41.25 39.37 1cgq s ASN 6 CO -0.08 0.04 0.11 0.28 -2.57 0.00 0.00 177.10 174.88 1cgq s THR 7 N 1.12 0.15 -2.15 1.60 -1.32 -0.60 -1.29 115.64 113.15 1cgq s THR 7 Ca 0.01 -1.24 0.26 0.00 -1.21 0.00 0.00 61.69 59.52 1cgq s THR 7 Cb -0.15 -1.15 0.34 0.00 -1.51 0.00 0.00 72.50 70.04 1cgq s THR 7 CO -0.01 -0.68 1.57 -0.46 -2.21 0.00 0.00 174.62 172.83 1cgq n ASN 8 N 0.38 1.43 -4.76 8.08 6.94 -1.24 -0.93 115.26 125.16 1cgq n ASN 8 Ca -0.17 -1.25 -0.41 0.00 -0.02 0.00 0.00 54.58 52.73 1cgq n ASN 8 Cb 0.60 0.10 -0.02 0.00 -2.36 0.00 0.00 39.78 38.10 1cgq n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1cgq s VAL 9 N -2.28 2.74 0.62 3.53 1.01 -1.26 -4.33 120.40 120.43 1cgq s VAL 9 Ca 0.29 0.68 -0.17 0.00 0.00 0.00 0.00 61.98 62.78 1cgq s VAL 9 Cb 0.20 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1cgq s VAL 9 CO 0.44 0.14 1.16 -2.16 0.00 0.00 0.00 175.10 174.68 1cgq s PRO 10 N -1.13 2.89 0.29 2.72 0.04 -1.26 -0.74 135.00 137.81 1cgq s PRO 10 Ca 0.53 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.24 1cgq s PRO 10 Cb -0.40 -1.94 0.65 0.00 0.04 0.00 0.00 34.50 32.85 1cgq s PRO 10 CO 0.48 -1.22 1.78 -0.09 0.04 0.00 0.00 177.00 177.98 1cgq h ARG 11 N 0.54 0.72 0.00 4.56 9.65 -1.93 -0.35 114.38 127.57 1cgq h ARG 11 Ca -0.49 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1cgq h ARG 11 Cb 1.27 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1cgq h ARG 11 CO 0.54 0.48 0.00 0.00 2.80 0.00 0.00 179.97 183.79 1cgq h ALA 12 N 1.61 1.00 -0.00 2.80 0.00 -2.03 -1.75 119.26 120.88 1cgq h ALA 12 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1cgq h ALA 12 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1cgq h ALA 12 CO -0.37 0.00 -0.28 0.43 0.00 0.00 0.00 179.25 179.04 1cgq n SER 13 N -2.86 0.76 -4.58 0.00 7.64 -0.14 -4.75 113.62 109.69 1cgq n SER 13 Ca -0.01 -0.63 -0.43 0.00 1.01 0.00 0.00 58.87 58.81 1cgq n SER 13 Cb 0.14 0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 1cgq n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1cgq s VAL 14 N -2.63 4.45 0.64 0.44 1.01 -0.66 -4.74 120.40 118.91 1cgq s VAL 14 Ca 0.22 0.93 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 1cgq s VAL 14 Cb 0.19 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.12 1cgq s VAL 14 CO 0.55 -0.80 1.18 -2.16 0.00 0.00 0.00 175.10 173.88 1cgq s PRO 15 N 3.81 2.74 0.38 2.72 0.04 -1.26 -4.96 135.00 138.46 1cgq s PRO 15 Ca 0.39 1.71 -0.28 0.00 0.04 0.00 0.00 61.00 62.86 1cgq s PRO 15 Cb -0.10 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1cgq s PRO 15 CO 0.25 -1.36 1.44 -0.51 0.04 0.00 0.00 177.00 176.87 1cgq s ASP 16 N -1.92 6.39 0.00 6.66 1.01 -1.26 -2.14 116.67 125.41 1cgq s ASP 16 Ca 0.74 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.96 1cgq s ASP 16 Cb -0.28 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 40.99 1cgq s ASP 16 CO 0.37 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.53 1cgq n GLY 17 N 0.54 1.11 0.11 0.21 0.00 -1.26 -4.95 105.19 100.94 1cgq n GLY 17 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1cgq n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1cgq h PHE 18 N 0.00 -0.02 -0.47 1.61 3.57 -1.80 0.29 116.94 120.12 1cgq h PHE 18 Ca 0.00 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1cgq h PHE 18 Cb 0.00 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 1cgq h PHE 18 CO 0.00 -0.03 0.13 -0.07 -2.23 0.00 0.00 178.31 176.11 1cgq h LEU 19 N 0.06 0.64 -0.40 0.59 4.07 -1.92 -1.32 115.31 117.03 1cgq h LEU 19 Ca 0.10 -0.10 -0.12 0.00 0.08 0.00 0.00 57.88 57.84 1cgq h LEU 19 Cb 0.12 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1cgq