#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ieb s LYS 3 N 0.00 3.16 0.16 -0.78 1.02 -1.26 -4.94 119.74 117.10 3ieb s LYS 3 Ca 0.00 1.48 -0.03 0.00 0.02 0.00 0.00 55.97 57.45 3ieb s LYS 3 Cb 0.00 -1.99 0.04 0.00 -0.52 0.00 0.00 37.83 35.36 3ieb s LYS 3 CO 0.00 -0.98 0.09 -2.30 -0.92 0.00 0.00 175.35 171.24 3ieb n PRO 4 N -1.77 -2.10 -4.17 -1.68 -0.02 -1.25 -4.92 135.00 119.09 3ieb n PRO 4 Ca 0.11 -0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.19 3ieb n PRO 4 Cb 0.52 -0.21 -0.17 0.00 -0.02 0.00 0.00 33.50 33.62 3ieb n PRO 4 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ieb s ILE 6 N -1.07 0.89 -0.04 4.25 -1.09 -1.26 -4.88 121.20 117.99 3ieb s ILE 6 Ca 0.07 -0.27 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 3ieb s ILE 6 Cb -0.01 -0.89 -0.01 0.00 -1.58 0.00 0.00 42.46 39.97 3ieb s ILE 6 CO 0.06 0.32 -0.25 -1.58 -1.23 0.00 0.00 174.94 172.27 3ieb s GLN 7 N 1.23 2.33 -0.16 2.79 0.74 -0.42 -0.61 119.66 125.57 3ieb s GLN 7 Ca -0.05 -0.89 -0.06 0.00 0.05 0.00 0.00 55.36 54.42 3ieb s GLN 7 Cb -0.14 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.87 3ieb s GLN 7 CO -0.02 0.43 0.03 -1.50 -0.55 0.00 0.00 175.29 173.68 3ieb s ILE 8 N -0.29 4.55 -0.39 -2.34 2.07 -0.40 -1.45 121.20 122.94 3ieb s ILE 8 Ca 0.01 -0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 58.95 3ieb s ILE 8 Cb -0.12 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.47 3ieb s ILE 8 CO 0.02 0.50 0.43 0.00 -1.91 0.00 0.00 174.94 173.98 3ieb s ALA 9 N 0.09 3.45 -0.26 1.50 0.00 -0.39 -0.78 121.76 125.37 3ieb s ALA 9 Ca 0.04 -1.37 -0.29 0.00 0.00 0.00 0.00 51.96 50.33 3ieb s ALA 9 Cb -0.13 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.01 3ieb s ALA 9 CO 0.01 -1.42 1.10 -0.51 0.00 0.00 0.00 175.76 174.94 3ieb s LEU 10 N 2.15 4.04 -0.10 0.00 1.43 0.01 -4.52 118.68 121.68 3ieb s LEU 10 Ca 0.13 1.30 0.14 0.00 -1.03 0.00 0.00 54.13 54.67 3ieb s LEU 10 Cb -0.17 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 42.79 3ieb s LEU 10 CO 0.13 -0.78 1.13 -0.90 0.23 0.00 0.00 176.35 176.16 3ieb n ASP 11 N 6.64 1.50 -4.77 2.29 5.75 -1.26 -1.11 116.55 125.58 3ieb n ASP 11 Ca 0.12 -2.90 -0.36 0.00 -0.01 0.00 0.00 54.79 51.65 3ieb n ASP 11 Cb 0.46 -0.38 0.01 0.00 -1.03 0.00 0.00 41.12 40.17 3ieb n ASP 11 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3ieb s GLN 12 N -1.95 3.34 0.00 0.11 1.11 -1.26 -4.70 119.66 116.32 3ieb s GLN 12 Ca 0.26 1.68 0.23 0.00 0.01 0.00 0.00 55.36 57.54 3ieb s GLN 12 Cb 0.25 -2.05 0.49 0.00 -1.01 0.00 0.00 33.01 30.69 3ieb s GLN 12 CO -0.03 -0.87 1.44 0.25 0.01 0.00 0.00 175.29 176.09 3ieb n THR 13 N -1.23 0.55 -3.91 -0.19 -2.24 -1.26 -3.80 114.28 102.20 3ieb n THR 13 Ca 0.11 -0.74 -0.09 0.00 -2.27 0.00 0.00 64.05 61.07 3ieb n THR 13 Cb 0.50 0.82 -0.09 0.00 -2.10 0.00 0.00 70.33 69.46 3ieb n THR 13 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ieb s ASN 14 N -1.40 0.17 0.17 3.42 4.22 -1.26 -4.86 114.94 115.40 3ieb s ASN 14 Ca 0.39 -0.59 -0.04 0.00 -2.14 0.00 0.00 52.86 50.48 3ieb s ASN 14 Cb 0.22 0.27 0.05 0.00 1.28 0.00 0.00 41.25 43.07 3ieb s ASN 14 CO 0.31 -0.59 1.45 0.25 -2.04 0.00 0.00 177.10 176.48 3ieb h LEU 15 N 3.31 0.63 -0.49 3.54 5.85 -1.95 -2.70 115.31 123.50 3ieb h LEU 15 Ca -0.33 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.06 3ieb h LEU 15 Cb 1.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3ieb h LEU 15 CO 0.53 1.11 0.23 0.74 -0.34 0.00 0.00 178.44 180.72 3ieb h THR 16 N 0.40 0.94 -0.23 1.05 2.02 -1.99 0.11 112.91 115.21 3ieb h THR 16 Ca -0.01 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.83 3ieb h THR 16 Cb 1.22 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 3ieb h THR 16 CO 0.12 0.08 -0.56 0.44 0.37 0.00 0.00 175.52 175.97 3ieb h ASP 17 N 0.46 0.79 -0.66 4.18 3.32 -1.98 -1.82 116.42 120.72 3ieb h ASP 17 Ca 0.22 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3ieb h ASP 17 Cb 0.14 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3ieb h ASP 17 CO -0.16 1.19 0.41 0.00 -1.72 0.00 0.00 179.24 178.95 3ieb h ALA 18 N 0.83 0.84 -0.65 3.45 0.00 -1.13 -1.03 119.26 121.56 3ieb h ALA 18 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3ieb h ALA 18 Cb 1.14 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 3ieb h ALA 18 CO 0.11 0.31 0.15 0.28 0.00 0.00 0.00 179.25 180.10 3ieb h VAL 19 N 0.90 1.26 -0.47 0.00 2.07 -0.60 -0.47 116.25 118.94 3ieb h VAL 19 Ca 0.24 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 3ieb h VAL 19 Cb -0.04 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3ieb h VAL 19 CO -0.05 0.36 0.12 0.00 0.02 0.00 0.00 177.57 178.03 3ieb h ALA 20 N 1.06 0.61 -0.33 1.67 0.00 -1.07 -1.49 119.26 119.71 3ieb h ALA 20 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3ieb h ALA 20 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3ieb h ALA 20 CO 0.00 0.29 0.17 0.28 0.00 0.00 0.00 179.25 180.00 3ieb h VAL 21 N 0.62 1.14 -0.68 0.00 2.07 -0.94 -1.80 116.25 116.66 3ieb h VAL 21 Ca 0.15 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3ieb h VAL 21 Cb 0.31 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 3ieb h VAL 21 CO -0.00 0.14 0.43 0.00 0.02 0.00 0.00 177.57 178.16 3ieb h ALA 22 N 1.04 0.87 -0.95 1.67 0.00 -0.96 -1.28 119.26 119.64 3ieb h ALA 22 Ca 0.12 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3ieb h ALA 22 Cb 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3ieb h ALA 22 CO -0.02 0.32 0.63 1.03 0.00 0.00 0.00 179.25 181.21 3ieb h SER 23 N 0.92 1.06 0.78 0.00 0.87 -1.08 -0.64 113.55 115.46 3ieb h SER 23 Ca 0.25 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.62 3ieb h SER 23 Cb -0.06 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 3ieb h SER 23 CO -0.05 0.74 -0.82 0.78 -0.53 0.00 0.00 176.83 176.95 3ieb h ASN 24 N 1.24 0.04 0.02 6.23 -0.26 -0.39 -3.32 115.58 119.14 3ieb h ASN 24 Ca 0.37 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 3ieb h ASN 24 Cb -0.06 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 3ieb h ASN 24 CO -0.10 0.84 -0.95 1.33 -1.06 0.00 0.00 177.43 177.49 3ieb n VAL 25 N -3.58 0.00 -0.28 2.81 0.24 -0.58 -4.68 118.33 112.26 3ieb n VAL 25 Ca -0.01 -0.01 0.08 0.00 -2.04 0.00 0.00 64.34 62.35 3ieb n VAL 25 Cb 0.79 0.97 0.23 0.00 -1.47 0.00 0.00 33.84 34.35 3ieb n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ieb h ALA 26 N 3.04 1.21 0.00 2.33 0.00 -1.22 -1.29 119.26 123.33 3ieb h ALA 26 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ieb h ALA 26 Cb 0.51 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3ieb h ALA 26 CO 0.00 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 177.92 3ieb n SER 27 N -4.98 0.23 -0.00 0.00 3.41 -1.26 -3.41 113.62 107.61 3ieb n SER 27 Ca 0.17 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 3ieb n SER 27 Cb 0.48 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3ieb n SER 27 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ieb n TYR 28 N -1.74 0.00 -5.30 7.33 0.18 -0.54 -5.03 117.16 112.06 3ieb n TYR 28 Ca 0.04 -0.28 -0.31 0.00 1.88 0.00 0.00 57.90 59.22 3ieb n TYR 28 Cb 0.23 -0.03 -0.16 0.00 -0.38 0.00 0.00 39.34 39.00 3ieb n TYR 28 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3ieb