#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qcg s ASN 2 N 0.00 6.04 -0.04 4.52 0.01 -1.26 -4.94 114.94 119.27 1qcg s ASN 2 Ca 0.00 0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.34 1qcg s ASN 2 Cb 0.00 -1.76 -0.02 0.00 0.41 0.00 0.00 41.25 39.88 1qcg s ASN 2 CO 0.00 0.12 -0.25 0.28 -1.51 0.00 0.00 177.10 175.74 1qcg s THR 3 N -1.58 2.08 -0.28 1.60 -1.32 -1.26 -1.15 115.64 113.73 1qcg s THR 3 Ca 0.33 -1.08 -0.11 0.00 -1.21 0.00 0.00 61.69 59.62 1qcg s THR 3 Cb -0.12 -1.73 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 1qcg s THR 3 CO 0.26 0.58 0.19 -0.63 -2.21 0.00 0.00 174.62 172.80 1qcg s ILE 4 N -0.44 5.28 -0.26 5.08 -1.09 0.51 -4.94 121.20 125.34 1qcg s ILE 4 Ca 0.05 0.16 -0.15 0.00 -2.23 0.00 0.00 60.65 58.48 1qcg s ILE 4 Cb -0.11 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1qcg s ILE 4 CO 0.01 0.25 0.37 -0.63 -1.23 0.00 0.00 174.94 173.71 1qcg s ILE 5 N 1.75 5.19 -0.18 2.92 1.01 -1.26 -0.23 121.20 130.39 1qcg s ILE 5 Ca 0.07 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1qcg s ILE 5 Cb -0.16 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1qcg s ILE 5 CO 0.11 0.18 -0.16 -0.47 0.00 0.00 0.00 174.94 174.60 1qcg s TYR 6 N 1.92 2.52 -0.71 3.97 5.04 0.43 -4.97 117.35 125.55 1qcg s TYR 6 Ca 0.15 -1.52 -0.26 0.00 -2.44 0.00 0.00 57.07 53.01 1qcg s TYR 6 Cb -0.16 -1.75 0.04 0.00 0.35 0.00 0.00 41.96 40.44 1qcg s TYR 6 CO 0.09 -0.75 1.19 1.21 -1.34 0.00 0.00 175.55 175.96 1qcg s ASN 7 N 1.37 6.18 0.10 4.32 3.84 -1.26 -0.92 114.94 128.57 1qcg s ASN 7 Ca 0.03 -0.56 -0.14 0.00 0.21 0.00 0.00 52.86 52.40 1qcg s ASN 7 Cb -0.14 -2.52 -0.12 0.00 -0.55 0.00 0.00 41.25 37.92 1qcg s ASN 7 CO -0.11 -1.72 1.36 0.58 -2.79 0.00 0.00 177.10 174.42 1qcg h VAL 8 N 6.02 1.30 -0.20 -5.21 2.07 -0.62 -3.30 116.25 116.30 1qcg h VAL 8 Ca -0.28 -1.73 0.05 0.00 0.82 0.00 0.00 66.70 65.56 1qcg h VAL 8 Cb 1.06 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1qcg h VAL 8 CO 1.25 0.55 0.14 1.23 0.02 0.00 0.00 177.57 180.76 1qcg h GLY 9 N 0.49 0.06 -6.83 2.17 0.00 -1.72 -3.38 103.07 93.85 1qcg h GLY 9 Ca -0.00 -0.02 -0.45 0.00 0.00 0.00 0.00 47.33 46.86 1qcg h GLY 9 CO 0.11 0.02 -0.73 -0.45 0.00 0.00 0.00 176.54 175.49 1qcg s SER 10 N -6.77 2.64 0.34 0.19 0.15 -1.24 -4.89 113.70 104.12 1qcg s SER 10 Ca -0.05 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1qcg s SER 10 Cb 0.18 -0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 1qcg s SER 10 CO 0.69 -0.39 0.41 0.41 1.20 0.00 0.00 173.24 175.56 1qcg n THR 11 N 5.28 0.00 -4.05 6.45 -1.04 -1.26 -4.80 114.28 114.85 1qcg n THR 11 Ca -0.06 -1.96 -0.10 0.00 -2.04 0.00 0.00 64.05 59.89 1qcg n THR 11 Cb 0.46 1.11 -0.08 0.00 -1.82 0.00 0.00 70.33 70.00 1qcg n THR 11 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qcg s THR 12 N -2.98 0.06 0.38 12.58 -4.23 -1.26 -5.02 115.64 115.17 1qcg s THR 12 Ca 0.32 -1.63 0.30 0.00 -1.18 0.00 0.00 61.69 59.50 1qcg s THR 12 Cb 0.00 -2.04 0.32 0.00 1.34 0.00 0.00 72.50 72.12 1qcg s THR 12 CO 0.23 -0.27 2.08 0.16 -0.54 0.00 0.00 174.62 176.28 1qcg h ILE 13 N 2.61 0.42 -0.10 2.99 3.07 -1.97 -1.50 117.51 123.03 1qcg h ILE 13 Ca -0.33 -0.51 -0.23 0.00 1.55 0.00 0.00 64.86 65.34 1qcg h ILE 13 Cb 1.23 1.36 0.01 0.00 -0.27 0.00 0.00 36.82 39.14 1qcg h ILE 13 CO 0.51 0.10 -0.84 -1.28 -1.05 0.00 0.00 178.15 175.58 1qcg h SER 14 N 0.00 0.85 0.74 2.16 0.87 -1.99 -2.03 113.55 114.16 1qcg h SER 14 Ca -0.00 -0.59 -0.14 0.00 -1.23 0.00 0.00 61.79 59.83 1qcg h SER 14 Cb 0.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1qcg h SER 14 CO 0.01 1.38 -0.68 0.11 -0.53 0.00 0.00 176.83 177.12 1qcg h LYS 15 N 0.46 0.00 -0.25 2.24 1.57 -1.81 -1.42 116.57 117.36 1qcg h LYS 15 Ca -0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1qcg h LYS 15 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 1qcg h LYS 15 CO 0.17 0.68 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.73 1qcg h TYR 16 N 0.00 0.56 -0.92 -1.35 3.20 -1.27 -1.54 116.97 115.65 1qcg h TYR 16 Ca -0.01 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 1qcg h TYR 16 Cb 1.24 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1qcg h TYR 16 CO 0.00 0.72 0.52 0.00 -1.64 0.00 0.00 178.16 177.76 1qcg h ALA 17 N 0.76 1.18 -0.65 1.82 0.00 -1.21 -1.93 119.26 119.23 1qcg h ALA 17 Ca 0.06 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1qcg h ALA 17 Cb 0.55 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1qcg h ALA 17 CO 0.03 0.67 0.07 1.15 0.00 0.00 0.00 179.25 181.17 1qcg h THR 18 N 1.28 1.26 0.33 0.00 2.02 -1.15 -1.50 112.91 115.17 1qcg h THR 18 Ca 0.33 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1qcg h THR 18 Cb -0.00 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1qcg h THR 18 CO -0.06 0.40 -0.28 0.15 0.37 0.00 0.00 175.52 176.11 1qcg h PHE 19 N 1.02 -0.74 -0.59 3.16 3.57 -0.70 -1.15 116.94 121.50 1qcg h PHE 19 Ca 0.19 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1qcg h PHE 19 Cb 0.48 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1qcg h PHE 19 CO 0.03 -0.41 0.29 -0.07 -2.23 0.00 0.00 178.31 175.92 1qcg h LEU 20 N -0.62 0.75 -0.85 0.59 3.38 -1.30 -0.46 115.31 116.80 1qcg h LEU 20 Ca -0.02 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1qcg h LEU 20 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1qcg h LEU 20 CO -0.02 0.64 -0.05 -1.13 0.09 0.00 0.00 178.44 177.96 1qcg h ASN 21 N 0.83 0.78 -0.12 -0.43 -1.24 -1.00 -0.30 115.58 114.10 1qcg h ASN 21 Ca 0.21 -0.21 -0.18 0.00 0.71 0.00 0.00 56.30 56.83 1qcg h ASN 21 Cb 0.08 -0.21 -0.00 0.00 0.73 0.00 0.00 38.32 38.92 1qcg h ASN 21 CO -0.03 0.88 -0.58 0.44 -1.29 0.00 0.00 177.43 176.85 1qcg h ASP 22 N 0.74 0.81 -0.42 1.15 3.45 -0.71 -1.81 116.42 119.63 1qcg h ASP 22 Ca 0.13 -0.45 -0.14 0.00 0.43 0.00 0.00 57.03 57.00 1qcg h ASP 22 Cb 0.52 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 1qcg h ASP 22 CO 0.03 1.21 -0.30 0.25 -1.57 0.00 0.00 179.24 178.87 1qcg h LEU 23 N 0.55 1.00 -0.51 1.55 5.85 -0.80 -2.23 115.31 120.71 1qcg h LEU 23 Ca 0.00 -0.42 -0.13 0.00 0.84 0.00 0.00 57.88 58.17 1qcg h LEU 23 Cb 1.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1qcg h LEU 23 CO 0.12 1.21 -0.25 0.03 -0.34 0.00 0.00 178.44 179.21 1qcg h ARG 24 N 0.80 0.95 0.00 1.25 3.08 -1.07 -0.89 114.38 118.50 1qcg h ARG 24 Ca 0.09 -0.42 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1qcg h ARG 24 Cb 0.88 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 1qcg h ARG 24 CO 0.08 1.08 -0.33 -0.91 -1.07 0.00 0.00 179.97 178.82 1qcg h ASN 25 N 0.81 0.00 0.40 7.04 -0.26 -1.24 -1.28 115.58 121.05 1qcg h ASN 25 Ca 0.10 0.00 -0.31 0.00 -0.56 0.00 0.00 56.30 55.53 1qcg h ASN 25 Cb 0.82 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.05 1qcg h ASN 25 CO 0.07 0.33 -1.70 -0.08 -1.06 0.00 0.00 177.43 174.99 1qcg h GLU 26 N 0.00 0.16 0.04 0.81 4.57 -1.28 -3.39 114.58 115.49 1qcg h GLU 26 Ca -0.00 -0.27 -0.18 0.00 -1.18 0.00 0.00 59.36 57.73 1qcg h GLU 26 Cb 0.62 0.10 0.02 0.00 -0.16 0.00 0.00 28.75 29.33 1qcg h GLU 26 CO 0.04 0.92 -0.71 0.00 -1.18 0.00 0.00 179.01 178.08 1qcg h ALA 27 N 0.58 0.03 -2.80 2.92 0.00 -1.11 -3.47 119.26 115.41 1qcg h ALA 27 Ca -0.30 -0.62 -0.55 0.00 0.00 0.00 0.00 54.91 53.45 1qcg h ALA 27 Cb 2.01 0.06 0.17 0.00 0.00 0.00 0.00 17.79 20.03 1qcg h ALA 27 CO 0.11 0.39 0.37 0.36 0.00 0.00 0.00 179.25 180.49 1qcg n LYS 28 N -4.15 0.55 -2.45 0.00 2.85 -0.49 -4.32 118.16 110.16 1qcg n LYS 28 Ca -0.11 0.26 -0.36 0.00 -1.05 0.00 0.00 58.31 57.04 1qcg n LYS 28 Cb 0.74 -2.45 -0.03 0.00 -0.65 0.00 0.00 35.03 32.64 1qcg n LYS 28 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1qcg s ASP 29 N -1.80 6.54 0.58 -5.58 2.15 -0.53 -4.78 116.67 113.25 1qcg s ASP 29 Ca 0.77 2.12 0.27 0.00 0.43 0.00 0.00 52.55 56.14 1qcg s ASP 29 Cb -0.33 -2.59 1.70 0.00 -0.30 0.00 0.00 42.92 41.40 1qcg s ASP 29 CO 0.47 -0.65 2.21 -0.65 -0.17 0.00 0.00 175.17 176.38 1qcg h PRO 30 N 2.29 0.00 0.00 4.34 0.11 -1.93 -3.35 132.00 133.46 1qcg h PRO 30 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1qcg h PRO 30 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1qcg h PRO 30 CO 0.61 0.00 -0.42 -1.13 -0.21 0.00 0.00 178.00 176.86 1qcg n SER 31 N -3.97 2.08 -4.70 -2.05 3.41 -1.26 -5.07 113.62 102.07 1qcg n SER 31 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.17 1qcg n SER 31 Cb 0.12 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1qcg n SER 31 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qcg s LEU 32 N -1.36 4.36 -0.15 1.04 1.02 -1.26 -4.99 118.68 117.35 1qcg s LEU 32 Ca 0.00 2.45 -0.30 0.00 0.02 0.00 0.00 54.13 56.30 1qcg s LEU 32 Cb 0.00 -3.57 0.13 0.00 0.02 0.00 0.00 46.19 42.77 1qcg s LEU 32 CO 0.00 -0.84 1.03 -1.59 0.02 0.00 0.00 176.35 174.98 1qcg s LYS 33 N 2.22 0.55 -0.06 1.70 -2.85 -1.26 -0.99 119.74 119.05 1qcg s LYS 33 Ca 0.71 0.05 0.01 0.00 -1.00 0.00 0.00 55.97 55.74 1qcg s LYS 33 Cb -0.39 0.26 0.02 0.00 -2.06 0.00 0.00 37.83 35.65 1qcg s LYS 33 CO 0.31 -0.19 -0.07 0.00 0.10 0.00 0.00 175.35 175.50 1qcg n TYR 35 N 4.18 -1.80 -0.99 0.00 4.01 0.18 -1.91 117.16 120.82 1qcg n TYR 35 Ca -0.21 0.44 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1qcg n TYR 35 Cb 0.51 -4.42 0.00 0.00 -0.31 0.00 0.00 39.34 35.12 1qcg n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qcg n GLY 36 N -1.45 0.70 3.49 2.72 0.00 0.11 -4.80 105.19 105.96 1qcg n GLY 36 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1qcg n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qcg s ILE 37 N -2.86 4.54 0.52 -0.61 1.01 -0.80 -5.07 121.20 117.92 1qcg s ILE 37 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.33 1qcg s ILE 37 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1qcg s ILE 37 CO 0.00 0.33 1.36 -2.16 0.00 0.00 0.00 174.94 174.48 1qcg s PRO 38 N 1.52 3.27 0.16 2.79 0.04 -1.26 -1.58 135.00 139.94 1qcg s PRO 38 Ca 0.06 2.25 0.11 0.00 0.04 0.00 0.00 61.00 63.46 1qcg s PRO 38 Cb -0.15 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 1qcg s PRO 38 CO 0.05 -1.09 -0.23 1.41 0.04 0.00 0.00 177.00 177.18 1qcg s MET 39 N -2.81 1.58 0.72 4.56 1.75 -0.16 -0.73 119.30 124.20 1qcg s MET 39 Ca 0.69 -1.37 -0.13 0.00 -1.25 0.00 0.00 55.69 53.63 1qcg s MET 39 Cb -0.41 -1.94 0.03 0.00 2.84 0.00 0.00 34.83 35.35 1qcg s MET 39 CO 0.49 0.44 1.10 -0.51 -0.65 0.00 0.00 175.02 175.88 1qcg s LEU 40 N -2.37 3.20 0.71 4.11 1.43 -0.09 -1.46 118.68 124.22 1qcg s LEU 40 Ca 0.18 1.90 -0.11 0.00 -1.03 0.00 0.00 54.13 55.07 1qcg s LEU 40 Cb -0.09 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.61 1qcg s LEU 40 CO 0.09 -1.83 1.07 -2.16 0.23 0.00 0.00 176.35 173.76 1qcg s PRO 41 N -4.54 2.78 0.55 1.29 0.04 -1.26 -4.31 135.00 129.56 1qcg s PRO 41 Ca 0.64 0.75 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 1qcg s PRO 41 Cb -0.18 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1qcg s PRO 41 CO 0.49 -1.15 1.27 1.21 0.04 0.00 0.00 177.00 178.86 1qcg s ASN 42 N -3.98 5.34 0.54 6.66 3.84 -1.26 -4.21 114.94 121.88 1qcg s ASN 42 Ca 0.58 2.55 0.34 0.00 0.21 0.00 0.00 52.86 56.55 1qcg s ASN 42 Cb -0.13 -2.62 1.52 0.00 -0.55 0.00 0.00 41.25 39.47 1qcg s ASN 42 CO 0.54 -1.50 1.84 0.00 -2.79 0.00 0.00 177.10 175.19 1qcg h THR 43 N 1.27 0.47 -0.62 -5.21 1.03 -1.95 -1.53 112.91 106.36 1qcg h THR 43 Ca -0.50 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1qcg h THR 43 Cb 1.29 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1qcg h THR 43 CO 0.57 0.00 0.00 -0.46 -0.01 0.00 0.00 175.52 175.62 1qcg n ASN 44 N -4.21 4.59 -4.75 0.00 0.23 -1.26 -4.88 115.26 104.98 1qcg n ASN 44 Ca 0.22 -2.44 -0.40 0.00 -0.53 0.00 0.00 54.58 51.43 1qcg n ASN 44 Cb 1.11 -0.57 -0.05 0.00 -2.08 0.00 0.00 39.78 38.19 1qcg n ASN 44 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1qcg s THR 45 N -1.86 4.51 -0.01 5.53 2.01 -0.58 -5.04 115.64 120.20 1qcg s THR 45 Ca 0.49 1.83 0.01 0.00 0.31 0.00 0.00 61.69 64.33 1qcg s THR 45 Cb 0.32 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1qcg s THR 45 CO 0.23 0.40 -0.00 0.20 -0.69 0.00 0.00 174.62 174.76 1qcg s ASN 46 N -0.40 5.10 0.62 3.53 0.01 -1.26 -3.55 114.94 118.99 1qcg s ASN 46 Ca 0.41 0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 52.42 1qcg s ASN 46 Cb -0.23 -1.34 -0.02 0.00 0.41 0.00 0.00 41.25 40.07 1qcg s ASN 46 CO 0.27 0.30 1.06 -2.16 -1.51 0.00 0.00 177.10 175.06 1qcg s PRO 47 N -1.44 3.16 0.00 -0.60 0.04 -1.26 -5.09 135.00 129.82 1qcg s PRO 47 Ca 0.18 1.17 0.26 0.00 0.04 0.00 0.00 61.00 62.65 1qcg s PRO 47 Cb -0.11 -2.01 0.63 0.00 0.04 0.00 0.00 34.50 33.04 1qcg s PRO 47 CO 0.09 -0.93 1.50 1.63 0.04 0.00 0.00 177.00 179.32 1qcg n LYS 48 N -2.32 0.02 -4.38 4.56 5.02 -1.23 -4.88 118.16 114.94 1qcg n LYS 48 Ca 0.09 -0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 1qcg n LYS 48 Cb 0.53 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 1qcg n LYS 48 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1qcg s TYR 49 N -2.99 1.75 -0.14 2.13 2.02 -1.26 -0.63 117.35 118.23 1qcg s TYR 49 Ca 0.12 -1.05 -0.10 0.00 -0.37 0.00 0.00 57.07 55.67 1qcg s TYR 49 Cb 0.18 -1.09 0.04 0.00 -0.40 0.00 0.00 41.96 40.69 1qcg s TYR 49 CO 0.67 -0.14 0.36 0.54 -1.57 0.00 0.00 175.55 175.41 1qcg s VAL 50 N -3.50 -0.02 0.05 0.71 0.11 -0.62 -4.48 120.40 112.65 1qcg s VAL 50 Ca 0.36 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1qcg s VAL 50 Cb 0.08 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 1qcg s VAL 50 CO 0.14 0.02 0.13 -0.76 -3.33 0.00 0.00 175.10 171.31 1qcg s LEU 51 N 0.79 4.06 -0.27 2.54 1.02 -0.30 -1.11 118.68 125.40 1qcg s LEU 51 Ca -0.05 0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.25 1qcg s LEU 51 Cb -0.06 -2.61 0.08 0.00 0.02 0.00 0.00 46.19 43.62 1qcg s LEU 51 CO -0.06 0.20 0.02 -0.69 0.02 0.00 0.00 176.35 175.85 1qcg s VAL 52 N -1.38 1.30 -0.45 -1.59 1.01 -0.09 -0.36 120.40 118.85 1qcg s VAL 52 Ca 0.30 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1qcg s VAL 52 Cb -0.12 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1qcg s VAL 52 CO 0.22 -0.38 0.84 -0.70 0.00 0.00 0.00 175.10 175.08 1qcg s GLU 53 N 1.45 3.50 -0.56 2.72 2.12 0.68 -0.73 118.70 127.87 1qcg s GLU 53 Ca 0.02 0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.23 1qcg s GLU 53 Cb -0.18 -3.92 0.11 0.00 0.26 0.00 0.00 34.13 30.40 1qcg s GLU 53 CO -0.13 -1.13 0.59 -0.51 -0.54 0.00 0.00 175.26 173.54 1qcg s LEU 54 N 3.46 5.73 -0.55 2.70 1.43 -0.08 -0.43 118.68 130.95 1qcg s LEU 54 Ca 0.33 -1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 1qcg s LEU 54 Cb -0.11 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.89 1qcg s LEU 54 CO 0.24 -0.96 0.88 -1.10 0.23 0.00 0.00 176.35 175.63 1qcg s GLN 55 N 2.14 3.28 0.67 1.70 -0.21 -0.10 -2.24 119.66 124.91 1qcg s GLN 55 Ca 0.07 -0.43 0.03 0.00 0.02 0.00 0.00 55.36 55.06 1qcg s GLN 55 Cb -0.26 -4.07 0.12 0.00 1.00 0.00 0.00 33.01 29.79 1qcg s GLN 55 CO 0.05 -1.45 0.93 0.20 -2.12 0.00 0.00 175.29 172.90 1qcg s GLY 56 N 2.87 1.75 0.79 3.09 0.00 0.10 0.16 107.32 116.08 1qcg s GLY 56 Ca 0.27 -1.90 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 1qcg s GLY 56 CO 0.17 -1.36 1.13 -0.56 0.00 0.00 0.00 173.10 172.48 1qcg s SER 57 N -4.72 4.12 -1.27 1.64 0.01 -1.26 -3.54 113.70 108.67 1qcg s SER 57 Ca 0.65 2.03 -0.07 0.00 1.31 0.00 0.00 55.95 59.86 1qcg s SER 57 Cb -0.05 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.64 1qcg s SER 57 CO 0.43 -2.30 1.11 0.59 0.41 0.00 0.00 173.24 173.48 1qcg n ASN 58 N -3.43 -5.66 -2.57 2.44 3.02 -1.26 -2.71 115.26 105.09 1qcg n ASN 58 Ca 0.11 -0.52 -0.14 0.00 -0.03 0.00 0.00 54.58 54.00 1qcg n ASN 58 Cb 0.52 -4.83 -0.00 0.00 -0.61 0.00 0.00 39.78 34.85 1qcg n ASN 58 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qcg n LYS 59 N -4.70 -2.46 -3.56 3.52 5.02 -1.25 -4.94 118.16 109.78 1qcg n LYS 59 Ca -0.03 0.58 -0.39 0.00 -2.02 0.00 0.00 58.31 56.45 1qcg n LYS 59 Cb 0.57 -5.20 -0.11 0.00 -0.02 0.00 0.00 35.03 30.27 1qcg n LYS 59 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1qcg s LYS 60 N -5.17 3.73 0.06 1.97 -0.14 -1.10 -4.99 119.74 114.10 1qcg s LYS 60 Ca 0.06 -0.47 0.06 0.00 -1.36 0.00 0.00 55.97 54.25 1qcg s LYS 60 Cb -0.03 -3.72 -0.03 0.00 -1.68 0.00 0.00 37.83 32.37 1qcg s LYS 60 CO 0.07 -0.30 -0.16 0.99 -0.76 0.00 0.00 175.35 175.18 1qcg s THR 61 N 1.74 1.31 -0.03 2.17 2.01 -1.26 0.01 115.64 121.60 1qcg s THR 61 Ca 0.07 -1.21 -0.01 0.00 0.31 0.00 0.00 61.69 60.85 1qcg s THR 61 Cb -0.17 -1.20 0.03 0.00 0.01 0.00 0.00 72.50 71.17 1qcg s THR 61 CO 0.11 -0.03 0.05 -0.63 -0.69 0.00 0.00 174.62 173.42 1qcg s ILE 62 N -1.00 -0.05 -0.19 1.82 1.01 -0.95 -4.10 121.20 117.74 1qcg s ILE 62 Ca 0.03 0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 1qcg s ILE 62 Cb -0.09 -0.10 -0.03 0.00 0.01 0.00 0.00 42.46 42.26 1qcg s ILE 62 CO 0.02 0.07 0.00 -0.89 0.00 0.00 0.00 174.94 174.15 1qcg s THR 63 N 0.91 4.05 -0.00 2.92 2.01 0.36 -0.91 115.64 124.99 1qcg s THR 63 Ca -0.07 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.51 1qcg s THR 63 Cb -0.11 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1qcg s THR 63 CO -0.03 0.44 0.37 -0.76 -0.69 0.00 0.00 174.62 173.95 1qcg s LEU 64 N 0.84 4.45 -0.21 4.42 1.02 0.09 -0.42 118.68 128.87 1qcg s LEU 64 Ca 0.01 0.88 -0.04 0.00 0.02 0.00 0.00 54.13 54.99 1qcg s LEU 64 Cb -0.14 -2.58 -0.02 0.00 0.02 0.00 0.00 46.19 43.47 1qcg s LEU 64 CO 0.02 0.31 -0.02 -0.32 0.02 0.00 0.00 176.35 176.36 1qcg s MET 65 N -1.20 3.51 0.05 1.70 -2.45 -0.55 -0.91 119.30 119.46 1qcg s MET 65 Ca 0.24 -0.57 0.09 0.00 -1.25 0.00 0.00 55.69 54.20 1qcg s MET 65 Cb -0.16 -3.04 -0.03 0.00 1.25 0.00 0.00 34.83 32.85 1qcg s MET 65 CO 0.13 -0.08 -0.23 -0.51 1.05 0.00 0.00 175.02 175.38 1qcg s LEU 66 N 1.20 2.36 -0.18 4.11 1.02 -0.27 -0.60 118.68 126.33 1qcg s LEU 66 Ca 0.03 -0.55 -0.21 0.00 0.02 0.00 0.00 54.13 53.42 1qcg s LEU 66 Cb -0.14 -1.37 -0.03 0.00 0.02 0.00 0.00 46.19 44.67 1qcg s LEU 66 CO 0.00 0.25 0.64 -0.60 0.02 0.00 0.00 176.35 176.66 1qcg s ARG 67 N -1.43 4.25 0.32 1.70 3.52 -0.73 -1.59 118.95 124.99 1qcg s ARG 67 Ca 0.13 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.41 1qcg s ARG 67 Cb -0.10 -3.56 0.56 0.00 -1.56 0.00 0.00 34.95 30.30 1qcg s ARG 67 CO 0.04 -0.19 1.97 0.00 -0.81 0.00 