#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n GLN 2 N 0.00 1.17 -2.15 1.61 3.00 -1.26 -5.11 117.38 114.65 2qan n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qan n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2qan n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qan n LYS 3 N 0.00 -4.93 -2.22 -1.09 5.02 -1.26 -4.97 118.16 108.70 2qan n LYS 3 Ca 0.00 3.59 -0.32 0.00 -2.02 0.00 0.00 58.31 59.55 2qan n LYS 3 Cb 0.00 -4.25 -0.01 0.00 -0.02 0.00 0.00 35.03 30.75 2qan n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qan s VAL 4 N -0.53 4.22 -0.00 -0.18 0.11 -1.26 -4.98 120.40 117.78 2qan s VAL 4 Ca 0.00 1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.80 2qan s VAL 4 Cb 0.00 -3.57 -0.07 0.00 -1.53 0.00 0.00 36.38 31.21 2qan s VAL 4 CO 0.00 -0.62 1.65 -2.28 -3.33 0.00 0.00 175.10 170.52 2qan s HIS 5 N -2.57 2.16 0.06 1.54 2.46 -1.26 -4.93 115.29 112.74 2qan s HIS 5 Ca 0.61 0.25 -0.37 0.00 0.47 0.00 0.00 55.06 56.02 2qan s HIS 5 Cb -0.13 -3.93 -0.20 0.00 -0.13 0.00 0.00 32.58 28.19 2qan s HIS 5 CO 0.35 -3.85 1.55 -1.00 -2.47 0.00 0.00 174.74 169.32 2qan h PRO 6 N 9.05 -1.23 -0.28 2.88 0.13 -1.95 0.28 132.00 140.87 2qan h PRO 6 Ca -0.41 0.08 0.08 0.00 -0.87 0.00 0.00 66.00 64.88 2qan h PRO 6 Cb 1.19 0.28 -0.01 0.00 0.13 0.00 0.00 31.00 32.59 2qan h PRO 6 CO 0.94 -0.82 0.28 -0.97 -0.23 0.00 0.00 178.00 177.20 2qan h ASN 7 N -1.28 0.00 0.25 1.44 -1.24 -1.90 0.46 115.58 113.31 2qan h ASN 7 Ca -0.12 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.55 2qan h ASN 7 Cb 1.00 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.08 2qan h ASN 7 CO 0.18 0.00 -1.52 1.23 -1.29 0.00 0.00 177.43 176.03 2qan h GLY 8 N 0.00 0.59 1.41 1.57 0.00 -1.87 -2.40 103.07 102.37 2qan h GLY 8 Ca 0.13 -1.52 0.00 0.00 0.00 0.00 0.00 47.33 45.94 2qan h GLY 8 CO -0.00 1.33 0.00 4.51 0.00 0.00 0.00 176.54 182.38 2qan n ILE 9 N -3.71 0.14 -0.00 2.60 0.13 0.94 -2.66 119.36 116.81 2qan n ILE 9 Ca -0.18 0.04 0.00 0.00 -1.10 0.00 0.00 62.75 61.50 2qan n ILE 9 Cb 1.10 -0.62 0.00 0.00 -0.84 0.00 0.00 39.64 39.28 2qan n ILE 9 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2qan n ARG 10 N -1.20 2.37 0.27 9.51 1.74 -0.01 -4.71 116.66 124.62 2qan n ARG 10 Ca 0.14 -1.35 0.13 0.00 -0.77 0.00 0.00 57.85 56.01 2qan n ARG 10 Cb 0.17 -1.00 0.71 0.00 -1.02 0.00 0.00 32.46 31.31 2qan n ARG 10 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qan h LEU 11 N 0.02 0.00 0.02 0.55 3.38 -1.19 -2.37 115.31 115.72 2qan h LEU 11 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 2qan h LEU 11 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2qan h LEU 11 CO 0.00 0.00 -1.19 1.23 0.09 0.00 0.00 178.44 178.57 2qan h GLY 12 N 0.00 0.05 -2.48 0.83 0.00 -1.84 -3.43 103.07 96.19 2qan h GLY 12 Ca 0.00 -0.12 -0.47 0.00 0.00 0.00 0.00 47.33 46.74 2qan h GLY 12 CO 0.00 0.11 -0.73 -0.26 0.00 0.00 0.00 176.54 175.66 2qan s ILE 13 N -2.37 1.78 0.00 2.60 -0.00 -0.89 -4.77 121.20 117.55 2qan s ILE 13 Ca -0.26 -2.22 0.00 0.00 -0.00 0.00 0.00 60.65 58.17 2qan s ILE 13 Cb 0.05 -2.12 0.00 0.00 -0.00 0.00 0.00 42.46 40.39 2qan s ILE 13 CO 0.63 -0.54 0.00 1.33 -0.00 0.00 0.00 174.94 176.36 2qan n VAL 14 N -0.42 0.00 -3.66 8.37 0.24 -1.26 -4.73 118.33 116.86 2qan n VAL 14 Ca -0.07 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.04 2qan n VAL 14 Cb 0.61 -0.19 -0.17 0.00 -1.47 0.00 0.00 33.84 32.61 2qan n VAL 14 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qan s LYS 15 N -0.39 -0.02 0.54 7.34 3.01 -1.21 -4.85 119.74 124.15 2qan s LYS 15 Ca 0.00 0.42 -0.12 0.00 -1.01 0.00 0.00 55.97 55.27 2qan s LYS 15 Cb 0.00 -0.51 -0.05 0.00 -1.01 0.00 0.00 37.83 36.26 2qan s LYS 15 CO 0.00 -0.35 0.94 -1.25 0.51 0.00 0.00 175.35 175.20 2qan s PRO 16 N 2.22 3.71 0.65 -1.68 0.04 -1.26 -4.33 135.00 134.35 2qan s PRO 16 Ca 0.04 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 2qan s PRO 16 Cb -0.12 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.22 2qan s PRO 16 CO -0.05 -0.35 1.05 -1.58 0.04 0.00 0.00 177.00 176.11 2qan s TRP 17 N -2.84 3.20 -2.48 0.56 0.51 -1.26 -4.97 118.94 111.65 2qan s TRP 17 Ca 0.54 1.42 0.23 0.00 -2.12 0.00 0.00 56.10 56.17 2qan s TRP 17 Cb -0.10 -2.87 0.45 0.00 -0.81 0.00 0.00 33.47 30.13 2qan s TRP 17 CO 0.43 -1.06 1.41 0.09 -0.51 0.00 0.00 176.95 177.32 2qan n ASN 18 N -2.75 3.30 -2.79 2.95 4.13 -1.26 -4.64 115.26 114.21 2qan n ASN 18 Ca 0.07 -1.97 -0.05 0.00 1.68 0.00 0.00 54.58 54.31 2qan n ASN 18 Cb 0.53 -0.23 0.01 0.00 -1.54 0.00 0.00 39.78 38.55 2qan n ASN 18 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2qan n SER 19 N 1.40 -3.27 -4.42 6.41 7.64 -1.26 -1.85 113.62 118.28 2qan n SER 19 Ca 0.19 -2.94 -0.44 0.00 1.01 0.00 0.00 58.87 56.69 2qan n SER 19 Cb 0.58 1.66 -0.05 0.00 -1.01 0.00 0.00 64.21 65.40 2qan n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qan s THR 20 N 0.81 4.66 -0.27 0.44 -1.32 -1.18 -4.95 115.64 113.83 2qan s THR 20 Ca 0.30 -0.66 -0.22 0.00 -1.21 0.00 0.00 61.69 59.91 2qan s THR 20 Cb 0.03 -4.52 0.08 0.00 -1.51 0.00 0.00 72.50 66.58 2qan s THR 20 CO -0.08 -1.17 0.73 -1.66 -2.21 0.00 0.00 174.62 170.23 2qan s TRP 21 N 3.14 -0.87 0.62 9.09 1.48 -1.26 -4.30 118.94 126.84 2qan s TRP 21 Ca 0.16 1.96 -0.10 0.00 -1.06 0.00 0.00 56.10 57.05 2qan s TRP 21 Cb -0.21 0.41 -0.03 0.00 -1.16 0.00 0.00 33.47 32.48 2qan s TRP 21 CO 0.09 -0.43 1.01 0.12 -4.06 0.00 0.00 176.95 173.69 2qan s PHE 22 N 0.85 3.56 0.00 1.66 5.36 -1.26 -4.99 117.98 123.15 2qan s PHE 22 Ca -0.04 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 2qan s PHE 22 Cb -0.05 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.90 2qan s PHE 22 CO -0.07 -0.73 0.00 0.00 -1.46 0.00 0.00 175.22 172.96 2qan n ALA 23 N -2.73 0.00 -2.19 11.12 0.00 -1.26 -5.02 120.51 120.43 2qan n ALA 23 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.21 2qan n ALA 23 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 2qan n ALA 23 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qan s ASN 24 N 0.00 6.33 0.31 0.00 -0.87 -1.26 -4.75 114.94 114.71 2qan s ASN 24 Ca 0.00 1.06 0.08 0.00 -1.57 0.00 0.00 52.86 52.43 2qan s ASN 24 Cb 0.00 -2.30 0.91 0.00 -0.02 0.00 0.00 41.25 39.84 2qan s ASN 24 CO 0.00 -0.57 1.48 0.41 -2.57 0.00 0.00 177.10 175.85 2qan n THR 25 N -2.06 -0.40 0.13 1.60 -1.04 -1.26 -0.20 114.28 111.05 2qan n THR 25 Ca 0.02 2.02 -0.11 0.00 -2.04 0.00 0.00 64.05 63.94 2qan n THR 25 Cb 0.55 -3.06 -0.06 0.00 -1.82 0.00 0.00 70.33 65.93 2qan n THR 25 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 2qan h LYS 26 N 0.00 -0.54 -0.01 -2.82 2.10 -2.04 -3.21 116.57 110.04 2qan h LYS 26 Ca 0.65 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 2qan h LYS 26 Cb 1.51 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.96 2qan h LYS 26 CO -0.83 -0.36 -0.25 -0.85 -2.00 0.00 0.00 179.45 175.16 2qan n GLU 27 N -4.37 1.25 -0.37 0.07 -0.00 -0.97 -4.20 120.64 112.06 2qan n GLU 27 Ca -0.07 -0.87 0.04 0.00 -0.00 0.00 0.00 57.16 56.26 2qan n GLU 27 Cb 0.28 -1.48 0.19 0.00 -0.00 0.00 0.00 31.44 30.43 2qan n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2qan h PHE 28 N 2.12 1.19 0.55 -1.84 