s VAL 29 N -0.57 2.05 -0.05 -3.48 1.01 -0.91 -4.96 120.40 113.50 3ieb s VAL 29 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 60.91 3ieb s VAL 29 Cb 0.00 -1.71 -0.25 0.00 0.00 0.00 0.00 36.38 34.42 3ieb s VAL 29 CO 0.00 0.58 0.66 0.44 0.00 0.00 0.00 175.10 176.77 3ieb h ASP 30 N 5.63 0.21 -3.44 3.32 3.32 -1.16 -3.46 116.42 120.85 3ieb h ASP 30 Ca -0.40 -0.39 -0.52 0.00 0.02 0.00 0.00 57.03 55.73 3ieb h ASP 30 Cb 1.13 -0.07 -0.33 0.00 0.22 0.00 0.00 39.33 40.28 3ieb h ASP 30 CO 0.47 1.35 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.83 3ieb s VAL 31 N -2.60 1.20 -0.22 -1.35 1.01 -0.75 -3.56 120.40 114.13 3ieb s VAL 31 Ca -0.10 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3ieb s VAL 31 Cb 0.07 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3ieb s VAL 31 CO 0.82 0.37 0.05 -0.63 0.00 0.00 0.00 175.10 175.70 3ieb s ILE 32 N 0.61 4.27 -0.16 2.22 1.01 -0.35 -1.27 121.20 127.54 3ieb s ILE 32 Ca -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 3ieb s ILE 32 Cb -0.16 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 3ieb s ILE 32 CO 0.04 0.39 -0.05 -0.70 0.00 0.00 0.00 174.94 174.62 3ieb s GLU 33 N 1.22 3.61 -0.65 2.79 2.12 0.04 -0.64 118.70 127.19 3ieb s GLU 33 Ca 0.04 -0.55 -0.27 0.00 0.36 0.00 0.00 54.97 54.55 3ieb s GLU 33 Cb -0.14 -2.88 0.04 0.00 0.26 0.00 0.00 34.13 31.40 3ieb s GLU 33 CO 0.03 0.21 1.17 0.08 -0.54 0.00 0.00 175.26 176.20 3ieb s VAL 34 N 0.44 3.97 0.73 3.70 1.01 0.73 -0.81 120.40 130.17 3ieb s VAL 34 Ca -0.05 0.48 -0.12 0.00 0.00 0.00 0.00 61.98 62.29 3ieb s VAL 34 Cb -0.14 -4.78 0.04 0.00 0.00 0.00 0.00 36.38 31.49 3ieb s VAL 34 CO 0.03 -1.54 1.10 -0.83 0.00 0.00 0.00 175.10 173.85 3ieb s GLY 35 N 3.35 1.83 0.42 4.51 0.00 -0.27 -0.86 107.32 116.30 3ieb s GLY 35 Ca 0.36 0.35 0.16 0.00 0.00 0.00 0.00 44.72 45.59 3ieb s GLY 35 CO 0.19 0.70 1.90 -0.84 0.00 0.00 0.00 173.10 175.04 3ieb h THR 36 N -0.75 0.77 -0.41 0.90 2.02 -1.81 -0.34 112.91 113.28 3ieb h THR 36 Ca -0.45 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 3ieb h THR 36 Cb 1.24 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3ieb h THR 36 CO 0.52 0.08 0.11 0.40 0.37 0.00 0.00 175.52 177.00 3ieb h ILE 37 N 0.44 1.22 -0.26 3.11 2.04 -1.89 0.13 117.51 122.32 3ieb h ILE 37 Ca 0.41 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.38 3ieb h ILE 37 Cb 0.93 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3ieb h ILE 37 CO -0.14 0.27 -0.35 0.25 0.00 0.00 0.00 178.15 178.18 3ieb h LEU 38 N 0.52 0.75 -0.51 1.44 5.85 -1.42 -1.13 115.31 120.82 3ieb h LEU 38 Ca 0.13 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.39 3ieb h LEU 38 Cb 0.29 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 3ieb h LEU 38 CO -0.00 1.11 0.25 0.00 -0.34 0.00 0.00 178.44 179.45 3ieb h ALA 39 N 0.66 0.64 -0.07 1.25 0.00 -0.89 0.03 119.26 120.89 3ieb h ALA 39 Ca 0.03 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3ieb h ALA 39 Cb 0.93 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3ieb h ALA 39 CO 0.08 -0.10 -0.64 0.74 0.00 0.00 0.00 179.25 179.33 3ieb h PHE 40 N 0.49 0.34 -0.07 0.00 0.04 -0.97 0.39 116.94 117.16 3ieb h PHE 40 Ca 0.22 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3ieb h PHE 40 Cb 0.14 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 3ieb h PHE 40 CO -0.11 0.82 0.01 0.00 -0.60 0.00 0.00 178.31 178.44 3ieb h ALA 41 N 1.14 0.10 0.00 2.45 0.00 -0.69 -3.38 119.26 118.88 3ieb h ALA 41 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ieb h ALA 41 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ieb h ALA 41 CO 0.10 -0.26 -0.90 0.39 0.00 0.00 0.00 179.25 178.58 3ieb n GLU 42 N -4.89 2.02 0.00 0.00 -0.58 -0.05 -5.04 120.64 112.11 3ieb n GLU 42 Ca -0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 3ieb n GLU 42 Cb 0.16 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 3ieb n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ieb n GLY 43 N 1.78 1.57 4.34 0.62 0.00 0.14 -4.35 105.19 109.28 3ieb n GLY 43 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ieb n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3ieb n LYS 45 N 0.00 0.00 -0.11 1.61 4.81 -1.26 -4.14 118.16 119.07 3ieb n LYS 45 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 3ieb n LYS 45 Cb 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 35.03 34.19 3ieb n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ieb h ALA 46 N 0.00 0.44 -0.26 3.14 0.00 -1.92 0.47 119.26 121.13 3ieb h ALA 46 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ieb h ALA 46 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ieb h ALA 46 CO 0.00 -0.04 -0.00 0.28 0.00 0.00 0.00 179.25 179.48 3ieb h VAL 47 N 0.43 1.26 -0.09 0.00 2.07 -1.90 -1.74 116.25 116.29 3ieb h VAL 47 Ca 0.12 -0.92 -0.17 0.00 0.82 0.00 0.00 66.70 66.56 3ieb h VAL 47 Cb 0.04 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3ieb h VAL 47 CO -0.02 0.29 -0.66 0.77 0.02 0.00 0.00 177.57 177.97 3ieb h SER 48 N 0.24 0.40 -0.07 0.57 4.64 -1.52 0.18 113.55 117.99 3ieb h SER 48 Ca 0.07 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3ieb h SER 48 Cb 0.42 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3ieb h SER 48 CO 0.01 0.95 0.03 0.74 -0.87 0.00 0.00 176.83 177.70 3ieb h THR 49 N 0.25 1.12 -0.08 2.95 2.02 -0.88 -1.43 112.91 116.87 3ieb h THR 49 Ca -0.02 -0.36 -0.10 0.00 0.77 0.00 0.00 66.41 66.70 3ieb h THR 49 Cb 1.20 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3ieb h THR 49 CO 0.11 0.11 -0.42 -0.07 0.37 0.00 0.00 175.52 175.62 3ieb h LEU 50 N -0.02 0.18 -1.01 2.58 3.38 -1.09 -1.47 115.31 117.85 3ieb h LEU 50 Ca 0.03 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3ieb h LEU 50 Cb 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3ieb h LEU 50 CO -0.00 0.58 0.24 -0.09 0.09 0.00 0.00 178.44 179.25 3ieb h ARG 51 N 0.14 0.95 -0.24 1.13 9.65 -0.40 -1.83 114.38 123.79 3ieb h ARG 51 Ca 0.01 -0.16 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 3ieb h ARG 51 Cb 0.80 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3ieb h ARG 51 CO 0.06 0.79 -0.43 1.25 2.80 0.00 0.00 179.97 184.44 3ieb h HIS 52 N 0.93 0.89 0.00 2.20 2.76 -0.43 -3.12 115.15 118.38 3ieb h HIS 52 Ca 0.22 -0.31 -0.06 0.00 -2.20 0.00 0.00 60.37 58.02 3ieb h HIS 52 Cb 0.21 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 3ieb h HIS 52 CO 0.02 1.09 -0.27 -0.91 -1.30 0.00 0.00 177.93 176.56 3ieb h ASN 53 N 0.43 0.00 -2.02 3.26 2.35 -1.12 -3.36 115.58 115.12 3ieb h ASN 53 Ca 0.01 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.22 3ieb h ASN 53 Cb 1.03 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 39.00 3ieb h ASN 53 CO 0.10 0.27 -1.07 1.41 -1.65 0.00 0.00 177.43 176.49 3ieb n HIS 54 N -3.68 0.20 0.31 1.19 8.25 -0.70 -4.96 115.22 115.82 3ieb n HIS 54 Ca -0.01 -3.67 0.20 0.00 -0.26 0.00 0.00 57.72 53.97 3ieb n HIS 54 Cb 0.39 -0.39 0.93 0.00 1.12 0.00 0.00 29.99 32.04 3ieb n HIS 54 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3ieb h PRO 55 N 3.80 0.00 -0.27 -0.41 0.13 -1.69 -2.80 132.00 130.76 3ieb h PRO 55 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ieb h PRO 55 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ieb h