0.00 175.30 176.31 1qcg h ARG 68 N 7.35 0.94 -0.95 5.12 3.08 -1.19 0.44 114.38 129.17 1qcg h ARG 68 Ca -0.33 -0.06 0.11 0.00 0.07 0.00 0.00 59.98 59.77 1qcg h ARG 68 Cb 1.15 -0.21 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 1qcg h ARG 68 CO 0.78 0.62 0.61 -0.97 -1.07 0.00 0.00 179.97 179.94 1qcg h ASN 69 N 0.97 0.87 0.00 7.04 -0.73 -1.77 -3.33 115.58 118.63 1qcg h ASN 69 Ca 0.30 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.50 1qcg h ASN 69 Cb 0.00 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.44 1qcg h ASN 69 CO -0.08 0.49 0.00 -0.46 -0.37 0.00 0.00 177.43 177.01 1qcg n ASN 70 N -4.56 0.42 -1.18 1.15 0.23 -1.18 -3.57 115.26 106.58 1qcg n ASN 70 Ca 0.17 -1.10 -0.15 0.00 -0.53 0.00 0.00 54.58 52.96 1qcg n ASN 70 Cb 0.32 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.96 1qcg n ASN 70 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1qcg n LEU 71 N -0.05 -0.91 -4.77 -4.53 4.77 0.15 -4.97 117.00 106.69 1qcg n LEU 71 Ca 0.00 0.38 -0.39 0.00 -0.03 0.00 0.00 56.01 55.97 1qcg n LEU 71 Cb 0.25 -2.66 -0.04 0.00 -2.33 0.00 0.00 43.42 38.64 1qcg n LEU 71 CO 0.00 -1.01 0.75 -0.31 -1.33 0.00 0.00 177.39 175.49 1qcg s TYR 72 N -2.36 3.51 -0.20 -1.77 4.12 -1.24 -4.72 117.35 114.69 1qcg s TYR 72 Ca 0.00 1.71 -0.29 0.00 0.02 0.00 0.00 57.07 58.50 1qcg s TYR 72 Cb 0.00 -3.19 0.00 0.00 -1.52 0.00 0.00 41.96 37.26 1qcg s TYR 72 CO 0.00 -0.45 1.03 0.08 0.02 0.00 0.00 175.55 176.23 1qcg s VAL 73 N -1.36 4.71 -0.25 0.71 1.01 -1.26 -1.77 120.40 122.19 1qcg s VAL 73 Ca 0.49 2.03 0.23 0.00 0.00 0.00 0.00 61.98 64.73 1qcg s VAL 73 Cb -0.27 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.76 1qcg s VAL 73 CO 0.35 -0.13 1.01 0.23 0.00 0.00 0.00 175.10 176.56 1qcg n MET 74 N 5.96 0.58 -3.90 2.72 0.00 0.23 -4.95 117.12 117.77 1qcg n MET 74 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1qcg n MET 74 Cb 0.47 -1.79 0.00 0.00 0.00 0.00 0.00 33.22 31.90 1qcg n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qcg n GLY 75 N 1.20 -1.61 3.53 3.03 0.00 -1.24 -1.86 105.19 108.23 1qcg n GLY 75 Ca -0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 1qcg n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qcg s TYR 76 N -2.83 0.01 0.13 1.61 1.13 -0.17 -1.48 117.35 115.75 1qcg s TYR 76 Ca 0.00 -0.37 0.06 0.00 -1.41 0.00 0.00 57.07 55.35 1qcg s TYR 76 Cb 0.00 0.32 -0.04 0.00 -1.10 0.00 0.00 41.96 41.14 1qcg s TYR 76 CO 0.00 -0.92 -0.14 -1.54 -2.51 0.00 0.00 175.55 170.44 1qcg s SER 77 N -2.91 2.03 -0.04 -0.18 1.04 0.44 0.20 113.70 114.29 1qcg s SER 77 Ca 0.12 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.68 1qcg s SER 77 Cb -0.01 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.05 1qcg s SER 77 CO -0.00 -0.15 0.11 1.51 0.98 0.00 0.00 173.24 175.69 1qcg s ASP 78 N -2.54 -0.09 0.11 7.02 -4.77 -0.37 -0.48 116.67 115.54 1qcg s ASP 78 Ca 0.10 0.16 -0.31 0.00 -3.30 0.00 0.00 52.55 49.21 1qcg s ASP 78 Cb -0.04 0.23 -0.09 0.00 -1.09 0.00 0.00 42.92 41.92 1qcg s ASP 78 CO 0.03 -0.08 1.71 -2.84 0.70 0.00 0.00 175.17 174.69 1qcg s PRO 79 N -0.12 4.17 0.08 2.11 0.02 -1.26 -1.83 135.00 138.18 1qcg s PRO 79 Ca -0.02 2.44 0.09 0.00 0.02 0.00 0.00 61.00 63.53 1qcg s PRO 79 Cb -0.02 -3.51 -0.03 0.00 0.02 0.00 0.00 34.50 30.96 1qcg s PRO 79 CO 0.00 -0.76 -0.23 0.12 -0.33 0.00 0.00 177.00 175.80 1qcg s PHE 80 N 2.41 2.02 0.00 6.54 5.36 -0.02 -3.36 117.98 130.93 1qcg s PHE 80 Ca 0.76 -0.39 0.00 0.00 -0.96 0.00 0.00 56.93 56.33 1qcg s PHE 80 Cb -0.43 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.10 1qcg s PHE 80 CO 0.34 0.19 0.00 0.39 -1.46 0.00 0.00 175.22 174.67 1qcg n GLU 81 N 1.41 0.00 0.00 10.12 1.02 -1.26 -1.43 120.64 130.50 1qcg n GLU 81 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 1qcg n GLU 81 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1qcg n GLU 81 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1qcg n THR 82 N 0.00 0.00 -2.51 2.62 -1.04 -1.26 -4.55 114.28 107.54 1qcg n THR 82 Ca 0.00 0.71 0.04 0.00 -2.04 0.00 0.00 64.05 62.76 1qcg n THR 82 Cb 0.00 -1.43 0.02 0.00 -1.82 0.00 0.00 70.33 67.10 1qcg n THR 82 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1qcg n ASN 83 N -0.32 1.00 -4.91 8.00 6.94 -1.25 -5.10 115.26 119.61 1qcg n ASN 83 Ca 0.00 -2.00 -0.27 0.00 -0.02 0.00 0.00 54.58 52.29 1qcg n ASN 83 Cb 0.00 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 1qcg n ASN 83 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1qcg s LYS 84 N -0.15 3.41 -0.27 -3.83 1.02 -0.51 -4.95 119.74 114.47 1qcg s LYS 84 Ca 0.33 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.42 1qcg s LYS 84 Cb 0.38 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 35.36 1qcg s LYS 84 CO -0.16 -0.26 -0.07 0.00 -0.92 0.00 0.00 175.35 173.93 1qcg s ARG 86 N 1.19 3.75 -0.07 0.00 3.52 -0.76 -0.36 118.95 126.22 1qcg s ARG 86 Ca -0.06 -0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.36 1qcg s ARG 86 Cb -0.19 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 1qcg s ARG 86 CO -0.04 -0.49 0.10 1.52 -0.81 0.00 0.00 175.30 175.58 1qcg s TYR 87 N 2.20 3.42 -0.21 5.12 1.13 0.14 -1.24 117.35 127.92 1qcg s TYR 87 Ca 0.16 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.18 1qcg s TYR 87 Cb -0.16 -1.85 0.05 0.00 -1.10 0.00 0.00 41.96 38.91 1qcg s TYR 87 CO 0.12 0.62 -0.06 -1.01 -2.51 0.00 0.00 175.55 172.71 1qcg s HIS 88 N -1.07 2.20 -0.13 -3.49 3.76 0.13 -1.44 115.29 115.25 1qcg s HIS 88 Ca 0.18 -1.55 -0.08 0.00 -0.15 0.00 0.00 55.06 53.46 1qcg s HIS 88 Cb -0.12 -1.51 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 1qcg s HIS 88 CO 0.08 -0.73 0.15 0.42 -0.85 0.00 0.00 174.74 173.81 1qcg s ILE 89 N 1.46 5.46 0.41 0.60 1.01 -1.26 -1.00 121.20 127.88 1qcg s ILE 89 Ca -0.03 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.60 1qcg s ILE 89 Cb -0.17 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1qcg s ILE 89 CO -0.07 0.58 1.30 -0.36 0.00 0.00 0.00 174.94 176.39 1qcg s PHE 90 N -0.71 2.81 0.60 3.97 0.08 -0.78 -1.58 117.98 122.38 1qcg s PHE 90 Ca 0.14 1.41 0.29 0.00 0.12 0.00 0.00 56.93 58.89 1qcg s PHE 90 Cb -0.12 -3.67 1.59 0.00 -0.57 0.00 0.00 43.02 40.25 1qcg s PHE 90 CO 0.03 -2.10 1.99 -0.97 -0.10 0.00 0.00 175.22 174.07 1qcg h ASN 91 N 2.66 0.00 -0.42 1.36 -1.24 -1.08 -1.12 115.58 115.75 1qcg h ASN 91 Ca -0.50 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.51 1qcg h ASN 91 Cb 1.25 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.30 1qcg h ASN 91 CO 0.62 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.86 1qcg n ASP 92 N -3.62 3.61 -4.68 1.15 5.68 -1.26 -4.84 116.55 112.59 1qcg n ASP 92 Ca 0.04 -2.40 -0.35 0.00 -0.50 0.00 0.00 54.79 51.57 1qcg n ASP 92 Cb 0.48 -0.52 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 1qcg n ASP 92 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1qcg s ILE 93 N -1.88 5.19 0.34 2.12 -1.09 -0.42 -5.05 121.20 120.39 1qcg s ILE 93 Ca 0.35 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.92 1qcg s ILE 93 Cb 0.24 -3.37 -0.06 0.00 -1.58 0.00 0.00 42.46 37.69 1qcg s ILE 93 CO 0.14 0.43 0.07 -0.44 -1.23 0.00 0.00 174.94 173.91 1qcg s SER 94 N 0.49 2.44 0.87 3.58 0.01 -1.26 -4.77 113.70 115.05 1qcg s SER 94 Ca 0.06 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1qcg s SER 94 Cb -0.12 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.11 1qcg s SER 94 CO -0.00 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.60 1qcg n GLY 95 N -0.72 2.70 0.25 3.44 0.00 -1.26 -2.64 105.19 106.96 1qcg n GLY 95 Ca -0.03 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.78 1qcg n GLY 95 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qcg h THR 96 N 0.00 0.75 0.00 2.61 1.35 -2.01 -2.44 112.91 113.16 1qcg h THR 96 Ca 0.00 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 1qcg h THR 96 Cb 0.00 1.39 -0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1qcg h THR 96 CO 0.00 0.16 -0.05 -0.33 -0.25 0.00 0.00 175.52 175.04 1qcg h GLU 97 N 0.00 0.00 -0.28 4.72 5.08 -1.91 -1.77 114.58 120.42 1qcg h GLU 97 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 1qcg h GLU 97 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1qcg h GLU 97 CO 0.02 0.05 -0.37 0.00 -1.00 0.00 0.00 179.01 177.71 1qcg h ARG 98 N 0.00 0.75 0.00 2.33 3.08 -1.48 -1.49 114.38 117.57 1qcg h ARG 98 Ca -0.00 -0.43 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 1qcg h ARG 98 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1qcg h ARG 98 CO 0.01 1.06 -0.25 0.37 -1.07 0.00 0.00 179.97 180.09 1qcg h GLN 99 N 0.50 0.00 -0.46 0.04 5.75 -1.60 -2.95 115.11 116.39 1qcg h GLN 99 Ca 0.03 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.39 1qcg h GLN 99 Cb 0.96 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 1qcg h GLN 99 CO 0.09 0.25 -0.26 -0.44 -2.65 0.00 0.00 178.83 175.81 1qcg h ASP 100 N 0.00 1.01 -0.45 -0.69 5.19 -1.09 0.27 116.42 120.66 1qcg h ASP 100 Ca -0.00 -0.40 -0.08 0.00 -0.62 0.00 0.00 57.03 55.92 1qcg h ASP 100 Cb 0.96 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.18 1qcg h ASP 100 CO 0.03 1.20 -0.03 0.58 -3.12 0.00 0.00 179.24 177.91 1qcg h