#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3isb n GLN 8 N 0.00 0.00 0.13 -0.52 0.00 -1.26 -4.76 117.38 110.97 3isb n GLN 8 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.00 57.09 3isb n GLN 8 Cb 0.00 -1.18 0.47 0.00 0.00 0.00 0.00 30.24 29.53 3isb n GLN 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3isb n GLU 9 N 1.18 0.12 0.20 2.61 1.02 -1.26 -0.65 120.64 123.87 3isb n GLU 9 Ca 0.19 0.59 0.13 0.00 -0.02 0.00 0.00 57.16 58.04 3isb n GLU 9 Cb 0.18 -1.86 0.31 0.00 -0.02 0.00 0.00 31.44 30.05 3isb n GLU 9 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3isb h THR 10 N 0.00 0.00 0.66 2.62 1.35 -1.98 0.16 112.91 115.73 3isb h THR 10 Ca 0.00 -0.78 -0.03 0.00 -0.55 0.00 0.00 66.41 65.05 3isb h THR 10 Cb 0.04 1.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3isb h THR 10 CO 0.00 0.00 -0.32 -0.07 -0.25 0.00 0.00 175.52 174.88 3isb h LEU 11 N 0.00 -0.76 -2.73 3.87 3.38 -1.20 -3.39 115.31 114.49 3isb h LEU 11 Ca 0.00 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3isb h LEU 11 Cb 0.84 0.20 -0.17 0.00 0.09 0.00 0.00 40.66 41.61 3isb h LEU 11 CO 0.00 -0.54 -0.69 0.59 0.09 0.00 0.00 178.44 177.89 3isb n ASN 12 N -4.40 1.00 -0.14 -0.43 3.02 -1.25 -4.54 115.26 108.52 3isb n ASN 12 Ca -0.11 -2.45 0.14 0.00 -0.03 0.00 0.00 54.58 52.13 3isb n ASN 12 Cb 0.35 -0.33 0.50 0.00 -0.61 0.00 0.00 39.78 39.69 3isb n ASN 12 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3isb h GLY 13 N 0.62 0.68 0.93 7.41 0.00 -0.86 -0.40 103.07 111.45 3isb h GLY 13 Ca -0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3isb h GLY 13 CO 0.04 0.08 0.12 -1.33 0.00 0.00 0.00 176.54 175.46 3isb h GLY 14 N 0.43 0.65 0.83 4.60 0.00 -1.89 0.05 103.07 107.74 3isb h GLY 14 Ca 0.34 -0.39 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 3isb h GLY 14 CO -0.11 0.36 0.03 -2.22 0.00 0.00 0.00 176.54 174.61 3isb h ILE 15 N 0.48 1.22 -0.24 2.60 2.04 -1.52 -2.12 117.51 119.96 3isb h ILE 15 Ca 0.12 -0.69 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 3isb h ILE 15 Cb 0.26 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3isb h ILE 15 CO -0.00 0.21 -0.24 0.71 0.00 0.00 0.00 178.15 178.83 3isb h THR 16 N 0.08 1.26 -0.20 -0.27 1.35 -1.12 -0.88 112.91 113.13 3isb h THR 16 Ca 0.05 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 3isb h THR 16 Cb 0.29 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3isb h THR 16 CO 0.00 0.39 0.08 0.44 -0.25 0.00 0.00 175.52 176.18 3isb h ASP 17 N 0.40 0.28 -0.53 5.36 3.32 -0.90 -0.50 116.42 123.85 3isb h ASP 17 Ca 0.06 -0.17 0.03 0.00 0.02 0.00 0.00 57.03 56.97 3isb h ASP 17 Cb 0.63 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3isb h ASP 17 CO 0.05 0.38 0.31 -0.03 -1.72 0.00 0.00 179.24 178.22 3isb h MET 18 N 0.17 0.60 -0.42 3.56 1.85 -1.11 -0.25 114.93 119.34 3isb h MET 18 Ca 0.07 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.03 3isb h MET 18 Cb 0.18 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 3isb h MET 18 CO -0.01 0.40 -0.11 -0.07 -0.40 0.00 0.00 176.91 176.73 3isb h LEU 19 N 0.62 0.73 -0.45 3.39 3.38 -0.98 -1.76 115.31 120.24 3isb h LEU 19 Ca 0.22 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3isb h LEU 19 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3isb h LEU 19 CO -0.10 0.86 -0.13 0.74 0.09 0.00 0.00 178.44 179.90 3isb h THR 20 N 0.67 1.27 -0.77 0.22 2.02 -0.63 -0.24 112.91 115.46 3isb h THR 20 Ca 0.12 -1.26 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 3isb h THR 20 Cb 0.57 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 3isb h THR 20 CO 0.04 0.43 0.31 -0.08 0.37 0.00 0.00 175.52 176.59 3isb h GLU 21 N 0.73 1.14 -0.59 6.66 4.81 -0.86 -1.34 114.58 125.13 3isb h GLU 21 Ca 0.11 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3isb h GLU 21 Cb 0.68 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3isb h GLU 21 CO 0.05 0.93 0.11 -0.07 -0.73 0.00 0.00 179.01 179.30 3isb h LEU 22 N 1.11 0.92 -0.38 1.64 3.38 -1.13 -2.71 115.31 118.14 3isb h LEU 22 Ca 0.26 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3isb h LEU 22 Cb 0.21 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3isb h LEU 22 CO -0.02 0.93 0.07 0.00 0.09 0.00 0.00 178.44 179.51 3isb h ALA 23 N 1.02 0.41 -0.42 1.53 0.00 -0.35 -1.67 119.26 119.78 3isb h ALA 23 Ca 0.18 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3isb h ALA 23 Cb 0.39 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3isb h ALA 23 CO 0.01 -0.33 0.26 -0.91 0.00 0.00 0.00 179.25 178.28 3isb h ASN 24 N 0.19 0.50 -0.47 0.00 2.35 -1.03 -1.70 115.58 115.43 3isb h ASN 24 Ca 0.19 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3isb h ASN 24 Cb 0.22 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3isb h ASN 24 CO -0.25 0.40 0.21 -0.26 -1.65 0.00 0.00 177.43 175.88 3isb h PHE 25 N 0.56 0.73 -0.44 1.19 0.04 -1.18 0.33 116.94 118.17 3isb h PHE 25 Ca 0.15 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3isb h PHE 25 Cb -0.02 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 3isb h PHE 25 CO -0.04 0.56 0.19 0.93 -0.60 0.00 0.00 178.31 179.36 3isb h GLU 26 N 0.72 0.65 0.26 1.51 4.39 -0.87 -0.29 114.58 120.96 3isb h GLU 26 Ca 0.18 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3isb h GLU 26 Cb 0.13 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3isb h GLU 26 CO -0.02 0.58 -0.12 -0.22 -1.16 0.00 0.00 179.01 178.07 3isb h LYS 27 N 0.57 -0.33 0.00 2.33 3.64 -0.72 0.11 116.57 122.17 3isb h LYS 27 Ca 0.15 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 3isb h LYS 27 Cb 0.16 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3isb h LYS 27 CO -0.02 -0.00 -0.30 -0.91 -2.27 0.00 0.00 179.45 175.95 3isb h ASN 28 N -0.95 0.00 0.00 4.20 2.35 -0.42 -3.20 115.58 117.56 3isb h ASN 28 Ca -0.04 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.62 3isb h ASN 28 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3isb h ASN 28 CO 0.06 0.30 -1.06 0.52 -1.65 0.00 0.00 177.43 175.60 3isb n VAL 29 N -3.23 0.85 0.57 2.81 0.31 -0.19 -4.61 118.33 114.83 3isb n VAL 29 Ca 0.02 0.05 0.13 0.00 -0.01 0.00 0.00 64.34 64.52 3isb n VAL 29 Cb 0.60 -1.72 0.40 0.00 -0.91 0.00 0.00 33.84 32.21 3isb n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3isb h SER 30 N -0.34 0.00 -5.95 4.52 0.02 -1.37 -3.48 113.55 106.95 3isb h SER 30 Ca -0.15 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.43 3isb h SER 30 Cb 0.87 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.51 3isb h SER 30 CO -0.09 0.00 -0.86 0.00 -1.14 0.00 0.00 176.83 174.74 3isb n GLN 31 N -2.35 -3.49 -3.54 3.45 6.02 -0.01 -4.96 117.38 112.50 3isb n GLN 31 Ca 0.05 0.65 -0.27 0.00 -0.01 0.00 0.00 57.00 57.42 3isb n GLN 31 Cb 0.42 -5.11 -0.09 0.00 1.02 0.00 0.00 30.24 26.48 3isb n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3isb n ALA 32 N -4.00 3.43 -0.29 -1.58 0.00 0.17 -4.97 120.51 113.27 3isb n ALA 32 Ca -0.20 -4.25 0.25 0.00 0.00 0.00 0.00 53.44 49.25 3isb n ALA 32 Cb 0.64 -0.91 0.58 0.00 0.00 0.00 0.00 19.45 19.77 3isb n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3isb h ILE 33 N 3.61 0.53 -0.12 0.00 6.09 -1.88 0.18 117.51 125.93 3isb h ILE 33 Ca 0.17 -0.09 -0.15 0.00 -1.37 0.00 0.00 64.86 63.42 3isb h ILE 33 Cb 0.76 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 3isb h ILE 33 CO 0.67 0.05 -0.59 0.45 -3.07 0.00 0.00 178.15 175.67 3isb h HIS 34 N 0.27 0.48 -0.10 2.19 3.86 -1.95 -0.84 115.15 119.06 3isb h HIS 34 Ca 0.55 -0.18 -0.17 0.00 -1.16 0.00 0.00 60.37 59.41 3isb h HIS 34 Cb 1.62 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 3isb h HIS 34 CO -0.00 0.87 -0.66 0.87 0.86 0.00 0.00 177.93 179.87 3isb h LYS 35 N 0.29 0.40 0.06 2.45 1.57 -1.39 -0.91 116.57 119.05 3isb h LYS 35 Ca -0.00 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.48 3isb h LYS 35 Cb 1.11 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3isb h LYS 35 CO 0.10 0.92 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.90 3isb h TYR 36 N 0.29 -0.20 -0.10 -1.35 3.20 -1.03 -1.28 116.97 116.49 3isb h TYR 36 Ca -0.02 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 3isb h TYR 36 Cb 1.21 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 3isb h TYR 36 CO 0.04 -0.12 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.30 3isb h ASN 37 N -0.17 0.17 -0.22 -2.11 2.35 -1.03 -2.04 115.58 112.53 3isb h ASN 37 Ca 0.01 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3isb h ASN 37 Cb 0.17 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3isb h ASN 37 CO -0.03 0.40 0.08 0.00 -1.65 0.00 0.00 177.43 176.23 3isb h ALA 38 N 1.62 0.29 -0.72 -0.83 0.00 -0.61 -1.10 119.26 117.89 3isb h ALA 38 Ca 0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3isb h ALA 38 Cb 0.49 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3isb h ALA 38 CO 0.03 -0.11 0.21 1.88 0.00 0.00 0.00 179.25 181.27 3isb h TYR 39 N 0.19 1.18 -0.76 0.00 0.05 -0.97 -1.11 116.97 115.57 3isb h TYR 39 Ca 0.07 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.69 3isb h TYR 39 Cb 0.20 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.57 3isb h TYR 39 CO -0.00 0.94 0.35 0.00 -1.05 0.00 0.00 178.16 178.39 3isb h ARG 40 N 1.08 1.11 -0.64 4.88 3.08 -1.23 0.16 114.38 122.82 3isb h ARG 40 Ca 0.23 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 3isb h ARG 40 Cb 0.33 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3isb h ARG 40 CO -0.00 0.87 0.10 -0.22 -1.07 0.00 0.00 179.97 179.65 3isb h LYS 41 N 1.08 1.06 -0.42 0.04 3.64 -0.96 0.41 116.57 121.40 3isb h LYS 41 Ca 0.26 -0.28 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3isb h LYS 41 Cb 0.15 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3isb h LYS 41 CO -0.03 0.98 0.10 0.00 -2.27 0.00 0.00 179.45 178.23 3isb h ALA 42 N 1.03 0.56 -0.68 5.00 0.00 -0.75 -1.53 119.26 122.90 3isb h ALA 42 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3isb h ALA 42 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3isb h ALA 42 CO 0.01 0.24 0.23 0.00 0.00 0.00 0.00 179.25 179.73 3isb h ALA 43 N 0.96 1.12 0.38 0.00 0.00 -0.39 -1.85 119.26 119.48 3isb h ALA 43 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3isb h ALA 43 Cb 0.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3isb h ALA 43 CO 0.00 0.61 -0.18 0.77 0.00 0.00 0.00 179.25 180.45 3isb h SER 44 N 0.99 -0.43 -0.52 0.00 0.02 -0.70 0.40 113.55 113.30 3isb h SER 44 Ca 0.22 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 3isb h SER 44 Cb 0.26 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3isb h SER 44 CO -0.01 -0.12 0.35 1.62 -1.14 0.00 0.00 176.83 177.53 3isb h VAL 45 N -0.75 0.98 0.01 2.27 3.04 -1.25 -0.61 116.25 119.93 3isb h VAL 45 Ca -0.05 -0.16 -0.23 0.00 -1.01 0.00 0.00 66.70 65.25 3isb h VAL 45 Cb 0.51 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 3isb h VAL 45 CO 0.08 0.09 -0.95 0.40 -1.01 0.00 0.00 177.57 176.18 3isb h ILE 46 N 0.47 1.41 0.00 3.17 2.04 -1.17 -3.01 117.51 120.42 3isb h ILE 46 Ca 0.23 -2.