PRO 55 CO 0.51 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.37 3ieb n ASN 56 N -3.03 3.25 -4.90 1.44 3.02 -1.26 -4.96 115.26 108.82 3ieb n ASN 56 Ca -0.01 -1.98 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 3ieb n ASN 56 Cb 0.18 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.14 3ieb n ASN 56 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3ieb s HIS 57 N -1.67 3.49 0.07 3.10 3.76 -1.06 -5.04 115.29 117.94 3ieb s HIS 57 Ca 0.35 0.51 -0.31 0.00 -0.15 0.00 0.00 55.06 55.47 3ieb s HIS 57 Cb 0.22 -1.97 -0.09 0.00 1.11 0.00 0.00 32.58 31.85 3ieb s HIS 57 CO 0.31 0.47 1.75 0.42 -0.85 0.00 0.00 174.74 176.84 3ieb s ILE 58 N -1.60 2.94 -0.14 0.60 1.01 -1.23 -4.93 121.20 117.85 3ieb s ILE 58 Ca 0.39 0.32 -0.02 0.00 0.00 0.00 0.00 60.65 61.34 3ieb s ILE 58 Cb -0.12 -3.20 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 3ieb s ILE 58 CO 0.24 -0.01 -0.07 -0.22 0.00 0.00 0.00 174.94 174.88 3ieb s LEU 59 N 3.06 3.05 -0.06 2.97 2.96 -1.26 -1.21 118.68 128.19 3ieb s LEU 59 Ca 0.78 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 3ieb s LEU 59 Cb -0.41 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.54 3ieb s LEU 59 CO 0.34 0.18 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.76 3ieb s VAL 60 N 0.27 3.35 -0.29 1.68 1.01 0.19 -0.70 120.40 125.92 3ieb s VAL 60 Ca -0.06 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3ieb s VAL 60 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.91 3ieb s VAL 60 CO 0.04 0.59 0.03 0.00 0.00 0.00 0.00 175.10 175.76 3ieb s ASP 62 N 1.39 6.73 0.00 0.00 2.15 -0.04 -2.36 116.67 124.53 3ieb s ASP 62 Ca -0.00 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.84 3ieb s ASP 62 Cb -0.18 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3ieb s ASP 62 CO -0.00 0.22 0.00 0.29 -0.17 0.00 0.00 175.17 175.51 3ieb n LYS 64 N 2.47 0.00 -1.66 4.34 5.02 -1.09 -3.00 118.16 124.24 3ieb n LYS 64 Ca -0.12 0.00 -0.56 0.00 -2.02 0.00 0.00 58.31 55.61 3ieb n LYS 64 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 3ieb n LYS 64 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3ieb n THR 65 N 0.00 0.18 -0.02 -0.18 -1.04 -1.02 -3.83 114.28 108.37 3ieb n THR 65 Ca 0.00 -0.03 -0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3ieb n THR 65 Cb 0.00 -1.04 -0.06 0.00 -1.82 0.00 0.00 70.33 67.41 3ieb n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3ieb n THR 66 N 3.74 0.26 -3.83 12.58 -1.04 -1.26 -0.36 114.28 124.37 3ieb n THR 66 Ca 0.23 -0.24 -0.06 0.00 -2.04 0.00 0.00 64.05 61.94 3ieb n THR 66 Cb 0.15 -0.31 -0.01 0.00 -1.82 0.00 0.00 70.33 68.34 3ieb n THR 66 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3ieb s ASP 67 N -3.40 -0.17 -1.44 8.00 -1.08 -1.26 -4.28 116.67 113.04 3ieb s ASP 67 Ca -0.03 -0.69 -0.09 0.00 -0.52 0.00 0.00 52.55 51.22 3ieb s ASP 67 Cb 0.03 0.69 0.02 0.00 -1.46 0.00 0.00 42.92 42.21 3ieb s ASP 67 CO 0.29 -1.31 0.96 0.61 0.52 0.00 0.00 175.17 176.24 3ieb n GLY 68 N -0.50 -0.53 0.12 2.66 0.00 -1.26 -4.90 105.19 100.78 3ieb n GLY 68 Ca -0.05 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3ieb n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ieb h GLY 69 N -2.15 0.34 0.48 -0.02 0.00 -1.93 -1.55 103.07 98.24 3ieb h GLY 69 Ca -0.55 -0.20 0.08 0.00 0.00 0.00 0.00 47.33 46.66 3ieb h GLY 69 CO 0.58 0.19 0.24 0.00 0.00 0.00 0.00 176.54 177.55 3ieb h ALA 70 N 0.89 0.76 -0.00 3.60 0.00 -1.85 0.51 119.26 123.16 3ieb h ALA 70 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ieb h ALA 70 Cb 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3ieb h ALA 70 CO -0.00 -0.16 -0.01 0.82 0.00 0.00 0.00 179.25 179.91 3ieb h ILE 71 N 0.44 1.43 -0.55 0.00 2.04 -1.91 -2.72 117.51 116.24 3ieb h ILE 71 Ca 0.29 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 3ieb h ILE 71 Cb 0.31 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.65 3ieb h ILE 71 CO -0.27 0.33 0.23 -0.07 0.00 0.00 0.00 178.15 178.38 3ieb h LEU 72 N -0.52 0.75 -0.34 1.44 3.38 -1.20 -2.99 115.31 115.82 3ieb h LEU 72 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3ieb h LEU 72 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ieb h LEU 72 CO 0.00 0.70 0.20 0.28 0.09 0.00 0.00 178.44 179.72 3ieb h SER 73 N 0.74 0.41 0.00 -0.43 0.02 -0.97 -1.49 113.55 111.83 3ieb h SER 73 Ca 0.18 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3ieb h SER 73 Cb 0.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3ieb h SER 73 CO -0.02 0.35 0.00 -1.14 -1.14 0.00 0.00 176.83 174.88 3ieb n ARG 74 N -4.81 0.23 0.00 3.45 0.63 -1.02 -1.37 116.66 113.77 3ieb n ARG 74 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 3ieb n ARG 74 Cb 0.05 -1.38 0.00 0.00 0.45 0.00 0.00 32.46 31.58 3ieb n ARG 74 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ieb n ALA 76 N 1.24 0.00 -0.19 5.13 0.00 -0.56 -1.14 120.51 124.98 3ieb n ALA 76 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3ieb n ALA 76 Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.58 3ieb n ALA 76 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3ieb h PHE 77 N 0.00 1.12 0.00 0.00 0.04 -1.45 -2.26 116.94 114.40 3ieb h PHE 77 Ca 0.00 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.53 3ieb h PHE 77 Cb 0.00 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 3ieb h PHE 77 CO 0.00 1.02 -0.13 0.93 -0.60 0.00 0.00 178.31 179.53 3ieb h GLU 78 N 0.90 0.00 0.00 1.51 5.08 -1.37 -0.99 114.58 119.71 3ieb h GLU 78 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3ieb h GLU 78 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3ieb h GLU 78 CO 0.04 0.13 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 3ieb h ALA 79 N 1.87 1.00 0.00 3.43 0.00 -1.70 -3.47 119.26 120.40 3ieb h ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ieb h ALA 79 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ieb h ALA 79 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3ieb n GLY 80 N 0.96 1.06 3.64 0.00 0.00 -0.37 -3.15 105.19 107.33 3ieb n GLY 80 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3ieb n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ieb n ALA 81 N 0.00 0.53 -0.03 4.61 0.00 -0.89 -4.83 120.51 119.90 3ieb n ALA 81 Ca 0.00 0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.63 3ieb n ALA 81 Cb 0.00 -2.16 -0.13 0.00 0.00 0.00 0.00 19.45 17.15 3ieb n ALA 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ieb n ASP 82 N 1.51 2.07 -4.30 0.00 8.00 0.12 -4.52 116.55 119.44 3ieb n ASP 82 Ca 0.10 0.22 -0.26 0.00 0.71 0.00 0.00 54.79 55.55 3ieb n ASP 82 Cb 0.32 -0.85 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 3ieb n ASP 82 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3ieb s TRP 83 N -2.52 1.96 0.09 1.24 0.51 -0.94 -1.14 118.94 118.12 3ieb s TRP 83 Ca -0.25 -0.39 0.04 0.00 -2.12 0.00 0.00 56.10 53.38 3ieb s TRP 83 Cb 0.07 -1.13 -0.03 0.00 -0.81 0.00 0.00 33.47 31.57 3ieb s TRP 83 CO 0.72 0.16 -0.11 0.96 -0.51 0.00 0.00 176.95 178.18 3ieb s ILE 84 N -0.94 0.93 -0.12 2.03 -4.36 -0.71 -1.29 121.20 116.75 3ieb s ILE 84 Ca 0.09 -1.50 -0.06 0.00 -0.26 0.00 0.00 60.65 58.91 3ieb s ILE 84 Cb -0.09 -1.21 -0.04 0.00 1.25 0.00 0.00 42.46 42.37 3ieb s ILE 84 CO 0.03 -0.47 0.11 0.42 