#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ban s VAL 3 N 0.00 -0.65 -0.05 5.09 0.11 -1.26 -2.75 120.40 120.88 1ban s VAL 3 Ca 0.00 -1.28 0.04 0.00 -2.93 0.00 0.00 61.98 57.81 1ban s VAL 3 Cb 0.00 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1ban s VAL 3 CO 0.00 -0.32 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.65 1ban s ILE 4 N 0.82 1.45 0.00 7.04 1.01 -1.26 -5.06 121.20 125.20 1ban s ILE 4 Ca 0.28 -0.71 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1ban s ILE 4 Cb -0.01 -1.26 0.12 0.00 0.01 0.00 0.00 42.46 41.32 1ban s ILE 4 CO -0.08 0.42 0.96 -0.46 0.00 0.00 0.00 174.94 175.77 1ban n ASN 5 N 3.33 0.16 -4.89 3.58 6.94 -1.26 -4.86 115.26 118.25 1ban n ASN 5 Ca -0.19 -1.82 -0.21 0.00 -0.02 0.00 0.00 54.58 52.34 1ban n ASN 5 Cb 0.53 -0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.79 1ban n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1ban s THR 6 N 0.00 3.90 0.07 5.53 -4.23 -1.26 -0.44 115.64 119.22 1ban s THR 6 Ca 0.10 -1.26 -0.34 0.00 -1.18 0.00 0.00 61.69 59.00 1ban s THR 6 Cb 0.11 -3.31 -0.18 0.00 1.34 0.00 0.00 72.50 70.46 1ban s THR 6 CO -0.05 -0.21 1.60 -0.26 -0.54 0.00 0.00 174.62 175.17 1ban h PHE 7 N 1.20 -1.04 -0.64 3.99 0.04 -1.98 -2.46 116.94 116.04 1ban h PHE 7 Ca -0.46 -0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.35 1ban h PHE 7 Cb 1.25 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 39.73 1ban h PHE 7 CO 0.51 -0.61 0.43 -0.44 -0.60 0.00 0.00 178.31 177.59 1ban h ASP 8 N -1.01 0.58 0.53 2.17 3.32 -2.00 -1.99 116.42 118.03 1ban h ASP 8 Ca -0.09 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.75 1ban h ASP 8 Cb 0.80 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1ban h ASP 8 CO 0.10 0.38 -0.92 1.23 -1.72 0.00 0.00 179.24 178.31 1ban h GLY 9 N 0.66 0.28 0.88 2.75 0.00 -1.96 -2.18 103.07 103.52 1ban h GLY 9 Ca 0.27 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.95 1ban h GLY 9 CO -0.08 0.46 -0.46 -2.08 0.00 0.00 0.00 176.54 174.37 1ban h VAL 10 N 0.13 1.36 -0.43 4.60 2.07 -1.30 -1.71 116.25 120.98 1ban h VAL 10 Ca -0.06 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 65.78 1ban h VAL 10 Cb 1.57 2.11 -0.08 0.00 -1.52 0.00 0.00 31.29 33.37 1ban h VAL 10 CO 0.15 0.53 -0.07 0.00 0.02 0.00 0.00 177.57 178.20 1ban h ALA 11 N 0.51 0.32 -0.10 1.67 0.00 -1.39 0.50 119.26 120.78 1ban h ALA 11 Ca -0.02 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ban h ALA 11 Cb 1.09 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1ban h ALA 11 CO 0.10 -0.43 -0.38 -0.44 0.00 0.00 0.00 179.25 178.09 1ban h ASP 12 N 0.03 0.21 -0.15 0.00 5.19 -1.40 -0.68 116.42 119.63 1ban h ASP 12 Ca 0.21 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.49 1ban h ASP 12 Cb 0.32 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1ban h ASP 12 CO -0.41 0.58 -0.10 0.22 -3.12 0.00 0.00 179.24 176.41 1ban h TYR 13 N 0.18 0.39 -0.25 4.55 5.03 -0.10 -0.43 116.97 126.34 1ban h TYR 13 Ca 0.02 -0.11 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1ban h TYR 13 Cb 0.76 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1ban h TYR 13 CO 0.01 0.68 0.12 -0.07 -1.32 0.00 0.00 178.16 177.59 1ban h LEU 14 N -0.01 0.32 -0.88 2.82 3.38 0.17 0.14 115.31 121.24 1ban h LEU 14 Ca 0.03 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ban h LEU 14 Cb 0.59 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1ban h LEU 14 CO 0.03 0.34 0.52 1.56 0.09 0.00 0.00 178.44 180.98 1ban h GLN 15 N 0.27 0.83 0.10 1.13 1.08 -1.14 0.53 115.11 117.92 1ban h GLN 15 Ca 0.08 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.06 1ban h GLN 15 Cb 0.10 -0.19 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1ban h GLN 15 CO -0.01 0.55 -0.80 