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.59 3isb h ILE 46 Cb 0.30 2.45 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3isb h ILE 46 CO -0.06 0.74 -0.02 0.00 0.00 0.00 0.00 178.15 178.81 3isb h ALA 47 N 0.75 1.07 -0.01 1.87 0.00 0.14 -2.41 119.26 120.67 3isb h ALA 47 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3isb h ALA 47 Cb 1.59 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3isb h ALA 47 CO 0.16 0.03 -0.76 1.63 0.00 0.00 0.00 179.25 180.31 3isb n LYS 48 N -3.21 0.74 -2.23 0.00 5.02 -0.90 -4.51 118.16 113.07 3isb n LYS 48 Ca -0.02 -0.36 -0.42 0.00 -2.02 0.00 0.00 58.31 55.49 3isb n LYS 48 Cb 0.17 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.72 3isb n LYS 48 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3isb s TYR 49 N -2.69 2.65 -0.29 2.13 6.14 -0.91 -4.79 117.35 119.59 3isb s TYR 49 Ca 0.11 0.73 -0.03 0.00 0.64 0.00 0.00 57.07 58.52 3isb s TYR 49 Cb 0.16 -3.67 0.03 0.00 0.42 0.00 0.00 41.96 38.89 3isb s TYR 49 CO 0.72 -2.55 2.69 -0.35 0.64 0.00 0.00 175.55 176.69 3isb n PRO 50 N 6.10 2.05 -3.69 4.97 -0.04 -1.26 -4.82 135.00 138.30 3isb n PRO 50 Ca 0.14 -1.67 -0.12 0.00 -0.04 0.00 0.00 63.50 61.81 3isb n PRO 50 Cb 0.44 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 3isb n PRO 50 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3isb s HIS 51 N -1.05 -0.62 -0.32 0.54 3.76 -1.26 -5.10 115.29 111.24 3isb s HIS 51 Ca 0.48 1.44 -0.29 0.00 -0.15 0.00 0.00 55.06 56.54 3isb s HIS 51 Cb 0.30 0.24 -0.00 0.00 1.11 0.00 0.00 32.58 34.23 3isb s HIS 51 CO -0.10 -0.31 1.46 0.21 -0.85 0.00 0.00 174.74 175.15 3isb s LYS 52 N 0.56 3.73 0.25 1.40 2.20 -1.26 -4.82 119.74 121.80 3isb s LYS 52 Ca -0.02 1.27 -0.31 0.00 -0.36 0.00 0.00 55.97 56.54 3isb s LYS 52 Cb -0.04 -3.99 -0.13 0.00 -1.51 0.00 0.00 37.83 32.15 3isb s LYS 52 CO -0.03 -1.37 1.45 -0.89 -0.36 0.00 0.00 175.35 174.16 3isb n ILE 53 N 6.64 0.97 0.64 5.43 5.41 -1.26 -4.92 119.36 132.27 3isb n ILE 53 Ca 0.17 -0.24 0.06 0.00 1.00 0.00 0.00 62.75 63.74 3isb n ILE 53 Cb 0.47 -1.60 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 3isb n ILE 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3isb n LYS 54 N 2.06 2.48 -3.57 0.38 5.02 -1.26 -5.05 118.16 118.22 3isb n LYS 54 Ca 0.11 -0.04 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 3isb n LYS 54 Cb 0.33 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 3isb n LYS 54 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3isb s SER 55 N -2.25 -0.22 0.36 4.39 1.04 -1.26 -5.01 113.70 110.74 3isb s SER 55 Ca 0.05 -0.03 0.07 0.00 0.48 0.00 0.00 55.95 56.53 3isb s SER 55 Cb 0.10 0.26 0.69 0.00 0.10 0.00 0.00 66.02 67.17 3isb s SER 55 CO 0.55 -0.42 1.88 1.23 0.98 0.00 0.00 173.24 177.45 3isb h GLY 56 N 2.00 0.35 1.38 7.32 0.00 -1.86 -2.29 103.07 109.97 3isb h GLY 56 Ca -0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 3isb h GLY 56 CO 0.26 0.21 0.02 0.00 0.00 0.00 0.00 176.54 177.04 3isb h ALA 57 N 1.57 1.16 -0.15 3.60 0.00 -1.95 0.28 119.26 123.76 3isb h ALA 57 Ca 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3isb h ALA 57 Cb 0.41 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3isb h ALA 57 CO 0.02 0.55 0.02 1.49 0.00 0.00 0.00 179.25 181.34 3isb h GLU 58 N 0.72 0.25 -0.69 0.00 4.81 -1.82 -3.03 114.58 114.82 3isb h GLU 58 Ca 0.15 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 3isb h GLU 58 Cb 0.41 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3isb h GLU 58 CO 0.01 0.43 0.19 0.00 -0.73 0.00 0.00 179.01 178.92 3isb h ALA 59 N 0.81 1.04 -0.15 2.92 0.00 -1.14 -2.90 119.26 119.83 3isb h ALA 59 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3isb h ALA 59 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3isb h ALA 59 CO 0.00 0.64 0.21 -0.22 0.00 0.00 0.00 179.25 179.88 3isb h LYS 60 N 1.03 0.00 0.00 0.00 3.64 -0.31 0.36 116.57 121.30 3isb h LYS 60 Ca 0.22 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3isb h LYS 60 Cb 0.32 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3isb h LYS 60 CO -0.00 0.00 -0.08 0.87 -2.27 0.00 0.00 179.45 177.97 3isb h LYS 61 N 0.00 0.00 -6.59 1.90 1.57 -1.51 -3.43 116.57 108.50 3isb h LYS 61 Ca 0.07 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.33 3isb h LYS 61 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3isb h LYS 61 CO -0.00 0.08 0.40 -0.51 -0.57 0.00 0.00 179.45 178.85 3isb s LEU 62 N -7.01 4.49 0.10 2.94 1.43 0.12 -4.99 118.68 115.75 3isb s LEU 62 Ca -0.03 1.89 -0.31 0.00 -1.03 0.00 0.00 54.13 54.66 3isb s LEU 62 Cb 0.13 -3.59 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 3isb s LEU 62 CO 0.55 -0.13 1.72 -2.16 0.23 0.00 0.00 176.35 176.57 3isb s PRO 63 N -0.08 4.17 0.00 1.29 0.04 -1.26 -1.99 135.00 137.17 3isb s PRO 63 Ca 0.48 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.97 3isb s PRO 63 Cb -0.25 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.71 3isb s PRO 63 CO 0.31 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.99 3isb n GLY 64 N 4.09 2.47 3.42 0.56 0.00 -1.26 -4.86 105.19 109.61 3isb n GLY 64 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3isb n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isb s VAL 65 N -2.34 4.46 0.00 1.61 1.01 -0.84 -4.32 120.40 119.98 3isb s VAL 65 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3isb s VAL 65 Cb 0.00 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3isb s VAL 65 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3isb n GLY 66 N 4.96 4.63 0.06 4.51 0.00 -1.26 -4.54 105.19 113.54 3isb n GLY 66 Ca -0.14 -1.98 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 3isb n GLY 66 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3isb h THR 67 N 0.00 1.03 0.07 2.61 2.02 -1.98 -1.64 112.91 115.02 3isb h THR 67 Ca 0.00 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 3isb h THR 67 Cb 0.00 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3isb h THR 67 CO 0.00 0.02 -0.04 0.11 0.37 0.00 0.00 175.52 175.99 3isb h LYS 68 N 0.06 -0.10 0.00 6.66 1.79 -1.99 -0.90 116.57 122.08 3isb h LYS 68 Ca 0.02 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.44 3isb h LYS 68 Cb 0.01 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 3isb h LYS 68 CO -0.00 -0.01 -0.25 0.82 -1.08 0.00 0.00 179.45 178.92 3isb h ILE 69 N -0.15 0.98 -0.32 1.86 2.04 -1.96 -1.13 117.51 118.83 3isb h ILE 69 Ca -0.01 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3isb h ILE 69 Cb 0.13 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3isb h ILE 69 CO 0.02 0.24 0.08 0.00 0.00 0.00 0.00 178.15 178.49 3isb h ALA 70 N 1.75 0.42 -0.56 1.87 0.00 -0.80 -0.77 119.26 121.18 3isb h ALA 70 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3isb h ALA 70 Cb 0.50 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3isb h ALA 70 CO 0.03 0.08 0.22 0.93 0.00 0.00 0.00 179.25 180.51 3isb h GLU 71 N 0.35 0.84 -0.24 0.00 5.08 -0.45 -1.95 114.58 118.21 3isb h GLU 71 Ca 0.10 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3isb h GLU 71 Cb 0.29 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3isb h GLU 71 CO 0.00 0.73 -0.06 0.87 -1.00 0.00 0.00 179.01 179.55 3isb h LYS 72 N 0.77 0.37 -0.24 2.33 1.57 -1.03 -1.38 116.57 118.95 3isb h LYS 72 Ca 0.18 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3isb h LYS 72 Cb 0.21 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3isb h LYS 72 CO -0.01 0.45 -0.55 0.82 -0.57 0.00 0.00 179.45 179.58 3isb h ILE 73 N 0.35 1.29 -0.72 1.86 2.04 -0.76 -0.99 117.51 120.58 3isb h ILE 73 Ca 0.07 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.11 3isb h ILE 73 Cb 0.34 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 3isb h ILE 73 CO 0.02 0.56 0.23 0.44 0.00 0.00 0.00 178.15 179.40 3isb h ASP 74 N 0.56 1.03 -0.35 1.72 3.32 -0.89 -0.24 116.42 121.58 3isb h ASP 74 Ca 0.01 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3isb h ASP 74 Cb 1.13 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3isb h ASP 74 CO 0.11 0.96 0.11 -0.08 -1.72 0.00 0.00 179.24 178.63 3isb h GLU 75 N 1.05 0.54 -0.36 3.56 4.81 -1.11 -2.31 114.58 120.76 3isb h GLU 75 Ca 0.23 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3isb h GLU 75 Cb 0.29 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3isb h GLU 75 CO -0.01 0.56 0.21 0.35 -0.73 0.00 0.00 179.01 179.40 3isb h PHE 76 N 0.41 0.47 -0.45 0.92 3.04 -0.87 -0.33 116.94 120.14 3isb h PHE 76 Ca 0.11 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 3isb h PHE 76 Cb 0.24 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.58 3isb h PHE 76 CO 0.01 0.35 0.21 -0.07 -2.02 0.00 0.00 178.31 176.78 3isb h LEU 77 N 0.47 0.59 -0.32 0.59 3.38 -0.98 1.19 115.31 120.23 3isb h LEU 77 Ca 0.13 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 3isb h LEU 77 Cb 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3isb h LEU 77 CO -0.02 0.56 -0.65 0.00 0.09 0.00 0.00 178.44 178.41 3isb h ALA 78 N 1.06 0.49 0.00 1.53 0.00 -1.31 -3.36 119.26 117.67 3isb h ALA 78 Ca 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3isb h ALA 78 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3isb h ALA 78 CO -0.02 0.70 -0.87 0.25 0.00 0.00 0.00 179.25 179.30 3isb n THR 79 N -3.95 0.00 -1.01 0.00 -2.24 -0.14 -5.00 114.28 101.95 3isb n THR 79 Ca -0.05 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3isb n THR 79 Cb 0.67 0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3isb n THR 79 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3isb n GLY 80 N 1.47 0.47 3.83 3.38 0.00 0.41 -4.99 105.19 109.76 3isb n GLY 80 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 3isb n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3isb s LYS 81 N -0.76 1.19 -0.15 1.61 -2.85 -1.22 -5.01 119.74 112.54 3isb s LYS 81 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 3isb s LYS 81 Cb 0.00 0.35 0.02 0.00 -2.06 0.00 0.00 37.83 36.15 3isb s LYS 81 CO 0.00 -0.55 -0.13 -0.51 0.10 0.00 0.00 175.35 174.25 3isb s LEU 82 N -3.27 1.67 0.20 2.77 1.43 -1.26 -3.67 118.68 116.56 3isb s LEU 82 Ca 0.19 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3isb s LEU 82 Cb -0.02 -1.15 0.27 0.00 0.03 0.00 0.00 46.19 45.32 3isb s LEU 82 CO 0.04 -0.07 1.71 0.03 0.23 0.00 0.00 176.35 178.28 3isb h ARG 83 N 8.06 0.24 -0.51 1.70 3.08 -1.99 0.07 114.38 125.02 3isb h ARG 83 Ca -0.37 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3isb h ARG 83 Cb 1.13 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3isb h ARG 83 CO 0.51 0.16 0.26 0.87 -1.07 0.00 0.00 179.97 180.70 3isb h LYS 84 N 0.24 0.73 -0.29 0.04 1.57 -1.99 -1.14 116.57 115.73 3isb h LYS 84 Ca 0.30 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3isb h LYS 84 Cb 0.43 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3isb h LYS 84 CO -0.39 0.60 0.07 1.25 -0.57 0.00 0.00 179.45 180.42 3isb h LEU 85 N 0.69 0.44 -0.52 2.94 5.85 -1.86 -1.50 115.31 121.35 3isb h LEU 85 Ca 0.18 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.75 3isb h LEU 85 Cb 0.10 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3isb h LEU 85 CO -0.02 0.56 0.17 -0.33 -0.34 0.00 0.00 178.44 178.47 3isb h GLU 86 N 0.31 0.33 -0.41 1.25 4.39 -0.78 -0.27 114.58 119.39 3isb h GLU 86 Ca 0.09 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3isb h GLU 86 Cb 0.28 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3isb h GLU 86 CO 0.00 0.22 0.13 -0.22 -1.16 0.00 0.00 179.01 177.98 3isb h LYS 87 N 0.34 0.64 -0.07 2.33 1.63 -0.96 -2.97 116.57 117.51 3isb h LYS 87 Ca 0.26 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 3isb h LYS 87 Cb 0.30 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3isb h LYS 87 CO -0.28 0.63 -0.57 0.97 -3.45 0.00 0.00 179.45 176.75 3isb h ILE 88 N 0.52 1.38 -0.78 2.00 2.10 -0.94 -2.73 117.51 119.06 3isb h ILE 88 Ca 0.13 -1.92 0.06 0.00 1.08 0.00 0.00 64.86 64.21 3isb h ILE 88 Cb 0.25 1.97 -0.05 0.00 -1.09 0.00 0.00 36.82 37.90 3isb h ILE 88 CO -0.00 0.57 0.51 0.03 -1.08 0.00 0.00 178.15 178.17 3isb h ARG 89 N 0.16 0.85 -0.02 2.19 3.08 -0.93 -1.95 114.38 117.76 3isb h ARG 89 Ca -0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3isb h ARG 89 Cb 1.06 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3isb h ARG 89 CO 0.09 0.56 -0.05 0.00 -1.07 0.00 0.00 179.97 179.50 3isb n GLN 90 N -4.47 1.66 -2.55 0.04 10.64 -1.11 -4.76 117.38 116.82 3isb n GLN 90 Ca 0.11 -1.07 -0.43 0.00 -1.83 0.00 0.00 57.00 53.78 3isb n GLN 90 Cb 0.19 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.07 3isb n GLN 90 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3isb s ASP 91 N -2.08 6.70 0.29 2.61 2.15 -0.73 -4.91 116.67 120.69 3isb s ASP 91 Ca 0.34 0.81 0.01 0.00 0.43 0.00 0.00 52.55 54.14 3isb s ASP 91 Cb 0.21 -2.55 0.52 0.00 -0.30 0.00 0.00 42.92 40.80 3isb s ASP 91 CO 0.36 -1.13 1.87 -0.78 -0.17 0.00 0.00 175.17 175.32 3isb h ASP 92 N 9.06 0.94 0.01 -0.34 3.58 -1.88 -0.75 116.42 127.04 3isb h ASP 92 Ca -0.23 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 3isb h ASP 92 Cb 1.07 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3isb h ASP 92 CO 1.08 0.56 -0.00 0.74 -2.88 0.00 0.00 179.24 178.73 3isb h THR 93 N 1.04 1.42 -0.42 2.25 2.02 -1.95 -2.73 112.91 114.54 3isb h THR 93 Ca 0.45 -1.29 -0.06 0.00 0.77 0.00 0.00 66.41 66.27 3isb h THR 93 Cb 0.33 2.