0.24 0.00 0.00 174.94 175.27 3ieb s THR 85 N -2.07 5.24 -0.05 8.37 -4.23 -1.00 -1.15 115.64 120.76 3ieb s THR 85 Ca 0.02 0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 3ieb s THR 85 Cb -0.05 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.52 3ieb s THR 85 CO 0.01 0.61 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.84 3ieb s VAL 86 N -0.90 1.35 0.33 2.29 1.01 0.09 -2.44 120.40 122.13 3ieb s VAL 86 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 3ieb s VAL 86 Cb -0.12 -1.18 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 3ieb s VAL 86 CO 0.03 0.40 1.35 -0.55 0.00 0.00 0.00 175.10 176.33 3ieb s SER 87 N 0.19 6.69 0.58 3.32 0.15 0.51 -0.10 113.70 125.04 3ieb s SER 87 Ca -0.07 2.74 0.28 0.00 0.70 0.00 0.00 55.95 59.60 3ieb s SER 87 Cb -0.12 -2.65 1.55 0.00 -1.71 0.00 0.00 66.02 63.09 3ieb s SER 87 CO 0.03 -0.61 2.01 0.00 1.20 0.00 0.00 173.24 175.87 3ieb h ALA 88 N 3.55 2.02 -0.00 5.45 0.00 -1.35 -1.27 119.26 127.66 3ieb h ALA 88 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3ieb h ALA 88 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ieb h ALA 88 CO 0.67 -0.49 -0.01 0.00 0.00 0.00 0.00 179.25 179.41 3ieb n ALA 89 N -2.37 2.42 -1.78 0.00 0.00 -1.26 -4.81 120.51 112.71 3ieb n ALA 89 Ca 0.05 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.95 3ieb n ALA 89 Cb 0.48 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 3ieb n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ieb s ALA 90 N -2.83 3.59 0.46 0.00 0.00 -0.48 -4.95 121.76 117.55 3ieb s ALA 90 Ca 0.20 1.50 -0.25 0.00 0.00 0.00 0.00 51.96 53.41 3ieb s ALA 90 Cb 0.19 -3.59 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3ieb s ALA 90 CO 0.51 -0.95 1.37 1.58 0.00 0.00 0.00 175.76 178.26 3ieb n HIS 91 N 0.88 2.44 -0.22 0.00 -0.00 -1.26 -4.77 115.22 112.29 3ieb n HIS 91 Ca 0.02 0.45 0.23 0.00 -0.00 0.00 0.00 57.72 58.42 3ieb n HIS 91 Cb 0.39 -2.41 0.59 0.00 -0.00 0.00 0.00 29.99 28.56 3ieb n HIS 91 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.34 177.31 3ieb h ILE 92 N 2.04 0.62 -0.36 3.57 6.09 -1.94 -0.13 117.51 127.41 3ieb h ILE 92 Ca -0.50 -0.09 -0.10 0.00 -1.37 0.00 0.00 64.86 62.81 3ieb h ILE 92 Cb 1.28 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.90 3ieb h ILE 92 CO 0.60 0.05 -0.18 0.00 -3.07 0.00 0.00 178.15 175.55 3ieb h ALA 93 N 1.59 1.02 -0.34 0.18 0.00 -1.99 0.58 119.26 120.31 3ieb h ALA 93 Ca 0.46 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ieb h ALA 93 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3ieb h ALA 93 CO -0.12 0.59 -0.03 1.15 0.00 0.00 0.00 179.25 180.84 3ieb h THR 94 N 0.60 1.27 -0.61 0.00 2.02 -1.42 -1.12 112.91 113.65 3ieb h THR 94 Ca 0.09 -1.03 0.03 0.00 0.77 0.00 0.00 66.41 66.28 3ieb h THR 94 Cb 0.64 1.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3ieb h THR 94 CO 0.04 0.34 0.37 0.40 0.37 0.00 0.00 175.52 177.04 3ieb h ILE 95 N 0.42 1.07 -0.66 3.11 2.04 -0.94 -0.53 117.51 122.01 3ieb h ILE 95 Ca 0.09 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3ieb h ILE 95 Cb 0.50 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3ieb h ILE 95 CO 0.02 0.13 0.28 0.00 0.00 0.00 0.00 178.15 178.59 3ieb h ALA 96 N 1.27 0.86 -0.42 1.87 0.00 -0.82 -0.81 119.26 121.21 3ieb h ALA 96 Ca 0.25 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3ieb h ALA 96 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ieb h ALA 96 CO -0.10 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.64 3ieb h ALA 97 N 1.12 1.26 -0.29 0.00 0.00 -0.45 -0.87 119.26 120.04 3ieb h ALA 97 Ca 0.22 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3ieb h ALA 97 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ieb h ALA 97 CO -0.02 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.73 3ieb h LYS 99 N 0.30 0.13 -0.06 0.00 1.63 -0.75 0.52 116.57 118.34 3ieb h LYS 99 Ca 0.08 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3ieb h LYS 99 Cb 0.43 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 3ieb h LYS 99 CO 0.01 0.37 -0.01 -0.22 -3.45 0.00 0.00 179.45 176.15 3ieb h LYS 100 N 0.12 0.11 -0.59 1.90 3.64 -1.13 -0.18 116.57 120.44 3ieb h LYS 100 Ca 0.02 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3ieb h LYS 100 Cb 0.50 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3ieb h LYS 100 CO 0.03 0.44 0.36 0.28 -2.27 0.00 0.00 179.45 178.29 3ieb h VAL 101 N -0.23 1.07 -0.45 2.00 2.07 -1.31 -1.78 116.25 117.61 3ieb h VAL 101 Ca 0.01 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ieb h VAL 101 Cb 0.40 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3ieb h VAL 101 CO 0.01 0.13 0.27 0.00 0.02 0.00 0.00 177.57 177.99 3ieb h ALA 102 N 1.26 0.58 -0.51 1.67 0.00 -0.68 -0.59 119.26 120.99 3ieb h ALA 102 Ca 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3ieb h ALA 102 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ieb h ALA 102 CO -0.10 -0.04 0.24 -0.44 0.00 0.00 0.00 179.25 178.91 3ieb h ASP 103 N 0.54 0.67 -0.85 0.00 3.32 -0.85 0.92 116.42 120.17 3ieb h ASP 103 Ca 0.18 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3ieb h ASP 103 Cb 0.01 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 3ieb h ASP 103 CO -0.08 0.61 0.56 -0.08 -1.72 0.00 0.00 179.24 178.53 3ieb h GLU 104 N 0.68 1.08 -0.61 3.56 4.81 -0.93 -3.08 114.58 120.09 3ieb h GLU 104 Ca 0.17 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ieb h GLU 104 Cb 0.12 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3ieb h GLU 104 CO -0.02 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 180.25 3ieb n LEU 105 N -4.42 4.21 -3.76 1.64 4.77 -0.26 -4.96 117.00 114.21 3ieb n LEU 105 Ca 0.10 -2.27 -0.27 0.00 -0.03 0.00 0.00 56.01 53.54 3ieb n LEU 105 Cb 0.06 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 40.70 3ieb n LEU 105 CO 0.36 0.85 0.17 0.59 -1.33 0.00 0.00 177.39 178.04 3ieb n ASN 106 N 1.12 -5.52 -2.13 -1.43 4.13 0.12 -5.01 115.26 106.54 3ieb n ASN 106 Ca 0.23 -0.67 -0.01 0.00 1.68 0.00 0.00 54.58 55.81 3ieb n ASN 106 Cb 0.74 -4.44 -0.00 0.00 -1.54 0.00 0.00 39.78 34.54 3ieb n ASN 106 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ieb n GLY 107 N -1.84 3.33 3.12 7.41 0.00 -0.06 -5.02 105.19 112.13 3ieb n GLY 107 Ca 0.02 -2.19 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 3ieb n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ieb s GLU 108 N -2.10 0.70 -0.01 1.61 2.02 -0.30 -4.49 118.70 116.13 3ieb s GLU 108 Ca 0.01 -1.09 0.01 0.00 0.02 0.00 0.00 54.97 53.92 3ieb s GLU 108 Cb -0.00 -0.21 -0.04 0.00 0.10 0.00 0.00 34.13 33.98 3ieb s GLU 108 CO 0.01 0.00 -0.00 0.42 0.02 0.00 0.00 175.26 175.71 3ieb s ILE 109 N -2.74 4.15 -0.04 -1.63 -1.09 -1.26 -1.74 121.20 116.85 3ieb s ILE 109 Ca 0.03 -0.59 0.03 0.00 -2.23 0.00 0.00 60.65 57.89 3ieb s ILE 109 Cb -0.01 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 38.04 3ieb s ILE 109 CO -0.03 0.39 -0.11 -1.10 -1.23 0.00 0.00 174.94 172.86 3ieb s GLN 110 N -1.51 1.26 -0.21 2.79 -0.21 -0.30 -4.25 119.66 117.22 3ieb s GLN 110 Ca 0.19 -0.37 -0.18 0.00 0.02 0.00 0.00 55.36 55.02 3ieb s GLN 110 Cb -0.11 -1.12 -0.03 0.00 1.00 0.00 0.00 33.01 32.74 3ieb s GLN 110 CO 0.10 0.10 0.51 0.42 -2.12 0.00 0.00 175.29 174.30 3ieb s ILE 111 N 0.32 5.11 -0.36 1.08 -1.09 -0.63 -0.73 121.20 124.90 3ieb s ILE 111 Ca -0.06 0.92 -0.24 0.00 -2.23 0.00 0.00 60.65 59.03 3ieb s ILE 111 Cb -0.11 -3.83 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 3ieb s ILE 111 CO 0.01 0.17 0.85 -1.61 -1.23 0.00 0.00 174.94 173.13 3ieb s GLU 112 N 1.71 3.82 -0.64 2.79 0.41 0.85 -0.22 118.70 127.42 3ieb s GLU 112 Ca 0.23 0.46 -0.25 0.00 -0.41 0.00 0.00 54.97 55.01 3ieb s GLU 112 Cb -0.15 -3.80 0.05 0.00 -1.78 0.00 0.00 34.13 28.45 3ieb s GLU 112 CO 0.09 -0.87 1.07 0.42 -0.49 0.00 0.00 175.26 175.48 3ieb s ILE 113 N 3.25 4.15 0.08 -1.63 1.01 -1.02 -1.04 121.20 126.00 3ieb s ILE 113 Ca 0.34 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.19 3ieb s ILE 113 Cb -0.13 -4.70 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 3ieb s ILE 113 CO 0.17 -1.44 -0.03 -0.31 0.00 0.00 0.00 174.94 173.33 3ieb s TYR 114 N 4.56 0.70 0.00 3.97 2.02 -1.26 -4.67 117.35 122.67 3ieb s TYR 114 Ca 0.31 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 3ieb s TYR 114 Cb -0.12 -0.