3.57 -0.58 0.23 116.94 122.18 2qan h PHE 28 Ca 0.00 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 2qan h PHE 28 Cb 0.63 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2qan h PHE 28 CO 0.00 0.58 -0.39 0.00 -2.23 0.00 0.00 178.31 176.27 2qan h ALA 29 N 1.48 -0.94 -0.06 2.41 0.00 -1.73 -2.76 119.26 117.65 2qan h ALA 29 Ca 0.45 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2qan h ALA 29 Cb 0.24 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2qan h ALA 29 CO -0.19 -1.05 -0.29 -0.44 0.00 0.00 0.00 179.25 177.27 2qan h ASP 30 N -0.91 0.11 -0.56 0.00 5.19 -1.73 -2.90 116.42 115.62 2qan h ASP 30 Ca -0.06 -0.03 0.12 0.00 -0.62 0.00 0.00 57.03 56.43 2qan h ASP 30 Cb 0.76 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.21 2qan h ASP 30 CO 0.03 0.41 0.38 0.78 -3.12 0.00 0.00 179.24 177.72 2qan h ASN 31 N 0.10 0.21 0.23 6.45 4.21 -0.27 -1.46 115.58 125.06 2qan h ASN 31 Ca 0.01 0.01 -0.29 0.00 1.21 0.00 0.00 56.30 57.24 2qan h ASN 31 Cb 0.57 -0.04 0.02 0.00 -1.12 0.00 0.00 38.32 37.76 2qan h ASN 31 CO 0.04 0.12 -1.25 -0.07 -1.29 0.00 0.00 177.43 174.99 2qan h LEU 32 N 0.23 0.78 -0.37 1.61 3.38 -1.36 -3.01 115.31 116.58 2qan h LEU 32 Ca 0.26 -0.74 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2qan h LEU 32 Cb 0.72 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2qan h LEU 32 CO -0.05 1.55 -0.10 -0.78 0.09 0.00 0.00 178.44 179.15 2qan h ASP 33 N 0.23 -0.37 -0.27 -0.43 -0.00 -1.31 0.12 116.42 114.39 2qan h ASP 33 Ca -0.18 0.12 -0.01 0.00 -0.00 0.00 0.00 57.03 56.95 2qan h ASP 33 Cb 1.92 0.24 -0.01 0.00 -0.00 0.00 0.00 39.33 41.48 2qan h ASP 33 CO 0.23 -0.13 0.11 0.77 -0.00 0.00 0.00 179.24 180.22 2qan h SER 34 N -0.01 0.37 -1.05 2.28 4.64 -1.59 0.58 113.55 118.77 2qan h SER 34 Ca 0.18 -0.16 0.28 0.00 -0.47 0.00 0.00 61.79 61.62 2qan h SER 34 Cb 0.29 -0.10 -0.09 0.00 -0.31 0.00 0.00 62.40 62.19 2qan h SER 34 CO -0.39 0.43 0.69 0.44 -0.87 0.00 0.00 176.83 177.13 2qan h ASP 35 N 0.29 0.37 0.01 4.97 5.19 -1.11 -0.37 116.42 125.78 2qan h ASP 35 Ca 0.09 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.57 2qan h ASP 35 Cb 0.17 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2qan h ASP 35 CO -0.01 0.07 -0.01 0.15 -3.12 0.00 0.00 179.24 176.33 2qan h PHE 36 N 0.33 -0.02 -0.69 4.55 3.57 0.33 -3.06 116.94 121.95 2qan h PHE 36 Ca 0.58 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 62.16 2qan h PHE 36 Cb 1.61 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 40.29 2qan h PHE 36 CO -0.00 0.72 0.36 0.87 -2.23 0.00 0.00 178.31 178.02 2qan h LYS 37 N -0.80 0.62 -0.46 1.11 1.57 0.52 -2.54 116.57 116.59 2qan h LYS 37 Ca -0.00 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2qan h LYS 37 Cb 0.74 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2qan h LYS 37 CO 0.00 0.41 -0.00 -0.39 -0.57 0.00 0.00 179.45 178.90 2qan h VAL 38 N 0.64 1.26 0.10 0.50 -1.51 -1.26 -3.02 116.25 112.96 2qan h VAL 38 Ca 0.32 -1.06 0.02 0.00 -1.23 0.00 0.00 66.70 64.75 2qan h VAL 38 Cb 0.28 1.03 -0.03 0.00 -2.13 0.00 0.00 31.29 30.44 2qan h VAL 38 CO -0.23 0.37 -0.20 0.03 -1.23 0.00 0.00 177.57 176.31 2qan h ARG 39 N 0.67 -0.37 -0.64 5.19 3.08 -1.35 0.22 114.38 121.18 2qan h ARG 39 Ca 0.13 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.22 2qan h ARG 39 Cb 0.50 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 2qan h ARG 39 CO 0.02 -0.24 0.41 -0.56 -1.07 0.00 0.00 179.97 178.53 2qan h GLN 40 N -0.38 0.79 -0.26 0.04 3.07 -1.55 0.17 115.11 116.98 2qan h GLN 40 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 2qan h GLN 40 Cb 0.41 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2qan h GLN 40 CO -0.12 0.52 0.12 1.88 0.09 0.00 0.00 178.83 181.32 2qan h TYR 41 N 0.82 0.38 0.00 0.06 0.05 -1.37 0.44 116.97 117.35 2qan h TYR 41 Ca 0.25 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 2qan h TYR 41 Cb -0.03 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 2qan h TYR 41 CO -0.04 0.37 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.32 2qan h LEU 42 N 0.28 0.00 0.16 3.88 -0.00 -0.10 -0.28 115.31 119.26 2qan h LEU 42 Ca 0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.62 2qan h LEU 42 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2qan h LEU 42 CO -0.01 0.05 -1.76 0.74 -0.00 0.00 0.00 178.44 177.47 2qan h THR 43 N 0.00 0.88 0.22 0.22 2.02 0.30 -3.18 112.91 113.37 2qan h THR 43 Ca -0.00 -2.46 -0.01 0.00 0.77 0.00 0.00 66.41 64.71 2qan h THR 43 Cb 0.20 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 2qan h THR 43 CO 0.01 0.84 -0.10 0.50 0.37 0.00 0.00 175.52 177.14 2qan h LYS 44 N 0.03 -0.28 0.00 6.66 3.64 0.19 -3.01 116.57 123.80 2qan h LYS 44 Ca -0.36 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2qan h LYS 44 Cb 2.03 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 2qan h LYS 44 CO 0.14 0.10 0.00 0.93 -2.27 0.00 0.00 179.45 178.35 2qan h GLU 45 N -0.77 0.00 -2.12 1.90 5.08 -1.25 -2.81 114.58 114.61 2qan h GLU 45 Ca -0.03 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.74 2qan h GLU 45 Cb 0.51 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.34 2qan h GLU 45 CO 0.05 0.00 -0.67 1.28 -1.00 0.00 0.00 179.01 178.67 2qan n LEU 46 N -2.67 4.47 0.00 1.33 7.99 -1.14 -4.95 117.00 122.02 2qan n LEU 46 Ca -0.02 -5.57 0.00 0.00 -0.01 0.00 0.00 56.01 50.41 2qan n LEU 46 Cb 0.06 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 2qan n LEU 46 CO 0.15 2.33 0.20 0.00 -1.51 0.00 0.00 177.39 178.56 2qan n ALA 47 N -0.29 0.00 0.73 -1.18 0.00 -1.06 -3.07 120.51 115.63 2qan n ALA 47 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2qan n ALA 47 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2qan n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qan n LYS 48 N -0.42 0.65 0.18 0.00 0.00 -1.26 -3.54 118.16 113.77 2qan n LYS 48 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 2qan n LYS 48 Cb 0.00 -1.29 0.54 0.00 -0.00 0.00 0.00 35.03 34.28 2qan n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qan h ALA 49 N 1.73 1.00 -5.80 0.58 0.00 -1.89 -3.47 119.26 111.41 2qan h ALA 49 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 2qan h ALA 49 Cb 0.29 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.22 2qan h ALA 49 CO 0.00 0.00 -0.69 0.43 0.00 0.00 0.00 179.25 178.99 2qan n SER 50 N -2.53 -5.79 -4.74 0.00 7.64 -1.23 -3.24 113.62 103.72 2qan n SER 50 Ca 0.02 -0.55 -0.40 0.00 1.01 0.00 0.00 58.87 58.95 2qan n SER 50 Cb 0.27 -5.03 -0.05 0.00 -1.01 0.00 0.00 64.21 58.40 2qan n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qan s VAL 51 N -3.32 4.65 -0.17 0.44 0.11 -1.26 -0.23 120.40 120.61 2qan s VAL 51 Ca 0.51 1.73 -0.15 0.00 -2.93 0.00 0.00 61.98 61.13 2qan s VAL 51 Cb -0.22 -4.16 -0.07 0.00 -1.53 0.00 0.00 36.38 30.40 2qan s VAL 51 CO 0.73 0.37 -0.32 -1.54 -3.33 0.00 0.00 175.10 171.01 2qan n SER 52 N 2.69 1.84 -3.91 3.54 3.41 0.12 -4.86 113.62 116.45 2qan n SER 52 Ca -0.02 0.31 -0.15 0.00 -0.26 0.00 0.00 58.87 58.75 2qan n SER 52 Cb 0.50 -0.71 0.02 0.00 -0.26 0.00 0.00 64.21 63.76 2qan n SER 52 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qan n ARG 53 N -4.31 0.85 -2.67 4.33 0.63 -1.23 -4.90 116.66 109.36 2qan n ARG 53 Ca -0.21 -2.17 -0.04 0.00 -0.92 0.00 0.00 57.85 54.51 2qan n ARG 53 Cb 0.55 0.05 0.07 0.00 0.45 0.00 0.00 32.46 33.57 2qan n ARG 53 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2qan n ILE 54 N -1.59 0.00 -1.15 5.15 3.06 -1.26 -3.43 119.36 120.14 2qan n ILE 54 Ca 0.05 -0.82 -0.36 0.00 -2.50 0.00 0.00 62.75 59.12 2qan n ILE 54 Cb 0.40 0.95 0.05 0.00 0.54 0.00 0.00 39.64 41.59 2qan n ILE 54 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2qan n VAL 55 N 0.04 0.75 -3.52 9.51 0.31 -0.91 -4.68 118.33 119.83 2qan n VAL 55 Ca -0.12 -0.42 -0.19 0.00 -0.01 0.00 0.00 64.34 63.60 2qan n VAL 55 Cb 0.72 -0.38 -0.14 0.00 -0.91 0.00 0.00 33.84 33.14 2qan n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qan s ILE 56 N -2.00 -0.29 -0.06 2.52 1.01 -0.77 -1.45 121.20 120.15 2qan s ILE 56 Ca 0.56 -0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 2qan s ILE 56 Cb -0.33 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2qan s ILE 56 CO 0.67 -0.20 -0.02 -1.61 0.00 0.00 0.00 174.94 173.79 2qan s GLU 57 N 2.30 2.88 -0.52 2.79 2.02 -1.26 -3.10 118.70 123.82 2qan s GLU 57 Ca 0.06 -0.48 0.03 0.00 0.02 0.00 0.00 54.97 54.60 2qan s GLU 57 Cb -0.16 -2.72 0.15 0.00 0.10 0.00 0.00 34.13 31.51 2qan s GLU 57 CO -0.11 0.68 0.34 1.03 0.02 0.00 0.00 175.26 177.21 2qan s ARG 58 N -1.00 1.61 0.00 1.61 0.52 -1.26 0.43 118.95 120.86 2qan s ARG 58 Ca 0.14 -2.47 0.00 0.00 -0.52 0.00 0.00 55.73 52.88 2qan s ARG 58 Cb -0.11 -2.55 0.00 0.00 0.52 0.00 0.00 34.95 32.81 2qan s ARG 58 CO 0.04 -1.24 0.00 -0.35 0.02 0.00 0.00 175.30 173.77 2qan n PRO 59 N 2.91 3.47 -1.79 3.54 -0.04 -0.99 -4.71 135.00 137.38 2qan n PRO 59 Ca 0.16 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 2qan n PRO 59 Cb 0.37 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.77 2qan n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qan s ALA 60 N -3.28 1.21 0.00 0.55 0.00 -1.26 -3.42 121.76 115.56 2qan s ALA 60 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2qan s ALA 60 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.57 2qan s ALA 60 CO 0.00 -5.31 0.00 1.63 0.00 0.00 0.00 175.76 172.08 2qan n LYS 61 N 8.86 -1.58 -3.87 0.00 4.76 -1.26 -4.91 118.16 120.16 2qan n LYS 61 Ca 0.42 0.32 -0.21 0.00 -2.87 0.00 0.00 58.31 55.97 2qan n LYS 61 Cb 0.46 -4.39 -0.04 0.00 -1.84 0.00 0.00 35.03 29.22 2qan n LYS 61 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qan s SER 62 N -1.63 5.38 0.04 4.39 1.04 -1.22 -3.46 113.70 118.24 2qan s SER 62 Ca 0.00 -0.42 0.06 0.00 0.48 0.00 0.00 55.95 56.07 2qan s SER 62 Cb 0.00 -1.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.01 2qan s SER 62 CO 0.00 -0.29 -0.18 -0.63 0.98 0.00 0.00 173.24 173.13 2qan s ILE 63 N -2.26 1.41 0.00 -1.02 1.01 -0.61 -2.34 121.20 117.39 2qan s ILE 63 Ca 0.39 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2qan s ILE 63 Cb -0.06 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.16 2qan s ILE 63 CO 0.26 0.10 0.00 -1.14 0.00 0.00 0.00 174.94 174.16 2qan n ARG 64 N 1.83 0.00 -2.44 2.79 3.00 0.17 -0.75 116.66 121.26 2qan n ARG 64 Ca -0.18 0.07 -0.03 0.00 -0.00 0.00 0.00 57.85 57.71 2qan n ARG 64 Cb 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.58 2qan n ARG 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qan n VAL 65 N -1.97 -7.71 -3.19 5.15 0.31 -1.25 -2.43 118.33 107.24 2qan n VAL 65 Ca 0.00 0.33 -0.43 0.00 -0.01 0.00 0.00 64.34 64.23 2qan n VAL 65 Cb 0.00 -6.05 -0.07 0.00 -0.91 0.00 0.00 33.84 26.81 2qan n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qan s THR 66 N -2.39 4.93 -0.07 2.52 2.01 -0.53 -2.51 115.64 119.59 2qan s THR 66 Ca 0.11 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.63 2qan s THR 66 Cb -0.03 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 2qan s THR 66 CO 0.50 -0.62 0.60 -0.63 -0.69 0.00 0.00 174.62 173.78 2qan s ILE 67 N 2.53 5.06 -0.87 1.82 1.01 -0.29 -2.15 121.20 128.32 2qan s ILE 67 Ca 0.16 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 62.01 2qan s ILE 67 Cb -0.17 -3.93 0.22 0.00 0.01 0.00 0.00 42.46 38.58 2qan s ILE 67 CO 0.15 0.32 0.76 -1.00 0.00 0.00 0.00 174.94 175.16 2qan s HIS 68 N 0.49 3.86 0.10 3.97 3.76 -1.22 0.84 115.29 127.10 2qan s HIS 68 Ca 0.32 -2.98 0.01 0.00 -0.15 0.00 0.00 55.06 52.27 2qan s HIS 68 Cb -0.17 -3.26 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 2qan s HIS 68 CO 0.15 -0.76 0.24 -0.08 -0.85 0.00 0.00 174.74 173.44 2qan s THR 69 N -1.20 5.32 -0.15 1.30 -1.32 -0.92 -0.71 115.64 117.96 2qan s THR 69 Ca 0.26 -0.55 0.15 0.00 -1.21 0.00 0.00 61.69 60.35 2qan s THR 69 Cb -0.09 -3.66 0.03 0.00 -1.51 0.00 0.00 72.50 67.27 2qan s THR 69 CO -0.11 0.03 1.34 0.00 -2.21 0.00 0.00 174.62 173.67 2qan h ALA 70 N 2.64 0.66 -3.03 11.08 0.00 -0.73 -3.35 119.26 126.53 2qan h ALA 70 Ca -0.47 -0.51 -0.62 0.00 0.00 0.00 0.00 54.91 53.31 2qan h ALA 70 Cb 1.18 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 2qan h ALA 70 CO 0.72 0.67 -0.61 1.03 0.00 0.00 0.00 179.25 181.05 2qan s ARG 71 N -2.96 2.29 0.30 0.00 1.81 -1.20 -4.84 118.95 114.34 2qan s ARG 71 Ca 0.03 -3.19 0.03 0.00 -1.72 0.00 0.00 55.73 50.88 2qan s ARG 71 Cb 0.08 -3.22 0.47 0.00 -0.45 0.00 0.00 34.95 31.83 2qan s ARG 71 CO 0.76 -1.29 1.77 -1.00 -0.68 0.00 0.00 175.30 174.86 2qan h PRO 72 N 5.48 0.48 -0.99 3.54 0.13 -1.84 -3.28 132.00 135.52 2qan h PRO 72 Ca 0.15 -0.16 0.12 0.00 -0.87 0.00 0.00 66.00 65.24 2qan h PRO 72 Cb 0.78 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.73 2qan h PRO 72 CO 0.68 0.65 -0.48 0.41 -0.23 0.00 0.00 178.00 179.02 2qan n GLY 73 N -0.51 -2.30 0.19 1.56 0.00 -1.26 0.04 105.19 102.90 2qan n GLY 73 Ca 0.00 1.14 -0.10 0.00 0.00 0.00 0.00 46.02 47.06 2qan n GLY 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qan h ILE 74 N 0.00 1.24 -0.66 -0.61 6.09 -1.94 -0.10 117.51 121.53 2qan h ILE 74 Ca 0.25 -0.85 0.14 0.00 -1.37 0.00 0.00 64.86 63.03 2qan h ILE 74 Cb 0.50 1.11 -0.04 0.00 0.47 0.00 0.00 36.82 38.85 2qan h ILE 74 CO -0.96 0.28 0.45 0.58 -3.07 0.00 0.00 178.15 175.43 2qan h VAL 75 N 0.43 0.81 0.01 2.19 2.07 -1.01 -2.77 116.25 117.97 2qan h VAL 75 Ca 0.11 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qan h VAL 75 Cb 0.36 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2qan h VAL 75 CO 0.01 0.06 -0.00 0.40 0.02 0.00 0.00 177.57 178.05 2qan h ILE 76 N 0.31 0.59 0.00 4.57 1.08 0.01 -1.20 117.51 122.87 2qan h ILE 76 Ca 0.32 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 2qan h ILE 76 Cb 0.81 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2qan h ILE 76 CO -0.08 0.20 0.00 0.61 -0.69 0.00 0.00 178.15 178.19 2qan n GLY 77 N 1.69 -2.15 3.56 5.37 0.00 -0.09 0.55 105.19 114.12 2qan n GLY 77 Ca -0.03 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2qan n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qan s LYS 78 N -0.19 2.46 -1.17 1.61 0.00 -1.26 -3.23 119.74 117.96 2qan s LYS 78 Ca 0.00 1.19 -0.06 0.00 0.00 0.00 0.00 55.97 57.10 2qan s LYS 78 Cb 0.00 -4.47 -0.02 0.00 0.00 0.00 0.00 37.83 33.34 2qan s LYS 78 CO 0.00 -2.88 0.85 1.63 0.00 0.00 0.00 175.35 174.95 2qan n LYS 79 N 9.00 -3.71 -1.19 1.78 