1.15 -0.95 0.00 0.00 178.83 178.77 1ban h THR 16 N 0.85 1.45 0.00 -0.54 2.02 -0.78 -3.41 112.91 112.49 1ban h THR 16 Ca 0.43 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1ban h THR 16 Cb 0.41 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1ban h THR 16 CO -0.26 0.68 -1.53 -1.22 0.37 0.00 0.00 175.52 173.56 1ban n TYR 17 N -4.19 0.00 -2.66 3.16 4.02 0.45 -5.02 117.16 112.92 1ban n TYR 17 Ca -0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.57 1ban n TYR 17 Cb 0.77 -0.29 0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1ban n TYR 17 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1ban n HIS 18 N -1.91 -1.24 -3.68 -0.72 8.25 0.19 -4.99 115.22 111.11 1ban n HIS 18 Ca -0.01 0.27 -0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1ban n HIS 18 Cb 0.42 -3.49 -0.02 0.00 1.12 0.00 0.00 29.99 28.02 1ban n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ban s LYS 19 N -5.21 1.53 0.58 -0.41 -2.85 -1.26 -5.07 119.74 107.06 1ban s LYS 19 Ca 0.16 -0.79 -0.13 0.00 -1.00 0.00 0.00 55.97 54.21 1ban s LYS 19 Cb -0.07 0.58 -0.05 0.00 -2.06 0.00 0.00 37.83 36.23 1ban s LYS 19 CO 0.20 -0.68 1.02 -0.51 0.10 0.00 0.00 175.35 175.47 1ban s LEU 20 N -2.85 3.39 1.13 2.77 1.43 -1.26 -4.18 118.68 119.10 1ban s LEU 20 Ca 0.07 1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 54.57 1ban s LEU 20 Cb -0.03 -4.49 0.26 0.00 0.03 0.00 0.00 46.19 41.96 1ban s LEU 20 CO -0.02 -0.83 1.05 -2.84 0.23 0.00 0.00 176.35 173.93 1ban s PRO 21 N -4.66 -0.65 0.62 1.29 0.02 -1.26 -4.76 135.00 125.60 1ban s PRO 21 Ca 0.57 0.96 0.34 0.00 0.02 0.00 0.00 61.00 62.89 1ban s PRO 21 Cb -0.11 -1.58 1.92 0.00 0.02 0.00 0.00 34.50 34.75 1ban s PRO 21 CO 0.44 -3.58 2.20 -0.44 -0.33 0.00 0.00 177.00 175.29 1ban h ASP 22 N -2.52 0.00 -0.14 2.53 3.32 -1.92 -2.98 116.42 114.71 1ban h ASP 22 Ca -0.59 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1ban h ASP 22 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 1ban h ASP 22 CO 0.49 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.55 1ban n ASN 23 N -3.49 0.95 -4.81 6.45 6.94 -1.16 -4.86 115.26 115.27 1ban n ASN 23 Ca -0.01 -1.81 -0.34 0.00 -0.02 0.00 0.00 54.58 52.40 1ban n ASN 23 Cb 0.20 -0.09 -0.07 0.00 -2.36 0.00 0.00 39.78 37.46 1ban n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ban s TYR 24 N -1.81 3.37 0.00 -2.53 2.02 -1.13 0.11 117.35 117.38 1ban s TYR 24 Ca 0.20 0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.14 1ban s TYR 24 Cb 0.10 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1ban s TYR 24 CO 0.15 0.59 0.07 0.96 -1.57 0.00 0.00 175.55 175.75 1ban s ILE 25 N -1.17 0.08 0.92 2.71 -4.36 -0.17 -4.85 121.20 114.35 1ban s ILE 25 Ca 0.22 -0.65 -0.12 0.00 -0.26 0.00 0.00 60.65 59.84 1ban s ILE 25 Cb -0.12 -0.32 0.14 0.00 1.25 0.00 0.00 42.46 43.41 1ban s ILE 25 CO 0.13 -0.35 1.11 0.42 0.24 0.00 0.00 174.94 176.48 1ban s THR 26 N -1.16 2.30 0.33 8.37 -4.23 -1.23 -1.56 115.64 118.46 1ban s THR 26 Ca -0.13 0.10 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 1ban s THR 26 Cb -0.07 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.35 1ban s THR 26 CO 0.00 -0.13 1.88 0.11 -0.54 0.00 0.00 174.62 175.95 1ban h LYS 27 N -1.57 0.79 -0.00 3.99 1.57 -1.96 -2.26 116.57 117.12 1ban h LYS 27 Ca -0.51 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.06 1ban h LYS 27 Cb 1.31 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 1ban h LYS 27 CO 0.59 0.52 -0.74 0.66 -0.57 0.00 0.00 179.45 179.91 1ban h SER 28 N 0.81 0.05 -0.14 0.86 4.64 -1.99 0.68 113.55 118.47 1ban h SER 28 Ca 0.44 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.65 1ban h SER 28 Cb 0.54 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1ban h SER 28 CO -0.20 0.77 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.03 1ban h GLU 29 N 0.03 0.37 -0.20 4.77 5.08 -1.80 -2.58 114.58 120.25 1ban h GLU 29 Ca -0.01 -0.20 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1ban h GLU 29 Cb 1.