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 3ieb s TYR 114 CO 0.16 -0.32 0.00 0.41 -1.57 0.00 0.00 175.55 174.23 3ieb n GLY 115 N 0.03 -1.84 2.44 0.71 0.00 -1.26 -4.32 105.19 100.94 3ieb n GLY 115 Ca -0.12 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 3ieb n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ieb n ASN 116 N 0.37 7.44 -4.84 1.61 3.02 -1.26 -4.96 115.26 116.64 3ieb n ASN 116 Ca 0.00 -2.70 -0.32 0.00 -0.03 0.00 0.00 54.58 51.53 3ieb n ASN 116 Cb 0.00 -1.56 -0.04 0.00 -0.61 0.00 0.00 39.78 37.57 3ieb n ASN 116 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3ieb s TRP 117 N 2.09 3.44 0.00 3.10 1.48 -1.26 -5.11 118.94 122.67 3ieb s TRP 117 Ca 0.62 1.46 0.00 0.00 -1.06 0.00 0.00 56.10 57.12 3ieb s TRP 117 Cb 0.17 -2.78 0.00 0.00 -1.16 0.00 0.00 33.47 29.70 3ieb s TRP 117 CO -0.07 -0.33 0.00 0.25 -4.06 0.00 0.00 176.95 172.74 3ieb n THR 118 N -1.48 0.00 0.00 0.66 -2.24 -1.26 -5.03 114.28 104.93 3ieb n THR 118 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3ieb n THR 118 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 3ieb n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ieb n GLN 120 N 0.00 0.00 -0.21 -0.78 6.02 -1.26 -1.58 117.38 119.57 3ieb n GLN 120 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 3ieb n GLN 120 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 3ieb n GLN 120 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3ieb h ASP 121 N 0.00 0.75 -0.76 1.08 3.32 -1.99 -0.68 116.42 118.13 3ieb h ASP 121 Ca 0.00 -0.10 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3ieb h ASP 121 Cb 0.00 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 3ieb h ASP 121 CO 0.00 0.63 0.34 0.00 -1.72 0.00 0.00 179.24 178.49 3ieb h ALA 122 N 1.15 1.14 -0.49 3.45 0.00 -1.72 -1.09 119.26 121.69 3ieb h ALA 122 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3ieb h ALA 122 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3ieb h ALA 122 CO -0.03 0.63 -0.05 0.87 0.00 0.00 0.00 179.25 180.68 3ieb h LYS 123 N 1.11 0.85 -0.63 0.00 1.57 -1.74 -2.36 116.57 115.37 3ieb h LYS 123 Ca 0.26 -0.26 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3ieb h LYS 123 Cb 0.16 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3ieb h LYS 123 CO -0.03 0.88 0.42 0.00 -0.57 0.00 0.00 179.45 180.15 3ieb h ALA 124 N 1.17 1.61 -0.20 3.86 0.00 0.08 -1.01 119.26 124.77 3ieb h ALA 124 Ca 0.14 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3ieb h ALA 124 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3ieb h ALA 124 CO 0.03 0.33 -0.11 -1.49 0.00 0.00 0.00 179.25 178.02 3ieb h TRP 125 N 0.79 0.49 -0.60 0.00 6.55 -0.96 -2.68 115.95 119.54 3ieb h TRP 125 Ca 0.25 -0.13 0.00 0.00 0.95 0.00 0.00 58.89 59.96 3ieb h TRP 125 Cb 0.01 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.16 3ieb h TRP 125 CO -0.00 0.73 0.38 0.28 -1.05 0.00 0.00 178.44 178.78 3ieb h VAL 126 N 0.12 1.16 0.00 1.49 2.07 -1.10 -1.58 116.25 118.41 3ieb h VAL 126 Ca 0.04 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3ieb h VAL 126 Cb 0.60 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3ieb h VAL 126 CO 0.03 0.16 -0.28 0.44 0.02 0.00 0.00 177.57 177.94 3ieb h ASP 127 N 0.82 0.00 0.00 0.57 3.32 -1.00 0.71 116.42 120.84 3ieb h ASP 127 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3ieb h ASP 127 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3ieb h ASP 127 CO -0.04 0.28 0.00 0.18 -1.72 0.00 0.00 179.24 177.93 3ieb n LEU 128 N -4.20 0.00 0.00 1.55 4.77 -0.65 -4.87 117.00 113.60 3ieb n LEU 128 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3ieb n LEU 128 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3ieb n LEU 128 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3ieb n GLY 129 N 0.75 0.53 3.68 -0.72 0.00 0.24 -5.03 105.19 104.64 3ieb n GLY 129 Ca 0.18 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3ieb n GLY 129 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 130 N -2.00 4.97 -0.01 -0.61 1.01 -0.89 -4.94 121.20 118.72 3ieb s ILE 130 Ca 0.00 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.11 3ieb s ILE 130 Cb 0.00 -4.05 0.03 0.00 0.01 0.00 0.00 42.46 38.45 3ieb s ILE 130 CO 0.00 0.11 1.00 0.35 0.00 0.00 0.00 174.94 176.40 3ieb n THR 131 N 4.50 1.06 -5.11 2.92 -2.24 -1.26 -3.70 114.28 110.44 3ieb n THR 131 Ca 0.01 -1.10 -0.32 0.00 -2.27 0.00 0.00 64.05 60.37 3ieb n THR 131 Cb 0.50 0.43 -0.15 0.00 -2.10 0.00 0.00 70.33 69.01 3ieb n THR 131 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ieb s GLN 132 N -1.17 2.42 0.00 -0.78 -0.21 -1.26 -0.18 119.66 118.48 3ieb s GLN 132 Ca 0.04 -0.82 -0.09 0.00 0.02 0.00 0.00 55.36 54.51 3ieb s GLN 132 Cb 0.03 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.82 3ieb s GLN 132 CO 0.00 0.53 0.17 0.00 -2.12 0.00 0.00 175.29 173.87 3ieb s ALA 133 N -0.51 -0.39 -0.28 6.09 0.00 -1.12 -1.61 121.76 123.94 3ieb s ALA 133 Ca 0.07 -0.08 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 3ieb s ALA 133 Cb -0.11 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 3ieb s ALA 133 CO 0.01 -0.23 0.15 0.42 0.00 0.00 0.00 175.76 176.11 3ieb s ILE 134 N -1.48 4.91 -0.29 0.00 -1.09 0.70 -1.12 121.20 122.83 3ieb s ILE 134 Ca -0.14 -0.03 -0.06 0.00 -2.23 0.00 0.00 60.65 58.20 3ieb s ILE 134 Cb -0.07 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 3ieb s ILE 134 CO 0.02 0.24 0.05 -0.47 -1.23 0.00 0.00 174.94 173.55 3ieb s TYR 135 N 1.70 3.14 -0.10 3.97 5.04 -0.20 -2.43 117.35 128.46 3ieb s TYR 135 Ca 0.06 -1.16 -0.16 0.00 -2.44 0.00 0.00 57.07 53.37 3ieb s TYR 135 Cb -0.16 -2.21 -0.05 0.00 0.35 0.00 0.00 41.96 39.89 3ieb s TYR 135 CO 0.08 -0.63 0.42 -1.01 -1.34 0.00 0.00 175.55 173.07 3ieb s HIS 136 N 1.45 3.55 0.08 4.97 3.76 -1.26 -2.42 115.29 125.42 3ieb s HIS 136 Ca 0.02 0.84 -0.35 0.00 -0.15 0.00 0.00 55.06 55.41 3ieb s HIS 136 Cb -0.17 -2.44 -0.19 0.00 1.11 0.00 0.00 32.58 30.89 3ieb s HIS 136 CO 0.01 0.29 0.87 -2.13 -0.85 0.00 0.00 174.74 172.93 3ieb n ARG 137 N 3.24 0.04 -1.67 1.40 0.63 -0.48 -4.76 116.66 115.06 3ieb n ARG 137 Ca -0.10 0.01 -0.47 0.00 -0.92 0.00 0.00 57.85 56.38 3ieb n ARG 