h LEU 19 CO -0.17 0.63 -0.23 0.28 -1.08 0.00 0.00 178.44 177.87 1cgq h SER 20 N 0.68 0.89 -0.55 -0.43 0.02 -1.83 -1.71 113.55 110.62 1cgq h SER 20 Ca 0.16 -0.42 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1cgq h SER 20 Cb 0.23 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1cgq h SER 20 CO -0.01 1.12 0.25 -0.08 -1.14 0.00 0.00 176.83 176.97 1cgq h GLU 21 N 0.67 0.80 -0.54 3.45 4.81 -0.59 -1.12 114.58 122.06 1cgq h GLU 21 Ca 0.08 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1cgq h GLU 21 Cb 0.80 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1cgq h GLU 21 CO 0.07 0.66 0.34 -0.07 -0.73 0.00 0.00 179.01 179.27 1cgq h LEU 22 N 0.74 0.64 -0.41 1.64 3.38 -1.17 -0.54 115.31 119.60 1cgq h LEU 22 Ca 0.19 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1cgq h LEU 22 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1cgq h LEU 22 CO -0.02 0.50 0.24 0.74 0.09 0.00 0.00 178.44 179.99 1cgq h THR 23 N 0.73 1.05 -0.18 0.22 2.02 -0.97 -0.82 112.91 114.97 1cgq h THR 23 Ca 0.20 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 1cgq h THR 23 Cb -0.03 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1cgq h THR 23 CO -0.04 0.09 -0.10 1.56 0.37 0.00 0.00 175.52 177.40 1cgq h GLN 24 N 0.49 0.38 -0.52 6.66 4.20 -0.96 -0.95 115.11 124.41 1cgq h GLN 24 Ca 0.16 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 1cgq h GLN 24 Cb -0.00 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1cgq h GLN 24 CO -0.07 0.70 0.11 1.96 -0.67 0.00 0.00 178.83 180.86 1cgq h GLN 25 N 0.06 0.81 -0.02 1.46 1.08 -1.03 -1.54 115.11 115.92 1cgq h GLN 25 Ca 0.04 -0.17 -0.19 0.00 -1.45 0.00 0.00 58.65 56.87 1cgq h GLN 25 Cb 0.59 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1cgq h GLN 25 CO 0.03 0.74 -0.83 -0.07 -0.95 0.00 0.00 178.83 177.76 1cgq h LEU 26 N 0.78 0.36 -0.42 1.46 3.38 -1.10 0.15 115.31 119.91 1cgq h LEU 26 Ca 0.17 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1cgq h LEU 26 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1cgq h LEU 26 CO 0.00 1.04 0.06 0.00 0.09 0.00 0.00 178.44 179.62 1cgq h ALA 27 N 0.95 0.56 -0.02 1.53 0.00 -0.96 -0.86 119.26 120.45 1cgq h ALA 27 Ca -0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1cgq h ALA 27 Cb 1.43 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cgq h ALA 27 CO 0.13 0.28 0.01 0.37 0.00 0.00 0.00 179.25 180.04 1cgq h GLN 28 N 0.55 0.03 -0.75 0.00 4.15 -1.23 0.16 115.11 118.03 1cgq h GLN 28 Ca 0.13 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1cgq h GLN 28 Cb 0.39 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.04 1cgq h GLN 28 CO 0.01 0.24 0.31 0.00 -1.93 0.00 0.00 178.83 177.46 1cgq h ALA 29 N 0.79 0.97 0.00 3.38 0.00 -0.90 -2.99 119.26 120.51 1cgq h ALA 29 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1cgq h ALA 29 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cgq h ALA 29 CO -0.00 0.58 -0.58 1.79 0.00 0.00 0.00 179.25 181.03 1cgq h THR 30 N 1.07 0.00 -3.40 0.00 1.35 -1.14 -3.48 112.91 107.30 1cgq h THR 30 Ca 0.25 -0.73 -0.19 0.00 -0.55 0.00 0.00 66.41 65.19 1cgq h THR 30 Cb 0.19 1.39 0.07 0.00 -1.73 0.00 0.00 68.15 68.07 1cgq h THR 30 CO -0.02 0.00 -0.34 0.61 -0.25 0.00 0.00 175.52 175.52 1cgq n GLY 31 N 1.25 0.21 3.31 5.82 0.00 0.47 -4.96 105.19 111.29 1cgq n GLY 31 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 1cgq n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cgq s LYS 32 N -5.55 1.70 0.55 1.61 1.02 -0.67 -5.04 119.74 113.36 1cgq s LYS 32 Ca 0.26 -1.04 -0.22 0.00 0.02 0.00 0.00 55.97 54.99 1cgq s LYS 32 Cb -0.11 -1.84 -0.05 0.00 -0.52 0.00 0.00 37.83 35.31 1cgq s LYS 