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 1ban h GLU 29 CO 0.10 0.77 0.08 0.00 -1.00 0.00 0.00 179.01 178.96 1ban h ALA 30 N 0.59 0.23 -0.44 3.43 0.00 -1.33 -2.89 119.26 118.85 1ban h ALA 30 Ca 0.02 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1ban h ALA 30 Cb 0.71 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 1ban h ALA 30 CO 0.04 -0.34 -0.12 1.96 0.00 0.00 0.00 179.25 180.79 1ban h GLN 31 N 0.18 -0.01 0.00 0.00 4.20 -0.82 -0.52 115.11 118.14 1ban h GLN 31 Ca 0.08 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1ban h GLN 31 Cb 0.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ban h GLN 31 CO -0.08 -0.01 -0.01 0.00 -0.67 0.00 0.00 178.83 178.07 1ban h ALA 32 N 1.42 1.19 0.00 3.87 0.00 -1.26 0.01 119.26 124.50 1ban h ALA 32 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ban h ALA 32 Cb 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ban h ALA 32 CO -0.46 0.01 -0.49 -0.07 0.00 0.00 0.00 179.25 178.24 1ban h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.13 -3.47 115.31 114.08 1ban h LEU 33 Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ban h LEU 33 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1ban h LEU 33 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1ban n GLY 34 N 1.28 1.44 3.72 0.83 0.00 -0.01 -4.90 105.19 107.55 1ban n GLY 34 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1ban n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ban s TRP 35 N -2.00 3.21 -0.29 1.61 -0.00 -0.31 -4.97 118.94 116.20 1ban s TRP 35 Ca 0.00 0.90 0.03 0.00 -0.00 0.00 0.00 56.10 57.03 1ban s TRP 35 Cb 0.00 -3.72 0.08 0.00 -0.00 0.00 0.00 33.47 29.82 1ban s TRP 35 CO 0.00 -2.55 -0.04 0.08 -0.00 0.00 0.00 176.95 174.44 1ban s VAL 36 N 1.09 2.09 0.29 5.86 1.01 -1.26 -4.46 120.40 125.02 1ban s VAL 36 Ca 0.65 -1.84 0.04 0.00 0.00 0.00 0.00 61.98 60.83 1ban s VAL 36 Cb -0.38 -2.35 0.29 0.00 0.00 0.00 0.00 36.38 33.94 1ban s VAL 36 CO 0.31 -0.27 1.68 0.00 0.00 0.00 0.00 175.10 176.82 1ban h ALA 37 N 7.74 1.42 0.00 5.51 0.00 -2.00 -1.61 119.26 130.33 1ban h ALA 37 Ca -0.13 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ban h ALA 37 Cb 1.04 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ban h ALA 37 CO 0.48 -0.39 -0.04 0.77 0.00 0.00 0.00 179.25 180.07 1ban h SER 38 N 0.34 0.00 0.81 0.00 0.02 -2.03 -2.71 113.55 109.97 1ban h SER 38 Ca 0.57 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.52 1ban h SER 38 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ban h SER 38 CO -0.57 0.04 -0.82 0.29 -1.14 0.00 0.00 176.83 174.63 1ban n LYS 39 N -3.59 0.38 -3.51 3.45 4.76 -0.61 -4.97 118.16 114.08 1ban n LYS 39 Ca -0.02 0.08 -0.22 0.00 -2.87 0.00 0.00 58.31 55.27 1ban n LYS 39 Cb 0.14 -1.71 0.07 0.00 -1.84 0.00 0.00 35.03 31.70 1ban n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ban n GLY 40 N 1.30 -0.43 1.43 0.72 0.00 -1.02 -4.91 105.19 102.27 1ban n GLY 40 Ca 0.02 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1ban n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ban n ASN 41 N -2.72 4.67 -0.19 1.61 6.94 -1.25 -4.28 115.26 120.04 1ban n ASN 41 Ca -0.01 -2.65 -0.02 0.00 -0.02 0.00 0.00 54.58 51.88 1ban n ASN 41 Cb 0.56 -0.57 0.05 0.00 -2.36 0.00 0.00 39.78 37.47 1ban n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1ban h LEU 42 N 3.39 -0.49 -1.76 -4.53 5.85 -1.89 -1.52 115.31 114.36 1ban h LEU 42 Ca 0.00 0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1ban