137 Cb 0.52 -1.33 -0.04 0.00 0.45 0.00 0.00 32.46 32.05 3ieb n ARG 137 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 3ieb n SER 138 N 1.70 3.09 -0.22 6.15 2.88 -1.26 -4.87 113.62 121.09 3ieb n SER 138 Ca 0.19 1.06 -0.06 0.00 -1.33 0.00 0.00 58.87 58.74 3ieb n SER 138 Cb 0.15 -1.40 0.09 0.00 -0.75 0.00 0.00 64.21 62.30 3ieb n SER 138 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3ieb h ARG 139 N 6.50 1.05 -0.52 -1.46 9.65 -1.99 -1.32 114.38 126.29 3ieb h ARG 139 Ca -0.46 -0.24 0.06 0.00 -1.10 0.00 0.00 59.98 58.24 3ieb h ARG 139 Cb 1.26 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 29.64 3ieb h ARG 139 CO 0.89 0.93 0.22 -0.44 2.80 0.00 0.00 179.97 184.37 3ieb h ASP 140 N 1.00 0.26 -0.45 -3.80 3.32 -2.00 -1.06 116.42 113.70 3ieb h ASP 140 Ca 0.21 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3ieb h ASP 140 Cb 0.35 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3ieb h ASP 140 CO 0.00 0.18 0.12 0.00 -1.72 0.00 0.00 179.24 177.83 3ieb h ALA 141 N 1.32 0.60 -0.35 3.45 0.00 -1.75 -2.29 119.26 120.24 3ieb h ALA 141 Ca 0.24 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ieb h ALA 141 Cb 0.23 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3ieb h ALA 141 CO -0.22 0.27 0.13 0.93 0.00 0.00 0.00 179.25 180.36 3ieb h GLU 142 N 0.60 0.27 -0.19 0.00 5.08 -0.71 -0.86 114.58 118.78 3ieb h GLU 142 Ca 0.14 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3ieb h GLU 142 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3ieb h GLU 142 CO -0.00 0.18 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.06 3ieb h LEU 143 N 0.28 0.26 -0.22 1.33 3.38 -1.03 -2.11 115.31 117.20 3ieb h LEU 143 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ieb h LEU 143 Cb 0.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ieb h LEU 143 CO -0.15 0.37 -0.11 0.00 0.09 0.00 0.00 178.44 178.63 3ieb n ALA 144 N -2.49 2.76 -1.04 1.53 0.00 -0.77 -4.92 120.51 115.58 3ieb n ALA 144 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.16 3ieb n ALA 144 Cb 0.23 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 3ieb n ALA 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieb n GLY 145 N 1.29 0.51 3.90 0.00 0.00 -0.79 -5.03 105.19 105.06 3ieb n GLY 145 Ca 0.14 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3ieb n GLY 145 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3ieb s ILE 146 N -2.05 5.36 0.00 -0.61 -4.36 -0.40 -5.03 121.20 114.11 3ieb s ILE 146 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.14 3ieb s ILE 146 Cb 0.00 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.18 3ieb s ILE 146 CO 0.00 0.27 0.00 0.61 0.24 0.00 0.00 174.94 176.06 3ieb n GLY 147 N 0.76 0.74 3.70 6.27 0.00 -1.26 -4.02 105.19 111.38 3ieb n GLY 147 Ca -0.09 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3ieb n GLY 147 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ieb s TRP 148 N 0.00 3.45 0.34 1.61 0.52 -1.26 -4.69 118.94 118.91 3ieb s TRP 148 Ca 0.00 0.85 0.06 0.00 0.02 0.00 0.00 56.10 57.03 3ieb s TRP 148 Cb 0.00 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.70 3ieb s TRP 148 CO 0.00 0.05 0.48 0.95 0.02 0.00 0.00 176.95 178.44 3ieb s THR 149 N 1.08 4.05 0.24 2.01 -4.23 -1.26 -4.99 115.64 112.55 3ieb s THR 149 Ca 0.25 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.72 3ieb s THR 149 Cb -0.15 -3.40 0.17 0.00 1.34 0.00 0.00 72.50 70.46 3ieb s THR 149 CO 0.10 -0.16 1.82 0.74 -0.54 0.00 0.00 174.62 176.58 3ieb h THR 150 N 0.88 1.25 -0.80 3.99 2.02 -1.98 -1.70 112.91 116.56 3ieb h THR 150 Ca -0.46 -0.76 0.02 0.00 0.77 0.00 0.00 66.41 65.98 3ieb h THR 150 Cb 1.26 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3ieb h THR 150 CO 0.53 0.31 0.52 -0.78 0.37 0.00 0.00 175.52 176.47 3ieb h ASP 151 N 1.09 0.88 0.03 4.18 3.58 -1.98 0.33 116.42 124.53 3ieb h ASP 151 Ca 0.26 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 3ieb h ASP 151 Cb 0.18 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3ieb h ASP 151 CO -0.02 0.62 -0.02 0.44 -2.88 0.00 0.00 179.24 177.38 3ieb h ASP 152 N 1.04 -0.04 -0.46 2.28 3.32 -1.87 -1.17 116.42 119.52 3ieb h ASP 152 Ca 0.31 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3ieb h ASP 152 Cb -0.06 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3ieb h ASP 152 CO -0.09 0.01 0.14 -0.07 -1.72 0.00 0.00 179.24 177.51 3ieb h LEU 153 N -0.08 0.73 -0.26 1.55 3.38 -0.94 -2.72 115.31 116.97 3ieb h LEU 153 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ieb h LEU 153 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ieb h LEU 153 CO 0.01 0.71 0.09 0.44 0.09 0.00 0.00 178.44 179.78 3ieb h ASP 154 N 0.76 0.37 0.00 -0.43 3.32 -0.15 -1.26 116.42 119.03 3ieb h ASP 154 Ca 0.17 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3ieb h ASP 154 Cb 0.26 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3ieb h ASP 154 CO -0.00 0.45 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 3ieb n LYS 155 N -4.76 0.13 0.00 3.56 5.02 -0.46 -1.61 118.16 120.04 3ieb n LYS 155 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3ieb n LYS 155 Cb 0.14 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 3ieb n LYS 155 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ieb n ARG 157 N 0.89 0.00 -0.02 1.97 1.74 -0.48 -1.66 116.66 119.11 3ieb n ARG 157 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 3ieb n ARG 157 Cb 0.06 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.44 3ieb n ARG 157 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3ieb h GLN 158 N 0.00 0.13 -0.87 5.56 4.20 -1.57 -1.55 115.11 121.01 3ieb h GLN 158 Ca 0.00 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.77 3ieb h GLN 158 Cb 0.00 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.69 3ieb h GLN 158 CO 0.00 0.31 0.52 -0.07 -0.67 0.00 0.00 178.83 178.92 3ieb h LEU 159 N -0.06 0.77 -0.59 1.46 3.38 -1.60 -1.35 115.31 117.32 3ieb h LEU 159 Ca 0.03 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3ieb h LEU 159 Cb 0.23 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3ieb h LEU 159 CO -0.00 0.44 0.35 -1.28 0.09 0.00 0.00 178.44 178.05 3ieb h SER 160 N 0.88 0.57 0.35 -0.43 0.87 -1.68 -1.76 113.55 112.35 3ieb h SER 160 Ca 0.41 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.93 3ieb h SER 160 Cb 0.34 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3ieb h SER 160 CO -0.23 0.40 -0.22 0.00 -0.53 0.00 0.00 176.83 176.24 3ieb h ALA 161 N 1.26 1.41 0.00 6.23 0.00 -0.24 -0.05 119.26 127.88 3ieb h ALA 161 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3ieb h ALA 161 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3ieb h ALA 161 CO -0.11 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.69 3ieb n LEU 162 N -3.95 0.00 0.00 0.00 4.77 -0.65 -4.87 117.00 112.31 3ieb n LEU 162 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3ieb n LEU 162 Cb 0.30 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ieb n LEU 162 CO 0.35 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3ieb n GLY 163 N 0.62 0.83 3.74 -0.72 0.00 -0.03 -5.00 105.19 104.62 3ieb n GLY 163 Ca 0.12 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 3ieb n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 