32 CO 0.36 0.48 1.36 -2.14 -0.92 0.00 0.00 175.35 174.48 1cgq s PRO 33 N -1.16 3.12 0.59 -1.68 0.01 -1.26 -4.51 135.00 130.10 1cgq s PRO 33 Ca 0.10 2.24 0.32 0.00 0.01 0.00 0.00 61.00 63.67 1cgq s PRO 33 Cb -0.10 -2.24 1.86 0.00 0.01 0.00 0.00 34.50 34.03 1cgq s PRO 33 CO 0.02 -1.21 2.23 -1.00 0.01 0.00 0.00 177.00 177.05 1cgq h PRO 34 N 1.43 0.00 -0.52 5.54 0.13 -1.91 -2.11 132.00 134.55 1cgq h PRO 34 Ca -0.51 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.75 1cgq h PRO 34 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1cgq h PRO 34 CO 0.57 0.03 0.37 1.96 -0.23 0.00 0.00 178.00 180.69 1cgq h GLN 35 N 0.00 0.12 -0.02 0.86 7.50 -1.98 -1.63 115.11 119.97 1cgq h GLN 35 Ca -0.00 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.14 1cgq h GLN 35 Cb 0.09 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.59 1cgq h GLN 35 CO 0.00 0.08 -0.10 0.66 -1.50 0.00 0.00 178.83 177.98 1cgq n TYR 36 N -4.42 0.00 -3.48 2.96 4.01 -0.79 -4.90 117.16 110.54 1cgq n TYR 36 Ca 0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.46 1cgq n TYR 36 Cb 0.51 -0.03 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 1cgq n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1cgq s ILE 37 N -2.16 5.27 -0.06 -0.72 -1.09 -0.61 -2.53 121.20 119.30 1cgq s ILE 37 Ca 0.32 0.59 0.05 0.00 -2.23 0.00 0.00 60.65 59.38 1cgq s ILE 37 Cb 0.20 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1cgq s ILE 37 CO 0.39 0.33 -0.20 0.00 -1.23 0.00 0.00 174.94 174.23 1cgq s ALA 38 N 0.86 2.41 0.02 9.38 0.00 -0.65 -5.02 121.76 128.77 1cgq s ALA 38 Ca 0.17 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1cgq s ALA 38 Cb -0.14 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 1cgq s ALA 38 CO 0.06 0.47 -0.15 0.08 0.00 0.00 0.00 175.76 176.22 1cgq s VAL 39 N -0.41 1.17 -0.05 0.00 1.01 -1.26 -1.13 120.40 119.73 1cgq s VAL 39 Ca 0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1cgq s VAL 39 Cb -0.12 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.28 1cgq s VAL 39 CO 0.02 0.16 0.08 -2.28 0.00 0.00 0.00 175.10 173.07 1cgq s HIS 40 N -0.62 0.00 -0.12 5.22 5.04 -0.10 -4.96 115.29 119.75 1cgq s HIS 40 Ca 0.04 0.31 0.02 0.00 -1.54 0.00 0.00 55.06 53.89 1cgq s HIS 40 Cb -0.07 -0.38 -0.00 0.00 0.04 0.00 0.00 32.58 32.16 1cgq s HIS 40 CO 0.01 -0.19 -0.19 0.08 -2.34 0.00 0.00 174.74 172.10 1cgq s VAL 41 N 1.97 2.44 -0.57 0.89 1.01 -1.26 -1.22 120.40 123.66 1cgq s VAL 41 Ca 0.02 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1cgq s VAL 41 Cb -0.12 -1.98 0.15 0.00 0.00 0.00 0.00 36.38 34.43 1cgq s VAL 41 CO -0.04 0.54 0.36 -0.69 0.00 0.00 0.00 175.10 175.28 1cgq s VAL 42 N 0.45 2.15 0.76 2.92 1.01 0.46 -4.97 120.40 123.18 1cgq s VAL 42 Ca -0.14 -3.46 -0.13 0.00 0.00 0.00 0.00 61.98 58.25 1cgq s VAL 42 Cb -0.17 -2.45 0.18 0.00 0.00 0.00 0.00 36.38 33.94 1cgq s VAL 42 CO 0.06 -0.97 0.84 -0.81 0.00 0.00 0.00 175.10 174.22 1cgq n PRO 43 N 2.69 -1.65 -2.49 2.72 -0.04 -1.26 -1.55 135.00 133.42 1cgq n PRO 43 Ca 0.15 -1.32 -0.16 0.00 -0.04 0.00 0.00 63.50 62.13 1cgq n PRO 43 Cb 0.36 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1cgq n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1cgq n ASP 44 N -3.92 -4.75 -4.85 3.54 8.00 0.08 -4.80 116.55 109.85 1cgq n ASP 44 Ca 0.11 0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.36 1cgq n ASP 44 Cb 0.40 -3.98 -0.06 0.00 -0.02 0.00 0.00 41.12 37.46 1cgq n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1cgq s GLN 45 N -5.10 4.02 -0.66 -1.24 -1.52 -0.10 -4.94 119.66 110.11 1cgq s GLN 45 Ca 0.03 0.74 -0.23 0.00 -1.95 0.00 0.00 55.36 53.94 1cgq s GLN 45 Cb -0.01 -2.37 0.06 0.00 -0.22 0.00 0.00 33.01 30.47 1cgq s GLN 45 CO 0.04 0.09 1.00 -1.17 -0.25 0.00 0.00 175.29 174.99 1cgq s LEU 46 N -3.15 4.21 0.09 2.90 2.96 -1.26 -4.12 118.68 120.30 1cgq s LEU 46 Ca 0.55 -0.87 -0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1cgq s LEU 46 Cb -0.10 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 1cgq s LEU 46 CO 0.19 -1.47 -0.01 -0.04 -1.32 0.00 0.00 176.35 173.69 1cgq s MET 47 N 4.26 0.76 -0.06 1.98 -1.94 -1.26 -5.07 119.30 117.98 1cgq s MET 47 Ca 0.24 -1.32 -0.06 0.00 -1.71 0.00 0.00 55.69 52.84 1cgq s MET 47 Cb -0.15 0.10 0.02 0.00 2.01 0.00 0.00 34.83 36.80 1cgq s MET 47 CO 0.11 -0.13 0.17 0.00 -0.01 0.00 0.00 175.02 175.17 1cgq s ALA 48 N -3.87 -0.43 -0.13 3.03 0.00 -1.26 -4.59 121.76 114.51 1cgq s ALA 48 Ca 0.13 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1cgq s ALA 48 Cb 0.07 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.97 1cgq s ALA 48 CO -0.05 -0.09 -0.03 0.12 0.00 0.00 0.00 175.76 175.71 1cgq s PHE 49 N -0.01 1.23 -1.43 0.00 2.19 -0.01 -4.71 117.98 115.25 1cgq s PHE 49 Ca -0.01 -0.69 0.00 0.00 0.33 0.00 0.00 56.93 56.56 1cgq s PHE 49 Cb -0.02 -1.10 0.00 0.00 -1.31 0.00 0.00 43.02 40.60 1cgq s PHE 49 CO 0.00 -0.51 0.00 0.41 1.83 0.00 0.00 175.22 176.96 1cgq n GLY 50 N 5.00 0.69 2.45 13.12 0.00 -1.26 -1.79 105.19 123.41 1cgq n GLY 50 Ca -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1cgq n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cgq n GLY 51 N -1.09 1.23 3.75 -0.02 0.00 -1.26 -5.04 105.19 102.76 1cgq n GLY 51 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 1cgq n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cgq s SER 52 N -3.13 5.43 -0.24 1.61 0.15 -0.74 -5.03 113.70 111.75 1cgq s SER 52 Ca 0.00 0.02 0.14 0.00 0.70 0.00 0.00 55.95 56.81 1cgq s SER 52 Cb 0.00 -1.46 0.70 0.00 -1.71 0.00 0.00 66.02 63.54 1cgq s SER 52 CO 0.00 0.23 1.64 -1.54 1.20 0.00 0.00 173.24 174.77 1cgq n SER 53 N 0.90 4.80 -4.69 5.45 3.41 -1.26 -0.83 113.62 121.40 1cgq n SER 53 Ca -0.11 -3.07 -0.29 0.00 -0.26 0.00 0.00 58.87 55.14 1cgq n SER 53 Cb 0.52 -0.65 0.16 0.00 -0.26 0.00 0.00 64.21 63.98 1cgq n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1cgq s GLU 54 N -2.87 0.75 0.13 4.33 2.02 -1.26 -4.89 118.70 116.92 1cgq s GLU 54 Ca 0.50 0.65 -0.35 0.00 0.02 0.00 0.00 54.97 55.80 1cgq s GLU 54 Cb 0.40 -1.76 -0.16 0.00 0.10 0.00 0.00 34.13 32.70 1cgq s GLU 54 CO 0.12 -2.54 1.28 -2.30 0.02 0.00 0.00 175.26 171.84 1cgq n PRO 55 N -4.07 1.25 -3.95 0.39 -0.02 -1.26 -4.86 135.00 122.48 1cgq n PRO 55 Ca 0.06 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1cgq n PRO 55 Cb 0.56 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 1cgq n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1cgq s ALA 57 N -3.58 -1.16 -0.18 0.00 0.00 -0.71 -3.68 121.76 112.45 1cgq s ALA 57 Ca 0.20 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.37 1cgq s ALA 57 Cb -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1cgq s ALA 57 CO 0.11 -0.24 -0.14 -0.51 0.00 0.00 0.00 175.76 174.97 1cgq s LEU 58 N -0.06 2.13 0.31 0.00 1.43 -0.41 -1.90 118.68 120.18 1cgq s LEU 58 Ca -0.03 -0.73 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 1cgq s LEU 58 Cb -0.03 -1.31 -0.06 0.00 0.03 0.00 0.00 46.19 44.81 1cgq s LEU 58 CO 0.02 -0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.47 1cgq s SER 60 N -3.50 -0.14 -0.22 0.00 0.01 -0.70 -0.80 113.70 108.35 1cgq s SER 60 Ca 0.31 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1cgq s SER 60 Cb 0.05 0.28 0.06 0.00 0.21 0.00 0.00 66.02 66.61 1cgq s SER 60 CO 0.14 -0.05 -0.05 -0.22 0.41 0.00 0.00 