h LEU 42 Cb 1.52 0.34 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 1ban h LEU 42 CO 0.28 -0.18 -0.13 0.00 -0.34 0.00 0.00 178.44 178.07 1ban h ALA 43 N 1.56 1.19 -0.00 1.25 0.00 -1.84 0.39 119.26 121.81 1ban h ALA 43 Ca 0.27 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1ban h ALA 43 Cb 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ban h ALA 43 CO -0.57 0.16 -0.63 -0.44 0.00 0.00 0.00 179.25 177.77 1ban h ASP 44 N 0.00 0.56 0.87 0.00 3.32 -1.63 -3.08 116.42 116.46 1ban h ASP 44 Ca -0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1ban h ASP 44 Cb 0.42 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1ban h ASP 44 CO 0.02 1.25 -1.05 1.33 -1.72 0.00 0.00 179.24 179.07 1ban n VAL 45 N -4.19 0.52 -3.07 -1.35 0.24 -1.08 -4.59 118.33 104.80 1ban n VAL 45 Ca -0.10 -0.50 -0.17 0.00 -2.04 0.00 0.00 64.34 61.53 1ban n VAL 45 Cb 0.69 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.79 1ban n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ban n ALA 46 N -2.13 1.31 -1.55 2.33 0.00 0.12 -4.90 120.51 115.69 1ban n ALA 46 Ca 0.00 -2.89 -0.55 0.00 0.00 0.00 0.00 53.44 50.00 1ban n ALA 46 Cb 0.53 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 1ban n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ban n PRO 47 N 0.61 0.64 -0.99 0.00 -0.02 -1.16 -2.18 135.00 131.90 1ban n PRO 47 Ca 0.19 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ban n PRO 47 Cb 0.64 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1ban n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ban n GLY 48 N 2.10 0.76 3.88 -1.23 0.00 -1.26 -5.04 105.19 104.40 1ban n GLY 48 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1ban n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ban s LYS 49 N -0.03 3.23 0.16 1.61 -0.14 -0.93 -4.84 119.74 118.80 1ban s LYS 49 Ca 0.00 -0.61 0.09 0.00 -1.36 0.00 0.00 55.97 54.09 1ban s LYS 49 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 1ban s LYS 49 CO 0.00 0.55 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.82 1ban s SER 50 N -2.80 2.81 -0.11 2.83 0.01 0.30 -4.86 113.70 111.87 1ban s SER 50 Ca 0.33 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.47 1ban s SER 50 Cb -0.12 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 1ban s SER 50 CO 0.26 0.02 1.00 -0.63 0.41 0.00 0.00 173.24 174.29 1ban s ILE 51 N -1.78 4.79 -0.22 1.44 -1.09 -1.26 -1.00 121.20 122.08 1ban s ILE 51 Ca 0.15 2.02 -0.27 0.00 -2.23 0.00 0.00 60.65 60.32 1ban s ILE 51 Cb -0.07 -4.30 0.10 0.00 -1.58 0.00 0.00 42.46 36.60 1ban s ILE 51 CO 0.07 0.01 0.87 -0.83 -1.23 0.00 0.00 174.94 173.83 1ban s GLY 52 N 1.10 -0.36 0.00 6.18 0.00 -0.60 -0.09 107.32 113.55 1ban s GLY 52 Ca 0.48 2.16 0.00 0.00 0.00 0.00 0.00 44.72 47.36 1ban s GLY 52 CO 0.18 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.44 1ban n GLY 53 N 1.93 1.59 3.87 0.20 0.00 0.27 -3.50 105.19 109.56 1ban n GLY 53 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1ban n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ban s ASP 54 N -2.00 6.53 0.36 1.61 1.01 -1.25 -4.80 116.67 118.14 1ban s ASP 54 Ca 0.00 1.14 -0.28 0.00 0.71 0.00 0.00 52.55 54.12 1ban s ASP 54 Cb 0.00 -2.33 -0.10 0.00 1.01 0.00 0.00 42.92 41.50 1ban s ASP 54 CO 0.00 -0.39 1.35 -0.63 0.21 0.00 0.00 175.17 175.71 1ban s ILE 55 N -2.36 2.53 -0.19 0.77 1.01 -1.26 -0.34 121.20 121.36 1ban s ILE 55 Ca 0.51 0.52 -0.08 0.00 0.00 0.00 0.00 60.65 61.60 1ban s ILE 55 Cb -0.10 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1ban s ILE 55 CO 0.31 0.11 0.08 0.12 0.00 0.00 0.00 174.94 175.56 1ban s PHE 56 N -1.17 3.31 0.24 3.97 5.36 0.18 -4.75 117.98 125.12 1ban s PHE 56 Ca 0.52 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.69 