5.02 -1.26 -2.17 118.16 125.63 2qan n LYS 79 Ca 0.29 0.72 -0.06 0.00 -2.02 0.00 0.00 58.31 57.24 2qan n LYS 79 Cb 0.52 -5.34 -0.03 0.00 -0.02 0.00 0.00 35.03 30.16 2qan n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qan n GLY 80 N -1.39 0.82 0.35 0.72 0.00 -1.20 -4.94 105.19 99.55 2qan n GLY 80 Ca -0.19 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 2qan n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qan h GLU 81 N 0.20 -0.85 -0.35 1.61 4.57 -0.84 -0.76 114.58 118.17 2qan h GLU 81 Ca -0.13 0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 2qan h GLU 81 Cb 0.62 0.19 -0.08 0.00 -0.16 0.00 0.00 28.75 29.32 2qan h GLU 81 CO 0.19 -0.56 -0.26 -0.44 -1.18 0.00 0.00 179.01 176.76 2qan h ASP 82 N -0.89 -0.86 0.13 1.04 3.32 -0.11 0.32 116.42 119.37 2qan h ASP 82 Ca -0.09 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2qan h ASP 82 Cb 0.67 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.59 2qan h ASP 82 CO 0.15 -0.28 -0.48 0.58 -1.72 0.00 0.00 179.24 177.49 2qan h VAL 83 N -0.22 0.07 -1.00 -1.35 2.07 -0.62 -1.32 116.25 113.88 2qan h VAL 83 Ca 0.17 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.91 2qan h VAL 83 Cb 0.48 0.07 -0.11 0.00 -1.52 0.00 0.00 31.29 30.21 2qan h VAL 83 CO -0.47 0.00 0.61 -0.08 0.02 0.00 0.00 177.57 177.64 2qan h GLU 84 N -0.72 0.66 0.21 1.57 4.22 -0.56 -1.01 114.58 118.94 2qan h GLU 84 Ca 0.01 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 2qan h GLU 84 Cb 0.73 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2qan h GLU 84 CO -0.26 0.44 -0.14 -0.22 -2.18 0.00 0.00 179.01 176.64 2qan h LYS 85 N 0.68 -0.33 0.14 1.92 3.64 0.13 -3.04 116.57 119.71 2qan h LYS 85 Ca 0.61 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 60.03 2qan h LYS 85 Cb 1.06 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2qan h LYS 85 CO -0.42 -0.22 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.22 2qan h LEU 86 N -0.35 -0.68 -0.99 5.20 3.38 -0.36 -3.00 115.31 118.52 2qan h LEU 86 Ca -0.01 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.22 2qan h LEU 86 Cb 0.30 0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.12 2qan h LEU 86 CO 0.01 -0.34 -0.26 -0.09 0.09 0.00 0.00 178.44 177.85 2qan h ARG 87 N -0.46 -0.00 0.23 1.13 2.43 -1.24 0.10 114.38 116.56 2qan h ARG 87 Ca 0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qan h ARG 87 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2qan h ARG 87 CO -0.12 -0.00 -0.18 -0.22 -1.51 0.00 0.00 179.97 177.94 2qan h LYS 88 N -0.00 -0.40 -0.31 0.20 3.11 -1.42 -1.57 116.57 116.18 2qan h LYS 88 Ca 0.46 0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.40 2qan h LYS 88 Cb 0.71 0.09 -0.07 0.00 -1.00 0.00 0.00 32.23 31.96 2qan h LYS 88 CO -1.01 -0.27 -0.15 0.28 -2.81 0.00 0.00 179.45 175.49 2qan h VAL 89 N -0.42 0.53 -0.07 2.00 2.07 -1.00 -1.46 116.25 117.91 2qan h VAL 89 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 2qan h VAL 89 Cb 0.37 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2qan h VAL 89 CO -0.01 0.00 -0.27 0.58 0.02 0.00 0.00 177.57 177.88 2qan h VAL 90 N -0.11 0.37 -0.92 2.57 2.07 -0.98 0.58 116.25 119.84 2qan h VAL 90 Ca 0.16 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.87 2qan h VAL 90 Cb 0.35 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 2qan h VAL 90 CO -0.38 0.00 0.59 0.00 0.02 0.00 0.00 177.57 177.81 2qan h ALA 91 N 0.48 2.02 0.08 1.67 0.00 -0.74 0.28 119.26 123.04 2qan h ALA 91 Ca 0.08 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 2qan h ALA 91 Cb 0.50 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.25 2qan h ALA 91 CO -0.29 -0.31 -0.82 0.22 0.00 0.00 0.00 179.25 178.05 2qan h ASP 92 N 0.54 0.59 0.19 0.00 1.82 -0.14 0.33 116.42 119.76 2qan h ASP 92 Ca 0.48 -0.84 -0.03 0.00 -0.39 0.00 0.00 57.03 56.25 2qan h ASP 92 Cb 1.01 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.83 2qan h ASP 92 CO -0.22 1.37 -0.16 0.40 -1.61 0.00 0.00 179.24 179.03 2qan h ILE 93 N -0.10 1.02 0.00 2.25 2.04 0.14 -2.40 117.51 120.45 2qan h ILE 93 Ca -0.12 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2qan h ILE 93 Cb 1.57 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2qan h ILE 93 CO 0.16 0.16 -1.07 0.00 0.00 0.00 0.00 178.15 177.40 2qan n ALA 94 N -2.47 4.27 -1.95 1.87 0.00 0.86 -4.91 120.51 118.18 2qan n ALA 94 Ca -0.02 -0.54 -0.12 0.00 0.00 0.00 0.00 53.44 52.76 2qan n ALA 94 Cb 0.23 -0.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2qan n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qan n GLY 95 N 1.44 0.33 3.45 0.00 0.00 0.93 -5.00 105.19 106.34 2qan n GLY 95 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 2qan n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qan s VAL 96 N -2.55 0.04 -0.56 1.61 -7.23 0.18 -5.00 120.40 106.90 2qan s VAL 96 Ca 0.00 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.92 2qan s VAL 96 Cb 0.00 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 35.21 2qan s VAL 96 CO 0.00 -0.20 2.37 -2.16 -0.31 0.00 0.00 175.10 174.80 2qan s PRO 97 N -3.90 2.04 -0.02 4.82 0.04 -1.23 -4.17 135.00 132.58 2qan s PRO 97 Ca 0.12 1.16 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 2qan s PRO 97 Cb 0.01 -4.62 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 2qan s PRO 97 CO -0.02 -3.47 0.18 0.00 0.04 0.00 0.00 177.00 173.73 2qan s ALA 98 N 12.48 3.94 0.30 8.56 0.00 -1.26 -1.57 121.76 144.21 2qan s ALA 98 Ca 0.94 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2qan s ALA 98 Cb -0.16 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2qan s ALA 98 CO 0.22 0.73 0.01 1.04 0.00 0.00 0.00 175.76 177.76 2qan n GLN 99 N 1.09 1.27 -3.28 0.00 3.00 0.07 -4.63 117.38 114.91 2qan n GLN 99 Ca -0.12 -2.16 0.03 0.00 -0.01 0.00 0.00 57.00 54.74 2qan n GLN 99 Cb 0.53 0.56 -0.02 0.00 0.00 0.00 0.00 30.24 31.31 2qan n GLN 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2qan s ILE 100 N -2.05 -0.61 0.05 5.09 2.07 -1.02 -4.29 121.20 120.44 2qan s ILE 100 Ca 0.01 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.29 2qan s ILE 100 Cb -0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2qan s ILE 100 CO 0.01 0.00 -0.05 0.20 -1.91 0.00 0.00 174.94 173.18 2qan s ASN 101 N 2.76 4.72 -0.01 4.50 0.01 -1.05 -5.01 114.94 120.87 2qan s ASN 101 Ca 0.03 -0.20 -0.05 0.00 -0.71 0.00 0.00 52.86 51.93 2qan s ASN 101 Cb -0.10 -1.08 -0.04 0.00 0.41 0.00 0.00 41.25 40.44 2qan s ASN 101 CO -0.16 0.23 0.23 -0.63 -1.51 0.00 0.00 177.10 175.25 2qan s ILE 102 N -1.14 5.37 -0.06 0.60 1.09 -1.26 -1.13 121.20 124.67 2qan s ILE 102 Ca 0.21 0.05 0.03 0.00 -1.10 0.00 0.00 60.65 59.84 2qan s ILE 102 Cb -0.11 -3.54 0.01 0.00 -1.06 0.00 0.00 42.46 37.75 2qan s ILE 102 CO 0.12 0.37 -0.14 0.00 -0.10 0.00 0.00 174.94 175.20 2qan s ALA 103 N -1.28 1.32 1.00 9.38 0.00 0.25 -4.90 121.76 127.52 2qan s ALA 103 Ca 0.26 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2qan s ALA 103 Cb -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.46 2qan s ALA 103 CO 0.16 0.17 0.00 -1.91 0.00 0.00 0.00 175.76 174.18 2qan n GLU 104 N 3.56 0.42 -3.72 0.00 2.13 -1.26 -2.17 120.64 119.60 2qan n GLU 104 Ca -0.21 