173.24 173.46 1cgq s LEU 61 N 0.14 2.30 -0.21 2.44 2.96 -0.41 -1.21 118.68 124.70 1cgq s LEU 61 Ca -0.01 -1.05 -0.08 0.00 -0.22 0.00 0.00 54.13 52.78 1cgq s LEU 61 Cb -0.02 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.53 1cgq s LEU 61 CO -0.00 -0.22 0.09 -1.00 -1.32 0.00 0.00 176.35 173.89 1cgq s HIS 62 N 1.46 3.23 -0.05 5.38 3.76 -0.56 -0.98 115.29 127.54 1cgq s HIS 62 Ca -0.04 0.02 -0.04 0.00 -0.15 0.00 0.00 55.06 54.84 1cgq s HIS 62 Cb -0.18 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.37 1cgq s HIS 62 CO -0.07 0.04 0.14 0.45 -0.85 0.00 0.00 174.74 174.44 1cgq s SER 63 N 0.77 -0.14 -0.76 1.40 0.15 0.07 -0.93 113.70 114.26 1cgq s SER 63 Ca 0.05 0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.71 1cgq s SER 63 Cb -0.13 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.48 1cgq s SER 63 CO 0.02 -0.06 1.28 -0.63 1.20 0.00 0.00 173.24 175.05 1cgq s ILE 64 N 0.21 3.79 0.01 6.45 1.01 -0.84 -0.50 121.20 131.32 1cgq s ILE 64 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1cgq s ILE 64 Cb -0.02 -4.92 0.00 0.00 0.01 0.00 0.00 42.46 37.53 1cgq s ILE 64 CO -0.01 -1.84 0.00 0.61 0.00 0.00 0.00 174.94 173.70 1cgq n GLY 65 N 5.53 -2.16 2.40 6.18 0.00 -1.26 -4.68 105.19 111.20 1cgq n GLY 65 Ca 0.06 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 1cgq n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cgq n LYS 66 N -0.70 -1.22 -4.99 1.61 4.01 -1.26 -4.91 118.16 110.70 1cgq n LYS 66 Ca 0.00 0.95 -0.32 0.00 -0.51 0.00 0.00 58.31 58.42 1cgq n LYS 66 Cb 0.02 -5.24 -0.16 0.00 -0.51 0.00 0.00 35.03 29.14 1cgq n LYS 66 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1cgq s ILE 67 N -2.70 2.37 -0.04 -0.18 -1.09 -1.26 -4.82 121.20 113.48 1cgq s ILE 67 Ca 0.00 -0.90 -0.31 0.00 -2.23 0.00 0.00 60.65 57.21 1cgq s ILE 67 Cb 0.00 -1.94 0.13 0.00 -1.58 0.00 0.00 42.46 39.06 1cgq s ILE 67 CO 0.00 0.55 1.33 -0.83 -1.23 0.00 0.00 174.94 174.75 1cgq s GLY 68 N 0.43 -0.44 0.16 6.18 0.00 -1.26 -4.99 107.32 107.40 1cgq s GLY 68 Ca -0.15 0.77 -0.25 0.00 0.00 0.00 0.00 44.72 45.09 1cgq s GLY 68 CO 0.06 0.14 1.58 -1.33 0.00 0.00 0.00 173.10 173.56 1cgq h GLY 69 N 2.00 -0.42 1.09 0.20 0.00 -1.99 0.15 103.07 104.11 1cgq h GLY 69 Ca -0.31 0.49 -0.19 0.00 0.00 0.00 0.00 47.33 47.31 1cgq h GLY 69 CO 0.29 -0.19 -0.65 0.00 0.00 0.00 0.00 176.54 175.99 1cgq h ALA 70 N 0.58 0.31 -0.62 3.60 0.00 -2.00 -2.95 119.26 118.18 1cgq h ALA 70 Ca 0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1cgq h ALA 70 Cb 0.57 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1cgq h ALA 70 CO -0.57 0.60 0.22 1.96 0.00 0.00 0.00 179.25 181.46 1cgq h GLN 71 N 0.46 0.95 -0.31 0.00 4.20 -1.87 -2.28 115.11 116.27 1cgq h GLN 71 Ca -0.03 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 1cgq h GLN 71 Cb 1.27 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1cgq h GLN 71 CO 0.14 0.83 -0.07 -0.91 -0.67 0.00 0.00 178.83 178.15 1cgq h ASN 72 N 0.88 0.48 -0.42 1.46 2.35 -0.76 0.64 115.58 120.22 1cgq h ASN 72 Ca 0.20 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1cgq h ASN 72 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1cgq h ASN 72 CO -0.01 0.60 0.01 0.03 -1.65 0.00 0.00 177.43 176.41 1cgq h ARG 73 N 0.48 0.73 -0.30 0.81 3.08 -1.28 -1.05 114.38 116.84 1cgq h ARG 73 Ca 0.10 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 1cgq h ARG 73 Cb 0.42 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1cgq h ARG 73 CO 0.02 0.81 -0.41 0.66 -1.07 0.00 0.00 179.97 179.97 1cgq h SER 74 N 0.57 0.79 -0.92 7.04 4.64 -1.03 -2.13 113.55 122.51 1cgq h SER 74 Ca 0.12 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1cgq