1ban s PHE 56 Cb -0.41 -2.10 0.27 0.00 -0.34 0.00 0.00 43.02 40.43 1ban s PHE 56 CO 0.54 0.20 1.58 1.03 -1.46 0.00 0.00 175.22 177.12 1ban h SER 57 N 6.67 0.33 -4.90 6.13 0.87 -1.95 -3.37 113.55 117.32 1ban h SER 57 Ca -0.38 -0.17 -0.33 0.00 -1.23 0.00 0.00 61.79 59.67 1ban h SER 57 Cb 1.16 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 1ban h SER 57 CO 0.72 0.81 -0.48 -3.20 -0.53 0.00 0.00 176.83 174.16 1ban n ASN 58 N -3.92 -3.91 0.29 6.23 5.15 -1.26 -4.82 115.26 113.02 1ban n ASN 58 Ca -0.02 -0.20 0.18 0.00 -0.60 0.00 0.00 54.58 53.94 1ban n ASN 58 Cb 0.59 -3.26 0.98 0.00 -0.53 0.00 0.00 39.78 37.56 1ban n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1ban h ARG 59 N -0.72 0.00 -0.02 1.20 3.08 -2.00 -1.67 114.38 114.25 1ban h ARG 59 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1ban h ARG 59 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1ban h ARG 59 CO 0.47 0.00 -0.22 0.39 -1.07 0.00 0.00 179.97 179.54 1ban n GLU 60 N -3.57 1.77 -1.98 0.04 1.02 -1.26 -4.98 120.64 111.68 1ban n GLU 60 Ca -0.02 -1.46 -0.14 0.00 -0.02 0.00 0.00 57.16 55.52 1ban n GLU 60 Cb 0.15 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 1ban n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ban n GLY 61 N 1.35 0.34 0.16 0.62 0.00 -0.63 -4.88 105.19 102.16 1ban n GLY 61 Ca 0.11 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.82 1ban n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ban h LYS 62 N 0.00 0.00 -6.41 1.61 1.57 -1.94 -3.43 116.57 107.96 1ban h LYS 62 Ca -0.32 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.82 1ban h LYS 62 Cb 1.13 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.31 1ban h LYS 62 CO 0.40 0.50 -0.69 -0.51 -0.57 0.00 0.00 179.45 178.59 1ban s LEU 63 N -7.78 3.29 0.09 2.94 1.43 -1.26 -4.94 118.68 112.45 1ban s LEU 63 Ca -0.02 -0.30 -0.35 0.00 -1.03 0.00 0.00 54.13 52.43 1ban s LEU 63 Cb 0.13 -2.02 -0.15 0.00 0.03 0.00 0.00 46.19 44.19 1ban s LEU 63 CO 0.74 0.15 1.54 -0.81 0.23 0.00 0.00 176.35 178.20 1ban n PRO 64 N 0.43 1.78 -4.01 1.29 -0.04 -1.26 -4.98 135.00 128.21 1ban n PRO 64 Ca -0.11 0.64 -0.30 0.00 -0.04 0.00 0.00 63.50 63.69 1ban n PRO 64 Cb 0.53 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.56 1ban n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ban s GLY 65 N 1.21 2.01 -0.17 0.55 0.00 -1.26 -5.08 107.32 104.59 1ban s GLY 65 Ca 0.83 -0.99 -0.30 0.00 0.00 0.00 0.00 44.72 44.26 1ban s GLY 65 CO 0.43 -0.97 0.99 1.25 0.00 0.00 0.00 173.10 174.80 1ban s LYS 66 N -2.58 0.60 0.15 2.90 2.20 -1.26 -5.10 119.74 116.65 1ban s LYS 66 Ca 0.32 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 1ban s LYS 66 Cb -0.12 0.28 -0.07 0.00 -1.51 0.00 0.00 37.83 36.41 1ban s LYS 66 CO 0.24 -0.18 1.21 0.45 -0.36 0.00 0.00 175.35 176.72 1ban s SER 67 N -1.01 7.06 0.00 1.43 0.15 -1.26 -2.78 113.70 117.29 1ban s SER 67 Ca -0.02 2.19 0.00 0.00 0.70 0.00 0.00 55.95 58.82 1ban s SER 67 Cb -0.01 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1ban s SER 67 CO 0.01 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1ban n GLY 68 N 2.53 2.42 3.83 9.45 0.00 -1.26 -5.05 105.19 117.11 1ban n GLY 68 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1ban n GLY 68 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ban s ARG 69 N -0.51 4.00 0.11 1.61 1.70 -1.12 -4.95 118.95 119.80 1ban s ARG 69 Ca 0.00 0.50 0.08 0.00 -0.47 0.00 0.00 55.73 55.84 1ban s ARG 69 Cb 0.00 -3.15 -0.04 0.00 -0.57 0.00 0.00 34.95 31.20 1ban s ARG 69 CO 0.00 0.62 -0.20 0.95 -1.08 0.00 0.00 175.30 175.59 1ban s THR 70 N -1.20 1.71 -0.06 4.99 -4.23 -1.26 -4.84 115.64 110.75 1ban s THR 70 Ca 0.29 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.21 1ban