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.48 2qan n GLU 104 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 2qan n GLU 104 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2qan s VAL 105 N -0.29 -0.09 -1.25 6.31 -7.23 -1.26 -4.43 120.40 112.16 2qan s VAL 105 Ca 0.00 0.18 -0.19 0.00 -1.81 0.00 0.00 61.98 60.16 2qan s VAL 105 Cb 0.00 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.58 2qan s VAL 105 CO 0.00 0.07 1.89 -2.11 -0.31 0.00 0.00 175.10 174.64 2qan n ARG 106 N 4.38 2.57 -1.97 4.82 0.00 -1.26 -4.62 116.66 120.57 2qan n ARG 106 Ca -0.23 -2.82 0.00 0.00 -0.00 0.00 0.00 57.85 54.80 2qan n ARG 106 Cb 0.52 -3.47 0.00 0.00 -0.00 0.00 0.00 32.46 29.52 2qan n ARG 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qan n LYS 107 N 7.84 -4.42 -0.08 2.89 5.02 -1.26 -4.64 118.16 123.50 2qan n LYS 107 Ca 0.49 3.26 -0.04 0.00 -2.02 0.00 0.00 58.31 60.00 2qan n LYS 107 Cb 0.44 -3.78 0.17 0.00 -0.02 0.00 0.00 35.03 31.85 2qan n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2qan h PRO 108 N 3.52 0.73 0.00 1.97 0.13 -1.96 -2.59 132.00 133.81 2qan h PRO 108 Ca 0.00 -0.21 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2qan h PRO 108 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 2qan h PRO 108 CO 0.00 0.77 0.05 0.39 -0.23 0.00 0.00 178.00 178.99 2qan n GLU 109 N -4.20 0.00 0.00 0.86 4.71 -1.26 -0.64 120.64 120.11 2qan n GLU 109 Ca 0.02 0.27 0.04 0.00 -0.01 0.00 0.00 57.16 57.48 2qan n GLU 109 Cb 0.32 -1.55 -0.02 0.00 -1.01 0.00 0.00 31.44 29.17 2qan n GLU 109 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2qan n LEU 110 N -1.24 0.66 -4.75 -4.62 4.77 -0.98 -3.57 117.00 107.27 2qan n LEU 110 Ca 0.00 -0.62 -0.39 0.00 -0.03 0.00 0.00 56.01 54.98 2qan n LEU 110 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 2qan n LEU 110 CO 0.00 0.14 0.28 -0.62 -1.33 0.00 0.00 177.39 175.86 2qan s ASP 111 N -1.46 6.92 0.00 -1.43 2.15 0.19 -4.98 116.67 118.05 2qan s ASP 111 Ca 0.04 1.10 0.00 0.00 0.43 0.00 0.00 52.55 54.12 2qan s ASP 111 Cb 0.06 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.33 2qan s ASP 111 CO 0.26 0.06 0.40 0.00 -0.17 0.00 0.00 175.17 175.72 2qan n ALA 112 N 3.02 0.00 -0.22 3.66 0.00 -1.26 -1.39 120.51 124.32 2qan n ALA 112 Ca -0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2qan n ALA 112 Cb 0.51 0.05 0.08 0.00 0.00 0.00 0.00 19.45 20.10 2qan n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qan n LYS 113 N -0.50 -0.06 0.22 0.00 3.00 -1.26 -0.61 118.16 118.94 2qan n LYS 113 Ca 0.00 0.95 -0.10 0.00 -0.00 0.00 0.00 58.31 59.16 2qan n LYS 113 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 35.03 33.56 2qan n LYS 113 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2qan h LEU 114 N 0.00 -0.66 -1.53 3.14 3.38 -1.87 0.65 115.31 118.43 2qan h LEU 114 Ca 0.29 0.04 0.33 0.00 0.09 0.00 0.00 57.88 58.63 2qan h LEU 114 Cb 0.44 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.30 2qan h LEU 114 CO -0.63 -0.39 0.77 0.58 0.09 0.00 0.00 178.44 178.86 2qan h VAL 115 N -0.61 0.40 0.01 1.22 2.07 0.38 0.12 116.25 119.84 2qan h VAL 115 Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qan h VAL 115 Cb 0.50 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2qan h VAL 115 CO 0.04 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 2qan h ALA 116 N 1.56 -0.26 -1.00 1.67 0.00 -0.65 -1.17 119.26 119.41 2qan h ALA 116 Ca 0.64 -0.00 0.40 0.00 0.00 0.00 0.00 54.91 55.95 2qan h ALA 116 Cb 1.95 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 19.58 2qan h ALA 116 CO -0.25 -0.26 0.54 -0.44 0.00 0.00 0.00 179.25 178.84 2qan h ASP 117 N -0.06 0.33 0.40 0.00 3.45 0.69 -0.28 116.42 120.96 2qan h ASP 117 Ca -0.00 0.25 -0.02 0.00 0.43 0.00 0.00 57.03 57.69 2qan h ASP 117 Cb 0.02 0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.04 2qan h ASP 117 CO 0.00 -0.40 -0.19 0.77 -1.57 0.00 0.00 179.24 177.85 2qan h SER 118 N 0.04 -0.46 -1.25 6.45 4.64 -0.88 -2.54 113.55 119.57 2qan h SER 118 Ca 0.83 0.02 0.36 0.00 -0.47 0.00 0.00 61.79 62.53 2qan h SER 118 Cb 2.16 0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 64.29 2qan h SER 118 CO -0.75 -0.11 0.87 -0.29 -0.87 0.00 0.00 176.83 175.68 2qan h ILE 119 N -0.98 0.36 -0.05 0.95 2.10 0.18 0.34 117.51 120.41 2qan h ILE 119 Ca -0.06 -0.03 -0.16 0.00 1.08 0.00 0.00 64.86 65.69 2qan h ILE 119 Cb 0.41 0.25 0.01 0.00 -1.09 0.00 0.00 36.82 36.41 2qan h ILE 119 CO 0.09 0.02 -0.61 0.71 -1.08 0.00 0.00 178.15 177.28 2qan h THR 120 N 0.10 1.38 -0.70 2.19 1.35 -1.15 -3.26 112.91 112.82 2qan h THR 120 Ca 0.64 -1.99 0.10 0.00 -0.55 0.00 0.00 66.41 64.61 2qan h THR 120 Cb 2.28 2.40 -0.08 0.00 -1.73 0.00 0.00 68.15 71.02 2qan h THR 120 CO -0.12 0.59 0.32 0.28 -0.25 0.00 0.00 175.52 176.34 2qan h SER 121 N 0.05 0.38 -0.87 5.36 0.02 0.11 -1.00 113.55 117.60 2qan h SER 121 Ca -0.06 0.07 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 2qan h SER 121 Cb 1.29 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.74 2qan h SER 121 CO 0.12 0.21 0.46 1.56 -1.14 0.00 0.00 176.83 178.04 2qan h GLN 122 N 0.54 0.61 -0.05 3.45 4.20 -1.44 -1.48 115.11 120.94 2qan h GLN 122 Ca 0.35 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.06 2qan h GLN 122 Cb 0.42 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.02 2qan h GLN 122 CO -0.30 0.40 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.00 2qan h LEU 123 N 0.63 -0.59 -2.24 1.46 3.38 -1.24 0.73 115.31 117.44 2qan h LEU 123 Ca 0.48 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.59 2qan h LEU 123 Cb 0.71 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2qan h LEU 123 CO -0.38 -0.26 0.23 -0.33 0.09 0.00 0.00 178.44 177.80 2qan h GLU 124 N -0.29 0.00 -0.06 1.13 5.08 -1.21 0.48 114.58 119.72 2qan h GLU 124 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qan h GLU 124 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2qan h GLU 124 CO -0.22 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.66 2qan n ARG 125 N -3.59 1.18 -3.03 2.33 0.63 0.23 -4.88 116.66 109.52 2qan n ARG 125 Ca 0.01 -0.28 -0.16 0.00 -0.92 0.00 0.00 57.85 56.51 2qan n ARG 125 Cb 0.34 -1.20 0.04 0.00 0.45 0.00 0.00 32.46 32.09 2qan n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qan n ARG 126 N -0.41 -4.52 -3.67 -0.14 5.12 0.17 -5.02 116.66 108.20 2qan n ARG 126 Ca 0.09 0.60 -0.33 0.00 -1.93 0.00 0.00 57.85 56.28 2qan n ARG 126 Cb 0.10 -4.86 -0.05 0.00 -1.16 0.00 0.00 32.46 26.49 2qan n ARG 126 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qan s VAL 127 N -3.11 5.17 -0.32 1.55 -7.23 -1.09 -4.98 120.40 110.39 2qan s VAL 127 Ca 0.31 0.14 -0.35 0.00 -1.81 0.00 0.00 61.98 60.27 2qan s VAL 127 Cb -0.14 -3.62 -0.11 0.00 0.56 0.00 0.00 36.38 33.07 2qan s VAL 127 CO 0.39 0.14 2.16 0.23 -0.31 0.00 0.00 175.10 177.71 2qan n MET 128 N 0.41 1.21 -0.30 4.82 0.00 -1.26 -4.64 117.12 117.36 2qan n MET 128 Ca -0.05 0.34 0.14 0.00 0.00 0.00 0.00 57.70 58.14 2qan n MET 128 Cb 0.52 -2.52 0.31 0.00 0.00 0.00 0.00 33.22 31.53 2qan n MET 128 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2qan h PHE 129 N 12.25 0.40 -0.38 2.03 -0.00 -1.95 0.77 116.94 130.07 2qan