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3isb h THR 93 CO -0.20 0.33 0.01 0.28 0.37 0.00 0.00 175.52 176.32 3isb h SER 94 N -0.57 0.72 -0.11 4.18 0.02 -1.85 -1.55 113.55 114.40 3isb h SER 94 Ca -0.00 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3isb h SER 94 Cb 0.55 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3isb h SER 94 CO 0.00 0.84 -0.04 0.77 -1.14 0.00 0.00 176.83 177.26 3isb h SER 95 N 0.58 0.33 -0.22 3.07 4.64 -1.25 -0.70 113.55 119.99 3isb h SER 95 Ca 0.12 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.19 3isb h SER 95 Cb 0.46 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3isb h SER 95 CO 0.02 0.42 -0.64 0.28 -0.87 0.00 0.00 176.83 176.04 3isb h SER 96 N 0.34 0.95 0.18 4.97 0.02 -1.21 -1.50 113.55 117.30 3isb h SER 96 Ca 0.08 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 3isb h SER 96 Cb 0.30 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3isb h SER 96 CO 0.01 1.36 -0.08 0.40 -1.14 0.00 0.00 176.83 177.38 3isb h ILE 97 N 0.59 0.90 -0.53 3.27 2.04 -0.87 -0.68 117.51 122.23 3isb h ILE 97 Ca -0.02 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.58 3isb h ILE 97 Cb 1.26 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 38.38 3isb h ILE 97 CO 0.14 0.08 -0.01 -1.13 0.00 0.00 0.00 178.15 177.23 3isb h ASN 98 N -0.41 -0.24 -0.04 1.72 -1.24 -1.16 -2.41 115.58 111.80 3isb h ASN 98 Ca -0.02 0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3isb h ASN 98 Cb 0.32 0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.60 3isb h ASN 98 CO 0.04 -0.09 0.02 0.15 -1.29 0.00 0.00 177.43 176.26 3isb h PHE 99 N 0.11 0.05 -0.12 0.67 3.57 -1.07 -3.00 116.94 117.15 3isb h PHE 99 Ca 0.27 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3isb h PHE 99 Cb 0.41 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3isb h PHE 99 CO -0.33 0.09 0.16 -0.07 -2.23 0.00 0.00 178.31 175.93 3isb h LEU 100 N -0.01 0.00 0.00 0.59 3.38 -0.61 -0.43 115.31 118.23 3isb h LEU 100 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3isb h LEU 100 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3isb h LEU 100 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 3isb n THR 101 N -3.64 0.71 0.44 0.22 -2.24 -1.11 -2.13 114.28 106.53 3isb n THR 101 Ca 0.00 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3isb n THR 101 Cb 0.26 -0.89 0.47 0.00 -2.10 0.00 0.00 70.33 68.08 3isb n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3isb n ARG 102 N -1.41 0.20 -2.76 -0.78 1.74 -0.17 -4.55 116.66 108.93 3isb n ARG 102 Ca 0.06 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.09 3isb n ARG 102 Cb 0.17 -1.84 -0.03 0.00 -1.02 0.00 0.00 32.46 29.74 3isb n ARG 102 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3isb s VAL 103 N -3.27 4.77 0.16 1.55 1.01 -0.90 -4.98 120.40 118.74 3isb s VAL 103 Ca 0.05 1.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.56 3isb s VAL 103 Cb 0.10 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.12 3isb s VAL 103 CO 0.42 -0.09 1.73 -0.24 0.00 0.00 0.00 175.10 176.93 3isb n SER 104 N 5.84 3.78 0.00 3.32 2.88 -1.26 -1.39 113.62 126.80 3isb n SER 104 Ca 0.09 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 3isb n SER 104 Cb 0.47 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 3isb n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3isb n GLY 105 N 3.94 2.38 3.53 0.46 0.00 -1.26 -4.06 105.19 110.18 3isb n GLY 105 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3isb n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3isb s ILE 106 N -2.44 5.12 0.00 -0.61 1.01 -0.49 -4.77 121.20 119.02 3isb s ILE 106 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3isb s ILE 106 Cb 0.00 -3.91 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3isb s ILE 106 CO 0.00 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.34 3isb n GLY 107 N 4.97 2.71 0.31 6.18 0.00 -1.26 -4.38 105.19 113.72 3isb n GLY 107 Ca -0.08 -2.10 0.02 0.00 0.00 0.00 0.00 46.02 43.86 3isb n GLY 107 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3isb h PRO 108 N 0.00 0.81 0.34 1.61 0.11 -1.88 -0.53 132.00 132.47 3isb h PRO 108 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3isb h PRO 108 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 3isb h PRO 108 CO 0.00 0.54 -0.17 1.03 -0.21 0.00 0.00 178.00 179.19 3isb h SER 109 N 0.84 -0.39 -0.33 -2.05 0.87 -1.95 -1.13 113.55 109.41 3isb h SER 109 Ca 0.39 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3isb h SER 109 Cb 0.30 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3isb h SER 109 CO -0.22 -0.10 0.16 0.00 -0.53 0.00 0.00 176.83 176.14 3isb h ALA 110 N -0.13 0.42 -0.88 6.23 0.00 -1.92 -1.05 119.26 121.93 3isb h ALA 110 Ca -0.05 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3isb h ALA 110 Cb 0.48 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3isb h ALA 110 CO 0.08 -0.03 0.54 0.00 0.00 0.00 0.00 179.25 179.84 3isb h ALA 111 N 1.02 1.23 -0.11 0.00 0.00 -1.11 0.15 119.26 120.44 3isb h ALA 111 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3isb h ALA 111 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3isb h ALA 111 CO -0.02 0.26 0.03 -0.09 0.00 0.00 0.00 179.25 179.44 3isb h ARG 112 N 0.96 0.17 -0.59 0.00 9.65 -0.88 -1.98 114.38 121.72 3isb h ARG 112 Ca 0.40 -0.04 0.03 0.00 -1.10 0.00 0.00 59.98 59.27 3isb h ARG 112 Cb 0.23 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3isb h ARG 112 CO -0.19 0.32 0.35 0.87 2.80 0.00 0.00 179.97 184.12 3isb h LYS 113 N -0.01 0.67 -0.05 0.20 1.57 -0.33 0.15 116.57 118.78 3isb h LYS 113 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3isb h LYS 113 Cb 0.22 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3isb h LYS 113 CO -0.00 0.45 0.03 0.74 -0.57 0.00 0.00 179.45 180.09 3isb h PHE 114 N 0.69 0.06 -0.91 -1.35 0.04 -0.66 -2.61 116.94 112.20 3isb h PHE 114 Ca 0.24 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 3isb h PHE 114 Cb 0.04 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 3isb h PHE 114 CO -0.06 0.07 0.57 0.28 -0.60 0.00 0.00 178.31 178.57 3isb h VAL 115 N 0.04 1.25 -0.38 -0.55 2.07 -1.08 -0.30 116.25 117.30 3isb h VAL 115 Ca 0.02 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.14 3isb h VAL 115 Cb 0.02 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 3isb h VAL 115 CO -0.00 0.25 0.29 0.44 0.02 0.00 0.00 177.57 178.57 3isb h ASP 116 N 1.25 0.00 -0.35 0.57 3.32 -0.61 -1.92 116.42 118.67 3isb h ASP 116 Ca 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 3isb h ASP 116 Cb -0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 3isb h ASP 116 CO -0.06 0.00 0.00 -1.84 -1.72 0.00 0.00 179.24 175.62 3isb n GLU 117 N -4.29 3.49 0.00 3.56 0.28 -0.60 -4.97 120.64 118.12 3isb n GLU 117 Ca 0.06 -2.94 0.00 0.00 -0.16 0.00 0.00 57.16 54.12 3isb n GLU 117 Cb 0.47 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.37 3isb n GLU 117 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3isb n GLY 118 N -0.19 1.76 3.55 -1.84 0.00 -0.72 -5.02 105.19 102.72 3isb n GLY 118 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3isb n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3isb s ILE 119 N -2.34 4.05 -0.00 -0.61 1.01 -0.22 -4.80 121.20 118.27 3isb s ILE 119 Ca 0.00 0.50 0.01 0.00 0.00 0.00 0.00 60.65 61.16 3isb s ILE 119 Cb 0.00 -4.74 -0.02 0.00 0.01 0.00 0.00 42.46 37.72 3isb s ILE 119 CO 0.00 -1.45 0.02 0.29 0.00 0.00 0.00 174.94 173.80 3isb n LYS 120 N 8.42 1.21 -4.53 2.79 5.02 -1.26 -2.56 118.16 127.24 3isb n LYS 120 Ca 0.04 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.06 3isb n LYS 120 Cb 0.48 -1.03 -0.10 0.00 -0.02 0.00 0.00 35.03 34.36 3isb n LYS 120 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3isb s THR 121 N -2.06 2.15 0.33 -0.18 -4.23 -1.26 -4.75 115.64 105.64 3isb s THR 121 Ca -0.00 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3isb s THR 121 Cb 0.01 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 71.23 3isb s THR 121 CO 0.05 -0.08 1.98 -0.07 -0.54 0.00 0.00 174.62 175.95 3isb h LEU 122 N 1.83 0.77 -0.81 4.79 3.38 -1.99 -1.04 115.31 122.24 3isb h LEU 122 Ca -0.43 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.52 3isb h LEU 122 Cb 1.25 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 3isb h LEU 122 CO 0.76 0.59 0.52 -0.33 0.09 0.00 0.00 178.44 180.07 3isb h GLU 123 N 0.89 1.01 -0.44 1.13 3.07 -2.00 -0.92 114.58 117.32 3isb h GLU 123 Ca 0.23 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.95 3isb h GLU 123 Cb -0.04 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.62 3isb h GLU 123 CO -0.04 0.67 -0.07 -0.44 -1.40 0.00 0.00 179.01 177.72 3isb h ASP 124 N 1.04 0.73 -0.37 1.42 3.32 -1.61 -2.63 116.42 118.31 3isb h ASP 124 Ca 0.31 -0.20 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3isb h ASP 124 Cb -0.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3isb h ASP 124 CO -0.10 0.84 0.04 -0.07 -1.72 0.00 0.00 179.24 178.24 3isb h LEU 125 N 0.69 0.61 -1.74 1.55 3.38 -0.66 -2.32 115.31 116.83 3isb h LEU 125 Ca 0.13 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3isb h LEU 125 Cb 0.52 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3isb h LEU 125 CO 0.03 0.73 0.30 0.03 0.09 0.00 0.00 178.44 179.62 3isb h ARG 126 N 0.47 0.31 0.00 1.13 3.08 -0.94 0.29 114.38 118.71 3isb h ARG 126 Ca 0.11 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3isb h ARG 126 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3isb h ARG 126 CO 0.01 0.20 -0.01 0.87 -1.07 0.00 0.00 179.97 179.97 3isb h LYS 127 N 0.32 0.00 -1.88 0.04 1.57 -1.12 -3.35 116.57 112.15 3isb h LYS 127 Ca 0.20 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.38 3isb h LYS 127 Cb 0.37 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.27 3isb h LYS 127 CO -0.04 0.00 -0.65 0.09 -0.57 0.00 0.00 179.45 178.28 3isb n ASN 128 N -2.43 4.67 -0.13 0.86 3.02 0.09 -4.89 115.26 116.46 3isb n ASN 128 Ca 0.05 -3.71 -0.04 0.00 -0.03 0.00 0.00 54.58 50.85 3isb n ASN 128 Cb 0.45 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 39.14 3isb n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3isb h GLU 129 N 2.78 0.16 0.00 3.52 4.81 -1.70 -2.16 114.58 122.00 3isb h GLU 129 Ca 0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3isb h GLU 129 Cb 0.71 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.05 3isb h GLU 129 CO 0.85 0.11 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 3isb n ASP 130 N -5.14 0.00 -0.79 1.04 5.68 -1.26 -0.76 116.55 115.32 3isb n ASP 130 Ca 0.03 0.42 0.13 0.00 -0.50 0.00 0.00 54.79 54.86 3isb n ASP 130 Cb 0.20 -0.43 0.26 0.00 -1.14 0.00 0.00 41.12 40.01 3isb n ASP 130 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3isb n LYS 131 N -1.43 2.10 -4.36 0.11 5.02 -0.81 -4.90 118.16 113.88 3isb n LYS 131 Ca 0.01 -1.60 -0.34 0.00 -2.02 0.00 0.00 58.31 54.37 3isb n LYS 131 Cb 0.04 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.47 3isb n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3isb s LEU 132 N -1.96 3.42 0.00 -0.35 1.02 0.06 -5.12 118.68 115.75 3isb s LEU 132 Ca 0.32 -0.01 -0.16 0.00 0.02 0.00 0.00 54.13 54.30 3isb s LEU 132 Cb 0.20 -1.81 0.24 0.00 0.02 0.00 0.00 46.19 44.84 3isb s LEU 132 CO 0.31 0.25 1.05 -0.46 0.02 0.00 0.00 176.35 177.53 3isb n ASN 133 N 3.00 -1.02 0.00 2.29 0.23 -1.26 -4.74 115.26 113.76 3isb n ASN 133 Ca -0.18 -1.24 -0.11 0.00 -0.53 0.00 0.00 54.58 52.52 3isb n ASN 133 Cb 0.53 -0.89 -0.06 0.00 -2.08 0.00 0.00 39.78 37.28 3isb n ASN 133 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 3isb h HIS 134 N -2.17 0.10 -0.21 -2.53 -0.00 -1.97 -2.01 115.15 106.36 3isb h HIS 134 Ca -0.37 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.04 3isb h HIS 134 Cb 1.