s THR 70 Cb -0.17 -1.60 -0.03 0.00 1.34 0.00 0.00 72.50 72.04 1ban s THR 70 CO 0.17 -0.12 -0.11 0.26 -0.54 0.00 0.00 174.62 174.27 1ban s TRP 71 N -1.36 2.81 0.15 3.99 0.52 -1.26 -1.42 118.94 122.38 1ban s TRP 71 Ca 0.08 -0.10 0.08 0.00 0.02 0.00 0.00 56.10 56.18 1ban s TRP 71 Cb -0.09 -1.68 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1ban s TRP 71 CO 0.05 0.23 -0.18 1.03 0.02 0.00 0.00 176.95 178.10 1ban s ARG 72 N -0.71 1.22 0.32 4.98 0.52 -0.01 0.48 118.95 125.75 1ban s ARG 72 Ca 0.11 -1.35 0.10 0.00 -0.52 0.00 0.00 55.73 54.06 1ban s ARG 72 Cb -0.11 -1.26 -0.06 0.00 0.52 0.00 0.00 34.95 34.04 1ban s ARG 72 CO 0.01 0.26 -0.12 -1.83 0.02 0.00 0.00 175.30 173.63 1ban s GLU 73 N -2.69 1.76 -0.17 3.54 -1.05 0.54 -1.29 118.70 119.34 1ban s GLU 73 Ca 0.14 -1.88 -0.15 0.00 -0.15 0.00 0.00 54.97 52.92 1ban s GLU 73 Cb -0.06 -1.69 0.04 0.00 -0.44 0.00 0.00 34.13 31.99 1ban s GLU 73 CO 0.06 0.19 0.44 0.00 0.95 0.00 0.00 175.26 176.90 1ban s ALA 74 N -2.61 -1.10 0.31 -0.84 0.00 -0.83 0.95 121.76 117.66 1ban s ALA 74 Ca 0.31 1.26 -0.28 0.00 0.00 0.00 0.00 51.96 53.25 1ban s ALA 74 Cb 0.00 -0.73 -0.09 0.00 0.00 0.00 0.00 23.12 22.30 1ban s ALA 74 CO 0.16 -0.21 1.08 -0.51 0.00 0.00 0.00 175.76 176.28 1ban s ASP 75 N 0.24 7.12 0.03 0.00 1.11 0.87 -1.08 116.67 124.96 1ban s ASP 75 Ca -0.00 2.20 0.08 0.00 0.18 0.00 0.00 52.55 55.01 1ban s ASP 75 Cb -0.03 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1ban s ASP 75 CO 0.01 -0.24 -0.22 -0.63 1.18 0.00 0.00 175.17 175.26 1ban s ILE 76 N -1.30 1.79 -1.67 0.77 -1.09 -0.79 -4.74 121.20 114.18 1ban s ILE 76 Ca 0.48 -1.18 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 1ban s ILE 76 Cb -0.29 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1ban s ILE 76 CO 0.37 0.31 0.00 0.59 -1.23 0.00 0.00 174.94 174.98 1ban n ASN 77 N 1.99 -5.39 -4.76 3.58 3.02 0.41 -4.39 115.26 109.71 1ban n ASN 77 Ca -0.17 0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.05 1ban n ASN 77 Cb 0.53 -4.46 -0.05 0.00 -0.61 0.00 0.00 39.78 35.18 1ban n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ban s TYR 78 N -2.90 3.83 0.09 3.10 5.04 -1.26 -4.89 117.35 120.37 1ban s TYR 78 Ca 0.00 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 1ban s TYR 78 Cb 0.00 -2.81 0.00 0.00 0.35 0.00 0.00 41.96 39.50 1ban s TYR 78 CO 0.00 0.39 0.00 0.25 -1.34 0.00 0.00 175.55 174.85 1ban n THR 79 N 2.20 0.12 -3.67 4.34 -2.24 -1.26 -4.97 114.28 108.79 1ban n THR 79 Ca -0.04 0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1ban n THR 79 Cb 0.49 -0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 1ban n THR 79 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ban s SER 80 N -5.09 -0.30 0.00 3.42 0.15 -1.26 -4.78 113.70 105.84 1ban s SER 80 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ban s SER 80 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1ban s SER 80 CO 0.00 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1ban n GLY 81 N -0.32 -0.77 3.79 9.45 0.00 -1.26 -4.93 105.19 111.16 1ban n GLY 81 Ca -0.12 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 1ban n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ban s PHE 82 N 0.00 2.92 0.43 1.61 0.08 -1.26 -4.46 117.98 117.29 1ban s PHE 82 Ca 0.00 1.54 -0.26 0.00 0.12 0.00 0.00 56.93 58.33 1ban s PHE 82 Cb 0.00 -3.08 -0.09 0.00 -0.57 0.00 0.00 43.02 39.29 1ban s PHE 82 CO 0.00 -1.13 1.38 1.03 -0.10 0.00 0.00 175.22 176.41 1ban s ARG 83 N -3.68 3.82 0.00 0.44 0.52 -1.26 -5.01 118.95 113.78 1ban s ARG 83 Ca 0.66 2.33 0.00 0.00 -0.52 0.00 0.00 55.73 58.20 1ban s ARG 83 Cb -0.18 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.58 1ban s ARG 83 CO 0.30 -0.68 0.00 0.27 0.02 0.00 0.00 175.30 