h SER 74 Cb 0.47 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 1cgq h SER 74 CO 0.02 1.10 0.61 1.88 -0.87 0.00 0.00 176.83 179.57 1cgq h TYR 75 N 0.60 1.15 -0.54 4.77 0.05 -0.77 -0.60 116.97 121.63 1cgq h TYR 75 Ca 0.05 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 1cgq h TYR 75 Cb 0.96 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1cgq h TYR 75 CO 0.05 0.71 -0.06 0.77 -1.05 0.00 0.00 178.16 178.58 1cgq h SER 76 N 1.23 0.99 -0.29 3.88 0.02 -1.01 0.15 113.55 118.53 1cgq h SER 76 Ca 0.34 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1cgq h SER 76 Cb -0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 1cgq h SER 76 CO -0.08 1.09 0.12 0.50 -1.14 0.00 0.00 176.83 177.31 1cgq h LYS 77 N 0.87 0.42 0.13 3.45 3.64 -0.98 0.11 116.57 124.22 1cgq h LYS 77 Ca 0.15 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1cgq h LYS 77 Cb 0.62 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1cgq h LYS 77 CO 0.04 0.44 -0.06 1.25 -2.27 0.00 0.00 179.45 178.84 1cgq h LEU 78 N 0.32 -0.15 -0.56 5.20 5.85 -0.98 -1.57 115.31 123.42 1cgq h LEU 78 Ca 0.10 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1cgq h LEU 78 Cb 0.17 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1cgq h LEU 78 CO -0.01 0.08 0.18 -0.07 -0.34 0.00 0.00 178.44 178.27 1cgq h LEU 79 N -0.38 0.82 -0.83 2.25 4.07 -0.70 -2.11 115.31 118.43 1cgq h LEU 79 Ca -0.02 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 57.64 1cgq h LEU 79 Cb 0.31 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.82 1cgq h LEU 79 CO 0.03 0.81 -0.18 0.00 -1.08 0.00 0.00 178.44 178.01 1cgq h GLY 81 N 0.98 0.87 0.91 0.00 0.00 -1.03 -0.57 103.07 104.23 1cgq h GLY 81 Ca 0.09 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1cgq h GLY 81 CO 0.05 0.38 0.08 1.41 0.00 0.00 0.00 176.54 178.46 1cgq h LEU 82 N 0.79 0.50 -1.06 3.11 4.07 -1.16 -1.18 115.31 120.37 1cgq h LEU 82 Ca 0.21 -0.23 -0.08 0.00 0.08 0.00 0.00 57.88 57.85 1cgq h LEU 82 Cb 0.04 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1cgq h LEU 82 CO -0.03 0.59 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.61 1cgq h LEU 83 N 0.37 0.37 -0.01 1.67 3.38 -1.13 0.11 115.31 120.07 1cgq h LEU 83 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1cgq h LEU 83 Cb 0.29 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1cgq h LEU 83 CO 0.00 0.62 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 1cgq h ALA 84 N 1.41 0.02 -0.13 1.53 0.00 -0.94 -0.80 119.26 120.36 1cgq h ALA 84 Ca 0.05 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1cgq h ALA 84 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1cgq h ALA 84 CO 0.04 -0.19 -0.12 1.49 0.00 0.00 0.00 179.25 180.47 1cgq h GLU 85 N -0.48 0.30 0.18 0.00 4.81 -1.17 -1.96 114.58 116.28 1cgq h GLU 85 Ca 0.00 -0.16 -0.28 0.00 -0.13 0.00 0.00 59.36 58.80 1cgq h GLU 85 Cb 0.56 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.96 1cgq h GLU 85 CO 0.00 0.69 -1.26 0.00 -0.73 0.00 0.00 179.01 177.71 1cgq h ARG 86 N -0.08 0.39 -0.01 1.92 -0.00 -0.89 -3.39 114.38 112.32 1cgq h ARG 86 Ca 0.02 -0.67 0.00 0.00 -0.50 0.00 0.00 59.98 58.83 1cgq h ARG 86 Cb 0.63 0.25 0.00 0.00 0.00 0.00 0.00 29.97 30.85 1cgq h ARG 86 CO 0.03 1.32 -0.05 1.28 0.00 0.00 0.00 179.97 182.55 1cgq n LEU 87 N -3.89 1.95 -2.81 3.04 4.77 -0.38 -4.61 117.00 115.08 1cgq n LEU 87 Ca -0.18 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.64 1cgq n LEU 87 Cb 0.97 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 1cgq n LEU 87 CO 0.52 0.36 0.08 0.54 -1.33 0.00 0.00 177.39 177.56 1cgq n ARG 88 N 0.56 -5.16 -3.86 3.23 5.12 -0.73 -4.96 116.66 110.85 1cgq n ARG 88 Ca 0.07 0.76 -0.35 0.00 -1.93 0.00 0.00 57.85 56.39 1cgq n ARG 88 Cb 0.31 -5.38 -0.10 0.00 -1.16 0.00 0.00 32.46 26.12 1cgq n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1cgq s ILE 89 N -3.16 4.85 0.19 0.55 1.01 -0.87 -4.90 121.20 118.88 1cgq s ILE 89 Ca 0.35 -0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 1cgq s ILE 89 Cb -0.15 -3.