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.42 3isb h HIS 134 CO 0.00 0.09 0.01 1.25 -0.00 0.00 0.00 177.93 179.28 3isb h HIS 135 N 0.08 0.00 -0.81 5.26 -0.00 -1.90 -2.16 115.15 115.63 3isb h HIS 135 Ca 0.03 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.44 3isb h HIS 135 Cb 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 3isb h HIS 135 CO -0.06 -0.02 0.54 1.96 -0.00 0.00 0.00 177.93 180.34 3isb h GLN 136 N 0.08 0.99 -0.65 5.26 4.20 -1.70 0.88 115.11 124.17 3isb h GLN 136 Ca 0.10 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3isb h GLN 136 Cb 0.12 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3isb h GLN 136 CO -0.16 0.66 0.08 0.00 -0.67 0.00 0.00 178.83 178.74 3isb h ARG 137 N 1.02 1.08 -0.42 1.46 3.08 -0.90 -0.87 114.38 118.83 3isb h ARG 137 Ca 0.32 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3isb h ARG 137 Cb 0.00 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 3isb h ARG 137 CO -0.09 1.00 0.03 0.82 -1.07 0.00 0.00 179.97 180.66 3isb h ILE 138 N 1.00 1.25 -0.47 2.04 1.08 -0.68 -0.28 117.51 121.46 3isb h ILE 138 Ca 0.19 -0.96 -0.02 0.00 -0.39 0.00 0.00 64.86 63.69 3isb h ILE 138 Cb 0.46 1.06 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 3isb h ILE 138 CO 0.02 0.33 0.22 1.23 -0.69 0.00 0.00 178.15 179.25 3isb h GLY 139 N 0.56 0.70 0.61 5.37 0.00 -0.58 -2.05 103.07 107.67 3isb h GLY 139 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3isb h GLY 139 CO 0.02 0.30 -0.13 -2.00 0.00 0.00 0.00 176.54 174.73 3isb h LEU 140 N 0.66 0.24 -1.18 3.11 5.85 -0.88 -1.55 115.31 121.56 3isb h LEU 140 Ca 0.16 -0.56 0.09 0.00 0.84 0.00 0.00 57.88 58.42 3isb h LEU 140 Cb 0.08 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 3isb h LEU 140 CO -0.02 0.75 0.58 0.50 -0.34 0.00 0.00 178.44 179.91 3isb h LYS 141 N -0.26 0.89 -0.39 1.25 3.64 -0.79 -2.51 116.57 118.40 3isb h LYS 141 Ca 0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 3isb h LYS 141 Cb 0.71 -0.20 -0.09 0.00 -0.41 0.00 0.00 32.23 32.24 3isb h LYS 141 CO 0.03 0.59 0.03 0.66 -2.27 0.00 0.00 179.45 178.48 3isb n TYR 142 N -4.53 1.27 -0.22 1.91 4.01 -0.79 -4.78 117.16 114.02 3isb n TYR 142 Ca 0.15 -1.37 -0.05 0.00 -0.16 0.00 0.00 57.90 56.47 3isb n TYR 142 Cb 0.29 -0.48 0.01 0.00 -0.31 0.00 0.00 39.34 38.85 3isb n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 3isb h PHE 143 N 1.33 -0.93 -0.01 -0.72 3.57 -0.80 0.74 116.94 120.11 3isb h PHE 143 Ca 0.19 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3isb h PHE 143 Cb 1.73 0.50 -0.00 0.00 2.79 0.00 0.00 35.95 40.97 3isb h PHE 143 CO 0.92 -0.38 0.00 0.78 -2.23 0.00 0.00 178.31 177.40 3isb h GLY 144 N -0.14 0.02 0.80 2.40 0.00 -1.86 -3.12 103.07 101.16 3isb h GLY 144 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.60 3isb h GLY 144 CO -0.71 0.01 0.35 -0.55 0.00 0.00 0.00 176.54 175.64 3isb h ASP 145 N -0.22 0.55 0.06 0.19 3.32 -1.72 -2.41 116.42 116.19 3isb h ASP 145 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3isb h ASP 145 Cb 0.24 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3isb h ASP 145 CO 0.00 0.38 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.60 3isb h PHE 146 N 0.68 0.00 -0.00 4.55 -1.00 -0.89 -1.68 116.94 118.60 3isb h PHE 146 Ca 0.25 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.03 3isb h PHE 146 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 3isb h PHE 146 CO -0.07 0.04 -0.13 0.39 -1.61 0.00 0.00 178.31 176.93 3isb n GLU 147 N -4.17 0.58 -3.07 1.51 1.02 -0.91 -4.85 120.64 110.75 3isb n GLU 147 Ca -0.03 -0.20 -0.34 0.00 -0.02 0.00 0.00 57.16 56.58 3isb n GLU 147 Cb 0.13 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.99 3isb n GLU 147 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3isb s LYS 148 N -2.56 4.13 0.62 3.49 1.02 -0.63 -5.07 119.74 120.74 3isb s LYS 148 Ca 0.26 0.82 -0.07 0.00 0.02 0.00 0.00 55.97 57.00 3isb s LYS 148 Cb 0.20 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 3isb s LYS 148 CO 0.50 0.20 0.94 1.03 -0.92 0.00 0.00 175.35 177.10 3isb s ARG 149 N -2.70 2.80 -0.29 1.68 0.52 -1.26 -4.91 118.95 114.77 3isb s ARG 149 Ca 0.52 0.00 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 3isb s ARG 149 Cb -0.12 -2.23 0.02 0.00 0.52 0.00 0.00 34.95 33.14 3isb s ARG 149 CO 0.18 -0.82 0.05 0.42 0.02 0.00 0.00 175.30 175.15 3isb s ILE 150 N -3.07 3.66 0.34 1.52 1.01 0.30 -4.93 121.20 120.02 3isb s ILE 150 Ca 0.55 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 3isb s ILE 150 Cb -0.11 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 3isb s ILE 150 CO 0.46 0.04 1.38 -2.16 0.00 0.00 0.00 174.94 174.66 3isb s PRO 151 N 1.43 4.27 0.44 2.79 0.04 -1.26 -0.16 135.00 142.55 3isb s PRO 151 Ca 0.01 2.34 0.23 0.00 0.04 0.00 0.00 61.00 63.62 3isb s PRO 151 Cb -0.18 -3.04 1.23 0.00 0.04 0.00 0.00 34.50 32.55 3isb s PRO 151 CO 0.01 -0.32 1.80 -0.09 0.04 0.00 0.00 177.00 178.43 3isb h ARG 152 N 3.46 0.27 -0.38 4.56 2.43 -1.30 0.20 114.38 123.62 3isb h ARG 152 Ca -0.49 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.63 3isb h ARG 152 Cb 1.23 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 3isb h ARG 152 CO 0.66 0.18 0.10 1.49 -1.51 0.00 0.00 179.97 180.90 3isb h GLU 153 N 0.28 0.55 0.00 0.20 4.57 -1.90 -0.50 114.58 117.79 3isb h GLU 153 Ca 0.56 -0.09 -0.19 0.00 -1.18 0.00 0.00 59.36 58.46 3isb h GLU 153 Cb 1.64 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 30.11 3isb h GLU 153 CO -0.20 0.50 -0.91 0.93 -1.18 0.00 0.00 179.01 178.16 3isb h GLU 154 N 0.55 0.01 -0.57 1.92 5.08 -0.98 -2.80 114.58 117.78 3isb h GLU 154 Ca 0.13 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3isb h GLU 154 Cb 0.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3isb h GLU 154 CO -0.01 0.91 -0.05 0.52 -1.00 0.00 0.00 179.01 179.39 3isb h MET 155 N 0.00 1.03 -0.58 2.33 2.86 -0.71 0.72 114.93 120.58 3isb h MET 155 Ca -0.01 -0.35 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 3isb h MET 155 Cb 1.60 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 3isb h MET 155 CO 0.12 1.04 0.17 -0.07 1.06 0.00 0.00 176.91 179.22 3isb h LEU 156 N 0.93 0.86 -0.97 1.22 3.38 -1.09 0.38 115.31 120.03 3isb h LEU 156 Ca 0.16 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3isb h LEU 156 Cb 0.60 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3isb h LEU 156 CO 0.04 0.85 0.01 1.56 0.09 0.00 0.00 178.44 180.99 3isb h GLN 157 N 0.83 0.76 -0.36 1.13 4.20 -1.22 0.23 115.11 120.68 3isb h GLN 157 Ca 0.19 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3isb h GLN 157 Cb 0.31 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3isb h GLN 157 CO -0.00 0.76 -0.13 0.52 -0.67 0.00 0.00 178.83 179.31 3isb h MET 158 N 0.71 0.72 -0.72 1.46 2.86 -0.29 -2.69 114.93 116.99 3isb h MET 158 Ca 0.14 -0.30 -0.02 0.00 -2.06 0.00 0.00 59.70 57.47 3isb h MET 158 Cb 0.42 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3isb h MET 158 CO 0.02 0.90 0.38 0.37 1.06 0.00 0.00 176.91 179.63 3isb h GLN 159 N 0.51 1.01 -0.31 1.72 4.15 0.12 -1.64 115.11 120.68 3isb h GLN 159 Ca 0.09 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.44 3isb h GLN 159 Cb 0.65 -0.19 -0.06 0.00 0.21 0.00 0.00 27.48 28.09 3isb h GLN 159 CO 0.04 0.77 -0.10 -0.44 -1.93 0.00 0.00 178.83 177.17 3isb h ASP 160 N 0.99 -0.36 -0.21 -0.69 3.32 -0.81 0.39 116.42 119.05 3isb h ASP 160 Ca 0.25 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 3isb h ASP 160 Cb 0.06 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3isb h ASP 160 CO -0.04 -0.13 0.10 0.40 -1.72 0.00 0.00 179.24 177.85 3isb h ILE 161 N -0.04 1.14 -0.30 0.35 2.04 -1.13 -2.03 117.51 117.54 3isb h ILE 161 Ca 0.15 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.61 3isb h ILE 161 Cb 0.27 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3isb h ILE 161 CO -0.34 0.14 0.19 0.58 0.00 0.00 0.00 178.15 178.72 3isb h VAL 162 N 0.21 1.06 -0.48 1.67 2.07 -0.87 -1.11 116.25 118.80 3isb h VAL 162 Ca 0.07 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3isb h VAL 162 Cb 0.13 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3isb h VAL 162 CO -0.01 0.07 0.02 -0.07 0.02 0.00 0.00 177.57 177.60 3isb h LEU 163 N 0.39 0.81 0.05 2.57 3.38 -0.92 -1.60 115.31 119.98 3isb h LEU 163 Ca 0.11 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3isb h LEU 163 Cb -0.03 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3isb h LEU 163 CO -0.04 0.91 -0.02 -1.13 0.09 0.00 0.00 178.44 178.25 3isb h ASN 164 N 0.69 -0.05 -0.69 -0.43 -1.24 -1.22 -1.94 115.58 110.70 3isb h ASN 164 Ca 0.14 -0.15 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 3isb h ASN 164 Cb 0.48 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 3isb h ASN 164 CO 0.02 0.12 0.18 -0.33 -1.29 0.00 0.00 177.43 176.13 3isb h GLU 165 N -0.22 1.09 0.00 6.67 4.39 -1.20 -0.68 114.58 124.63 3isb h GLU 165 Ca -0.01 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.45 3isb h GLU 165 Cb 0.20 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3isb h GLU 165 CO 0.01 0.97 -0.07 0.28 -1.16 0.00 0.00 179.01 179.03 3isb h VAL 166 N 1.03 0.81 -0.10 3.13 2.07 -1.25 -1.34 116.25 120.58 3isb h VAL 166 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 3isb h VAL 166 Cb 0.36 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3isb h VAL 166 CO 0.00 0.00 0.01 0.50 0.02 0.00 0.00 177.57 178.10 3isb h LYS 167 N -0.13 0.14 -0.26 1.57 3.64 -1.13 -1.38 116.57 119.02 3isb h LYS 167 Ca 0.03 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 3isb h LYS 167 Cb 0.17 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3isb h LYS 167 CO -0.07 0.15 -0.25 -0.22 -2.27 0.00 0.00 179.45 176.79 3isb h LYS 168 N 0.14 0.51 -0.14 1.90 3.64 -0.23 -2.72 116.57 119.67 3isb h LYS 168 Ca 0.04 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 3isb h LYS 168 Cb 0.09 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3isb h LYS 168 CO 0.00 0.72 -0.18 0.28 -2.27 0.00 0.00 179.45 177.99 3isb h VAL 169 N 0.45 1.36 -1.35 2.00 2.07 -0.21 -3.44 116.25 117.12 3isb h VAL 169 Ca 0.06 -1.39 0.10 0.00 0.82 0.00 