VAL 101 N 0.83 1.27 0.46 -1.35 2.07 -1.19 -0.51 116.25 117.82 1qcg h VAL 101 Ca 0.10 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1qcg h VAL 101 Cb 0.84 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1qcg h VAL 101 CO 0.07 0.38 -0.22 -0.08 0.02 0.00 0.00 177.57 177.74 1qcg h GLU 102 N 0.66 -0.59 0.00 1.57 4.81 -1.35 -1.74 114.58 117.93 1qcg h GLU 102 Ca 0.13 0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.31 1qcg h GLU 102 Cb 0.54 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1qcg h GLU 102 CO 0.03 -0.37 -0.42 1.79 -0.73 0.00 0.00 179.01 179.31 1qcg h THR 103 N -0.66 0.87 0.05 0.32 1.35 -0.96 -2.00 112.91 111.86 1qcg h THR 103 Ca -0.06 -1.75 -0.07 0.00 -0.55 0.00 0.00 66.41 63.98 1qcg h THR 103 Cb 0.50 2.09 0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1qcg h THR 103 CO 0.10 0.41 -0.32 0.74 -0.25 0.00 0.00 175.52 176.20 1qcg h THR 104 N 0.00 1.66 -0.18 6.82 2.02 -1.07 -3.10 112.91 119.06 1qcg h THR 104 Ca -0.00 -2.35 -0.06 0.00 0.77 0.00 0.00 66.41 64.77 1qcg h THR 104 Cb 1.06 3.23 -0.00 0.00 -1.74 0.00 0.00 68.15 70.69 1qcg h THR 104 CO 0.05 0.63 -0.12 -0.07 0.37 0.00 0.00 175.52 176.39 1qcg h LEU 105 N -0.70 0.41 -7.12 2.58 3.38 -1.40 -3.37 115.31 109.08 1qcg h LEU 105 Ca -0.05 -0.44 -0.62 0.00 0.09 0.00 0.00 57.88 56.86 1qcg h LEU 105 Cb 1.22 -0.11 -0.42 0.00 0.09 0.00 0.00 40.66 41.44 1qcg h LEU 105 CO 0.06 0.76 -0.57 0.00 0.09 0.00 0.00 178.44 178.78 1qcg h PRO 107 N 5.52 0.00 -5.86 0.00 0.13 -1.72 -3.40 132.00 126.68 1qcg h PRO 107 Ca 0.12 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.64 1qcg h PRO 107 Cb 0.77 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.77 1qcg h PRO 107 CO 0.72 0.00 0.49 1.21 -0.23 0.00 0.00 178.00 180.19 1qcg s ASN 108 N -5.54 6.39 0.50 1.44 3.84 -1.26 -4.88 114.94 115.42 1qcg s ASN 108 Ca -0.05 -0.22 0.29 0.00 0.21 0.00 0.00 52.86 53.10 1qcg s ASN 108 Cb 0.14 -2.42 1.21 0.00 -0.55 0.00 0.00 41.25 39.62 1qcg s ASN 108 CO 0.47 -1.09 1.93 0.00 -2.79 0.00 0.00 177.10 175.62 1qcg h ALA 109 N 9.16 1.04 0.00 1.71 0.00 -1.98 -3.03 119.26 126.16 1qcg h ALA 109 Ca -0.25 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1qcg h ALA 109 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1qcg h ALA 109 CO 1.03 0.14 -0.39 -0.97 0.00 0.00 0.00 179.25 179.07 1qcg h ASN 110 N 0.00 0.00 0.00 0.00 -0.00 -1.95 -3.35 115.58 110.28 1qcg h ASN 110 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1qcg h ASN 110 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.90 1qcg h ASN 110 CO 0.01 0.39 -0.02 -1.54 -0.00 0.00 0.00 177.43 176.28 1qcg n SER 111 N -3.29 1.94 -4.87 1.15 3.41 -1.17 -5.06 113.62 105.74 1qcg n SER 111 Ca 0.01 -2.30 -0.33 0.00 -0.26 0.00 0.00 58.87 55.99 1qcg n SER 111 Cb 0.63 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 1qcg n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qcg s ARG 112 N -1.53 3.83 0.02 4.33 1.70 -1.15 -1.85 118.95 124.29 1qcg s ARG 112 Ca 0.11 0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.67 1qcg s ARG 112 Cb 0.09 -2.75 -0.01 0.00 -0.57 0.00 0.00 34.95 31.71 1qcg s ARG 112 CO 0.01 0.38 -0.05 0.54 -1.08 0.00 0.00 175.30 175.10 1qcg s VAL 113 N -1.70 0.36 -0.06 4.99 0.11 0.52 -4.88 120.40 119.74 1qcg s VAL 113 Ca 0.44 -0.67 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 1qcg s VAL 113 Cb -0.12 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1qcg s VAL 113 CO 0.21 -0.21 0.13 -0.55 -3.33 0.00 0.00 175.10 171.35 1qcg s SER 114 N -0.94 6.15 -0.37 3.54 0.15 -1.26 -0.68 113.70 120.29 1qcg s SER 114 Ca -0.06 0.34 0.04 0.00 0.70 0.00 0.00 55.95 56.97 1qcg s SER 114 Cb -0.06 -1.91 0.16 0.00 -1.71 0.00 0.00 66.02 62.49 1qcg s SER 114 CO -0.00 0.34 0.45 -0.75 1.20 0.00 0.00 173.24 174.48 1qcg s LYS 115 N -1.43 0.65 0.74 5.44 2.20 -0.52 -4.92 119.74 121.89 1qcg s LYS 115 Ca 0.20 -0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 55.11 1qcg s LYS 115 Cb -0.12 -0.43 0.03 0.00 -1.51 0.00 0.00 37.83 35.79 1qcg s LYS 115 CO 0.10 -1.17 1.10 0.09 -0.36 0.00 0.00 175.35 175.12 1qcg n ASN 116 N 4.47 0.96 -4.43 1.43 5.03 -1.26 -3.96 115.26 117.49 1qcg n ASN 116 Ca 0.09 0.67 -0.44 0.00 0.87 0.00 0.00 54.58 55.78 1qcg n ASN 116 Cb 0.49 -1.47 -0.07 0.00 -1.02 0.00 0.00 39.78 37.71 1qcg n ASN 116 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1qcg s ILE 117 N -1.83 5.07 -0.69 2.41 1.01 -0.62 -4.85 121.20 121.69 1qcg s ILE 117 Ca 0.75 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1qcg s ILE 117 Cb -0.33 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1qcg s ILE 117 CO 0.49 -0.64 0.43 0.59 0.00 0.00 0.00 174.94 175.81 1qcg n ASN 118 N 5.66 1.07 -3.69 3.58 5.03 -1.26 -2.19 115.26 123.45 1qcg n ASN 118 Ca -0.09 -1.32 -0.11 0.00 0.87 0.00 0.00 54.58 53.93 1qcg n ASN 118 Cb 0.45 -0.33 -0.06 0.00 -1.02 0.00 0.00 39.78 38.82 1qcg n ASN 118 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1qcg s PHE 119 N -0.58 -0.14 0.86 3.10 -0.12 -1.26 -4.92 117.98 114.91 1qcg s PHE 119 Ca 0.00 -0.11 -0.13 0.00 -0.05 0.00 0.00 56.93 56.64 1qcg s PHE 119 Cb 0.00 0.18 0.12 0.00 -0.63 0.00 0.00 43.02 42.68 1qcg s PHE 119 CO 0.00 -0.62 1.21 0.16 -0.05 0.00 0.00 175.22 175.92 1qcg s ASP 120 N -2.55 4.01 0.00 1.98 1.47 -1.26 -2.41 116.67 117.90 1qcg s ASP 120 Ca 0.01 0.68 0.18 0.00 1.18 0.00 0.00 52.55 54.59 1qcg s ASP 120 Cb 0.01 -1.07 0.75 0.00 -0.34 0.00 0.00 42.92 42.28 1qcg s ASP 120 CO -0.09 -2.21 1.53 -1.54 0.68 0.00 0.00 175.17 173.54 1qcg n SER 121 N -3.50 1.23 -4.77 2.11 3.41 -1.26 -4.58 113.62 106.26 1qcg n SER 121 Ca 0.10 -1.69 -0.41 0.00 -0.26 0.00 0.00 58.87 56.61 1qcg n SER 121 Cb 0.60 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1qcg n SER 121 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qcg s ARG 122 N -1.82 3.97 0.22 4.33 0.52 -1.26 -4.81 118.95 120.11 1qcg s ARG 122 Ca 0.29 2.52 -0.08 0.00 -0.52 0.00 0.00 55.73 57.94 1qcg s ARG 122 Cb 0.15 -2.87 0.31 0.00 0.52 0.00 0.00 34.95 33.07 1qcg s ARG 122 CO 0.23 -0.62 1.77 1.88 0.02 0.00 0.00 175.30 178.58 1qcg h TYR 123 N 2.78 0.59 0.00 -0.53 0.05 -1.99 -0.28 116.97 117.58 1qcg h TYR 123 Ca -0.51 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1qcg h TYR 123 Cb 1.25 -0.16 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1qcg h TYR 123 CO 0.52 0.21 -0.04 -1.35 -1.05 0.00 0.00 178.16 176.46 1qcg h PRO 124 N 0.57 0.00 -0.02 4.88 0.11 -1.98 0.19 132.00 135.74 1qcg h PRO 124 Ca 0.33 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.36 1qcg h PRO 124 Cb 0.35 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.47 1qcg h PRO 124 CO -0.27 0.04 -0.32 1.15 -0.21 0.00 0.00 178.00 178.39 1qcg h THR 125 N 0.00 1.48 -0.92 -1.15 2.02 -1.43 -2.40 112.91 110.52 1qcg h THR 125 Ca -0.00 -1.87 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1qcg h THR 125 Cb 0.08 2.57 -0.04 0.00 -1.74 0.00 0.00 68.15 69.01 1qcg h THR 125 CO 0.00 0.52 0.55 -0.07 0.37 0.00 0.00 175.52 176.90 1qcg h LEU 126 N -0.33 1.11 -0.77 2.58 3.38 -0.46 -0.44 115.31 120.38 1qcg h LEU 126 Ca -0.03 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1qcg h LEU 126 Cb 1.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1qcg h LEU 126 CO 0.06 0.86 -0.23 -0.33 0.09 0.00 0.00 178.44 178.89 1qcg h GLU 127 N 1.27 0.67 -0.41 1.13 5.08 -0.69 -0.89 114.58 120.75 1qcg h GLU 127 Ca 0.33 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1qcg h GLU 127 Cb -0.04 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1qcg h GLU 127 CO -0.06 0.85 -0.11 1.03 -1.00 0.00 0.00 179.01 179.72 1qcg h SER 128 N 0.59 0.80 -0.28 1.42 0.87 -0.87 -0.52 113.55 115.55 1qcg h SER 128 Ca 0.08 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.18 1qcg h SER 128 Cb 0.71 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1qcg h SER 128 CO 0.05 0.98 -0.16 0.11 -0.53 0.00 0.00 176.83 177.28 1qcg h LYS 129 N 0.61 0.72 0.00 2.24 1.79 -0.84 -2.42 116.57 118.66 1qcg h LYS 129 Ca 0.10 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1qcg h LYS 129 Cb 0.63 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 1qcg h LYS 129 CO 0.04 0.84 0.00 0.00 -1.08 0.00 0.00 179.45 179.25 1qcg n ALA 130 N -2.49 2.49 -2.95 3.86 0.00 -0.36 -3.61 120.51 117.45 1qcg n ALA 130 Ca 0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 1qcg n ALA 130 Cb 0.39 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.42 1qcg n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qcg n GLY 131 N 0.81 -0.15 3.25 0.00 0.00 -0.91 -5.00 105.19 103.19 1qcg n GLY 131 Ca 0.19 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1qcg n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qcg s VAL 132 N -3.07 1.31 0.04 1.61 -7.23 -0.25 -5.04 120.40 107.78 1qcg s VAL 132 Ca 0.28 -1.81 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1qcg s VAL 132 Cb -0.12 -1.61 -0.18 0.00 0.56 0.00 0.00 36.38 35.02 1qcg s VAL 132 CO 0.35 -0.49 1.13 0.11 -0.31 0.00 0.00 175.10 175.88 1qcg h LYS 133 N 3.33 0.00 -3.40 4.82 6.56 -1.96 -3.36 116.57 122.54 1qcg h LYS 133 Ca -0.39 0.00 -0.15 0.00 -1.06 0.00 0.00 60.65 59.05 1qcg h LYS 133 Cb 1.20 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 