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.99 1cgq s ILE 89 CO 0.43 0.40 1.52 -0.55 0.00 0.00 0.00 174.94 176.74 1cgq s SER 90 N 0.83 6.61 0.53 3.58 0.15 -1.26 -3.18 113.70 120.96 1cgq s SER 90 Ca 0.05 2.63 0.28 0.00 0.70 0.00 0.00 55.95 59.61 1cgq s SER 90 Cb -0.13 -2.60 1.42 0.00 -1.71 0.00 0.00 66.02 62.99 1cgq s SER 90 CO 0.02 -0.78 1.94 -0.65 1.20 0.00 0.00 173.24 174.97 1cgq h PRO 91 N 6.15 0.03 -0.02 5.44 0.11 -1.97 0.81 132.00 142.54 1cgq h PRO 91 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1cgq h PRO 91 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1cgq h PRO 91 CO 0.86 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 1cgq n ASP 92 N -4.33 0.29 -0.95 -2.05 5.75 -1.26 -3.09 116.55 110.90 1cgq n ASP 92 Ca 0.14 -1.37 -0.01 0.00 -0.01 0.00 0.00 54.79 53.54 1cgq n ASP 92 Cb 0.78 -0.01 0.19 0.00 -1.03 0.00 0.00 41.12 41.04 1cgq n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1cgq n ARG 93 N -0.64 1.88 -4.40 0.11 1.74 0.28 -5.00 116.66 110.63 1cgq n ARG 93 Ca 0.17 -3.36 -0.21 0.00 -0.77 0.00 0.00 57.85 53.67 1cgq n ARG 93 Cb 0.12 -1.76 -0.16 0.00 -1.02 0.00 0.00 32.46 29.64 1cgq n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cgq s VAL 94 N -3.40 0.83 -0.04 1.55 1.01 -1.18 -1.73 120.40 117.43 1cgq s VAL 94 Ca 0.42 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1cgq s VAL 94 Cb 0.39 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1cgq s VAL 94 CO -0.04 0.27 -0.24 -0.31 0.00 0.00 0.00 175.10 174.78 1cgq s TYR 95 N 0.43 2.31 -0.16 5.22 2.02 -0.80 -5.00 117.35 121.37 1cgq s TYR 95 Ca -0.07 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.01 1cgq s TYR 95 Cb -0.11 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1cgq s TYR 95 CO 0.01 -0.15 -0.02 0.42 -1.57 0.00 0.00 175.55 174.24 1cgq s ILE 96 N -0.29 0.83 -0.18 2.71 1.01 -1.26 -0.42 121.20 123.61 1cgq s ILE 96 Ca 0.01 -0.48 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1cgq s ILE 96 Cb -0.12 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1cgq s ILE 96 CO 0.02 0.06 0.44 0.20 0.00 0.00 0.00 174.94 175.66 1cgq s ASN 97 N 1.75 6.53 -0.17 3.58 0.02 0.02 -4.95 114.94 121.72 1cgq s ASN 97 Ca 0.01 0.63 -0.08 0.00 -1.02 0.00 0.00 52.86 52.39 1cgq s ASN 97 Cb -0.15 -2.25 -0.04 0.00 0.02 0.00 0.00 41.25 38.82 1cgq s ASN 97 CO -0.07 -0.06 0.12 -0.31 0.02 0.00 0.00 177.10 176.79 1cgq s TYR 98 N 1.12 3.44 -0.10 2.20 2.02 -1.26 -1.29 117.35 123.48 1cgq s TYR 98 Ca 0.22 0.36 -0.00 0.00 -0.37 0.00 0.00 57.07 57.27 1cgq s TYR 98 Cb -0.15 -2.06 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 1cgq s TYR 98 CO 0.08 0.43 -0.07 0.71 -1.57 0.00 0.00 175.55 175.13 1cgq s TYR 99 N -0.14 1.36 -0.54 2.71 2.02 -0.15 -4.98 117.35 117.64 1cgq s TYR 99 Ca 0.10 -0.63 -0.20 0.00 -0.37 0.00 0.00 57.07 55.96 1cgq s TYR 99 Cb -0.11 -1.15 0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1cgq s TYR 99 CO 0.00 -0.46 0.72 0.34 -1.57 0.00 0.00 175.55 174.59 1cgq s ASP 100 N 1.59 6.24 0.10 2.29 -1.08 -1.26 -0.75 116.67 123.81 1cgq s ASP 100 Ca 0.02 -0.86 -0.23 0.00 -0.52 0.00 0.00 52.55 50.96 1cgq s ASP 100 Cb -0.13 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.93 1cgq s ASP 100 CO -0.06 -1.02 0.70 -0.04 0.52 0.00 0.00 175.17 