164 N -2.00 5.05 -0.32 -0.61 1.01 -0.72 -4.83 121.20 118.78 3ieb s ILE 164 Ca 0.00 1.16 -0.15 0.00 0.00 0.00 0.00 60.65 61.66 3ieb s ILE 164 Cb 0.00 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 3ieb s ILE 164 CO 0.00 0.35 0.36 -1.61 0.00 0.00 0.00 174.94 174.04 3ieb s GLU 165 N 0.29 3.70 0.18 2.79 2.02 0.75 -4.05 118.70 124.38 3ieb s GLU 165 Ca 0.30 -0.29 -0.15 0.00 0.02 0.00 0.00 54.97 54.85 3ieb s GLU 165 Cb -0.17 -3.76 -0.07 0.00 0.10 0.00 0.00 34.13 30.23 3ieb s GLU 165 CO 0.15 -0.45 0.59 -0.51 0.02 0.00 0.00 175.26 175.06 3ieb s LEU 166 N 2.03 4.30 -0.18 1.80 1.43 -0.10 -2.81 118.68 125.15 3ieb s LEU 166 Ca 0.12 1.14 -0.05 0.00 -1.03 0.00 0.00 54.13 54.31 3ieb s LEU 166 Cb -0.16 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3ieb s LEU 166 CO 0.11 0.05 -0.01 -0.44 0.23 0.00 0.00 176.35 176.29 3ieb s SER 167 N -1.81 4.87 -0.09 2.29 0.01 -0.28 0.10 113.70 118.79 3ieb s SER 167 Ca 0.41 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.53 3ieb s SER 167 Cb -0.15 -1.82 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 3ieb s SER 167 CO 0.20 0.11 -0.12 -0.63 0.41 0.00 0.00 173.24 173.21 3ieb s ILE 168 N 0.70 3.18 0.04 1.44 1.01 -0.38 -1.03 121.20 126.16 3ieb s ILE 168 Ca -0.01 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 59.82 3ieb s ILE 168 Cb -0.14 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.06 3ieb s ILE 168 CO 0.02 0.56 0.41 0.28 0.00 0.00 0.00 174.94 176.20 3ieb s THR 169 N -0.22 0.06 0.00 2.92 -1.32 -1.01 -1.45 115.64 114.61 3ieb s THR 169 Ca 0.01 -0.46 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 3ieb s THR 169 Cb -0.13 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 3ieb s THR 169 CO 0.03 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.79 3ieb n GLY 170 N 0.55 0.98 3.39 6.08 0.00 -1.26 -1.38 105.19 113.55 3ieb n GLY 170 Ca -0.19 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 3ieb n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ieb n GLY 171 N 0.00 -0.54 3.68 -0.02 0.00 -1.26 -4.74 105.19 102.31 3ieb n GLY 171 Ca 0.00 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3ieb n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 172 N -3.27 3.45 0.15 -0.61 -1.09 -1.26 -5.01 121.20 113.56 3ieb s ILE 172 Ca 0.48 0.82 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 3ieb s ILE 172 Cb -0.21 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 3ieb s ILE 172 CO 0.60 -0.01 -0.16 0.68 -1.23 0.00 0.00 174.94 174.81 3ieb s VAL 173 N 2.77 1.62 0.32 2.92 -7.23 -1.26 -4.98 120.40 114.56 3ieb s VAL 173 Ca 0.69 -1.85 0.08 0.00 -1.81 0.00 0.00 61.98 59.08 3ieb s VAL 173 Cb -0.35 -1.73 0.36 0.00 0.56 0.00 0.00 36.38 35.22 3ieb s VAL 173 CO 0.29 -0.37 1.60 -0.65 -0.31 0.00 0.00 175.10 175.66 3ieb h PRO 174 N 3.32 0.09 -0.19 4.82 0.11 -1.91 -0.14 132.00 138.11 3ieb h PRO 174 Ca -0.41 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.75 3ieb h PRO 174 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3ieb h PRO 174 CO 0.51 0.06 0.16 0.93 -0.21 0.00 0.00 178.00 179.45 3ieb h GLU 175 N 0.09 0.00 -0.01 1.05 3.07 -1.96 -1.98 114.58 114.84 3ieb h GLU 175 Ca 0.66 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 3ieb h GLU 175 Cb 1.48 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 3ieb h GLU 175 CO -0.78 0.00 -0.47 -0.25 -1.40 0.00 0.00 179.01 176.11 3ieb n ASP 176 N -4.15 1.33 -0.34 1.42 10.43 -0.07 -4.49 116.55 120.69 3ieb n ASP 176 Ca 0.02 -1.06 0.03 0.00 2.57 0.00 0.00 54.79 56.35 3ieb n ASP 176 Cb 0.29 0.40 0.20 0.00 1.84 0.00 0.00 41.12 43.85 3ieb n ASP 176 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 3ieb h ILE 177 N 1.35 1.08 -0.09 0.53 1.08 -1.35 -0.47 117.51 119.64 3ieb h ILE 177 Ca 0.00 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3ieb h ILE 177 Cb 0.60 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3ieb h ILE 177 CO 0.00 0.20 0.19 0.10 -0.69 0.00 0.00 178.15 177.95 3ieb h TYR 178 N 1.12 0.00 0.00 1.37 -0.00 -1.79 -1.98 116.97 115.69 3ieb h TYR 178 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 59.12 3ieb h TYR 178 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.91 3ieb h TYR 178 CO -0.00 0.00 -0.12 -0.07 -0.00 0.00 0.00 178.16 177.97 3ieb h LEU 179 N 0.00 0.00 -3.05 0.10 3.38 -1.40 -2.99 115.31 111.35 3ieb h LEU 179 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ieb h LEU 179 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ieb h LEU 179 CO -0.00 0.12 0.00 0.49 0.09 0.00 0.00 178.44 179.14 3ieb n PHE 180 N -3.91 1.39 -1.68 1.13 3.72 -0.74 -4.97 117.46 112.40 3ieb n PHE 180 Ca -0.02 -0.58 -0.45 0.00 -0.05 0.00 0.00 57.45 56.35 3ieb n PHE 180 Cb 0.21 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 3ieb n PHE 180 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3ieb n GLU 181 N 1.29 2.11 -0.88 -1.08 2.13 -1.13 -1.48 120.64 121.58 3ieb n GLU 181 Ca 0.26 0.75 0.00 0.00 0.66 0.00 0.00 57.16 58.83 3ieb n GLU 181 Cb 0.83 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 30.11 3ieb n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ieb n GLY 182 N 2.36 0.80 3.80 8.31 0.00 -1.26 -5.03 105.19 114.17 3ieb n GLY 182 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3ieb n GLY 182 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ieb s ILE 183 N -3.12 5.14 -0.36 -0.61 1.01 -0.55 -5.02 121.20 117.70 3ieb s ILE 183 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 60.65 61.12 3ieb s ILE 183 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3ieb s ILE 183 CO 0.00 0.51 1.70 -0.54 0.00 0.00 0.00 174.94 176.61 3ieb s LYS 184 N -0.52 3.38 -0.17 2.79 1.02 -1.26 -4.95 119.74 120.03 3ieb s LYS 184 Ca 0.22 1.29 0.01 0.00 0.02 0.00 0.00 55.97 57.50 3ieb s LYS 184 Cb -0.15 -4.16 0.03 0.00 -0.52 0.00 0.00 37.83 33.03 3ieb s LYS 184 CO 0.10 -1.80 -0.13 0.99 -0.92 0.00 0.00 175.35 173.59 3ieb s THR 185 N 6.56 1.61 -0.02 2.17 2.01 -1.26 -0.93 115.64 125.78 3ieb s THR 185 Ca 0.75 -0.77 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3ieb s THR 185 Cb -0.20 -1.57 -0.23 0.00 0.01 0.00 0.00 72.50 70.51 3ieb s THR 185 CO 0.33 0.36 1.08 0.50 -0.69 0.00 0.00 174.62 176.20 3ieb h LYS 186 N 8.02 0.31 -3.62 4.92 1.63 -0.58 -3.32 116.57 123.92 3ieb h LYS 186 Ca -0.35 -0.32 -0.07 0.00 -0.85 0.00 0.00 60.65 59.06 3ieb h LYS 186 Cb 1.12 0.09 -0.13 0.00 -0.60 0.00 0.00 32.23 32.71 3ieb h LYS 186 CO 0.51 1.02 -0.23 0.95 -3.45 0.00 0.00 179.45 178.24 3ieb s THR 187 N -3.21 0.11 -0.11 1.00 -4.23 -1.23 -4.50 115.64 103.48 3ieb s THR 187 Ca -0.14 -0.91 -0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3ieb s THR 187 Cb 0.02 -1.28 -0.03 0.00 1.34 0.00 0.00 72.50 72.56 3ieb s THR 187 CO 0.79 -0.49 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.00 3ieb s PHE 188 N -3.84 3.10 -0.13 3.99 0.40 -1.26 -1.24 117.98 119.00 3ieb s PHE 188 Ca 0.04 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 3ieb s PHE 188 Cb 0.03 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.72 3ieb s PHE 188 CO -0.11 0.31 -0.16 0.42 0.70 0.00 0.00 175.22 176.37 3ieb s ILE 189 N -0.49 2.77 0.24 0.64 1.01 -0.53 -1.30 121.20 123.53 3ieb s ILE 189 Ca 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3ieb