32.63 1qcg h LYS 133 CO 0.54 0.80 -0.48 0.45 -2.06 0.00 0.00 179.45 178.69 1qcg s SER 134 N -6.49 -0.06 0.00 0.86 0.15 -1.26 -5.00 113.70 101.89 1qcg s SER 134 Ca -0.00 0.01 0.19 0.00 0.70 0.00 0.00 55.95 56.84 1qcg s SER 134 Cb 0.09 0.27 1.06 0.00 -1.71 0.00 0.00 66.02 65.73 1qcg s SER 134 CO 0.81 -0.27 1.55 -2.11 1.20 0.00 0.00 173.24 174.42 1qcg n ARG 135 N 1.95 0.45 0.23 5.44 1.85 -1.26 -1.91 116.66 123.41 1qcg n ARG 135 Ca -0.19 0.05 0.11 0.00 -1.00 0.00 0.00 57.85 56.81 1qcg n ARG 135 Cb 0.57 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.94 1qcg n ARG 135 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1qcg h SER 136 N 0.00 0.00 1.29 2.89 4.64 -1.95 -2.53 113.55 117.88 1qcg h SER 136 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qcg h SER 136 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1qcg h SER 136 CO 0.00 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 1qcg n GLN 137 N -3.34 0.16 -3.53 4.77 6.02 -0.80 -4.34 117.38 116.31 1qcg n GLN 137 Ca 0.00 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 1qcg n GLN 137 Cb 0.42 -1.69 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 1qcg n GLN 137 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1qcg s VAL 138 N -3.06 4.83 0.48 5.09 1.01 -0.96 -5.07 120.40 122.72 1qcg s VAL 138 Ca 0.12 -0.86 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 1qcg s VAL 138 Cb 0.15 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 32.72 1qcg s VAL 138 CO 0.57 -0.32 1.17 -1.10 0.00 0.00 0.00 175.10 175.42 1qcg s GLN 139 N 1.59 3.67 0.40 2.72 -0.21 -1.26 -4.54 119.66 122.03 1qcg s GLN 139 Ca 0.03 1.78 0.08 0.00 0.02 0.00 0.00 55.36 57.26 1qcg s GLN 139 Cb -0.20 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 1qcg s GLN 139 CO 0.07 -0.63 0.42 -0.51 -2.12 0.00 0.00 175.29 172.53 1qcg s LEU 140 N -3.16 3.54 0.00 2.90 1.43 0.30 -4.88 118.68 118.82 1qcg s LEU 140 Ca 0.65 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1qcg s LEU 140 Cb -0.29 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1qcg s LEU 140 CO 0.34 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1qcg n GLY 141 N -1.61 3.88 0.09 -3.19 0.00 -1.26 -1.58 105.19 101.52 1qcg n GLY 141 Ca 0.04 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 1qcg n GLY 141 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qcg h ILE 142 N 4.59 0.86 0.00 -0.61 1.08 -1.79 0.11 117.51 121.75 1qcg h ILE 142 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.39 1qcg h ILE 142 Cb 0.00 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 1qcg h ILE 142 CO 0.00 0.00 -0.39 0.06 -0.69 0.00 0.00 178.15 177.13 1qcg h GLN 143 N -0.03 0.00 -0.26 2.37 -0.00 -1.89 -0.85 115.11 114.44 1qcg h GLN 143 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 58.65 58.53 1qcg h GLN 143 Cb 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.59 1qcg h GLN 143 CO -0.12 0.39 -0.54 0.82 -0.00 0.00 0.00 178.83 179.37 1qcg h ILE 144 N 0.00 1.29 -0.03 1.86 2.04 -1.76 -1.71 117.51 119.20 1qcg h ILE 144 Ca -0.00 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.11 1qcg h ILE 144 Cb 0.69 1.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1qcg h ILE 144 CO 0.05 0.56 0.01 0.25 0.00 0.00 0.00 178.15 179.03 1qcg h LEU 145 N 0.61 0.04 -0.50 1.44 5.85 -0.25 -1.79 115.31 120.71 1qcg h LEU 145 Ca 0.01 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1qcg h LEU 145 Cb 1.14 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.08 1qcg h LEU 145 CO 0.12 0.20 0.05 -0.78 -0.34 0.00 0.00 178.44 177.69 1qcg h ASP 146 N -0.11 -0.10 -0.59 1.25 1.82 -1.11 -1.03 116.42 116.54 1qcg h ASP 146 Ca 0.01 0.11 -0.04 0.00 -0.39 0.00 0.00 57.03 56.71 1qcg h ASP 146 Cb 0.17 0.17 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1qcg h ASP 146 CO -0.00 -0.02 0.22 -1.28 -1.61 0.00 0.00 179.24 176.54 1qcg h SER 147 N 0.18 0.86 0.24 2.28 0.87 -1.12 -2.38 113.55 114.48 1qcg h SER 147 Ca 0.26 -0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 1qcg h SER 147 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1qcg h SER 147 CO -0.38 0.79 -0.65 0.78 -0.53 0.00 0.00 176.83 176.85 1qcg h ASN 148 N 0.91 0.45 -0.26 6.23 -0.26 -0.50 -2.58 115.58 119.56 1qcg h ASN 148 Ca 0.21 -0.27 -0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1qcg h ASN 148 Cb 0.23 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1qcg h ASN 148 CO -0.01 0.98 0.15 0.40 -1.06 0.00 0.00 177.43 177.88 1qcg h ILE 149 N 0.28 1.11 0.00 2.81 2.04 -1.00 -2.29 117.51 120.47 1qcg h ILE 149 Ca -0.01 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1qcg h ILE 149 Cb 1.20 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1qcg h ILE 149 CO 0.11 0.11 -0.00 1.23 0.00 0.00 0.00 178.15 179.60 1qcg h GLY 150 N 0.32 0.00 1.79 5.37 0.00 -1.36 0.14 103.07 109.33 1qcg h GLY 150 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1qcg h GLY 150 CO -0.02 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.83 1qcg h LYS 151 N 0.00 0.00 0.00 4.80 1.57 -1.00 -3.40 116.57 118.54 1qcg h LYS 151 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1qcg h LYS 151 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1qcg h LYS 151 CO 0.00 0.00 -1.36 -0.89 -0.57 0.00 0.00 179.45 176.63 1qcg n ILE 152 N -2.78 1.06 -1.69 1.86 2.08 -0.56 -4.80 119.36 114.53 1qcg n ILE 152 Ca 0.04 -0.03 -0.54 0.00 0.56 0.00 0.00 62.75 62.78 1qcg n ILE 152 Cb 0.50 -1.83 -0.06 0.00 -0.75 0.00 0.00 39.64 37.50 1qcg n ILE 152 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1qcg n SER 153 N -3.83 2.64 0.00 4.38 2.88 0.39 -1.39 113.62 118.69 1qcg n SER 153 Ca -0.22 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1qcg n SER 153 Cb 0.55 -1.22 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 1qcg n SER 153 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qcg n GLY 154 N 4.05 1.76 3.63 0.46 0.00 -1.21 -4.89 105.19 108.98 1qcg n GLY 154 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1qcg n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qcg s VAL 155 N -2.49 4.98 0.08 1.61 -7.23 -0.49 -4.60 120.40 112.27 1qcg s VAL 155 Ca 0.00 1.14 -0.29 0.00 -1.81 0.00 0.00 61.98 61.03 1qcg s VAL 155 Cb 0.00 -3.94 -0.12 0.00 0.56 0.00 0.00 36.38 32.88 1qcg s VAL 155 CO 0.00 0.03 1.46 -0.03 -0.31 0.00 0.00 175.10 176.25 1qcg h MET 156 N 7.86 -0.62 -6.05 4.82 1.85 -1.94 -3.42 114.93 117.44 1qcg h MET 156 Ca -0.27 0.04 -0.68 0.00 -0.61 0.00 0.00 59.70 58.18 1qcg h MET 156 Cb 1.12 0.14 -0.27 0.00 0.43 0.00 0.00 31.60 33.03 1qcg h MET 156 CO 0.77 -0.41 -0.81 -1.12 -0.40 0.00 0.00 176.91 174.94 1qcg s SER 157 N -4.23 3.69 -0.03 1.39 0.01 -1.26 -5.10 113.70 108.17 1qcg s SER 157 Ca -0.14 -0.33 -0.16 0.00 1.31 0.00 0.00 55.95 56.63 1qcg s SER 157 Cb 0.05 -0.97 0.03 0.00 0.21 0.00 0.00 66.02 65.34 1qcg s SER 157 CO 0.50 0.28 0.36 0.72 0.41 0.00 0.00 173.24 175.50 1qcg s PHE 158 N -0.34 -0.26 0.68 2.43 -0.12 -1.26 -5.09 117.98 114.02 1qcg s PHE 158 Ca 0.02 0.44 -0.12 0.00 -0.05 0.00 0.00 56.93 57.23 1qcg s PHE 158 Cb -0.13 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.41 1qcg s PHE 158 CO 0.02 -0.40 1.06 -0.08 -0.05 0.00 0.00 175.22 175.78 1qcg s THR 159 N -1.16 3.91 0.44 -4.49 -1.32 -1.26 -4.91 115.64 106.86 1qcg s THR 159 Ca -0.12 0.67 0.12 0.00 -1.21 0.00 0.00 61.69 61.16 1qcg s THR 159 Cb -0.04 -3.34 0.20 0.00 -1.51 0.00 0.00 72.50 67.81 1qcg s THR 159 CO 0.04 -0.76 2.01 -0.33 -2.21 0.00 0.00 174.62 173.37 1qcg h GLU 160 N -0.55 0.14 -0.41 7.08 5.08 -1.99 -1.84 114.58 122.09 1qcg h GLU 160 Ca -0.44 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 57.85 1qcg h GLU 160 Cb 1.21 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1qcg h GLU 160 CO 0.56 0.22 0.07 -0.22 -1.00 0.00 0.00 179.01 178.65 1qcg h LYS 161 N 0.14 0.68 -0.34 2.33 3.64 -1.93 0.11 116.57 121.19 1qcg h LYS 161 Ca 0.03 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1qcg h LYS 161 Cb 0.22 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1qcg h LYS 161 CO 0.01 0.72 0.15 1.15 -2.27 0.00 0.00 179.45 179.21 1qcg h THR 162 N 0.53 1.18 -0.70 1.00 2.02 -1.77 -1.78 112.91 113.38 1qcg h THR 162 Ca 0.12 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.71 1qcg h THR 162 Cb 0.37 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1qcg h THR 162 CO 0.01 0.19 0.15 -0.08 0.37 0.00 0.00 175.52 176.15 1qcg h GLU 163 N 0.41 1.14 -0.64 6.66 4.81 -1.17 -2.47 114.58 123.32 1qcg h GLU 163 Ca 0.12 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1qcg h GLU 163 Cb 0.15 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1qcg h GLU 163 CO -0.01 1.02 0.16 0.00 -0.73 0.00 0.00 179.01 179.44 1qcg h ALA 164 N 1.07 1.07 -0.28 2.92 0.00 -0.51 -0.28 119.26 123.25 1qcg h ALA 164 Ca 0.22 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1qcg h ALA 164 Cb 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1qcg h ALA 164 CO 0.01 0.62 -0.42 0.93 0.00 0.00 0.00 179.25 180.38 1qcg h GLU 165 N 0.96 0.70 -0.05 0.00 5.08 -1.21 0.14 114.58 120.20 1qcg h GLU 165 Ca 0.20 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1qcg h GLU 