h PHE 129 Ca -0.30 0.05 0.01 0.00 -0.00 0.00 0.00 57.97 57.73 2qan h PHE 129 Cb 1.31 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 37.20 2qan h PHE 129 CO 0.94 -0.22 0.23 -0.09 -0.00 0.00 0.00 178.31 179.18 2qan h ARG 130 N 0.21 0.45 -0.31 6.09 9.65 -2.01 -2.99 114.38 125.46 2qan h ARG 130 Ca 0.57 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.49 2qan h ARG 130 Cb 1.18 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.61 2qan h ARG 130 CO -0.66 0.30 -0.06 -0.09 2.80 0.00 0.00 179.97 182.25 2qan h ARG 131 N 0.46 0.02 -0.50 0.20 9.65 -1.21 -2.37 114.38 120.63 2qan h ARG 131 Ca 0.15 -0.00 0.09 0.00 -1.10 0.00 0.00 59.98 59.11 2qan h ARG 131 Cb -0.00 -0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 28.50 2qan h ARG 131 CO -0.06 0.01 0.09 0.00 2.80 0.00 0.00 179.97 182.80 2qan h ALA 132 N 1.30 0.55 -0.31 2.80 0.00 -1.37 0.87 119.26 123.10 2qan h ALA 132 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qan h ALA 132 Cb 0.22 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qan h ALA 132 CO -0.30 -0.32 0.00 -1.33 0.00 0.00 0.00 179.25 177.30 2qan n MET 133 N -5.13 0.00 -0.28 0.00 2.81 -0.91 -0.87 117.12 112.75 2qan n MET 133 Ca 0.06 0.76 0.04 0.00 -1.81 0.00 0.00 57.70 56.75 2qan n MET 133 Cb 0.25 -1.45 0.18 0.00 -0.71 0.00 0.00 33.22 31.49 2qan n MET 133 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qan h LYS 134 N 0.00 0.64 -0.03 0.03 3.64 -1.39 -1.62 116.57 117.84 2qan h LYS 134 Ca 0.00 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2qan h LYS 134 Cb 0.00 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 31.63 2qan h LYS 134 CO 0.00 0.42 -0.20 -0.09 -2.27 0.00 0.00 179.45 177.31 2qan h ARG 135 N 0.66 -0.29 -0.78 1.90 9.65 -0.46 0.19 114.38 125.24 2qan h ARG 135 Ca 0.41 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.30 2qan h ARG 135 Cb 0.50 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.11 2qan h ARG 135 CO -0.31 -0.19 0.42 0.00 2.80 0.00 0.00 179.97 182.69 2qan h ALA 136 N 0.62 1.00 0.87 2.80 0.00 -0.56 -2.98 119.26 121.00 2qan h ALA 136 Ca 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2qan h ALA 136 Cb 0.40 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2qan h ALA 136 CO -0.21 0.52 -0.42 0.28 0.00 0.00 0.00 179.25 179.43 2qan h VAL 137 N 1.09 0.10 -0.99 0.00 2.07 -0.74 -2.46 116.25 115.32 2qan h VAL 137 Ca 0.27 -0.07 0.17 0.00 0.82 0.00 0.00 66.70 67.90 2qan h VAL 137 Cb 0.04 0.11 -0.17 0.00 -1.52 0.00 0.00 31.29 29.75 2qan h VAL 137 CO -0.04 0.00 -0.35 -0.61 0.02 0.00 0.00 177.57 176.59 2qan h GLN 138 N -1.22 -0.00 0.68 1.57 5.75 -0.59 -0.04 115.11 121.26 2qan h GLN 138 Ca -0.12 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 2qan h GLN 138 Cb 0.90 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.45 2qan h GLN 138 CO 0.20 -0.00 -0.33 -0.91 -2.65 0.00 0.00 178.83 175.13 2qan h ASN 139 N -0.00 -0.79 -0.59 -0.69 -0.26 -1.49 -1.18 115.58 110.57 2qan h ASN 139 Ca 0.39 0.03 0.12 0.00 -0.56 0.00 0.00 56.30 56.27 2qan h ASN 139 Cb 0.64 0.21 -0.10 0.00 -1.06 0.00 0.00 38.32 38.01 2qan h ASN 139 CO -1.00 -0.56 0.04 0.00 -1.06 0.00 0.00 177.43 174.85 2qan h ALA 140 N -0.60 0.62 0.00 -0.83 0.00 -0.75 0.55 119.26 118.24 2qan h ALA 140 Ca -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qan h ALA 140 Cb 0.71 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qan h ALA 140 CO 0.15 -0.37 -0.18 1.98 0.00 0.00 0.00 179.25 180.83 2qan h MET 141 N 0.16 0.00 0.04 0.00 -1.53 -0.97 -2.99 114.93 109.65 2qan h MET 141 Ca 0.31 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.42 2qan h MET 141 Cb 0.49 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.53 2qan h MET 141 CO -0.47 0.18 -0.79 -0.09 0.14 0.00 0.00 176.91 175.88 2qan h ARG 142 N 0.00 0.09 0.00 0.39 2.43 0.66 -3.31 114.38 114.64 2qan h ARG 142 Ca -0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2qan h ARG 142 Cb 0.45 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qan h ARG 142 CO 0.02 1.07 0.00 1.28 -1.51 0.00 0.00 179.97 180.84 2qan n LEU 143 N -4.34 0.00 0.00 3.80 7.99 0.16 -4.92 117.00 119.69 2qan n LEU 143 Ca -0.20 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 2qan n LEU 143 Cb 0.67 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 2qan n LEU 143 CO 0.33 -0.01 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 2qan n GLY 144 N -0.36 0.44 1.42 -0.72 0.00 -1.13 -5.04 105.19 99.80 2qan n GLY 144 Ca 0.07 -1.30 0.17 0.00 0.00 0.00 0.00 46.02 44.97 2qan n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan n ALA 145 N -1.00 -3.73 -0.11 4.61 0.00 -1.26 -4.14 120.51 114.88 2qan n ALA 145 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.27 2qan n ALA 145 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2qan n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qan n LYS 146 N -4.28 -0.03 -3.62 0.00 5.02 0.13 -4.91 118.16 110.46 2qan n LYS 146 Ca -0.07 -0.38 -0.07 0.00 -2.02 0.00 0.00 58.31 55.76 2qan n LYS 146 Cb 0.67 -0.88 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 2qan n LYS 146 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qan s GLY 147 N -0.11 -0.04 -0.03 0.72 0.00 -0.38 -2.45 107.32 105.04 2qan s GLY 147 Ca 0.00 2.68 -0.17 0.00 0.00 0.00 0.00 44.72 47.24 2qan s GLY 147 CO 0.00 1.47 0.36 -1.50 0.00 0.00 0.00 173.10 173.43 2qan s ILE 148 N -0.46 0.05 -0.25 0.90 2.07 0.32 1.00 121.20 124.82 2qan s ILE 148 Ca 0.04 -0.37 -0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2qan s ILE 148 Cb -0.03 -0.65 0.12 0.00 0.13 0.00 0.00 42.46 42.03 2qan s ILE 148 CO -0.06 -0.21 0.30 -0.75 -1.91 0.00 0.00 174.94 172.31 2qan s LYS 149 N -1.17 0.29 0.11 3.50 2.20 0.16 -1.29 119.74 123.54 2qan s LYS 149 Ca -0.12 0.15 -0.11 0.00 -0.36 0.00 0.00 55.97 55.53 2qan s LYS 149 Cb -0.04 -0.78 -0.06 0.00 -1.51 0.00 0.00 37.83 35.43 2qan s LYS 149 CO 0.05 -0.81 0.45 0.08 -0.36 0.00 0.00 175.35 174.76 2qan s VAL 150 N 2.40 5.02 -0.20 4.02 1.01 -1.14 -0.93 120.40 130.59 2qan s VAL 150 Ca 0.09 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 2qan s VAL 150 Cb -0.15 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.66 2qan s VAL 150 CO -0.22 0.24 0.26 -0.70 0.00 0.00 0.00 175.10 174.69 2qan s GLU 151 N -2.00 0.21 -0.19 2.72 2.12 -0.22 -4.27 118.70 117.07 2qan s GLU 151 Ca 0.36 0.38 -0.11 0.00 0.36 0.00 0.00 54.97 55.96 2qan s GLU 151 Cb -0.14 -0.83 -0.05 0.00 0.26 0.00 0.00 34.13 33.38 2qan s GLU 151 CO 0.19 -0.58 0.16 0.08 -0.54 0.00 0.00 175.26 174.58 2qan s VAL 152 N 2.39 5.39 0.00 3.70 1.01 -1.22 -1.05 120.40 130.61 2qan s VAL 152 Ca 0.07 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.31 2qan s VAL 152 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2qan s VAL 152 CO -0.12 0.43 0.00 -1.54 0.00 0.00 0.00 175.10 173.87 2qan n SER 153 N 3.54 0.00 -4.63 3.32 3.41 0.80 0.05 113.62 120.11 2qan n SER 153 Ca -0.15 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.22 2qan n SER 153 Cb 0.52 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.59 2qan n SER 153 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2qan s GLY 154 N -0.01 1.76 -0.76 5.00 0.00 -1.24 -3.63 107.32 108.45 2qan s