175.27 1cgq s MET 101 N 3.01 4.44 0.28 4.34 -1.94 0.35 -4.90 119.30 124.87 1cgq s MET 101 Ca 0.18 0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 54.87 1cgq s MET 101 Cb -0.18 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.28 1cgq s MET 101 CO 0.13 0.52 1.02 1.21 -0.01 0.00 0.00 175.02 177.88 1cgq s ASN 102 N -0.84 7.38 0.45 3.03 3.84 -1.26 -4.07 114.94 123.47 1cgq s ASN 102 Ca 0.34 2.08 0.16 0.00 0.21 0.00 0.00 52.86 55.65 1cgq s ASN 102 Cb -0.21 -2.61 1.10 0.00 -0.55 0.00 0.00 41.25 38.98 1cgq s ASN 102 CO 0.23 -0.05 1.99 0.00 -2.79 0.00 0.00 177.10 176.48 1cgq h ALA 103 N 3.76 2.09 0.00 1.71 0.00 -1.94 0.20 119.26 125.08 1cgq h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1cgq h ALA 103 Cb 1.21 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1cgq h ALA 103 CO 0.67 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1cgq n ALA 104 N -2.54 1.78 -1.02 0.00 0.00 -1.26 -2.22 120.51 115.25 1cgq n ALA 104 Ca 0.09 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1cgq n ALA 104 Cb 0.39 -1.30 0.27 0.00 0.00 0.00 0.00 19.45 18.81 1cgq n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cgq n ASN 105 N -1.66 3.99 -3.80 0.00 3.02 0.06 -4.85 115.26 112.01 1cgq n ASN 105 Ca 0.04 -3.07 -0.29 0.00 -0.03 0.00 0.00 54.58 51.23 1cgq n ASN 105 Cb 0.21 -0.57 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 1cgq n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1cgq s VAL 106 N -2.86 0.92 0.26 2.41 1.01 -1.13 -4.89 120.40 116.12 1cgq s VAL 106 Ca 0.44 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 1cgq s VAL 106 Cb 0.36 -1.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 1cgq s VAL 106 CO 0.09 -0.26 0.74 -0.83 0.00 0.00 0.00 175.10 174.84 1cgq s GLY 107 N 1.66 2.54 -0.26 4.51 0.00 -1.26 -1.89 107.32 112.62 1cgq s GLY 107 Ca -0.01 0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.60 1cgq s GLY 107 CO -0.10 0.46 1.02 0.86 0.00 0.00 0.00 173.10 175.35 1cgq s TRP 108 N -1.66 -0.46 -1.37 1.90 -0.00 0.77 -4.95 118.94 113.18 1cgq s TRP 108 Ca 0.47 1.08 -0.11 0.00 -0.00 0.00 0.00 56.10 57.53 1cgq s TRP 108 Cb -0.15 0.38 0.01 0.00 -0.00 0.00 0.00 33.47 33.71 1cgq s TRP 108 CO 0.20 -0.25 0.41 -1.71 -0.00 0.00 0.00 176.95 175.60 1cgq n ASN 109 N 1.97 -1.53 0.00 5.86 4.05 -1.26 -1.23 115.26 123.12 1cgq n ASN 109 Ca -0.12 -1.15 0.00 0.00 0.45 0.00 0.00 54.58 53.76 1cgq n ASN 109 Cb 0.56 -2.39 0.00 0.00 1.23 0.00 0.00 39.78 39.18 1cgq n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1cgq n ASN 110 N -2.73 -3.68 0.00 1.20 5.03 -1.26 -4.91 115.26 108.90 1cgq n ASN 110 Ca -0.24 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.21 1cgq n ASN 110 Cb 0.65 -1.97 0.00 0.00 -1.02 0.00 0.00 39.78 37.44 1cgq n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1cgq n SER 111 N -0.43 0.00 -4.29 6.41 2.88 -0.37 -5.19 113.62 112.64 1cgq n SER 111 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1cgq n SER 111 Cb 0.22 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.59 1cgq n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1cgq s THR 112 N -1.44 0.80 -2.09 2.46 -4.23 -1.26 -0.16 115.64 109.73 1cgq s THR 112 Ca 0.00 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.65 1cgq s THR 112 Cb 0.00 -2.37 0.36 0.00 1.34 0.00 0.00 72.50 71.83 1cgq s THR 112 CO 0.00 0.00 1.43 0.49 -0.54 0.00 0.00 174.62 176.00 1cgq n PHE 113 N -0.96 0.16 0.57 3.99 3.72 -0.79 -4.83 117.46 119.32 1cgq n PHE 113 Ca -0.08 -0.08 0.05 0.00 -0.05 0.00 0.00 57.45 57.28 1cgq n PHE 113 Cb 0.66 0.00 0.27 0.00 -0.94 0.00 0.00 39.48 39.46 1cgq n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71