175.22 1ban n ASN 84 N -0.03 0.00 -0.36 0.23 0.23 -1.26 -5.03 115.26 109.04 1ban n ASN 84 Ca 0.04 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.14 1ban n ASN 84 Cb 0.42 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.17 1ban n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1ban n SER 85 N 0.00 1.83 -4.74 0.53 7.64 -1.26 -4.97 113.62 112.65 1ban n SER 85 Ca 0.00 -1.43 -0.39 0.00 1.01 0.00 0.00 58.87 58.05 1ban n SER 85 Cb 0.00 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 1ban n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ban s ASP 86 N -0.75 7.06 -0.03 6.43 1.01 -1.26 -2.28 116.67 126.85 1ban s ASP 86 Ca 0.11 1.26 -0.11 0.00 0.71 0.00 0.00 52.55 54.53 1ban s ASP 86 Cb 0.07 -2.41 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1ban s ASP 86 CO 0.11 0.01 0.24 -0.13 0.21 0.00 0.00 175.17 175.60 1ban s ARG 87 N 0.16 0.51 -0.08 8.23 1.81 -0.60 -1.88 118.95 127.10 1ban s ARG 87 Ca 0.35 -0.12 -0.04 0.00 -1.72 0.00 0.00 55.73 54.21 1ban s ARG 87 Cb -0.19 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.50 1ban s ARG 87 CO 0.19 -0.12 0.09 -1.50 -0.68 0.00 0.00 175.30 173.28 1ban s ILE 88 N -0.96 5.01 -0.07 1.52 2.07 -0.24 -1.57 121.20 126.96 1ban s ILE 88 Ca -0.10 -0.06 0.01 0.00 -1.41 0.00 0.00 60.65 59.09 1ban s ILE 88 Cb -0.05 -3.19 0.02 0.00 0.13 0.00 0.00 42.46 39.36 1ban s ILE 88 CO 0.02 0.55 -0.08 -0.76 -1.91 0.00 0.00 174.94 172.76 1ban s LEU 89 N -1.18 1.36 0.00 8.50 2.01 -0.38 -1.96 118.68 127.04 1ban s LEU 89 Ca 0.17 -0.24 0.01 0.00 0.01 0.00 0.00 54.13 54.08 1ban s LEU 89 Cb -0.12 -0.70 -0.00 0.00 0.01 0.00 0.00 46.19 45.38 1ban s LEU 89 CO 0.06 -0.05 -0.04 -0.72 1.01 0.00 0.00 176.35 176.62 1ban s TYR 90 N 1.09 0.31 0.34 0.29 1.13 -0.41 -0.63 117.35 119.47 1ban s TYR 90 Ca -0.07 -0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.53 1ban s TYR 90 Cb -0.14 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1ban s TYR 90 CO -0.01 -0.01 0.51 0.00 -2.51 0.00 0.00 175.55 173.53 1ban s ALA 91 N -0.18 3.93 0.56 9.51 0.00 -0.88 -0.83 121.76 133.86 1ban s ALA 91 Ca 0.00 -1.18 0.25 0.00 0.00 0.00 0.00 51.96 51.03 1ban s ALA 91 Cb -0.02 -1.90 1.50 0.00 0.00 0.00 0.00 23.12 22.70 1ban s ALA 91 CO -0.00 -0.05 2.09 0.66 0.00 0.00 0.00 175.76 178.46 1ban h SER 92 N 0.81 0.00 -0.60 0.00 4.64 -1.60 0.26 113.55 117.07 1ban h SER 92 Ca -0.48 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.59 1ban h SER 92 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1ban h SER 92 CO 0.58 0.00 0.20 -0.90 -0.87 0.00 0.00 176.83 175.84 1ban n ASP 93 N -4.15 3.60 -3.18 4.97 5.75 -1.26 -4.94 116.55 117.33 1ban n ASP 93 Ca 0.03 -3.48 -0.23 0.00 -0.01 0.00 0.00 54.79 51.09 1ban n ASP 93 Cb 0.34 -0.70 0.03 0.00 -1.03 0.00 0.00 41.12 39.76 1ban n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1ban n TRP 94 N -0.80 -2.08 -2.68 2.11 7.02 0.91 -5.00 117.44 116.92 1ban n TRP 94 Ca 0.40 0.59 -0.39 0.00 -1.02 0.00 0.00 57.50 57.08 1ban n TRP 94 Cb 1.26 -4.31 -0.06 0.00 -2.42 0.00 0.00 31.31 25.78 1ban n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1ban s LEU 95 N -6.77 4.53 -0.14 -0.99 1.43 -1.26 -4.85 118.68 110.62 1ban s LEU 95 Ca 0.37 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.48 1ban s LEU 95 Cb -0.17 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.33 1ban s LEU 95 CO 0.46 -0.00 -0.15 -0.63 0.23 0.00 0.00 176.35 176.26 1ban s ILE 96 N -1.30 1.59 0.43 -0.59 1.01 -0.71 -2.06 121.20 119.57 1ban s ILE 96 Ca 0.45 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1ban s ILE 96 Cb -0.26 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 1ban s ILE 96 CO 0.32 0.46 0.03 -0.31 0.00 0.00 0.00 174.94 175.44 1ban s TYR 97 N 1.38 2.10 0.02 3.97 