165 Cb 0.33 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1qcg h GLU 165 CO -0.00 0.99 0.01 0.35 -1.00 0.00 0.00 179.01 179.37 1qcg h PHE 166 N 0.57 0.08 -0.59 4.33 3.57 -0.99 -1.94 116.94 121.97 1qcg h PHE 166 Ca 0.04 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.55 1qcg h PHE 166 Cb 0.97 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.65 1qcg h PHE 166 CO 0.05 0.26 0.38 -0.07 -2.23 0.00 0.00 178.31 176.70 1qcg h LEU 167 N -0.12 0.64 -0.09 0.59 4.07 -0.92 0.16 115.31 119.63 1qcg h LEU 167 Ca 0.02 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1qcg h LEU 167 Cb 0.22 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1qcg h LEU 167 CO -0.00 0.46 -0.00 -0.07 -1.08 0.00 0.00 178.44 177.75 1qcg h LEU 168 N 0.77 -0.04 -0.07 1.67 3.38 -0.60 -0.24 115.31 120.17 1qcg h LEU 168 Ca 0.23 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1qcg h LEU 168 Cb -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1qcg h LEU 168 CO -0.07 -0.01 0.00 0.58 0.09 0.00 0.00 178.44 179.03 1qcg h VAL 169 N 0.03 1.24 -0.49 1.22 2.07 -1.20 -2.79 116.25 116.34 1qcg h VAL 169 Ca 0.04 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1qcg h VAL 169 Cb 0.05 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1qcg h VAL 169 CO -0.08 0.21 0.15 0.00 0.02 0.00 0.00 177.57 177.88 1qcg h ALA 170 N 0.73 0.64 -0.42 1.67 0.00 -0.90 -0.64 119.26 120.34 1qcg h ALA 170 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1qcg h ALA 170 Cb 0.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1qcg h ALA 170 CO 0.00 0.30 0.26 0.82 0.00 0.00 0.00 179.25 180.63 1qcg h ILE 171 N 0.66 1.13 -0.23 0.00 2.04 -1.10 -0.05 117.51 119.97 1qcg h ILE 171 Ca 0.16 -0.28 -0.15 0.00 1.00 0.00 0.00 64.86 65.58 1qcg h ILE 171 Cb 0.27 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1qcg h ILE 171 CO -0.01 0.13 -0.47 1.56 0.00 0.00 0.00 178.15 179.36 1qcg h GLN 172 N 0.56 0.61 0.00 2.37 4.20 -1.41 0.29 115.11 121.73 1qcg h GLN 172 Ca 0.15 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1qcg h GLN 172 Cb -0.02 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1qcg h GLN 172 CO -0.03 0.95 -0.36 -1.33 -0.67 0.00 0.00 178.83 177.39 1qcg n MET 173 N -4.00 0.28 -0.00 1.46 2.81 -0.26 -2.46 117.12 114.95 1qcg n MET 173 Ca -0.02 0.14 -0.01 0.00 -1.81 0.00 0.00 57.70 56.00 1qcg n MET 173 Cb 0.56 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1qcg n MET 173 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qcg n VAL 174 N -2.17 0.18 0.04 2.03 0.31 -0.04 -4.47 118.33 114.20 1qcg n VAL 174 Ca 0.04 0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.51 1qcg n VAL 174 Cb 0.43 -1.36 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 1qcg n VAL 174 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1qcg h SER 175 N -0.07 -0.06 -0.46 4.52 0.02 -0.62 -2.15 113.55 114.73 1qcg h SER 175 Ca 0.00 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.60 1qcg h SER 175 Cb 0.07 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1qcg h SER 175 CO 0.00 0.24 0.01 -0.33 -1.14 0.00 0.00 176.83 175.61 1qcg h GLU 176 N -0.37 0.87 -0.40 3.45 4.39 -1.35 -2.19 114.58 118.98 1qcg h GLU 176 Ca -0.01 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 1qcg h GLU 176 Cb 0.33 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1qcg h GLU 176 CO 0.01 0.86 -0.17 0.00 -1.16 0.00 0.00 179.01 178.55 1qcg h ALA 177 N 1.19 0.94 -0.61 3.43 0.00 -1.51 -0.87 119.26 121.84 1qcg h ALA 177 Ca 0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1qcg h ALA 177 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1qcg h ALA 177 CO 0.02 0.61 0.09 0.00 0.00 0.00 0.00 179.25 179.97 1qcg h ALA 178 N 1.13 0.81 -0.25 0.00 0.00 -1.13 -3.20 119.26 116.61 1qcg h ALA 178 Ca 0.10 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1qcg h ALA 178 Cb 0.66 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1qcg h ALA 178 CO 0.05 0.57 -0.23 0.00 0.00 0.00 0.00 179.25 179.64 1qcg h ARG 179 N 0.92 0.60 -5.17 0.00 3.08 -1.18 -3.36 114.38 109.27 1qcg h ARG 179 Ca 0.18 -0.31 -0.66 0.00 0.07 0.00 0.00 59.98 59.26 1qcg h ARG 179 Cb 0.44 0.01 -0.29 0.00 0.08 0.00 0.00 29.97 30.21 1qcg h ARG 179 CO 0.01 0.91 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.99 1qcg s PHE 180 N -4.37 2.84 0.22 3.04 0.08 -0.35 0.58 117.98 120.01 1qcg s PHE 180 Ca -0.13 -0.94 -0.08 0.00 0.12 0.00 0.00 56.93 55.90 1qcg s PHE 180 Cb 0.08 -1.93 0.16 0.00 -0.57 0.00 0.00 43.02 40.76 1qcg s PHE 180 CO 0.81 -0.44 1.79 0.87 -0.10 0.00 0.00 175.22 178.14 1qcg h LYS 181 N 7.39 1.20 -0.51 0.44 1.79 -0.58 -2.48 116.57 123.81 1qcg h LYS 181 Ca -0.34 -0.21 0.08 0.00 -2.18 0.00 0.00 60.65 58.00 1qcg h LYS 181 Cb 1.18 -0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.57 1qcg h LYS 181 CO 0.58 0.96 0.13 -0.92 -1.08 0.00 0.00 179.45 179.12 1qcg h TYR 182 N 1.17 0.21 -0.54 -1.35 3.20 -1.77 0.26 116.97 118.17 1qcg h TYR 182 Ca 0.27 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.08 1qcg h TYR 182 Cb 0.20 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1qcg h TYR 182 CO 0.02 0.02 -0.02 0.82 -1.64 0.00 0.00 178.16 177.37 1qcg h ILE 183 N 0.27 1.26 -0.32 1.81 2.04 -1.78 -0.85 117.51 119.94 1qcg h ILE 183 Ca 0.25 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1qcg h ILE 183 Cb 0.33 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1qcg h ILE 183 CO -0.31 0.40 0.17 -0.08 0.00 0.00 0.00 178.15 178.33 1qcg h GLU 184 N 0.85 0.45 -0.13 2.37 4.81 -0.91 -2.42 114.58 119.61 1qcg h GLU 184 Ca 0.16 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1qcg h GLU 184 Cb 0.53 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1qcg h GLU 184 CO 0.03 0.39 -0.05 -0.91 -0.73 0.00 0.00 179.01 177.74 1qcg h ASN 185 N 0.40 0.17 -0.44 1.04 2.35 -0.58 -0.87 115.58 117.64 1qcg h ASN 185 Ca 0.11 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 1qcg h ASN 185 Cb 0.07 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1qcg h ASN 185 CO -0.02 0.25 0.01 1.56 -1.65 0.00 0.00 177.43 177.59 1qcg h GLN 186 N 0.18 0.78 -0.48 0.81 1.08 -0.73 -1.48 115.11 115.27 1qcg h GLN 186 Ca 0.04 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 1qcg h GLN 186 Cb 0.21 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1qcg h GLN 186 CO 0.01 0.83 -0.02 0.28 -0.95 0.00 0.00 178.83 178.99 1qcg h VAL 187 N 0.62 1.26 -0.53 -0.54 2.07 -0.93 -2.70 116.25 115.50 1qcg h VAL 187 Ca 0.13 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1qcg h VAL 187 Cb 0.48 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1qcg h VAL 187 CO 0.02 0.38 0.06 0.11 0.02 0.00 0.00 177.57 178.16 1qcg h LYS 188 N 0.71 0.86 -0.30 1.57 1.57 -1.08 0.03 116.57 119.94 1qcg h LYS 188 Ca 0.13 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1qcg h LYS 188 Cb 0.53 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1qcg h LYS 188 CO 0.03 0.82 -0.15 1.15 -0.57 0.00 0.00 179.45 180.73 1qcg h THR 189 N 0.81 1.24 -0.49 -0.16 2.02 -1.16 -2.95 112.91 112.22 1qcg h THR 189 Ca 0.17 -1.08 -0.29 0.00 0.77 0.00 0.00 66.41 65.97 1qcg h THR 189 Cb 0.40 1.17 -0.18 0.00 -1.74 0.00 0.00 68.15 67.80 1qcg h THR 189 CO 0.01 0.35 -0.08 0.59 0.37 0.00 0.00 175.52 176.76 1qcg n ASN 190 N -4.18 3.32 -0.19 4.18 3.02 -1.03 -4.81 115.26 115.55 1qcg n ASN 190 Ca 0.00 -3.79 0.21 0.00 -0.03 0.00 0.00 54.58 50.98 1qcg n ASN 190 Cb 0.34 -0.63 0.58 0.00 -0.61 0.00 0.00 39.78 39.46 1qcg n ASN 190 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1qcg h PHE 191 N 1.26 0.35 -0.66 3.10 3.57 -0.81 -1.64 116.94 122.10 1qcg h PHE 191 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1qcg h PHE 191 Cb 1.61 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1qcg h PHE 191 CO 1.08 0.10 0.00 0.09 -2.23 0.00 0.00 178.31 177.35 1qcg n ASN 192 N -4.44 4.16 -3.37 0.41 4.13 -1.26 -4.50 115.26 110.40 1qcg n ASN 192 Ca 0.18 -2.18 -0.15 0.00 1.68 0.00 0.00 54.58 54.10 1qcg n ASN 192 Cb 0.74 -0.50 -0.05 0.00 -1.54 0.00 0.00 39.78 38.42 1qcg n ASN 192 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qcg s ARG 193 N -1.34 1.81 0.22 3.52 1.70 -0.62 -5.03 118.95 119.22 1qcg s ARG 193 Ca 0.48 -1.78 -0.06 0.00 -0.47 0.00 0.00 55.73 53.89 1qcg s ARG 193 Cb 0.27 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 35.00 1qcg s ARG 193 CO 0.28 -0.73 0.48 0.00 -1.08 0.00 0.00 175.30 174.26 1qcg s ALA 194 N -3.26 3.68 -0.03 7.88 0.00 -1.26 -4.53 121.76 124.25 1qcg s ALA 194 Ca 0.33 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.58 1qcg s ALA 194 Cb 0.01 -2.25 0.04 0.00 0.00 0.00 0.00 23.12 20.91 1qcg s ALA 194 CO 0.21 0.46 0.42 -0.59 0.00 0.00 0.00 175.76 176.26 1qcg s PHE 195 N -1.87 -0.33 -0.07 0.00 -0.71 -0.61 -4.96 117.98 109.43 1qcg s PHE 195 Ca 0.43 0.53 -0.23 0.00 -1.04 0.00 0.00 56.93 56.63 1qcg s PHE 195 Cb -0.11 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 1qcg s PHE 195 CO 0.26 -0.46 0.67 -0.80 -1.34 0.00 0.00 175.22 173.55 1qcg s ASN 196 N -1.28 6.94 0.08 1.98 -0.87 -1.26 -0.54 114.94 120.00 1qcg s ASN 196 Ca -0.13 1.13 -0.31 0.00 -1.57 0.00 0.00 52.86 51.99 1qcg s ASN 196 Cb -0.04 -2.39 -0.09 0.00 -0.02 