s ILE 189 Cb -0.12 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3ieb s ILE 189 CO 0.02 0.53 0.08 0.00 0.00 0.00 0.00 174.94 175.57 3ieb s ALA 190 N 0.40 1.59 0.00 9.38 0.00 -0.53 -4.41 121.76 128.18 3ieb s ALA 190 Ca -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.04 3ieb s ALA 190 Cb -0.16 0.99 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3ieb s ALA 190 CO 0.06 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.78 3ieb n GLY 191 N -0.40 0.79 0.29 0.00 0.00 -1.26 -1.26 105.19 103.35 3ieb n GLY 191 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.18 3ieb n GLY 191 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ieb h ARG 192 N 0.00 0.00 -0.72 1.61 3.08 -1.96 -1.73 114.38 114.65 3ieb h ARG 192 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 3ieb h ARG 192 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3ieb h ARG 192 CO 0.00 0.05 0.70 0.00 -1.07 0.00 0.00 179.97 179.65 3ieb h ALA 193 N 1.95 2.54 -0.00 0.04 0.00 -1.99 0.28 119.26 122.08 3ieb h ALA 193 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ieb h ALA 193 Cb 0.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ieb h ALA 193 CO 0.01 -1.07 -0.21 1.28 0.00 0.00 0.00 179.25 179.25 3ieb n LEU 194 N -3.73 0.59 0.00 0.00 4.77 -0.65 -4.14 117.00 113.84 3ieb n LEU 194 Ca 0.15 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3ieb n LEU 194 Cb 0.96 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 41.85 3ieb n LEU 194 CO 0.30 0.12 0.09 0.00 -1.33 0.00 0.00 177.39 176.56 3ieb n ALA 195 N -1.02 0.47 -0.72 -1.18 0.00 0.98 -4.35 120.51 114.68 3ieb n ALA 195 Ca 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3ieb n ALA 195 Cb 0.31 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3ieb n ALA 195 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ieb n GLY 196 N 1.82 -0.45 0.27 0.00 0.00 -1.26 -2.07 105.19 103.50 3ieb n GLY 196 Ca 0.02 -1.03 0.02 0.00 0.00 0.00 0.00 46.02 45.03 3ieb n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ieb h ALA 197 N -0.72 1.51 -0.06 4.61 0.00 -1.97 -2.97 119.26 119.66 3ieb h ALA 197 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3ieb h ALA 197 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3ieb h ALA 197 CO 0.00 0.36 0.00 0.39 0.00 0.00 0.00 179.25 180.00 3ieb n GLU 198 N -4.32 2.31 -0.07 0.00 1.02 -1.26 -4.57 120.64 113.75 3ieb n GLU 198 Ca 0.01 -1.91 -0.08 0.00 -0.02 0.00 0.00 57.16 55.16 3ieb n GLU 198 Cb 0.22 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 3ieb n GLU 198 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3ieb h GLY 199 N 4.70 0.34 1.00 0.62 0.00 -1.24 -1.74 103.07 106.75 3ieb h GLY 199 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ieb h GLY 199 CO 0.00 0.03 0.38 -1.61 0.00 0.00 0.00 176.54 175.34 3ieb h GLN 200 N 0.21 0.79 -0.63 4.80 4.15 -1.79 -1.02 115.11 121.61 3ieb h GLN 200 Ca 0.12 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3ieb h GLN 200 Cb 0.09 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.58 3ieb h GLN 200 CO -0.13 0.54 0.30 1.96 -1.93 0.00 0.00 178.83 179.57 3ieb h GLN 201 N 0.80 0.91 -0.27 1.69 4.20 -1.82 -1.70 115.11 118.93 3ieb h GLN 201 Ca 0.21 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.82 3ieb h GLN 201 Cb -0.06 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.52 3ieb h GLN 201 CO -0.04 0.73 0.09 1.15 -0.67 0.00 0.00 178.83 180.09 3ieb h THR 202 N 0.87 0.93 -0.60 -0.54 2.02 -0.43 0.30 112.91 115.46 3ieb h THR 202 Ca 0.22 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.34 3ieb h THR 202 Cb 0.12 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3ieb h THR 202 CO -0.03 0.04 0.38 0.00 0.37 0.00 0.00 175.52 176.29 3ieb h ALA 203 N 1.16 0.77 -0.75 6.16 0.00 -1.01 0.16 119.26 125.76 3ieb h ALA 203 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3ieb h ALA 203 Cb 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3ieb h ALA 203 CO -0.12 0.15 0.37 0.00 0.00 0.00 0.00 179.25 179.65 3ieb h ALA 204 N 1.24 0.97 -0.64 0.00 0.00 -0.99 0.08 119.26 119.91 3ieb h ALA 204 Ca 0.23 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3ieb h ALA 204 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3ieb h ALA 204 CO -0.07 0.52 0.10 0.00 0.00 0.00 0.00 179.25 179.80 3ieb h ALA 205 N 1.18 0.96 -0.25 0.00 0.00 0.09 -0.37 119.26 120.87 3ieb h ALA 205 Ca 0.26 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3ieb h ALA 205 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ieb h ALA 205 CO -0.03 0.65 -0.01 -0.07 0.00 0.00 0.00 179.25 179.78 3ieb h LEU 206 N 0.99 0.45 -1.38 0.00 3.38 -0.36 -2.89 115.31 115.49 3ieb h LEU 206 Ca 0.20 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ieb h LEU 206 Cb 0.43 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ieb h LEU 206 CO 0.01 0.66 0.36 0.03 0.09 0.00 0.00 178.44 179.59 3ieb h ARG 207 N 0.23 0.77 -0.17 1.13 3.08 -0.72 -0.48 114.38 118.23 3ieb h ARG 207 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3ieb h ARG 207 Cb 0.44 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3ieb h ARG 207 CO 0.02 0.54 -0.05 1.49 -1.07 0.00 0.00 179.97 180.89 3ieb h GLU 208 N 0.79 0.25 0.20 0.04 4.81 -0.97 -0.67 114.58 119.03 3ieb h GLU 208 Ca 0.21 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 59.11 3ieb h GLU 208 Cb -0.05 -0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.32 3ieb h GLU 208 CO -0.04 0.31 -1.29 1.96 -0.73 0.00 0.00 179.01 179.22 3ieb h GLN 209 N 0.24 0.41 -0.97 1.92 1.08 -1.10 -3.24 115.11 113.46 3ieb h GLN 209 Ca 0.06 -0.71 0.11 0.00 -1.45 0.00 0.00 58.65 56.66 3ieb h GLN 209 Cb 0.25 0.26 -0.08 0.00 -0.05 0.00 0.00 27.48 27.86 3ieb h GLN 209 CO 0.01 1.34 0.62 0.82 -0.95 0.00 0.00 178.83 180.67 3ieb h ILE 210 N -0.08 0.96 -0.03 2.54 2.04 -0.74 -1.56 117.51 120.64 3ieb h ILE 210 Ca -0.24 -0.34 -0.07 0.00 1.00 0.00 0.00 64.86 65.21 3ieb h ILE 210 Cb 1.94 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 3ieb h ILE 210 CO 0.20 0.18 -0.32 0.44 0.00 0.00 0.00 178.15 178.65 3ieb h ASP 211 N 0.99 0.05 0.19 1.72 3.32 -1.21 -0.52 116.42 120.96 3ieb h ASP 211 Ca 0.46 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 3ieb h ASP 211 Cb 0.42 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3ieb h ASP 211 CO -0.22 0.37 -0.22 0.03 -1.72 0.00 0.00 179.24 177.48 3ieb h ARG 212 N 0.05 0.08 -0.00 3.56 3.08 -1.30 -3.35 114.38 116.49 3ieb h ARG 212 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ieb h ARG 212 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3ieb h ARG 212 CO 0.04 0.30 -0.08 1.19 -1.07 0.00 0.00 179.97 180.35 3ieb n PHE 213 N -4.24 0.00 -4.20 3.04 3.72 -0.84 -5.00 117.46 109.93 3ieb n PHE 213 Ca -0.02 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.22 3ieb n PHE 213 Cb 0.30 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.73 3ieb n PHE 213 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3ieb s TRP 214 N -0.92 1.21 -2.94 1.38 0.51 -0.26 -4.65 118.94 113.28 3ieb s TRP 214 Ca 0.02 -0.59 0.25 0.00 -2.12 0.00 0.00 56.10 53.65 3ieb s TRP 214 Cb 0.02 -0.65 0.30 0.00 -0.81 0.00 0.00 33.47 32.33 3ieb s TRP 214 CO 0.09 0.07 1.32 -0.35 -0.51 0.00 0.00 176.95 177.56