0.00 66.70 66.30 3isb h VAL 169 Cb 0.68 1.94 -0.21 0.00 -1.52 0.00 0.00 31.29 32.18 3isb h VAL 169 CO 0.05 0.41 -0.16 -0.62 0.02 0.00 0.00 177.57 177.27 3isb s ASP 170 N -6.20 -1.19 0.00 0.57 -1.08 -0.94 -5.03 116.67 102.81 3isb s ASP 170 Ca -0.14 1.11 0.05 0.00 -0.52 0.00 0.00 52.55 53.05 3isb s ASP 170 Cb 0.05 2.14 0.25 0.00 -1.46 0.00 0.00 42.92 43.90 3isb s ASP 170 CO 0.76 -0.22 1.06 -1.54 0.52 0.00 0.00 175.17 175.75 3isb n SER 171 N 5.41 0.00 0.07 -0.34 3.41 -1.03 -1.59 113.62 119.55 3isb n SER 171 Ca -0.06 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3isb n SER 171 Cb 0.50 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.27 3isb n SER 171 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3isb h GLU 172 N 0.00 0.00 -7.20 4.33 5.08 -1.92 -3.47 114.58 111.40 3isb h GLU 172 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3isb h GLU 172 Cb 0.06 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.50 3isb h GLU 172 CO 0.00 0.00 0.33 0.66 -1.00 0.00 0.00 179.01 179.00 3isb n TYR 173 N -2.21 1.27 -4.08 4.33 4.01 -0.62 -4.50 117.16 115.35 3isb n TYR 173 Ca 0.03 0.41 -0.25 0.00 -0.16 0.00 0.00 57.90 57.93 3isb n TYR 173 Cb 0.45 -2.11 -0.17 0.00 -0.31 0.00 0.00 39.34 37.21 3isb n TYR 173 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3isb s ILE 174 N -2.13 0.93 -0.02 -0.72 1.01 -0.44 -4.94 121.20 114.89 3isb s ILE 174 Ca 0.73 -0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.16 3isb s ILE 174 Cb -0.29 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 3isb s ILE 174 CO 0.51 0.34 -0.15 0.00 0.00 0.00 0.00 174.94 175.63 3isb s ALA 175 N 1.40 1.31 -0.06 9.38 0.00 -1.26 -1.31 121.76 131.21 3isb s ALA 175 Ca -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 3isb s ALA 175 Cb -0.13 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.65 3isb s ALA 175 CO -0.04 0.30 0.00 0.99 0.00 0.00 0.00 175.76 177.01 3isb s THR 176 N -0.24 0.33 -0.26 0.00 2.01 -0.00 -4.98 115.64 112.50 3isb s THR 176 Ca 0.03 0.12 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 3isb s THR 176 Cb -0.07 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 71.96 3isb s THR 176 CO 0.00 0.24 0.90 -0.69 -0.69 0.00 0.00 174.62 174.38 3isb s VAL 177 N 1.79 4.75 0.00 3.82 1.01 -1.26 -1.08 120.40 129.42 3isb s VAL 177 Ca 0.02 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.63 3isb s VAL 177 Cb -0.13 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.05 3isb s VAL 177 CO -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 175.10 174.88 3isb n GLY 179 N 5.00 -1.83 0.38 0.00 0.00 0.20 -3.31 105.19 105.63 3isb n GLY 179 Ca 0.00 -1.31 0.20 0.00 0.00 0.00 0.00 46.02 44.91 3isb n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3isb h SER 180 N -0.17 0.00 -0.70 1.61 4.64 -1.86 -0.27 113.55 116.78 3isb h SER 180 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3isb h SER 180 Cb 0.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.20 3isb h SER 180 CO 0.00 0.00 0.38 0.15 -0.87 0.00 0.00 176.83 176.49 3isb h PHE 181 N 0.00 0.69 0.00 4.77 3.57 -1.86 0.11 116.94 124.22 3isb h PHE 181 Ca 0.25 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 3isb h PHE 181 Cb 0.99 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3isb h PHE 181 CO 0.00 0.30 -0.26 -0.09 -2.23 0.00 0.00 178.31 176.03 3isb h ARG 182 N 0.67 0.00 -0.00 1.11 2.43 -1.04 -1.07 114.38 116.49 3isb h ARG 182 Ca 0.33 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3isb h ARG 182 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3isb h ARG 182 CO -0.22 0.26 -0.08 0.54 -1.51 0.00 0.00 179.97 178.96 3isb n ARG 183 N -3.83 0.51 -0.00 0.20 1.74 0.26 -4.52 116.66 111.01 3isb n ARG 183 Ca -0.02 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 3isb n ARG 183 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3isb n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3isb n GLY 184 N 1.31 1.00 3.59 -0.13 0.00 -0.35 -3.86 105.19 106.74 3isb n GLY 184 Ca 0.14 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3isb n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3isb n ALA 185 N -2.00 -0.06 0.80 4.61 0.00 -0.47 -4.86 120.51 118.53 3isb n ALA 185 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.69 3isb n ALA 185 Cb 0.00 -2.04 0.51 0.00 0.00 0.00 0.00 19.45 17.92 3isb n ALA 185 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3isb n GLU 186 N -0.20 0.04 -3.52 0.00 -0.58 -1.26 -4.72 120.64 110.41 3isb n GLU 186 Ca 0.11 0.11 -0.13 0.00 -0.42 0.00 0.00 57.16 56.83 3isb n GLU 186 Cb 0.43 -1.56 -0.04 0.00 -0.57 0.00 0.00 31.44 29.70 3isb n GLU 186 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3isb s SER 187 N -3.25 -0.47 0.12 1.62 1.04 -1.26 -0.90 113.70 110.60 3isb s SER 187 Ca 0.11 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.60 3isb s SER 187 Cb 0.15 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 3isb s SER 187 CO 0.47 -0.84 -0.04 -0.44 0.98 0.00 0.00 173.24 173.36 3isb s SER 188 N -2.41 1.11 0.10 7.02 0.01 0.78 -4.79 113.70 115.53 3isb s SER 188 Ca -0.01 -1.05 0.23 0.00 1.31 0.00 0.00 55.95 56.42 3isb s SER 188 Cb -0.00 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.36 3isb s SER 188 CO -0.08 -0.50 1.00 0.61 0.41 0.00 0.00 173.24 174.68 3isb n GLY 189 N -0.09 -1.30 1.25 3.44 0.00 -1.26 0.11 105.19 107.35 3isb n GLY 189 Ca -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.57 3isb n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3isb n ASP 190 N -2.27 -0.49 -4.09 1.61 5.68 -1.26 -4.74 116.55 110.99 3isb n ASP 190 Ca 0.01 -1.20 -0.31 0.00 -0.50 0.00 0.00 54.79 52.78 3isb n ASP 190 Cb 0.49 0.78 -0.16 0.00 -1.14 0.00 0.00 41.12 41.09 3isb n ASP 190 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 3isb s MET 191 N -2.01 2.65 -0.28 0.11 1.75 -0.60 -4.99 119.30 115.92 3isb s MET 191 Ca 0.08 -0.70 -0.04 0.00 -1.25 0.00 0.00 55.69 53.78 3isb s MET 191 Cb -0.01 -2.27 0.03 0.00 2.84 0.00 0.00 34.83 35.42 3isb s MET 191 CO 0.01 -0.14 0.01 0.34 -0.65 0.00 0.00 175.02 174.59 3isb s ASP 192 N 1.17 4.79 -0.15 1.11 2.15 -1.26 -0.67 116.67 123.81 3isb s ASP 192 Ca -0.00 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.04 3isb s ASP 192 Cb -0.14 -1.77 -0.02 0.00 -0.30 0.00 0.00 42.92 40.69 3isb s ASP 192 CO -0.07 -0.19 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.97 3isb s VAL 193 N 1.38 3.49 -0.19 1.11 1.01 -0.04 -1.07 120.40 126.09 3isb s VAL 193 Ca -0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3isb s VAL 193 Cb -0.18 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3isb s VAL 193 CO -0.01 0.50 0.05 -0.76 0.00 0.00 0.00 175.10 174.88 3isb s LEU 194 N 0.49 3.66 0.11 3.92 1.02 -0.24 -0.91 118.68 126.73 3isb s LEU 194 Ca -0.06 -0.00 0.08 0.00 0.02 0.00 0.00 54.13 54.17 3isb s LEU 194 Cb -0.15 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 3isb s LEU 194 CO 0.03 0.14 -0.21 -0.22 0.02 0.00 0.00 176.35 176.12 3isb s LEU 195 N 0.56 2.31 0.23 1.79 2.96 0.11 -0.82 118.68 125.82 3isb s LEU 195 Ca 0.02 -0.70 -0.18 0.00 -0.22 0.00 0.00 54.13 53.05 3isb s LEU 195 Cb -0.13 -0.87 0.02 0.00 0.50 0.00 0.00 46.19 45.71 3isb s LEU 195 CO 0.01 0.05 0.59 0.28 -1.32 0.00 0.00 176.35 175.96 3isb s THR 196 N -1.24 0.01 -0.16 3.68 -1.32 -0.43 -0.81 115.64 115.38 3isb s THR 196 Ca 0.07 -0.93 -0.10 0.00 -1.21 0.00 0.00 61.69 59.52 3isb s THR 196 Cb -0.10 -1.81 0.05 0.00 -1.51 0.00 0.00 72.50 69.13 3isb s THR 196 CO 0.04 -0.05 0.39 -2.28 -2.21 0.00 0.00 174.62 170.51 3isb s HIS 197 N -3.91 -0.54 0.57 9.09 2.46 -1.26 -1.32 115.29 120.38 3isb s HIS 197 Ca 0.12 1.18 0.33 0.00 0.47 0.00 0.00 55.06 57.16 3isb s HIS 197 Cb -0.03 0.22 1.42 0.00 -0.13 0.00 0.00 32.58 34.06 3isb s HIS 197 CO 0.02 -0.30 1.72 -1.00 -2.47 0.00 0.00 174.74 172.71 3isb h PRO 198 N 6.83 0.00 0.00 2.88 0.13 -1.98 0.35 132.00 140.21 3isb h PRO 198 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3isb h PRO 198 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3isb h PRO 198 CO 0.30 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.94 3isb n SER 199 N -3.83 0.00 -4.14 1.44 3.41 -1.26 -4.58 113.62 104.66 3isb n SER 199 Ca 0.21 0.36 -0.35 0.00 -0.26 0.00 0.00 58.87 58.83 3isb n SER 199 Cb 1.17 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 64.55 3isb n SER 199 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3isb s PHE 200 N -2.89 3.46 0.43 7.33 5.36 0.12 -4.75 117.98 127.05 3isb s PHE 200 Ca 0.14 -2.21 0.04 0.00 -0.96 0.00 0.00 56.93 53.94 3isb s PHE 200 Cb 0.15 -2.73 -0.05 0.00 -0.34 0.00 0.00 43.02 40.05 3isb s PHE 200 CO 0.40 -0.90 0.03 0.95 -1.46 0.00 0.00 175.22 174.24 3isb s THR 201 N 1.18 1.44 0.40 0.12 -4.23 -1.26 -0.24 115.64 113.05 3isb s THR 201 Ca 0.03 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 3isb s THR 201 Cb -0.21 -2.61 0.28 0.00 1.34 0.00 0.00 72.50 71.30 3isb s THR 201 CO -0.03 0.00 2.03 0.28 -0.54 0.00 0.00 174.62 176.36 3isb h SER 202 N 1.68 0.49 -1.32 3.99 0.02 -1.96 -2.98 113.55 113.47 3isb h SER 202 Ca -0.43 -0.01 -0.59 0.00 -0.84 0.00 0.00 61.79 59.92 3isb h SER 202 Cb 1.27 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 63.28 3isb h SER 202 CO 0.74 0.34 -0.60 -0.62 -1.14 0.00 0.00 176.83 175.55 3isb n GLU 203 N -4.47 3.42 0.00 3.45 4.71 -1.26 -5.15 120.64 121.34 3isb n GLU 203 Ca 0.05 -4.32 0.00 0.00 -0.01 0.00 0.00 57.16 52.88 3isb n GLU 203 Cb 0.13 -2.26 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 3isb n GLU 203 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3isb n SER 204 N -0.56 0.00 -4.53 1.62 2.88 -1.13 -5.21 113.62 106.70 3isb n SER 204 Ca 0.42 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.62 3isb n SER 204 Cb 0.72 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.07 3isb n SER 204 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3isb s GLN 207 N 2.85 3.59 0.00 -1.46 1.11 -1.26 -4.61 119.66 119.88 3isb s GLN 207 Ca 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 55.36 54.87 3isb s GLN 207 Cb 0.00 -2.91 0.00 0.00 -1.01 0.00 0.00 33.01 29.09 3isb s GLN 207 CO 0.00 0.31 0.35 -2.30 0.01 0.00 0.00 175.29 173.65 3isb n PRO 208 N 3.34 0.60 0.00 2.91 -0.02 -1.26 -2.88 135.00 137.68 3isb n PRO 208 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 3isb n PRO 208 Cb 0.53 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3isb n PRO 208 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3isb n LYS 209 N 0.09 2.34 -0.20 -0.52 4.76 -1.26 -4.73 118.16 118.65 3isb n LYS 209 Ca 0.00 -0.18 -0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3isb n LYS 209 Cb 0.12 -0.62 0.10 0.00 -1.84 0.00 0.00 35.03 32.80 3isb n LYS 209 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3isb h LEU 210 N 0.00 0.15 -0.08 -0.35 3.38 -1.88 0.11 115.31 116.64 3isb h LEU 210 Ca 0.00 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3isb h LEU 210 Cb 0.06 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3isb h LEU 210 CO 0.00 0.09 -0.23 0.25 0.09 0.00 0.00 178.44 178.64 3isb h LEU 211 N 0.35 0.34 -0.72 1.67 5.85 -1.85 -3.23 115.31 117.72 3isb h LEU 211 Ca 0.30 -0.60 0.11 0.00 0.84 0.00 0.00 57.88 58.53 3isb h LEU 211 Cb 0.40 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3isb h LEU 211 CO -0.33 0.89 0.33 -0.74 -0.34 0.00 0.00 178.44 178.24 3isb h HIS 212 N -0.19 0.58 -0.68 1.25 2.76 -1.73 -1.21 115.15 115.92 3isb h HIS 212 Ca -0.01 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.27 3isb h HIS 212 Cb 0.85 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.60 3isb h HIS 212 CO 0.12 0.16 0.35 1.96 -1.30 0.00 0.00 177.93 179.22 3isb h GLN 213 N 0.53 0.60 -0.18 5.26 4.20 -0.85 0.11 115.11 124.79 3isb h GLN 213 Ca 0.37 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.98 3isb h GLN 213 Cb 0.47 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3isb h GLN 213 CO -0.32 0.40 -0.15 0.28 -0.67 0.00 0.00 178.83 178.36 3isb h VAL 214 N 0.62 1.33 -0.87 -0.54 2.07 -1.36 -2.34 116.25 115.17 3isb h VAL 214 Ca 0.32 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3isb h VAL 214 Cb 0.29 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3isb h VAL 214 CO -0.23 0.39 0.51 0.58 0.02 0.00 0.00 177.57 178.84 3isb h VAL 215 N 0.07 1.24 -0.52 2.57 2.07 -0.99 -1.91 116.25 118.79 3isb h VAL 215 Ca 0.03 -0.