0.00 0.00 41.25 38.71 1qcg s ASN 196 CO 0.06 -0.10 1.69 -2.16 -2.57 0.00 0.00 177.10 174.02 1qcg s PRO 197 N 0.76 4.18 1.05 -0.60 0.04 -1.26 -4.98 135.00 134.19 1qcg s PRO 197 Ca 0.36 2.39 -0.14 0.00 0.04 0.00 0.00 61.00 63.64 1qcg s PRO 197 Cb -0.17 -3.59 0.21 0.00 0.04 0.00 0.00 34.50 30.99 1qcg s PRO 197 CO 0.17 -0.75 1.11 0.54 0.04 0.00 0.00 177.00 178.11 1qcg s ASN 198 N 2.44 2.25 0.48 6.66 2.20 -1.26 -4.73 114.94 122.98 1qcg s ASN 198 Ca 0.75 0.97 0.15 0.00 -0.94 0.00 0.00 52.86 53.79 1qcg s ASN 198 Cb -0.41 -1.49 1.17 0.00 -2.00 0.00 0.00 41.25 38.52 1qcg s ASN 198 CO 0.33 -3.34 2.08 -0.65 -2.94 0.00 0.00 177.10 172.58 1qcg h PRO 199 N -2.04 0.18 -0.11 3.55 0.11 -1.80 -2.42 132.00 129.47 1qcg h PRO 199 Ca -0.52 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 1qcg h PRO 199 Cb 1.32 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qcg h PRO 199 CO 0.52 0.12 -0.68 -0.22 -0.21 0.00 0.00 178.00 177.53 1qcg h LYS 200 N 0.18 0.47 -0.37 1.05 3.64 -1.68 -1.30 116.57 118.56 1qcg h LYS 200 Ca 0.12 -0.35 -0.12 0.00 -1.27 0.00 0.00 60.65 59.03 1qcg h LYS 200 Cb 0.25 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1qcg h LYS 200 CO -0.02 0.98 -0.25 -0.39 -2.27 0.00 0.00 179.45 177.50 1qcg h VAL 201 N 0.33 1.28 -0.38 2.00 -1.51 -1.78 -1.83 116.25 114.36 1qcg h VAL 201 Ca -0.02 -1.40 -0.14 0.00 -1.23 0.00 0.00 66.70 63.91 1qcg h VAL 201 Cb 1.24 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 31.77 1qcg h VAL 201 CO 0.12 0.46 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.52 1qcg h LEU 202 N 0.61 0.91 -0.15 4.19 3.38 -1.49 -2.33 115.31 120.44 1qcg h LEU 202 Ca 0.07 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1qcg h LEU 202 Cb 0.81 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1qcg h LEU 202 CO 0.07 1.15 0.03 -1.13 0.09 0.00 0.00 178.44 178.65 1qcg h ASN 203 N 0.72 0.24 -0.75 -0.43 -1.24 -1.22 -1.99 115.58 110.91 1qcg h ASN 203 Ca 0.07 -0.24 0.11 0.00 0.71 0.00 0.00 56.30 56.95 1qcg h ASN 203 Cb 0.90 -0.06 -0.08 0.00 0.73 0.00 0.00 38.32 39.81 1qcg h ASN 203 CO 0.08 0.42 0.36 -0.07 -1.29 0.00 0.00 177.43 176.93 1qcg h LEU 204 N 0.04 0.44 -0.63 0.34 4.07 -1.29 0.77 115.31 119.05 1qcg h LEU 204 Ca 0.05 0.07 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1qcg h LEU 204 Cb 0.28 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1qcg h LEU 204 CO 0.00 0.23 0.38 1.56 -1.08 0.00 0.00 178.44 179.53 1qcg h GLN 205 N 0.58 0.86 0.00 1.13 4.20 -1.20 -1.87 115.11 118.81 1qcg h GLN 205 Ca 0.38 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1qcg h GLN 205 Cb 0.46 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1qcg h GLN 205 CO -0.31 0.62 0.00 0.39 -0.67 0.00 0.00 178.83 178.86 1qcg n GLU 206 N -4.59 0.19 -0.03 1.46 1.02 -0.54 -3.80 120.64 114.36 1qcg n GLU 206 Ca 0.05 0.17 0.01 0.00 -0.02 0.00 0.00 57.16 57.37 1qcg n GLU 206 Cb 0.06 -1.73 0.03 0.00 -0.02 0.00 0.00 31.44 29.78 1qcg n GLU 206 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1qcg n THR 207 N -2.06 1.07 -0.09 2.62 -2.24 0.15 -4.80 114.28 108.93 1qcg n THR 207 Ca 0.06 -1.09 -0.06 0.00 -2.27 0.00 0.00 64.05 60.69 1qcg n THR 207 Cb 0.40 0.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1qcg n THR 207 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1qcg h TRP 208 N 0.21 -0.37 -0.86 4.78 7.01 -1.44 0.15 115.95 125.43 1qcg h TRP 208 Ca 0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1qcg h TRP 208 Cb 0.56 0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.80 1qcg h TRP 208 CO 0.03 -0.23 0.44 0.78 -2.79 0.00 0.00 178.44 176.67 1qcg h GLY 209 N -0.09 1.31 0.86 2.65 0.00 -1.88 0.03 103.07 105.95 1qcg h GLY 209 Ca 0.17 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 1qcg h GLY 209 CO -0.40 0.60 -0.01 1.70 0.00 0.00 0.00 176.54 178.43 1qcg h LYS 210 N 1.22 -0.02 -0.48 4.80 3.64 -1.75 -0.65 116.57 123.33 1qcg h LYS 210 Ca 0.30 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.72 1qcg h LYS 210 Cb 0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 1qcg h LYS 210 CO -0.04 0.13 0.26 0.82 -2.27 0.00 0.00 179.45 178.34 1qcg h ILE 211 N -0.16 0.99 -0.62 2.00 2.04 -0.54 -0.01 117.51 121.21 1qcg h ILE 211 Ca -0.00 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1qcg h ILE 211 Cb 0.15 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1qcg h ILE 211 CO 0.00 0.09 0.26 0.28 0.00 0.00 0.00 178.15 178.79 1qcg h SER 212 N 0.51 0.84 -0.28 1.72 0.02 -0.79 -0.44 113.55 115.13 1qcg h SER 212 Ca 0.21 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1qcg h SER 212 Cb 0.09 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1qcg h SER 212 CO -0.13 0.77 -0.02 0.74 -1.14 0.00 0.00 176.83 177.05 1qcg h THR 213 N 0.86 1.26 -0.92 -2.27 2.02 -0.81 -1.17 112.91 111.88 1qcg h THR 213 Ca 0.21 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1qcg h THR 213 Cb 0.18 1.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 1qcg h THR 213 CO -0.02 0.31 0.61 0.00 0.37 0.00 0.00 175.52 176.79 1qcg h ALA 214 N 0.81 1.38 -0.18 6.16 0.00 -0.79 0.96 119.26 127.60 1qcg h ALA 214 Ca 0.08 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1qcg h ALA 214 Cb 0.46 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1qcg h ALA 214 CO 0.02 0.56 -0.60 0.82 0.00 0.00 0.00 179.25 180.05 1qcg h ILE 215 N 1.21 1.31 -0.58 0.00 2.04 -0.96 0.79 117.51 121.31 1qcg h ILE 215 Ca 0.35 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.37 1qcg h ILE 215 Cb -0.07 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1qcg h ILE 215 CO -0.09 0.57 0.32 -0.74 0.00 0.00 0.00 178.15 178.21 1qcg h HIS 216 N 0.43 0.81 0.00 1.37 2.76 -0.83 -2.92 115.15 116.76 1qcg h HIS 216 Ca -0.02 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1qcg h HIS 216 Cb 1.23 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.93 1qcg h HIS 216 CO 0.09 0.59 -0.10 -0.44 -1.30 0.00 0.00 177.93 176.77 1qcg h ASP 217 N 0.79 0.00 -2.29 3.26 3.32 -0.80 -3.41 116.42 117.29 1qcg h ASP 217 Ca 0.20 -0.02 -0.61 0.00 0.02 0.00 0.00 57.03 56.62 1qcg h ASP 217 Cb 0.05 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.68 1qcg h ASP 217 CO -0.03 0.01 0.48 0.00 -1.72 0.00 0.00 179.24 177.98 1qcg n ALA 218 N -1.90 0.25 -3.22 3.45 0.00 0.27 -4.69 120.51 114.66 1qcg n ALA 218 Ca 0.05 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 1qcg n ALA 218 Cb 0.47 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 1qcg n ALA 218 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qcg s LYS 219 N -0.24 3.54 -1.46 0.00 3.01 -0.24 -4.51 119.74 119.85 1qcg s LYS 219 Ca 0.72 -0.54 -0.10 0.00 -1.01 0.00 0.00 55.97 55.04 1qcg s LYS 219 Cb -0.75 -3.22 0.06 0.00 -1.01 0.00 0.00 37.83 32.91 1qcg s LYS 219 CO 0.50 -0.20 0.79 0.09 0.51 0.00 0.00 175.35 177.04 1qcg n ASN 220 N 4.88 -4.96 0.00 2.83 4.13 -1.26 -1.46 115.26 119.42 1qcg n ASN 220 Ca -0.17 -0.55 0.00 0.00 1.68 0.00 0.00 54.58 55.54 1qcg n ASN 220 Cb 0.51 -3.99 0.00 0.00 -1.54 0.00 0.00 39.78 34.76 1qcg n ASN 220 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qcg n GLY 221 N -1.55 1.85 3.65 7.41 0.00 -1.26 -5.02 105.19 110.28 1qcg n GLY 221 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1qcg n GLY 221 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qcg s VAL 222 N -2.87 5.26 0.35 1.61 1.01 -0.53 -0.81 120.40 124.42 1qcg s VAL 222 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 1qcg s VAL 222 Cb 0.00 -3.63 -0.10 0.00 0.00 0.00 0.00 36.38 32.65 1qcg s VAL 222 CO 0.00 0.27 1.36 -0.76 0.00 0.00 0.00 175.10 175.97 1qcg s LEU 223 N 1.37 4.37 0.29 3.92 1.02 -0.75 -1.08 118.68 127.82 1qcg s LEU 223 Ca 0.13 2.80 0.03 0.00 0.02 0.00 0.00 54.13 57.12 1qcg s LEU 223 Cb -0.15 -3.69 0.75 0.00 0.02 0.00 0.00 46.19 43.13 1qcg s LEU 223 CO 0.07 -0.68 1.65 -0.65 0.02 0.00 0.00 176.35 176.76 1qcg h PRO 224 N 3.18 0.21 -4.01 1.29 0.11 -1.84 -3.42 132.00 127.53 1qcg h PRO 224 Ca -0.50 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 1qcg h PRO 224 Cb 1.23 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 1qcg h PRO 224 CO 0.65 0.14 -0.64 0.15 -0.21 0.00 0.00 178.00 178.09 1qcg s LYS 225 N -5.90 0.50 0.23 1.05 1.02 -1.26 -5.12 119.74 110.25 1qcg s LYS 225 Ca -0.12 -0.86 -0.31 0.00 0.02 0.00 0.00 55.97 54.70 1qcg s LYS 225 Cb 0.26 0.18 -0.12 0.00 -0.52 0.00 0.00 37.83 37.64 1qcg s LYS 225 CO 0.77 -0.10 1.68 -2.14 -0.92 0.00 0.00 175.35 174.64 1qcg s PRO 226 N -2.64 4.13 -0.28 -1.68 0.02 -1.26 -4.94 135.00 128.35 1qcg s PRO 226 Ca -0.05 2.59 -0.09 0.00 0.02 0.00 0.00 61.00 63.46 1qcg s PRO 226 Cb -0.01 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 1qcg s PRO 226 CO -0.05 -0.72 0.13 -1.17 -0.33 0.00 0.00 177.00 174.87 1qcg s LEU 227 N 0.77 3.81 -0.23 -5.54 2.96 -0.57 -4.96 118.68 114.92 1qcg s LEU 227 Ca 0.72 -0.20 -0.22 0.00 -0.22 0.00 0.00 54.13 54.21 1qcg s LEU 227 Cb -0.49 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1qcg s LEU 227 CO 0.36 -0.08 0.70 -1.61 -1.32 0.00 0.00 176.35 174.40 1qcg s GLU 228 N 1.67 4.17 0.00 1.98 2.02 -1.26 -0.93 118.70 126.35 1qcg s GLU 228 Ca 0.06 0.70 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1qcg