GLY 154 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 2qan s GLY 154 CO 0.00 -1.16 0.00 0.54 0.00 0.00 0.00 173.10 172.48 2qan n ARG 155 N -2.90 -0.65 -2.12 2.90 5.12 -1.26 -4.68 116.66 113.07 2qan n ARG 155 Ca 0.16 0.50 -0.41 0.00 -1.93 0.00 0.00 57.85 56.17 2qan n ARG 155 Cb 0.61 -4.44 -0.02 0.00 -1.16 0.00 0.00 32.46 27.45 2qan n ARG 155 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qan s LEU 156 N -2.30 4.43 0.00 0.55 1.43 -1.26 -1.94 118.68 119.59 2qan s LEU 156 Ca 0.00 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 2qan s LEU 156 Cb 0.00 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2qan s LEU 156 CO 0.00 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.66 2qan n GLY 157 N 0.86 0.54 1.55 -3.19 0.00 -1.26 -2.31 105.19 101.38 2qan n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qan n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qan n GLY 158 N -2.00 0.53 3.69 -0.02 0.00 -0.82 -5.03 105.19 101.54 2qan n GLY 158 Ca 0.00 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 2qan n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan n ALA 159 N 0.32 0.76 0.25 4.61 0.00 -0.98 -4.88 120.51 120.60 2qan n ALA 159 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.50 2qan n ALA 159 Cb 0.00 -2.25 0.63 0.00 0.00 0.00 0.00 19.45 17.83 2qan n ALA 159 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qan h GLU 160 N 0.39 0.00 -4.94 0.00 5.08 -1.96 -3.39 114.58 109.77 2qan h GLU 160 Ca -0.50 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.19 2qan h GLU 160 Cb 1.35 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.30 2qan h GLU 160 CO 0.52 0.08 -0.72 0.42 -1.00 0.00 0.00 179.01 178.30 2qan s ILE 161 N -4.79 3.21 0.39 3.13 1.01 -1.26 -5.06 121.20 117.83 2qan s ILE 161 Ca -0.04 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.60 2qan s ILE 161 Cb 0.16 -2.55 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 2qan s ILE 161 CO 0.66 0.29 1.35 0.00 0.00 0.00 0.00 174.94 177.24 2qan s ALA 162 N 1.42 3.35 -0.10 9.38 0.00 -1.26 -4.56 121.76 129.99 2qan s ALA 162 Ca 0.03 1.32 -0.06 0.00 0.00 0.00 0.00 51.96 53.25 2qan s ALA 162 Cb -0.15 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.49 2qan s ALA 162 CO -0.03 -0.87 0.24 -0.98 0.00 0.00 0.00 175.76 174.11 2qan s ARG 163 N -2.16 0.22 0.09 0.00 1.70 -1.26 -4.64 118.95 112.90 2qan s ARG 163 Ca 0.55 0.46 -0.26 0.00 -0.47 0.00 0.00 55.73 56.00 2qan s ARG 163 Cb -0.40 -0.05 -0.06 0.00 -0.57 0.00 0.00 34.95 33.87 2qan s ARG 163 CO 0.53 -0.12 0.82 0.99 -1.08 0.00 0.00 175.30 176.44 2qan s THR 164 N 0.90 4.58 0.26 4.99 2.01 -1.24 -3.63 115.64 123.51 2qan s THR 164 Ca -0.06 1.77 -0.01 0.00 0.31 0.00 0.00 61.69 63.70 2qan s THR 164 Cb -0.08 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2qan s THR 164 CO -0.06 0.39 0.47 -0.70 -0.69 0.00 0.00 174.62 174.03 2qan s GLU 165 N -0.28 3.54 0.00 4.92 2.56 0.11 -4.98 118.70 124.56 2qan s GLU 165 Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.97 55.12 2qan s GLU 165 Cb -0.22 -2.75 0.00 0.00 2.00 0.00 0.00 34.13 33.16 2qan s GLU 165 CO 0.26 0.30 0.00 1.87 -0.56 0.00 0.00 175.26 177.12 2qan n TRP 166 N -1.00 0.00 -0.09 5.30 -0.00 -1.26 -3.46 117.44 116.93 2qan n TRP 166 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2qan n TRP 166 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 2qan n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 2qan n TYR 167 N 0.00 -0.22 -3.65 5.87 9.36 -1.26 -4.38 117.16 122.88 2qan n TYR 167 Ca 0.00 0.12 0.00 0.00 3.32 0.00 0.00 57.90 61.34 2qan n TYR 167 Cb 0.00 -1.48 -0.06 0.00 -0.63 0.00 0.00 39.34 37.16 2qan n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2qan s ARG 168 N -4.41 0.05 0.28 2.98 3.00 -1.26 -2.87 118.95 116.72 2qan s ARG 168 Ca 0.00 0.07 0.12 0.00 -1.00 0.00 0.00 55.73 54.92 2qan s ARG 168 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 34.95 34.92 2qan s ARG 168 CO 0.00 -0.01 -0.20 -1.21 0.00 0.00 0.00 175.30 173.88 2qan s GLU 169 N 0.60 1.69 0.17 5.12 2.02 -0.41 -4.98 118.70 122.90 2qan s GLU 169 Ca -0.01 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.22 2qan s GLU 169 Cb -0.03 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.42 2qan s GLU 169 CO -0.12 0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.90 2qan n GLY 170 N -0.61 -2.03 3.75 -1.39 0.00 -1.26 -0.52 105.19 103.13 2qan n GLY 170 Ca -0.05 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2qan n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qan s ARG 171 N -2.21 4.42 -0.49 1.61 1.70 -1.03 -4.58 118.95 118.37 2qan s ARG 171 Ca 0.00 0.92 0.07 0.00 -0.47 0.00 0.00 55.73 56.25 2qan s ARG 171 Cb 0.00 -3.36 0.23 0.00 -0.57 0.00 0.00 34.95 31.25 2qan s ARG 171 CO 0.00 0.30 0.55 0.28 -1.08 0.00 0.00 175.30 175.35 2qan n VAL 172 N 2.86 0.21 -2.34 4.99 0.31 -1.26 -4.01 118.33 119.08 2qan n VAL 172 Ca -0.04 -4.30 -0.35 0.00 -0.01 0.00 0.00 64.34 59.64 2qan n VAL 172 Cb 0.51 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 31.43 2qan n VAL 172 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qan s PRO 173 N -1.34 3.14 0.36 5.55 0.04 -1.26 -4.80 135.00 136.69 2qan s PRO 173 Ca 0.35 -0.75 0.27 0.00 0.04 0.00 0.00 61.00 60.92 2qan s PRO 173 Cb 0.13 -5.22 1.04 0.00 0.04 0.00 0.00 34.50 30.49 2qan s PRO 173 CO -0.10 -2.71 1.80 -0.07 0.04 0.00 0.00 177.00 175.96 2qan h LEU 174 N 14.97 0.00 -0.52 -3.56 4.07 -2.01 -2.74 115.31 125.52 2qan h LEU 174 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 2qan h LEU 174 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 2qan h LEU 174 CO 1.33 0.00 0.00 0.45 -1.08 0.00 0.00 178.44 179.14 2qan h HIS 175 N 0.00 0.00 -3.68 1.13 3.86 -2.02 -3.42 115.15 111.02 2qan h HIS 175 Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 2qan h HIS 175 Cb 0.50 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.88 2qan h HIS 175 CO 0.00 0.00 0.68 0.99 0.86 0.00 0.00 177.93 180.46 2qan s THR 176 N -3.37 4.39 0.22 2.45 2.01 -1.03 -4.89 115.64 115.42 2qan s THR 176 Ca 0.05 0.87 -0.08 0.00 0.31 0.00 0.00 61.69 62.85 2qan s THR 176 Cb 0.07 -4.49 0.17 0.00 0.01 0.00 0.00 72.50 68.26 2qan s THR 176 CO 0.61 -0.89 1.80 -0.07 -0.69 0.00 0.00 174.62 175.38 2qan h LEU 177 N 10.77 1.11 -5.21 4.42 3.38 -1.88 -2.86 115.31 125.04 2qan h LEU 177 Ca -0.24 -0.15 -0.65 0.00 0.09 0.00 0.00 57.88 56.93 2qan h LEU 177 Cb 1.07 -0.29 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2qan h LEU 177 CO 1.06 0.96 2.14 -1.14 0.09 0.00 0.00 178.44 181.54 2qan n ARG 178 N -4.29 3.87 0.00 1.13 0.63 -1.26 -4.03 116.66 112.71 2qan n ARG 178 Ca 0.08 -2.87 0.00 0.00 -0.92 0.00 0.00 57.85 54.14 2qan n ARG 178 Cb 0.16 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.54 2qan n ARG 178 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qan n ALA 179 N 1.97 1.39 -2.47 5.13 0.00 -1.08 -3.45 120.51 121.99 2qan n ALA 179 Ca 0.62 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 54.04 2qan n ALA 179 Cb 0.34 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.87 2qan n ALA 179 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qan n ASP 180 N -1.13 -5.13 -4.01 0.00 -0.08 -1.25 -3.89 116.55 101.06 2qan n ASP 180 Ca 0.00 1.54 -0.24 0.00 -1.51 0.00 0.00 54.79 54.58 2qan n ASP 180 Cb 0.20 -4.59 -0.16 0.00 2.34 0.00 0.00 41.12 38.90 2qan n ASP 180 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qan s ILE 181 N -0.52 1.02 -0.90 5.18 1.09 -1.26 -3.85 121.20 121.96 2qan s ILE 181 Ca -0.11 -0.42 -0.21 0.00 -1.10 0.00 0.00 60.65 58.81 2qan s ILE 181 Cb 0.01 -0.94 0.09 0.00 -1.06 0.00 0.00 42.46 40.56 2qan s ILE 181 CO 0.29 0.33 1.20 -0.62 -0.10 0.00 0.00 174.94 176.04 2qan s ASP 182 N 0.63 6.48 -0.10 3.58 3.68 0.93 -4.76 116.67 127.10 2qan s ASP 182 Ca -0.13 -1.58 -0.03 0.00 2.13 0.00 0.00 52.55 52.95 2qan s ASP 182 Cb -0.15 -2.46 -0.03 0.00 -1.45 0.00 0.00 42.92 38.83 2qan s ASP 182 CO 0.03 -1.31 0.01 -0.47 0.13 0.00 0.00 175.17 173.55 2qan s TYR 183 N 3.81 3.16 -0.00 -5.34 5.04 -1.26 -2.34 117.35 120.43 2qan s TYR 183 Ca 0.35 0.13 -0.28 0.00 -2.44 0.00 0.00 57.07 54.83 2qan s TYR 183 Cb -0.06 -1.84 0.10 0.00 0.35 0.00 0.00 41.96 40.51 2qan s TYR 183 CO -0.05 0.39 0.82 1.21 -1.34 0.00 0.00 175.55 176.59 2qan s ASN 184 N -0.63 -0.44 0.44 4.32 3.04 -1.13 -4.79 114.94 115.75 2qan s ASN 184 Ca 0.10 0.15 0.03 0.00 0.04 0.00 0.00 52.86 53.18 2qan s ASN 184 Cb -0.12 0.43 -0.02 0.00 -1.54 0.00 0.00 41.25 40.00 2qan s ASN 184 CO 0.02 -0.65 0.08 0.42 -3.04 0.00 0.00 177.10 173.94 2qan s THR 185 N -2.70 0.83 -0.30 -5.21 -4.23 -1.26 -1.72 115.64 101.05 2qan s THR 185 Ca 0.01 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.35 2qan s THR 185 Cb -0.01 -2.31 0.18 0.00 1.34 0.00 0.00 72.50 71.71 2qan s THR 185 CO -0.06 0.00 1.17 -0.94 -0.54 0.00 0.00 174.62 174.25 2qan s SER 186 N -3.70 -0.27 0.11 3.99 1.04 -0.92 -4.67 113.70 109.28 2qan s SER 186 Ca 0.18 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.66 2qan s SER 186 Cb 0.02 1.30 -0.06 0.00 0.10 0.00 0.00 66.02 67.39 2qan s SER 186 CO 0.11 -0.05 0.97 -1.61 0.98 0.00 0.00 173.24 173.63 2qan s GLU 187 N 2.30 4.69 -0.46 4.02 2.02 -1.26 -2.77 118.70 127.24 2qan s GLU 187 Ca -0.01 1.45 -0.11 0.00 0.02 0.00 0.00 54.97 56.32 2qan s GLU 187 Cb -0.04 -3.38 0.10 0.00 0.10 0.00 0.00 34.13 30.91 2qan s GLU 187 CO -0.16 0.19 0.34 0.00 0.02 0.00 0.00 175.26 175.66 2qan s ALA 188 N 0.06 3.41 -0.76 5.21 0.00 0.64 -4.86 121.76 125.46 2qan s ALA 188 Ca 0.47 -2.30 -0.26 0.00 0.00 0.00 0.00 51.96 49.87 2qan s ALA 188 Cb -0.23 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2qan s ALA 188 CO 0.30 -1.78 1.57 -1.01 0.00 0.00 0.00 175.76 174.84 2qan s HIS 189 N 1.47 2.06 0.82 0.00 0.09 -1.26 -0.07 115.29 118.40 2qan s HIS 189 Ca 0.04 0.18 -0.12 0.00 -0.00 0.00 0.00 55.06 55.16 2qan s HIS 189 Cb -0.25 -4.40 0.10 0.00 -0.00 0.00 0.00 32.58 28.04 2qan s HIS 189 CO 0.02 -2.09 1.17 0.99 -0.00 0.00 0.00 174.74 174.83 2qan s THR 190 N 7.22 2.05 0.65 1.30 2.01 -0.13 -4.88 115.64 123.86 2qan s THR 190 Ca 0.51 -0.07 0.42 0.00 0.31 0.00 0.00 61.69 62.86 2qan s THR 190 Cb -0.08 -2.99 0.42 0.00 0.01 0.00 0.00 72.50 69.86 2qan s THR 190 CO 0.11 0.00 2.29 0.71 -0.69 0.00 0.00 174.62 177.04 2qan h THR 191 N -1.08 0.00 -0.87 -0.82 1.35 -1.95 -3.22 112.91 106.32 2qan h THR 191 Ca -0.45 0.00 -0.34 0.00 -0.55 0.00 0.00 66.41 65.07 2qan h THR 191 Cb 1.31 0.93 -0.27 0.00 -1.73 0.00 0.00 68.15 68.39 2qan h THR 191 CO 0.58 0.00 -0.80 0.00 -0.25 0.00 0.00 175.52 175.06 2qan n TYR 192 N -3.03 -1.28 0.00 4.73 0.18 -1.26 -5.12 117.16 111.38 2qan n TYR 192 Ca -0.03 -2.83 0.00 0.00 1.88 0.00 0.00 57.90 56.92 2qan n TYR 192 Cb 0.12 0.65 0.00 0.00 -0.38 0.00 0.00 39.34 39.73 2qan n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2qan n GLY 193 N 0.19 4.38 3.82 -7.48 0.00 -1.22 -5.07 105.19 99.82 2qan n GLY 193 Ca 0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 2qan n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qan s VAL 194 N -1.42 4.09 -0.31 1.61 1.01 -1.26 -0.96 120.40 123.16 2qan s VAL 194 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 61.98 62.70 2qan s VAL 194 Cb 0.00 -3.46 0.12 0.00 0.00 0.00 0.00 36.38 33.04 2qan s VAL 194 CO 0.00 -0.84 0.22 -0.63 0.00 0.00 0.00 175.10 173.85 2qan s ILE 195 N -2.96 -0.15 0.84 2.22 1.01 0.90 -4.82 121.20 118.24 2qan s ILE 195 Ca 0.58 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2qan s ILE 195 Cb -0.14 -0.97 0.10 0.00 0.01 0.00 0.00 42.46 41.46 2qan s ILE 195 CO 0.52 -0.69 1.16 -0.83 0.00 0.00 0.00 174.94 175.10 2qan s GLY 196 N 1.90 1.90 -0.13 6.18 0.00 -1.26 -0.26 107.32 115.64 2qan s GLY 196 Ca 0.12 0.65 -0.08 0.00 0.00 0.00 0.00 44.72 45.41 2qan s GLY 196 CO -0.25 1.06 0.32 0.14 0.00 0.00 0.00 173.10 174.37 2qan s VAL 197 N -2.47 -0.02 -0.07 1.40 1.01 -1.12 -0.14 120.40 119.00 2qan s VAL 197 Ca 0.69 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.76 2qan s VAL 197 Cb -0.24 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2qan s VAL 197 CO 0.54 0.03 -0.08 -0.54 0.00 0.00 0.00 175.10 175.05 2qan s LYS 198 N 0.96 1.35 -0.10 2.72 1.02 -0.22 -2.16 119.74 123.32 2qan s LYS 198 Ca -0.06 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 55.68 2qan s LYS 198 Cb -0.07 -1.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2qan s LYS 198 CO -0.07 -0.08 -0.18 0.14 -0.92 0.00 0.00 175.35 174.25 2qan s VAL 199 N 1.00 2.67 -0.29 3.17 -7.23 -0.70 -1.05 120.40 117.96 2qan s VAL 199 Ca -0.09 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2qan s VAL 199 Cb -0.15 -2.07 0.08 0.00 0.56 0.00 0.00 36.38 34.80 2qan s VAL 199 CO 0.00 0.55 -0.03 0.26 -0.31 0.00 0.00 175.10 175.57 2qan s TRP 200 N 0.15 3.37 -0.29 2.82 0.51 -0.10 -2.85 118.94 122.54 2qan s TRP 200 Ca -0.09 -2.56 -0.03 0.00 -2.12 0.00 0.00 56.10 51.29 2qan s TRP 200 Cb -0.16 -2.32 0.03 0.00 -0.81 0.00 0.00 33.47 30.21 2qan s TRP 200 CO 0.06 -0.90 0.01 0.42 -0.51 0.00 0.00 176.95 176.03 2qan s ILE 201 N 1.05 3.27 -0.40 2.03 1.01 -0.99 0.37 121.20 127.55 2qan s ILE 201 Ca 0.00 -1.08 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 2qan s ILE 201 Cb -0.19 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.53 2qan s ILE 201 CO -0.07 0.02 0.36 0.12 0.00 0.00 0.00 174.94 175.38 2qan s PHE 202 N 1.35 3.20 -0.20 3.97 5.36 0.28 -0.05 117.98 131.90 2qan s PHE 202 Ca -0.01 -0.39 -0.21 0.00 -0.96 0.00 0.00 56.93 55.36 2qan s PHE 202 Cb -0.18 -2.72 -0.18 0.00 -0.34 0.00 0.00 43.02 39.59 2qan s PHE 202 CO -0.01 -0.60 0.21 0.87 -1.46 0.00 0.00 175.22 174.23 2qan h LYS 203 N 8.64 0.00 -1.85 10.12 1.57 -1.82 0.40 116.57 133.63 2qan h LYS 203 Ca -0.27 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2qan h LYS 203 Cb 1.12 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.22 2qan h LYS 203 CO 0.75 0.93 0.30 0.20 -0.57 0.00 0.00 179.45 181.05 2qan s GLY 204 N -4.78 -0.45 0.00 3.86 0.00 -1.26 -3.90 107.32 100.80 2qan s GLY 204 Ca -0.27 1.77 0.00 0.00 0.00 0.00 0.00 44.72 46.21 2qan s GLY 204 CO 0.57 1.21 0.00 1.18 0.00 0.00 0.00 173.10 176.06 2qan n GLU 205 N 1.33 0.00 0.00 2.90 -0.58 -1.25 -4.16 120.64 118.87 2qan n GLU 205 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2qan n GLU 205 Cb 0.57 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.44 2qan n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16