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3isb h VAL 215 Cb 0.68 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3isb h VAL 215 CO 0.04 0.26 0.19 -0.08 0.02 0.00 0.00 177.57 178.00 3isb h GLU 216 N 1.20 0.78 -0.63 1.57 4.81 -0.74 -1.39 114.58 120.18 3isb h GLU 216 Ca 0.31 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3isb h GLU 216 Cb -0.03 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3isb h GLU 216 CO -0.06 0.70 0.12 0.37 -0.73 0.00 0.00 179.01 179.41 3isb h GLN 217 N 0.70 1.02 -0.01 1.92 5.75 -1.18 0.02 115.11 123.32 3isb h GLN 217 Ca 0.17 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 3isb h GLN 217 Cb 0.22 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3isb h GLN 217 CO -0.01 0.93 -0.31 -0.07 -2.65 0.00 0.00 178.83 176.72 3isb h LEU 218 N 0.96 0.02 0.01 -2.39 3.38 -1.05 -2.26 115.31 113.97 3isb h LEU 218 Ca 0.20 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.89 3isb h LEU 218 Cb 0.40 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 3isb h LEU 218 CO 0.01 0.33 -1.11 1.56 0.09 0.00 0.00 178.44 179.31 3isb h GLN 219 N 0.02 0.57 -0.58 1.13 4.20 -0.70 -0.60 115.11 119.13 3isb h GLN 219 Ca -0.00 -0.69 -0.01 0.00 0.06 0.00 0.00 58.65 58.01 3isb h GLN 219 Cb 0.56 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 3isb h GLN 219 CO 0.04 1.28 0.32 -0.22 -0.67 0.00 0.00 178.83 179.58 3isb h LYS 220 N 0.29 0.80 -0.29 1.46 3.64 -0.60 0.47 116.57 122.34 3isb h LYS 220 Ca -0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3isb h LYS 220 Cb 1.77 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 3isb h LYS 220 CO 0.21 0.59 0.00 1.33 -2.27 0.00 0.00 179.45 179.31 3isb n VAL 221 N -4.39 0.38 -2.48 2.00 0.24 -0.89 -4.92 118.33 108.27 3isb n VAL 221 Ca 0.05 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.34 61.77 3isb n VAL 221 Cb 0.10 0.21 -0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3isb n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3isb n HIS 222 N 0.36 -1.18 -0.08 6.34 8.25 0.15 -4.90 115.22 124.16 3isb n HIS 222 Ca 0.11 0.06 -0.15 0.00 -0.26 0.00 0.00 57.72 57.47 3isb n HIS 222 Cb 0.26 -3.79 -0.11 0.00 1.12 0.00 0.00 29.99 27.48 3isb n HIS 222 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3isb h PHE 223 N -0.15 0.00 -3.31 4.41 3.57 -1.34 -3.44 116.94 116.68 3isb h PHE 223 Ca -0.46 0.00 -0.56 0.00 3.53 0.00 0.00 57.97 60.48 3isb h PHE 223 Cb 1.34 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 3isb h PHE 223 CO 0.59 1.02 0.40 0.42 -2.23 0.00 0.00 178.31 178.51 3isb s ILE 224 N -2.21 4.87 -0.07 1.41 1.01 -0.94 -1.29 121.20 123.99 3isb s ILE 224 Ca -0.20 1.82 0.12 0.00 0.00 0.00 0.00 60.65 62.38 3isb s ILE 224 Cb 0.01 -4.21 -0.18 0.00 0.01 0.00 0.00 42.46 38.08 3isb s ILE 224 CO 0.56 0.08 0.17 0.35 0.00 0.00 0.00 174.94 176.10 3isb n THR 225 N 4.38 0.41 -3.78 2.92 -2.24 0.31 -4.49 114.28 111.80 3isb n THR 225 Ca 0.05 -0.41 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 3isb n THR 225 Cb 0.50 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.43 3isb n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3isb s ASP 226 N -4.01 -0.01 -0.12 3.42 1.01 -1.17 -4.98 116.67 110.81 3isb s ASP 226 Ca -0.05 -0.49 0.02 0.00 0.71 0.00 0.00 52.55 52.73 3isb s ASP 226 Cb 0.06 0.37 0.02 0.00 1.01 0.00 0.00 42.92 44.38 3isb s ASP 226 CO 0.53 -0.74 -0.16 -0.89 0.21 0.00 0.00 175.17 174.12 3isb s THR 227 N -3.61 1.58 -0.09 -1.27 2.01 -1.26 -1.02 115.64 111.98 3isb s THR 227 Ca 0.03 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 3isb s THR 227 Cb 0.03 -1.45 -0.28 0.00 0.01 0.00 0.00 72.50 70.81 3isb s THR 227 CO -0.10 0.46 0.49 -0.07 -0.69 0.00 0.00 174.62 174.71 3isb h LEU 228 N 7.53 0.49 -7.00 4.42 3.38 -0.26 -3.47 115.31 120.40 3isb h LEU 228 Ca -0.33 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 56.73 3isb h LEU 228 Cb 1.17 -0.16 -0.19 0.00 0.09 0.00 0.00 40.66 41.57 3isb h LEU 228 CO 0.51 1.82 0.36 -0.94 0.09 0.00 0.00 178.44 180.28 3isb s SER 229 N -7.13 -0.50 -0.29 -0.43 1.04 -0.67 -4.70 113.70 101.02 3isb s SER 229 Ca -0.20 0.40 -0.13 0.00 0.48 0.00 0.00 55.95 56.50 3isb s SER 229 Cb 0.06 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.73 3isb s SER 229 CO 0.80 -0.57 0.68 -0.75 0.98 0.00 0.00 173.24 174.38 3isb s LYS 230 N -1.84 0.64 0.00 4.02 2.20 -1.26 -0.93 119.74 122.56 3isb s LYS 230 Ca -0.04 1.31 0.00 0.00 -0.36 0.00 0.00 55.97 56.88 3isb s LYS 230 Cb -0.00 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 3isb s LYS 230 CO 0.01 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 3isb n GLY 231 N 4.82 5.95 0.18 5.54 0.00 -0.48 -5.01 105.19 116.18 3isb n GLY 231 Ca -0.16 -1.68 0.13 0.00 0.00 0.00 0.00 46.02 44.31 3isb n GLY 231 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3isb h GLU 232 N 0.00 0.00 0.00 1.61 5.08 -2.01 -3.37 114.58 115.89 3isb h GLU 232 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3isb h GLU 232 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3isb h GLU 232 CO 0.00 0.00 -0.48 0.25 -1.00 0.00 0.00 179.01 177.78 3isb n THR 233 N -2.67 0.00 -3.89 1.13 -2.24 -1.26 -4.57 114.28 100.78 3isb n THR 233 Ca 0.04 -0.07 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 3isb n THR 233 Cb 0.41 0.46 -0.16 0.00 -2.10 0.00 0.00 70.33 68.93 3isb n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3isb s LYS 234 N -1.09 0.22 -0.05 -0.78 2.20 -1.26 -0.14 119.74 118.84 3isb s LYS 234 Ca 0.00 0.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.78 3isb s LYS 234 Cb 0.00 -0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 35.88 3isb s LYS 234 CO 0.00 -0.14 -0.25 0.12 -0.36 0.00 0.00 175.35 174.72 3isb s PHE 235 N 1.04 2.37 -0.10 4.03 2.19 0.83 -1.38 117.98 126.96 3isb s PHE 235 Ca -0.09 -0.65 -0.01 0.00 0.33 0.00 0.00 56.93 56.51 3isb s PHE 235 Cb -0.13 -1.55 0.03 0.00 -1.31 0.00 0.00 43.02 40.05 3isb s PHE 235 CO -0.02 -0.17 -0.04 -1.64 1.83 0.00 0.00 175.22 175.17 3isb s MET 236 N -0.26 1.15 0.00 10.12 -1.94 -0.10 -0.49 119.30 127.78 3isb s MET 236 Ca -0.00 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.84 3isb s MET 236 Cb -0.13 -1.39 0.00 0.00 2.01 0.00 0.00 34.83 35.32 3isb s MET 236 CO 0.03 -0.30 0.00 0.41 -0.01 0.00 0.00 175.02 175.15 3isb n GLY 237 N 5.02 4.04 3.15 -0.03 0.00 0.01 0.51 105.19 117.90 3isb n GLY 237 Ca -0.10 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 3isb n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isb s VAL 238 N -1.00 1.14 0.17 1.61 1.01 -0.19 -1.95 120.40 121.18 3isb s VAL 238 Ca 0.00 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.91 3isb s VAL 238 Cb 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3isb s VAL 238 CO 0.00 0.01 0.19 0.00 0.00 0.00 0.00 175.10 175.29 3isb s GLN 240 N -4.04 0.60 0.55 0.00 0.74 -0.41 0.24 119.66 117.35 3isb s GLN 240 Ca 0.25 0.93 -0.20 0.00 0.05 0.00 0.00 55.36 56.39 3isb s GLN 240 Cb 0.05 0.16 -0.05 0.00 1.10 0.00 0.00 33.01 34.28 3isb s GLN 240 CO 0.04 -0.12 1.18 -0.51 -0.55 0.00 0.00 175.29 175.33 3isb s LEU 241 N 1.05 3.75 0.44 3.68 1.43 -1.26 -4.67 118.68 123.09 3isb s LEU 241 Ca -0.06 2.32 -0.25 0.00 -1.03 0.00 0.00 54.13 55.12 3isb s LEU 241 Cb -0.06 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.56 3isb s LEU 241 CO -0.10 -1.37 1.27 -2.16 0.23 0.00 0.00 176.35 174.22 3isb s PRO 242 N -3.20 3.80 0.27 1.29 0.04 -1.26 -4.56 135.00 131.39 3isb s PRO 242 Ca 0.74 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.53 3isb s PRO 242 Cb -0.28 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.57 3isb s PRO 242 CO 0.32 -0.59 1.01 0.45 0.04 0.00 0.00 177.00 178.22 3isb s SER 243 N -0.95 7.43 0.00 6.66 0.15 -1.26 -4.87 113.70 120.86 3isb s SER 243 Ca 0.61 2.07 0.00 0.00 0.70 0.00 0.00 55.95 59.33 3isb s SER 243 Cb -0.36 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 3isb s SER 243 CO 0.44 -0.01 0.00 2.29 1.20 0.00 0.00 173.24 177.17 3isb n LYS 244 N 1.22 0.00 0.00 5.44 0.00 -1.26 -4.73 118.16 118.83 3isb n LYS 244 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3isb n LYS 244 Cb 0.46 -1.00 0.00 0.00 -0.00 0.00 0.00 35.03 34.50 3isb n LYS 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3isb n ASN 245 N -0.10 0.00 0.00 -5.58 5.03 -1.26 -4.26 115.26 109.09 3isb n ASN 245 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3isb n ASN 245 Cb 0.00 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3isb n ASN 245 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3isb n ASP 246 N 0.89 0.00 -4.62 6.41 3.85 -1.26 -5.09 116.55 116.73 3isb n ASP 246 Ca 0.00 -1.00 -0.32 0.00 -0.71 0.00 0.00 54.79 52.76 3isb n ASP 246 Cb 0.00 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 39.67 3isb n ASP 246 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3isb s GLU 247 N 0.00 2.56 -0.06 0.11 -1.05 -1.26 -5.06 118.70 113.95 3isb s GLU 247 Ca 0.00 -0.74 -0.39 0.00 -0.15 0.00 0.00 54.97 53.69 3isb s GLU 247 Cb 0.00 -2.52 -0.18 0.00 -0.44 0.00 0.00 34.13 30.99 3isb s GLU 247 CO 0.00 0.59 1.32 1.17 0.95 0.00 0.00 175.26 179.30 3isb n LYS 248 N 1.36 0.61 -1.54 -4.83 4.81 -1.26 -4.24 118.16 113.07 3isb n LYS 248 Ca -0.15 0.22 -0.36 0.00 -0.87 0.00 0.00 58.31 57.15 3isb n LYS 248 Cb 0.52 -1.80 0.08 0.00 0.02 0.00 0.00 35.03 33.85 3isb n LYS 248 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3isb n GLU 249 N 2.68 0.80 -2.29 1.64 0.28 -1.26 -4.83 120.64 117.66 3isb n GLU 249 Ca 0.21 0.33 -0.33 0.00 -0.16 0.00 0.00 57.16 57.22 3isb n GLU 249 Cb 0.12 -2.39 -0.02 0.00 1.43 0.00 0.00 31.44 30.58 3isb n GLU 249 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3isb s TYR 250 N -1.61 3.21 0.59 -1.84 2.02 -1.26 -5.03 117.35 113.42 3isb s TYR 250 Ca 0.78 1.50 -0.15 0.00 -0.37 0.00 0.00 57.07 58.83 3isb s TYR 250 Cb -0.36 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.24 3isb s TYR 250 CO 0.45 -0.71 1.04 -1.25 -1.57 0.00 0.00 175.55 173.51 3isb s PRO 251 N -3.94 3.42 0.42 -1.71 0.04 -1.26 -4.87 135.00 127.11 3isb s PRO 251 Ca 0.62 1.12 -0.24 0.00 0.04 0.00 0.00 61.00 62.53 3isb s PRO 251 Cb -0.13 -2.05 -0.08 0.00 0.04 0.00 0.00 34.50 32.28 3isb s PRO 251 CO 0.31 -0.72 1.17 -1.01 0.04 0.00 0.00 177.00 176.80 3isb s HIS 252 N -2.56 3.00 0.15 0.56 3.76 -1.26 -4.72 115.29 114.22 3isb s HIS 252 Ca 0.62 1.55 0.08 0.00 -0.15 0.00 0.00 55.06 57.15 3isb s HIS 252 Cb -0.14 -3.39 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 3isb s HIS 252 CO 0.38 -1.38 -0.18 1.03 -0.85 0.00 0.00 174.74 173.74 3isb s ARG 253 N -2.44 1.22 0.05 1.40 1.81 0.14 -4.33 118.95 116.80 3isb s ARG 253 Ca 0.59 -1.36 -0.24 0.00 -1.72 0.00 0.00 55.73 53.00 3isb s ARG 253 Cb -0.30 -1.27 -0.06 0.00 -0.45 0.00 0.00 34.95 32.87 3isb s ARG 253 CO 0.37 0.26 0.73 1.03 -0.68 0.00 0.00 175.30 177.01 3isb s ARG 254 N -2.69 4.46 -0.01 