s GLU 228 Cb -0.16 -3.63 0.00 0.00 0.10 0.00 0.00 34.13 30.44 1qcg s GLU 228 CO 0.07 -0.40 0.00 1.28 0.02 0.00 0.00 175.26 176.23 1qcg n LEU 229 N 5.61 0.00 -3.76 1.80 4.77 0.88 -4.95 117.00 121.35 1qcg n LEU 229 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1qcg n LEU 229 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1qcg n LEU 229 CO 0.45 0.00 -0.19 0.54 -1.33 0.00 0.00 177.39 176.86 1qcg s VAL 230 N -0.75 -0.03 0.70 4.08 0.11 -1.26 -0.38 120.40 122.86 1qcg s VAL 230 Ca 0.00 0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.05 1qcg s VAL 230 Cb 0.00 -0.27 0.16 0.00 -1.53 0.00 0.00 36.38 34.74 1qcg s VAL 230 CO 0.00 0.05 0.95 -0.90 -3.33 0.00 0.00 175.10 171.87 1qcg n ASP 231 N 3.88 0.07 0.18 3.54 5.68 -0.37 -4.07 116.55 125.46 1qcg n ASP 231 Ca -0.22 -1.34 0.15 0.00 -0.50 0.00 0.00 54.79 52.88 1qcg n ASP 231 Cb 0.54 -0.73 0.76 0.00 -1.14 0.00 0.00 41.12 40.55 1qcg n ASP 231 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qcg h ALA 232 N -1.85 1.99 0.00 2.12 0.00 -1.91 -0.53 119.26 119.08 1qcg h ALA 232 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qcg h ALA 232 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qcg h ALA 232 CO 0.22 -0.27 -0.40 -1.13 0.00 0.00 0.00 179.25 177.67 1qcg n SER 233 N -4.13 0.46 0.00 0.00 3.41 -1.26 -4.09 113.62 108.01 1qcg n SER 233 Ca 0.02 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1qcg n SER 233 Cb 0.30 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1qcg n SER 233 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qcg n GLY 234 N 1.45 0.69 3.82 5.00 0.00 -0.22 -4.98 105.19 110.95 1qcg n GLY 234 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1qcg n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qcg s ALA 235 N -2.01 2.98 0.16 4.61 0.00 -1.26 -4.76 121.76 121.49 1qcg s ALA 235 Ca 0.00 0.44 -0.32 0.00 0.00 0.00 0.00 51.96 52.08 1qcg s ALA 235 Cb 0.00 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 1qcg s ALA 235 CO 0.00 -0.07 1.56 0.21 0.00 0.00 0.00 175.76 177.46 1qcg s LYS 236 N -3.32 4.22 -0.35 0.00 2.20 -1.26 -1.24 119.74 120.00 1qcg s LYS 236 Ca 0.63 2.34 0.02 0.00 -0.36 0.00 0.00 55.97 58.60 1qcg s LYS 236 Cb -0.11 -3.18 0.10 0.00 -1.51 0.00 0.00 37.83 33.13 1qcg s LYS 236 CO 0.18 -0.60 0.09 -0.46 -0.36 0.00 0.00 175.35 174.20 1qcg s TRP 237 N 1.19 2.81 -0.36 4.03 -0.00 0.49 -4.82 118.94 122.28 1qcg s TRP 237 Ca 0.70 -2.48 -0.24 0.00 -0.00 0.00 0.00 56.10 54.07 1qcg s TRP 237 Cb -0.43 -2.38 0.01 0.00 -0.00 0.00 0.00 33.47 30.67 1qcg s TRP 237 CO 0.31 -0.90 0.84 0.42 -0.00 0.00 0.00 176.95 177.62 1qcg s ILE 238 N 1.07 4.67 -0.11 5.86 -1.09 -1.26 -0.08 121.20 130.26 1qcg s ILE 238 Ca 0.11 1.02 -0.08 0.00 -2.23 0.00 0.00 60.65 59.48 1qcg s ILE 238 Cb -0.19 -4.26 -0.04 0.00 -1.58 0.00 0.00 42.46 36.39 1qcg s ILE 238 CO -0.14 -0.47 0.16 -0.69 -1.23 0.00 0.00 174.94 172.57 1qcg s VAL 239 N 3.25 5.48 -0.01 2.92 1.01 -0.10 -4.95 120.40 128.00 1qcg s VAL 239 Ca 0.34 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1qcg s VAL 239 Cb -0.13 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1qcg s VAL 239 CO 0.17 0.61 0.02 0.18 0.00 0.00 0.00 175.10 176.09 1qcg n LEU 240 N 2.01 0.00 -4.43 3.92 4.77 -1.26 -1.52 117.00 120.49 1qcg n LEU 240 Ca -0.20 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.54 1qcg n LEU 240 Cb 0.55 0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 1qcg n LEU 240 CO 0.32 0.02 -0.49 -0.13 -1.33 0.00 0.00 177.39 175.77 1qcg s ARG 241 N -2.07 1.56 0.25 3.23 0.52 -1.26 -1.81 118.95 119.38 1qcg s ARG 241 Ca -0.01 -1.65 -0.02 0.00 -0.52 0.00 0.00 55.73 53.53 1qcg s ARG 241 Cb 0.01 -1.69 0.32 0.00 0.52 0.00 0.00 34.95 34.11 1qcg s ARG 241 CO 0.06 0.33 1.75 -0.39 0.02 0.00 0.00 175.30 177.07 1qcg h VAL 242 N 2.64 1.24 0.00 3.52 -1.51 -1.34 -2.51 116.25 118.29 1qcg h VAL 242 Ca -0.42 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.03 1qcg h VAL 242 Cb 1.24 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1qcg h VAL 242 CO 0.56 0.36 0.00 0.44 -1.23 0.00 0.00 177.57 177.70 1qcg h ASP 243 N 0.75 0.00 1.20 4.19 3.32 -1.96 0.20 116.42 124.11 1qcg h ASP 243 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1qcg h ASP 243 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1qcg h ASP 243 CO 0.02 0.00 -0.45 -0.33 -1.72 0.00 0.00 179.24 176.76 1qcg h GLU 244 N 0.00 0.00 0.00 3.56 5.08 -1.84 -3.39 114.58 117.99 1qcg h GLU 244 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qcg h GLU 244 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1qcg h GLU 244 CO 0.00 0.00 -0.56 1.51 -1.00 0.00 0.00 179.01 178.96 1qcg n ILE 245 N -2.39 0.00 -0.05 3.13 0.13 -0.82 -4.78 119.36 114.57 1qcg n ILE 245 Ca 0.03 -0.07 0.06 0.00 -1.10 0.00 0.00 62.75 61.67 1qcg n ILE 245 Cb 0.47 0.49 0.43 0.00 -0.84 0.00 0.00 39.64 40.19 1qcg n ILE 245 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 1qcg h LYS 246 N 0.00 0.54 0.00 9.51 3.64 -1.18 -2.12 116.57 126.97 1qcg h LYS 246 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1qcg h LYS 246 Cb 0.00 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1qcg h LYS 246 CO 0.00 0.36 -0.03 -1.35 -2.27 0.00 0.00 179.45 176.16 1qcg h PRO 247 N 0.56 0.00 0.00 1.90 0.11 -1.83 -2.36 132.00 130.38 1qcg h PRO 247 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1qcg h PRO 247 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1qcg h PRO 247 CO -0.05 0.03 -0.45 -0.44 -0.21 0.00 0.00 178.00 176.88 1qcg h ASP 248 N 0.00 0.00 -3.38 -2.05 3.32 -1.74 -3.42 116.42 109.14 1qcg h ASP 248 Ca -0.00 -0.11 -0.62 0.00 0.02 0.00 0.00 57.03 56.33 1qcg h ASP 248 Cb 0.08 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.48 1qcg h ASP 248 CO 0.00 0.05 -0.54 -0.69 -1.72 0.00 0.00 179.24 176.35 1qcg s VAL 249 N -3.18 5.04 -0.21 -1.35 1.01 -0.89 0.05 120.40 120.87 1qcg s VAL 249 Ca 0.07 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 1qcg s VAL 249 Cb 0.12 -3.31 -0.19 0.00 0.00 0.00 0.00 36.38 33.00 1qcg s VAL 249 CO 0.69 0.42 0.02 0.00 0.00 0.00 0.00 175.10 176.23 1qcg n ALA 250 N 3.81 1.05 -2.72 5.51 0.00 0.20 -4.69 120.51 123.67 1qcg n ALA 250 Ca -0.16 -0.80 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 1qcg n ALA 250 Cb 0.52 -0.33 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 1qcg n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qcg s LEU 251 N -7.26 2.18 -0.06 0.00 1.43 -0.51 -4.23 118.68 110.23 1qcg s LEU 251 Ca -0.31 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 1qcg s LEU 251 Cb 0.09 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.84 1qcg s LEU 251 CO 0.62 -0.04 0.04 -0.76 0.23 0.00 0.00 176.35 176.44 1qcg s LEU 252 N -1.19 3.77 0.79 1.79 1.43 0.09 -4.84 118.68 120.53 1qcg s LEU 252 Ca -0.02 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1qcg s LEU 252 Cb -0.08 -1.98 0.07 0.00 0.03 0.00 0.00 46.19 44.24 1qcg s LEU 252 CO 0.01 0.35 1.15 0.21 0.23 0.00 0.00 176.35 178.30 1qcg s ASN 253 N -1.17 3.93 0.18 2.29 2.47 -1.26 -0.92 114.94 120.46 1qcg s ASN 253 Ca 0.16 2.15 -0.31 0.00 0.42 0.00 0.00 52.86 55.29 1qcg s ASN 253 Cb -0.12 -2.56 -0.10 0.00 -1.45 0.00 0.00 41.25 37.02 1qcg s ASN 253 CO 0.06 -2.43 1.49 -0.47 -3.72 0.00 0.00 177.10 172.03 1qcg s TYR 254 N -2.43 3.09 -0.06 0.43 5.04 -1.23 -4.51 117.35 117.67 1qcg s TYR 254 Ca 0.68 0.81 -0.02 0.00 -2.44 0.00 0.00 57.07 56.11 1qcg s TYR 254 Cb -0.24 -3.85 0.03 0.00 0.35 0.00 0.00 41.96 38.26 1qcg s TYR 254 CO 0.51 -2.99 0.02 0.08 -1.34 0.00 0.00 175.55 171.84 1qcg s VAL 255 N 0.78 0.21 0.52 3.14 1.01 -1.26 -5.01 120.40 119.79 1qcg s VAL 255 Ca 0.66 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 1qcg s VAL 255 Cb -0.42 -0.41 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1qcg s VAL 255 CO 0.35 0.23 1.19 -0.83 0.00 0.00 0.00 175.10 176.03 1qcg s GLY 256 N 2.04 2.75 0.00 4.51 0.00 -1.26 -4.90 107.32 110.45 1qcg s GLY 256 Ca 0.05 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.74 1qcg s GLY 256 CO -0.05 1.39 0.00 0.61 0.00 0.00 0.00 173.10 175.06 1qcg n GLY 257 N 0.42 1.87 3.88 0.20 0.00 -1.26 -5.04 105.19 105.26 1qcg n GLY 257 Ca 0.10 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1qcg n GLY 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qcg s SER 258 N 0.00 6.23 0.28 1.61 1.04 -1.26 -5.09 113.70 116.52 1qcg s SER 258 Ca 0.00 1.32 -0.15 0.00 0.48 0.00 0.00 55.95 57.60 1qcg s SER 258 Cb 0.00 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.71 1qcg s SER 258 CO 0.00 -0.81 0.59 0.00 0.98 0.00 0.00 173.24 174.00 1qcg s GLN 260 N -3.67 3.12 0.51 0.00 -0.44 -1.26 -4.85 119.66 113.06 1qcg s GLN 260 Ca 0.19 0.47 0.30 0.00 -2.50 0.00 0.00 55.36 53.82 1qcg s GLN 260 Cb -0.03 -4.20 1.11 0.00 -1.64 0.00 0.00 33.01 28.25 1qcg s GLN 260 CO 0.10 -2.16 1.89 1.79 0.50 0.00 0.00 175.29 177.41 1qcg h THR 261 N 6.49 0.15 -0.00 -0.34 1.35 -1.92 0.51 112.91 119.16 1qcg h THR 261 Ca -0.27 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1qcg h THR 261 Cb 1.11 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1qcg h THR 261 CO 1.19 0.06 0.00 0.35 -0.25 0.00 0.00 175.52 176.87