1.51 0.20 0.49 117.35 127.02 1ban s TYR 97 Ca 0.03 -0.90 -0.09 0.00 -1.01 0.00 0.00 57.07 55.10 1ban s TYR 97 Cb -0.13 -1.56 0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1ban s TYR 97 CO -0.09 0.21 0.19 -1.59 -1.11 0.00 0.00 175.55 173.16 1ban s LYS 98 N -3.80 0.63 0.02 -0.62 -2.85 -0.60 -1.25 119.74 111.28 1ban s LYS 98 Ca 0.23 -0.53 0.04 0.00 -1.00 0.00 0.00 55.97 54.70 1ban s LYS 98 Cb 0.06 0.26 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1ban s LYS 98 CO 0.12 -0.17 -0.12 -0.08 0.10 0.00 0.00 175.35 175.19 1ban s THR 99 N -2.15 0.92 0.00 3.79 -1.32 -0.61 -1.99 115.64 114.28 1ban s THR 99 Ca -0.08 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1ban s THR 99 Cb -0.03 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 1ban s THR 99 CO -0.02 0.03 0.86 0.35 -2.21 0.00 0.00 174.62 173.63 1ban n THR 100 N 2.19 0.73 -1.92 5.08 -2.24 -1.26 -1.56 114.28 115.30 1ban n THR 100 Ca -0.17 -0.75 0.03 0.00 -2.27 0.00 0.00 64.05 60.89 1ban n THR 100 Cb 0.55 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 69.49 1ban n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ban n ASP 101 N -0.36 0.83 -1.31 3.42 5.68 -1.20 -4.64 116.55 118.97 1ban n ASP 101 Ca 0.00 -2.38 -0.05 0.00 -0.50 0.00 0.00 54.79 51.87 1ban n ASP 101 Cb 0.29 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 39.99 1ban n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ban n HIS 102 N -0.24 -0.57 -1.27 2.11 8.25 -0.97 -3.62 115.22 118.91 1ban n HIS 102 Ca 0.06 0.22 -0.09 0.00 -0.26 0.00 0.00 57.72 57.64 1ban n HIS 102 Cb 0.80 -2.18 -0.04 0.00 1.12 0.00 0.00 29.99 29.68 1ban n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ban n TYR 103 N -2.52 0.00 -0.03 4.41 4.01 -1.26 -4.92 117.16 116.84 1ban n TYR 103 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1ban n TYR 103 Cb 0.52 -2.06 -0.07 0.00 -0.31 0.00 0.00 39.34 37.42 1ban n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1ban h GLN 104 N 0.11 0.71 -4.14 -0.72 4.20 -1.97 -3.46 115.11 109.84 1ban h GLN 104 Ca -0.19 -0.57 -0.16 0.00 0.06 0.00 0.00 58.65 57.79 1ban h GLN 104 Cb 0.80 0.12 -0.19 0.00 0.30 0.00 0.00 27.48 28.51 1ban h GLN 104 CO 0.28 1.18 -0.70 0.95 -0.67 0.00 0.00 178.83 179.88 1ban s THR 105 N -3.76 0.20 0.07 -0.54 -4.23 -1.26 -5.11 115.64 101.01 1ban s THR 105 Ca -0.11 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1ban s THR 105 Cb 0.08 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.13 1ban s THR 105 CO 0.88 -0.67 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.82 1ban s PHE 106 N -2.35 0.99 -0.12 3.99 0.40 -1.26 -4.38 117.98 115.25 1ban s PHE 106 Ca -0.07 -0.53 0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1ban s PHE 106 Cb -0.03 -0.56 0.01 0.00 0.51 0.00 0.00 43.02 42.94 1ban s PHE 106 CO -0.04 -0.01 -0.21 0.99 0.70 0.00 0.00 175.22 176.66 1ban s THR 107 N -1.64 1.89 0.29 0.64 2.01 -0.84 -4.94 115.64 113.05 1ban s THR 107 Ca -0.03 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 1ban s THR 107 Cb -0.08 -1.67 -0.10 0.00 0.01 0.00 0.00 72.50 70.66 1ban s THR 107 CO 0.01 0.52 1.34 -0.75 -0.69 0.00 0.00 174.62 175.05 1ban s LYS 108 N 0.69 4.34 0.00 4.92 2.20 -1.26 -1.55 119.74 129.07 1ban s LYS 108 Ca -0.11 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.71 1ban s LYS 108 Cb -0.16 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1ban s LYS 108 CO 0.02 -0.25 0.23 0.44 -0.36 0.00 0.00 175.35 175.43 1ban n ILE 109 N 1.42 0.00 -1.96 5.43 -5.35 0.18 -4.92 119.36 114.16 1ban n ILE 109 Ca 0.02 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1ban n ILE 109 Cb 0.42 1.48 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 1ban n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33