3.54 1.81 -1.26 -0.11 118.95 124.68 3isb s ARG 254 Ca 0.14 1.00 0.00 0.00 -1.72 0.00 0.00 55.73 55.15 3isb s ARG 254 Cb -0.06 -3.35 0.02 0.00 -0.45 0.00 0.00 34.95 31.11 3isb s ARG 254 CO 0.06 0.33 0.01 -1.50 -0.68 0.00 0.00 175.30 173.52 3isb s ILE 255 N -0.19 -0.01 0.07 1.52 2.07 -0.83 -1.56 121.20 122.28 3isb s ILE 255 Ca 0.37 0.11 0.09 0.00 -1.41 0.00 0.00 60.65 59.81 3isb s ILE 255 Cb -0.20 -0.07 -0.03 0.00 0.13 0.00 0.00 42.46 42.29 3isb s ILE 255 CO 0.22 0.06 -0.24 -1.81 -1.91 0.00 0.00 174.94 171.26 3isb s ASP 256 N 0.59 3.43 -0.05 4.50 1.01 0.16 -0.81 116.67 125.51 3isb s ASP 256 Ca -0.05 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.63 3isb s ASP 256 Cb -0.07 -0.38 0.03 0.00 1.01 0.00 0.00 42.92 43.50 3isb s ASP 256 CO -0.02 0.23 -0.01 -0.63 0.21 0.00 0.00 175.17 174.95 3isb s ILE 257 N -0.92 0.35 -0.10 0.77 1.01 0.35 -0.86 121.20 121.80 3isb s ILE 257 Ca 0.14 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3isb s ILE 257 Cb -0.10 -0.44 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3isb s ILE 257 CO 0.04 0.21 -0.23 -0.13 0.00 0.00 0.00 174.94 174.83 3isb s ARG 258 N 1.27 2.99 -0.22 2.79 0.52 -0.08 -0.12 118.95 126.10 3isb s ARG 258 Ca -0.06 -0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 54.15 3isb s ARG 258 Cb -0.13 -2.27 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3isb s ARG 258 CO -0.02 0.16 0.34 -1.17 0.02 0.00 0.00 175.30 174.62 3isb s LEU 259 N 0.40 4.13 -0.00 2.53 2.96 0.80 0.04 118.68 129.53 3isb s LEU 259 Ca -0.18 0.39 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3isb s LEU 259 Cb -0.18 -2.40 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 3isb s LEU 259 CO 0.08 -0.05 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.24 3isb s ILE 260 N 1.34 1.44 0.36 6.68 1.01 0.01 -4.83 121.20 127.22 3isb s ILE 260 Ca 0.16 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 3isb s ILE 260 Cb -0.15 -1.21 -0.12 0.00 0.01 0.00 0.00 42.46 40.99 3isb s ILE 260 CO 0.07 0.35 1.31 -2.65 0.00 0.00 0.00 174.94 174.03 3isb n PRO 261 N 2.48 2.17 -0.31 2.79 -0.02 -1.26 -4.42 135.00 136.42 3isb n PRO 261 Ca -0.15 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 3isb n PRO 261 Cb 0.54 -2.38 0.28 0.00 -0.02 0.00 0.00 33.50 31.91 3isb n PRO 261 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3isb h LYS 262 N 2.52 0.57 0.00 -0.52 1.63 -0.84 0.58 116.57 120.51 3isb h LYS 262 Ca -0.47 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 3isb h LYS 262 Cb 1.28 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3isb h LYS 262 CO 0.62 0.38 0.00 -0.40 -3.45 0.00 0.00 179.45 176.60 3isb n ASP 263 N -4.90 0.00 0.00 4.20 5.75 -1.26 -2.48 116.55 117.86 3isb n ASP 263 Ca 0.20 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.48 3isb n ASP 263 Cb 0.54 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3isb n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3isb n GLN 264 N -1.06 0.81 -0.05 0.11 6.02 -0.01 -4.66 117.38 118.55 3isb n GLN 264 Ca 0.14 -0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 56.82 3isb n GLN 264 Cb 0.09 -0.68 -0.02 0.00 1.02 0.00 0.00 30.24 30.65 3isb n GLN 264 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3isb h TYR 265 N 0.00 -0.25 -0.13 1.08 3.20 -0.67 -1.91 116.97 118.29 3isb h TYR 265 Ca 0.00 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 3isb h TYR 265 Cb 0.13 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3isb h TYR 265 CO 0.00 -0.16 -0.43 1.88 -1.64 0.00 0.00 178.16 177.81 3isb h TYR 266 N -0.08 0.36 -0.43 -3.82 -1.99 -1.89 0.97 116.97 110.10 3isb h TYR 266 Ca 0.12 -0.10 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 3isb h TYR 266 Cb 0.26 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3isb h TYR 266 CO -0.28 0.69 0.06 0.00 -0.00 0.00 0.00 178.16 178.63 3isb h GLY 268 N 0.90 0.44 1.01 0.00 0.00 -0.50 -1.20 103.07 103.71 3isb h GLY 268 Ca 0.14 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 3isb h GLY 268 CO 0.01 0.33 0.39 -2.08 0.00 0.00 0.00 176.54 175.18 3isb h VAL 269 N 0.14 1.22 -0.02 4.60 2.07 -0.54 -0.51 116.25 123.21 3isb h VAL 269 Ca 0.05 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.02 3isb h VAL 269 Cb 0.49 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3isb h VAL 269 CO 0.02 0.25 -0.06 0.25 0.02 0.00 0.00 177.57 178.05 3isb h LEU 270 N 1.00 -0.17 0.38 2.57 5.85 -0.85 -2.51 115.31 121.58 3isb h LEU 270 Ca 0.25 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3isb h LEU 270 Cb 0.05 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3isb h LEU 270 CO -0.04 -0.09 -0.18 0.22 -0.34 0.00 0.00 178.44 178.01 3isb h TYR 271 N -0.09 -0.47 0.00 1.25 3.20 -0.83 -2.92 116.97 117.10 3isb h TYR 271 Ca 0.03 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3isb h TYR 271 Cb 0.14 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.56 3isb h TYR 271 CO -0.14 -0.29 0.00 1.19 -1.64 0.00 0.00 178.16 177.28 3isb n PHE 272 N -5.31 0.00 -0.07 -3.82 3.72 -0.23 -2.39 117.46 109.36 3isb n PHE 272 Ca -0.11 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.25 3isb n PHE 272 Cb 0.22 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.62 3isb n PHE 272 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3isb n THR 273 N -0.63 0.91 -3.52 4.37 -1.04 -0.95 -0.62 114.28 112.80 3isb n THR 273 Ca 0.05 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 3isb n THR 273 Cb 0.02 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.16 3isb n THR 273 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3isb n GLY 274 N 1.77 1.52 3.40 3.41 0.00 -1.01 -4.52 105.19 109.76 3isb n GLY 274 Ca -0.23 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 3isb n GLY 274 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3isb n SER 275 N -2.07 -2.37 -0.27 1.61 3.41 -0.63 -4.77 113.62 108.53 3isb n SER 275 Ca 0.00 -1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 57.44 3isb n SER 275 Cb 0.00 -0.99 0.06 0.00 -0.26 0.00 0.00 64.21 63.02 3isb n SER 275 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3isb h ASP 276 N -2.83 0.90 -0.26 4.04 3.32 -1.89 -1.29 116.42 118.42 3isb h ASP 276 Ca -0.40 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 3isb h ASP 276 Cb 1.25 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3isb h ASP 276 CO 0.26 0.72 -0.15 0.40 -1.72 0.00 0.00 179.24 178.75 3isb h ILE 277 N 1.00 1.26 0.06 0.35 2.04 -1.90 -2.34 117.51 117.98 3isb h ILE 277 Ca 0.26 -1.19 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 3isb h ILE 277 Cb 0.01 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3isb h ILE 277 CO -0.04 0.40 -0.03 0.15 0.00 0.00 0.00 178.15 178.63 3isb h PHE 278 N 0.62 -0.07 -0.62 1.37 3.04 -1.45 -2.43 116.94 117.41 3isb h PHE 278 Ca 0.10 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.15 3isb h PHE 278 Cb 0.61 0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.07 3isb h PHE 278 CO 0.03 0.20 0.21 -0.91 -2.02 0.00 0.00 178.31 175.81 3isb h ASN 279 N -0.33 0.18 -0.52 0.41 2.35 -1.14 0.13 115.58 116.64 3isb h ASN 279 Ca -0.01 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3isb h ASN 279 Cb 0.30 0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 3isb h ASN 279 CO 0.01 0.10 0.26 0.50 -1.65 0.00 0.00 177.43 176.65 3isb h LYS 280 N 0.37 0.49 -0.16 0.81 3.11 -1.34 0.15 116.57 120.00 3isb h LYS 280 Ca 0.32 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.10 3isb h LYS 280 Cb 0.42 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 3isb h LYS 280 CO -0.34 0.32 -0.01 -0.91 -2.81 0.00 0.00 179.45 175.71 3isb h ASN 281 N 0.50 0.28 -0.98 4.20 2.35 -0.77 -1.35 115.58 119.81 3isb h ASN 281 Ca 0.23 -0.32 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 3isb h ASN 281 Cb 0.15 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 3isb h ASN 281 CO -0.17 0.53 0.65 -0.03 -1.65 0.00 0.00 177.43 176.76 3isb h MET 282 N 0.01 1.23 -0.08 0.81 4.05 -0.44 0.36 114.93 120.86 3isb h MET 282 Ca 0.04 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 59.26 3isb h MET 282 Cb 0.40 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 3isb h MET 282 CO 0.01 0.81 -0.53 0.00 0.23 0.00 0.00 176.91 177.43 3isb h ARG 283 N 1.26 0.22 -0.01 0.39 3.08 -0.91 0.43 114.38 118.84 3isb h ARG 283 Ca 0.39 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.30 3isb h ARG 283 Cb -0.03 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3isb h ARG 283 CO -0.11 0.70 -0.00 0.00 -1.07 0.00 0.00 179.97 179.48 3isb h ALA 284 N 1.28 0.02 -0.26 0.04 0.00 0.01 -1.90 119.26 118.45 3isb h ALA 284 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3isb h ALA 284 Cb 0.99 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3isb h ALA 284 CO 0.08 -0.31 0.17 1.25 0.00 0.00 0.00 179.25 180.44 3isb h HIS 285 N -0.31 0.31 -0.80 0.00 -0.00 -0.21 -2.39 115.15 111.75 3isb h HIS 285 Ca 0.00 0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.50 3isb h HIS 285 Cb 0.34 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 27.57 3isb h HIS 285 CO 0.04 0.19 0.41 0.00 -0.00 0.00 0.00 177.93 178.58 3isb h ALA 286 N 1.10 1.15 0.44 5.26 0.00 -0.86 -2.19 119.26 124.15 3isb h ALA 286 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3isb h ALA 286 Cb -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3isb h ALA 286 CO -0.03 -0.04 -0.21 -0.07 0.00 0.00 0.00 179.25 178.90 3isb h LEU 287 N 0.65 -0.50 0.00 0.00 3.38 -0.75 0.13 115.31 118.22 3isb h LEU 287 Ca 0.41 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3isb h LEU 287 Cb 0.50 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3isb h LEU 287 CO -0.31 -0.35 0.00 -1.84 0.09 0.00 0.00 178.44 176.04 3isb n GLU 288 N -5.34 0.19 0.00 1.13 0.28 -0.87 0.31 120.64 116.34 3isb n GLU 288 Ca -0.11 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.91 3isb n GLU 288 Cb 0.26 -1.30 0.01 0.00 1.43 0.00 0.00 31.44 31.83 3isb n GLU 288 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3isb n LYS 289 N -0.80 1.18 -0.99 3.44 4.76 -0.56 -5.00 118.16 120.19 3isb n LYS 289 Ca 0.03 -0.62 0.00 0.00 -2.87 0.00 0.00 58.31 54.85 3isb n LYS 289 Cb 0.01 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3isb n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3isb n GLY 290 N 0.51 1.03 3.06 0.72 0.00 0.15 -5.03 105.19 105.63 3isb n GLY 290 Ca 0.03 -0.50 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 3isb n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3isb s PHE 291 N -2.00 0.78 -0.20 1.61 0.08 0.35 -1.40 117.98 117.20 3isb s PHE 291 Ca 0.00 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 3isb s PHE 291 Cb 0.00 -0.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.98 3isb s PHE 291 CO 0.00 -0.02 -0.14 -0.08 -0.10 0.00 0.00 175.22 174.88 3isb s THR 292 N -0.84 2.60 -0.22 0.64 -1.32 0.03 -2.05 115.64 114.47 3isb s THR 292 Ca -0.03 -0.76 -0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3isb s THR 292 Cb -0.07 -2.13 0.02 0.00 -1.51 0.00 0.00 72.50 68.81 3isb s THR 292 CO 0.00 0.49 -0.12 -0.63 -2.21 0.00 0.00 174.62 172.16 3isb s ILE 293 N 1.35 2.53 0.20 5.08 1.01 -1.26 -1.52 121.20 128.59 3isb s ILE 293 Ca 0.05 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3isb s ILE 293 Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.14 3isb s ILE 293 CO -0.09 0.34 0.07 -0.46 0.00 0.00 0.00 174.94 174.80 3isb n ASN 294 N 4.64 2.17 0.30 3.58 0.23 -0.65 -4.88 115.26 120.66 3isb n ASN 294 Ca -0.18 -1.81 0.19 0.00 -0.53 0.00 0.00 54.58 52.26 3isb n ASN 294 Cb 0.48 0.07 0.94 0.00 -2.08 0.00 0.00 39.78 39.19 3isb n ASN 294 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3isb h GLU 295 N 0.00 0.00 0.03 -3.83 4.11 -1.99 -3.28 114.58 109.62 3isb h GLU 295 Ca -0.15 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.89 3isb h GLU 295 Cb 0.49 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 3isb h GLU 295 CO 0.25 0.02 -2.29 0.66 0.07 0.00 0.00 179.01 177.71 3isb n TYR 296 N -3.16 0.36 -4.06 2.06 4.01 -1.26 -2.45 117.16 112.66 3isb n TYR 296 Ca -0.01 0.09 -0.14 0.00 -0.16 0.00 0.00 57.90 57.68 3isb n TYR 296 Cb 0.19 -1.04 -0.03 0.00 -0.31 0.00 0.00 39.34 38.14 3isb n TYR 296 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3isb s THR 297 N -2.51 0.00 -0.09 -0.72 -4.23 -1.24 -4.56 115.64 102.28 3isb s THR 297 Ca -0.33 -1.54 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3isb s THR 297 Cb 0.09 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3isb s THR 297 CO 0.61 0.00 -0.04 -0.51 -0.54 0.00 0.00 174.62 174.15 3isb s ILE 298 N -2.89 0.70 0.12 2.99 2.07 -1.26 -1.64 121.20 121.29 3isb s ILE 298 Ca 0.29 -0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.53 3isb s ILE 298 Cb -0.01 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 3isb s ILE 298 CO 0.20 0.31 -0.20 -0.13 -1.91 0.00 0.00 174.94 173.21 3isb s ARG 299 N 1.84 1.15 0.44 3.50 0.52 -0.58 -1.35 118.95 124.48 3isb s ARG 299 Ca 0.05 -1.22 -0.22 0.00 -0.52 0.00 0.00 55.73 53.82 3isb s ARG 299 Cb -0.12 -1.36 -0.10 0.00 0.52 0.00 0.00 34.95 33.89 3isb s ARG 299 CO -0.07 0.30 1.00 -1.25 0.02 0.00 0.00 175.30 175.31 3isb s PRO 300 N -2.14 4.09 -0.18 3.54 0.04 -1.26 -0.79 135.00 138.29 3isb s PRO 300 Ca 0.09 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.38 3isb s PRO 300 Cb -0.09 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3isb s PRO 300 CO 0.05 -0.18 -0.04 -0.51 0.04 0.00 0.00 177.00 176.36 3isb s LEU 301 N -3.12 3.12 0.99 -3.56 1.43 -0.50 0.64 118.68 117.69 3isb s LEU 301 Ca 0.62 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 53.37 3isb s LEU 301 Cb -0.15 -1.76 0.18 0.00 0.03 0.00 0.00 46.19 44.49 3isb s LEU 301 CO 0.19 0.11 1.13 -0.83 0.23 0.00 0.00 176.35 177.17 3isb s GLY 302 N 0.73 1.58 0.53 -3.19 0.00 0.08 -4.87 107.32 102.19 3isb s GLY 302 Ca -0.02 -0.56 0.36 0.00 0.00 0.00 0.00 44.72 44.50 3isb s GLY 302 CO 0.02 0.08 2.09 -0.39 0.00 0.00 0.00 173.10 174.90 3isb h VAL 303 N -1.83 0.00 -0.39 1.40 -1.51 -2.00 -1.48 116.25 110.45 3isb h VAL 303 Ca -0.51 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.90 3isb h VAL 303 Cb 1.32 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 3isb h VAL 303 CO 0.55 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.24 3isb n THR 304 N -2.79 0.65 0.00 7.19 -2.24 -1.26 -4.97 114.28 110.87 3isb n THR 304 Ca -0.02 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 3isb n THR 304 Cb 0.09 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3isb n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3isb n GLY 305 N 1.15 1.35 3.65 3.38 0.00 -0.56 -5.04 105.19 109.13 3isb n GLY 305 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3isb n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3isb s VAL 306 N -2.34 3.62 0.25 1.61 1.01 -1.26 -4.62 120.40 118.68 3isb s VAL 306 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 3isb s VAL 306 Cb 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.77 3isb s VAL 306 CO 0.00 -0.11 1.14 0.00 0.00 0.00 0.00 175.10 176.13 3isb s ALA 307 N 4.35 3.42 0.51 5.51 0.00 -1.26 -0.74 121.76 133.55 3isb s ALA 307 Ca 0.73 0.94 0.01 0.00 0.00 0.00 0.00 51.96 53.63 3isb s ALA 307 Cb -0.31 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.51 3isb s ALA 307 CO 0.29 -0.26 0.45 0.41 0.00 0.00 0.00 175.76 176.65 3isb n GLY 308 N 1.45 0.88 3.76 0.00 0.00 0.21 -4.93 105.19 106.56 3isb n GLY 308 Ca 0.01 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 3isb n GLY 308 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3isb s GLU 309 N -3.58 3.46 0.31 1.61 0.41 -1.26 -4.48 118.70 115.17 3isb s GLU 309 Ca 0.30 1.99 -0.29 0.00 -0.41 0.00 0.00 54.97 56.56 3isb s GLU 309 Cb -0.02 -2.33 -0.13 0.00 -1.78 0.00 0.00 34.13 29.87 3isb s GLU 309 CO 0.20 -0.86 1.26 -0.35 -0.49 0.00 0.00 175.26 175.02 3isb n PRO 310 N -0.75 1.95 -3.12 0.39 -0.04 -1.26 -4.42 135.00 127.75 3isb n PRO 310 Ca 0.09 0.69 -0.34 0.00 -0.04 0.00 0.00 63.50 63.90 3isb n PRO 310 Cb 0.47 -2.24 -0.06 0.00 -0.04 0.00 0.00 33.50 31.62 3isb n PRO 310 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3isb s LEU 311 N -0.50 4.15 0.17 1.53 1.43 -0.45 -5.00 118.68 120.00 3isb s LEU 311 Ca 0.59 1.33 -0.32 0.00 -1.03 0.00 0.00 54.13 54.70 3isb s LEU 311 Cb -0.61 -3.93 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 3isb s LEU 311 CO 0.59 -0.13 1.76 -2.16 0.23 0.00 0.00 176.35 176.64 3isb s PRO 312 N -2.66 4.14 -0.09 1.29 0.04 -1.26 -4.73 135.00 131.72 3isb s PRO 312 Ca 0.51 2.59 0.01 0.00 0.04 0.00 0.00 61.00 64.15 3isb s PRO 312 Cb -0.12 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3isb s PRO 312 CO 0.18 -0.79 -0.12 0.08 0.04 0.00 0.00 177.00 176.40 3isb s VAL 313 N 1.89 1.24 0.00 -0.36 1.01 -1.26 -4.96 120.40 117.96 3isb s VAL 313 Ca 0.77 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3isb s VAL 313 Cb -0.48 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 34.74 3isb s VAL 313 CO 0.34 0.39 0.68 0.47 0.00 0.00 0.00 175.10 176.97 3isb n ASP 314 N 4.25 1.16 -3.60 3.32 9.92 -1.26 -4.84 116.55 125.50 3isb n ASP 314 Ca -0.19 -1.46 -0.04 0.00 -0.53 0.00 0.00 54.79 52.58 3isb n ASP 314 Cb 0.51 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.97 3isb n ASP 314 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3isb s SER 315 N -0.46 -0.12 0.28 -2.24 1.04 -1.26 -5.00 113.70 105.94 3isb s SER 315 Ca 0.00 -0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.39 3isb s SER 315 Cb 0.00 0.14 0.39 0.00 0.10 0.00 0.00 66.02 66.65 3isb s SER 315 CO 0.00 -0.23 1.93 -0.33 0.98 0.00 0.00 173.24 175.59 3isb h GLU 316 N 2.00 1.16 -0.75 4.02 5.08 -1.98 -2.03 114.58 122.09 3isb h GLU 316 Ca -0.11 -0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3isb h GLU 316 Cb 1.17 -0.26 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 3isb h GLU 316 CO 0.23 0.77 0.49 -0.22 -1.00 0.00 0.00 179.01 179.28 3isb h LYS 317 N 1.20 0.69 -0.88 2.33 3.64 -1.98 -1.14 116.57 120.43 3isb h LYS 317 Ca 0.37 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.77 3isb h LYS 317 Cb -0.03 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.58 3isb h LYS 317 CO -0.10 0.46 0.55 -0.44 -2.27 0.00 0.00 179.45 177.65 3isb h ASP 318 N 0.72 0.87 -0.34 4.20 3.45 -1.75 -0.02 116.42 123.54 3isb h ASP 318 Ca 0.34 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.81 3isb h ASP 318 Cb 0.38 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.97 3isb h ASP 318 CO -0.12 0.55 0.20 0.40 -1.57 0.00 0.00 179.24 178.70 3isb h ILE 319 N 1.00 1.12 -0.75 0.35 2.04 -1.26 -2.11 117.51 117.91 3isb h ILE 319 Ca 0.38 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3isb h ILE 319 Cb 0.17 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3isb h ILE 319 CO -0.17 0.12 0.28 -0.26 0.00 0.00 0.00 178.15 178.11 3isb h PHE 320 N 0.44 1.15 -0.73 1.37 0.04 -1.19 -2.97 116.94 115.05 3isb h PHE 320 Ca 0.12 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3isb h PHE 320 Cb 0.02 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 3isb h PHE 320 CO -0.04 0.88 0.37 -0.44 -0.60 0.00 0.00 178.31 178.49 3isb h ASP 321 N 1.09 0.93 -0.85 2.17 3.32 -0.66 -2.03 116.42 120.39 3isb h ASP 321 Ca 0.25 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3isb h ASP 321 Cb 0.24 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3isb h ASP 321 CO -0.02 0.78 0.54 1.88 -1.72 0.00 0.00 179.24 180.70 3isb h TYR 322 N 1.01 1.00 -0.55 4.55 0.05 -1.23 -2.68 116.97 119.13 3isb h TYR 322 Ca 0.25 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.93 3isb h TYR 322 Cb 0.08 -0.33 -0.08 0.00 1.01 0.00 0.00 36.73 37.41 3isb h TYR 322 CO 0.00 0.56 0.16 0.44 -1.05 0.00 0.00 178.16 178.27 3isb n ILE 323 N -4.58 2.31 -3.60 -2.88 -5.35 -1.10 -4.95 119.36 99.21 3isb n ILE 323 Ca 0.11 -1.20 -0.19 0.00 -0.27 0.00 0.00 62.75 61.19 3isb n ILE 323 Cb 0.12 -0.42 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 3isb n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3isb n GLN 324 N 0.08 -1.41 -3.72 6.28 6.02 -1.01 -4.87 117.38 118.74 3isb n GLN 324 Ca 0.29 0.91 -0.12 0.00 -0.01 0.00 0.00 57.00 58.08 3isb n GLN 324 Cb 1.12 -3.34 -0.12 0.00 1.02 0.00 0.00 30.24 28.92 3isb n GLN 324 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3isb s TRP 325 N -3.04 -0.44 0.31 1.08 -0.00 -0.78 -5.05 118.94 111.02 3isb s TRP 325 Ca 0.05 0.99 -0.29 0.00 -0.00 0.00 0.00 56.10 56.85 3isb s TRP 325 Cb -0.02 0.14 -0.10 0.00 -0.00 0.00 0.00 33.47 33.49 3isb s TRP 325 CO 0.86 -0.27 1.33 0.21 -0.00 0.00 0.00 176.95 179.08 3isb s LYS 326 N 1.16 4.34 0.18 5.86 2.20 -1.26 -4.20 119.74 128.02 3isb s LYS 326 Ca -0.08 2.22 -0.33 0.00 -0.36 0.00 0.00 55.97 57.42 3isb s LYS 326 Cb -0.08 -3.08 -0.13 0.00 -1.51 0.00 0.00 37.83 33.02 3isb s LYS 326 CO -0.09 -0.24 1.64 0.98 -0.36 0.00 0.00 175.35 177.28 3isb n TYR 327 N 1.18 2.47 -3.99 4.03 4.19 -1.26 -4.97 117.16 118.81 3isb n TYR 327 Ca 0.02 0.18 -0.34 0.00 3.31 0.00 0.00 57.90 61.06 3isb n TYR 327 Cb 0.42 -2.60 -0.15 0.00 0.49 0.00 0.00 39.34 37.50 3isb n TYR 327 CO 0.00 0.00 0.00 0.50 0.91 0.00 0.00 176.86 178.27 3isb s ARG 328 N 1.00 3.25 0.48 2.98 3.52 -1.26 -5.09 118.95 123.84 3isb s ARG 328 Ca 0.77 -0.69 -0.22 0.00 -0.13 0.00 0.00 55.73 55.46 3isb s ARG 328 Cb -0.61 -2.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.83 3isb s ARG 328 CO 0.36 -0.20 0.89 0.39 -0.81 0.00 0.00 175.30 175.93 3isb n GLU 329 N 4.72 1.05 -0.28 5.12 -0.58 -1.26 -4.81 120.64 124.60 3isb n GLU 329 Ca -0.19 0.39 0.22 0.00 -0.42 0.00 0.00 57.16 57.16 3isb n GLU 329 Cb 0.51 -1.97 0.53 0.00 -0.57 0.00 0.00 31.44 29.94 3isb n GLU 329 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3isb h PRO 330 N 1.03 0.35 -0.28 3.49 0.11 -1.92 0.31 132.00 135.09 3isb h PRO 330 Ca -0.45 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.72 3isb h PRO 330 Cb 1.36 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3isb h PRO 330 CO 0.53 0.23 0.22 -0.22 -0.21 0.00 0.00 178.00 178.55 3isb h LYS 331 N 0.36 0.00 -0.61 1.05 3.64 -1.80 -1.41 116.57 117.81 3isb h LYS 331 Ca 0.53 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.81 3isb h LYS 331 Cb 1.41 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.17 3isb h LYS 331 CO -0.21 0.00 0.12 -0.25 -2.27 0.00 0.00 179.45 176.83 3isb n ASP 332 N -4.34 5.07 -1.74 4.20 8.00 0.11 -4.48 116.55 123.38 3isb n ASP 332 Ca 0.04 -3.10 -0.17 0.00 0.71 0.00 0.00 54.79 52.28 3isb n ASP 332 Cb 0.38 -0.70 0.16 0.00 -0.02 0.00 0.00 41.12 40.94 3isb n ASP 332 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3isb n ARG 333 N 0.11 2.22 0.30 -1.24 1.74 -0.53 -4.56 116.66 114.69 3isb n ARG 333 Ca 0.33 -3.23 0.17 0.00 -0.77 0.00 0.00 57.85 54.36 3isb n ARG 333 Cb 1.25 -2.04 0.95 0.00 -1.02 0.00 0.00 32.46 31.60 3isb n ARG 333 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3isb h SER 334 N 1.22 0.00 0.00 0.55 4.64 -1.79 -1.68 113.55 116.49 3isb h SER 334 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3isb h SER 334 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 3isb h SER 334 CO 0.82 0.03 0.00 -1.84 -0.87 0.00 0.00 176.83 174.97