#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eia n ARG 18 N 0.00 -3.42 0.00 -0.52 0.00 -1.26 -4.04 116.66 107.43 2eia n ARG 18 Ca 0.00 2.66 0.00 0.00 -0.00 0.00 0.00 57.85 60.51 2eia n ARG 18 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 32.46 28.98 2eia n ARG 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2eia n GLY 19 N 1.22 2.27 0.43 5.14 0.00 -1.26 -4.83 105.19 108.16 2eia n GLY 19 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 2eia n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2eia h TYR 20 N 0.00 -1.54 0.68 1.61 3.20 -1.99 1.12 116.97 120.05 2eia h TYR 20 Ca 0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2eia h TYR 20 Cb 0.00 0.70 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2eia h TYR 20 CO 0.00 -0.49 -0.41 1.15 -1.64 0.00 0.00 178.16 176.76 2eia h THR 21 N -0.48 0.16 -0.86 1.81 2.02 -1.92 -0.54 112.91 113.10 2eia h THR 21 Ca 0.04 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.35 2eia h THR 21 Cb 0.61 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 2eia h THR 21 CO -0.46 0.00 0.47 0.74 0.37 0.00 0.00 175.52 176.64 2eia h THR 22 N -1.03 0.81 0.08 3.16 2.02 -1.92 0.16 112.91 116.18 2eia h THR 22 Ca -0.09 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2eia h THR 22 Cb 0.83 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2eia h THR 22 CO 0.09 0.13 -0.06 -0.25 0.37 0.00 0.00 175.52 175.80 2eia h TRP 23 N 0.72 -0.18 -0.90 3.16 -0.00 0.17 0.92 115.95 119.83 2eia h TRP 23 Ca 0.45 0.00 0.21 0.00 -0.00 0.00 0.00 58.89 59.55 2eia h TRP 23 Cb 0.55 0.07 -0.12 0.00 -0.00 0.00 0.00 29.16 29.65 2eia h TRP 23 CO -0.07 -0.09 0.42 0.28 -0.00 0.00 0.00 178.44 178.98 2eia h VAL 24 N -0.14 0.52 -0.84 2.65 2.07 -0.80 -0.02 116.25 119.69 2eia h VAL 24 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2eia h VAL 24 Cb 0.12 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.87 2eia h VAL 24 CO 0.00 0.08 0.50 -1.13 0.02 0.00 0.00 177.57 177.05 2eia h ASN 25 N 0.45 1.01 -0.16 0.57 -0.73 -0.41 0.89 115.58 117.21 2eia h ASN 25 Ca 0.55 -0.07 -0.11 0.00 1.87 0.00 0.00 56.30 58.54 2eia h ASN 25 Cb 1.02 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.36 2eia h ASN 25 CO -0.50 0.78 -0.35 0.74 -0.37 0.00 0.00 177.43 177.74 2eia h THR 26 N 1.15 1.35 -0.09 -3.57 2.02 0.81 -2.38 112.91 112.21 2eia h THR 26 Ca 0.30 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 2eia h THR 26 Cb -0.04 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 2eia h THR 26 CO -0.06 0.49 0.05 0.40 0.37 0.00 0.00 175.52 176.77 2eia h ILE 27 N 0.14 1.03 0.07 3.11 1.08 -0.81 -0.14 117.51 121.99 2eia h ILE 27 Ca 0.00 -0.06 -0.26 0.00 -0.39 0.00 0.00 64.86 64.15 2eia h ILE 27 Cb 0.95 0.91 0.01 0.00 -3.07 0.00 0.00 36.82 35.62 2eia h ILE 27 CO 0.08 0.03 -1.11 1.56 -0.69 0.00 0.00 178.15 178.01 2eia h GLN 28 N 0.12 0.40 0.09 2.37 4.20 -0.65 -1.11 115.11 120.53 2eia h GLN 28 Ca 0.03 -0.53 -0.30 0.00 0.06 0.00 0.00 58.65 57.91 2eia h GLN 28 Cb -0.00 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2eia h GLN 28 CO -0.01 1.20 -1.61 1.79 -0.67 0.00 0.00 178.83 179.53 2eia h THR 29 N 0.18 0.84 0.00 -0.54 1.35 -1.03 -3.38 112.91 110.33 2eia h THR 29 Ca -0.12 -2.32 0.00 0.00 -0.55 0.00 0.00 66.41 63.42 2eia h THR 29 Cb 1.78 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 70.71 2eia h THR 29 CO 0.19 0.68 -1.19 0.59 -0.25 0.00 0.00 175.52 175.54 2eia n ASN 30 N -3.88 0.61 0.00 5.36 4.13 -0.10 -5.07 115.26 116.32 2eia n ASN 30 Ca -0.29 -0.41 0.00 0.00 1.68 0.00 0.00 54.58 55.55 2eia n ASN 30 Cb 0.91 1.08 0.00 0.00 -1.54 0.00 0.00 39.78 40.22 2eia n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2eia n GLY 31 N 1.39 -2.16 3.75 7.41 0.00 -0.42 -4.70 105.19 110.45 2eia n GLY 31 Ca 0.02 -1.39 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 2eia n GLY 31 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2eia s LEU 32 N -2.90 3.63 -0.65 0.99 2.96 -1.23 -3.59 118.68 117.89 2eia s LEU 32 Ca 0.00 2.42 -0.02 0.00 -0.22 0.00 0.00 54.13 56.31 2eia s LEU 32 Cb 0.00 -4.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.07 2eia s LEU 32 CO 0.00 -1.68 0.56 0.18 -1.32 0.00 0.00 176.35 174.08 2eia n LEU 33 N -1.70 -3.62 -3.88 -0.68 4.77 -1.26 -4.99 117.00 105.65 2eia n LEU 33 Ca 0.14 -0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 55.63 2eia n LEU 33 Cb 0.49 -2.04 -0.10 0.00 -2.33 0.00 0.00 43.42 39.44 2eia n LEU 33 CO 0.45 0.14 -0.18 0.21 -1.33 0.00 0.00 177.39 176.68 2eia s ASN 34 N -3.52 0.03 0.30 -1.43 3.84 -1.24 -4.56 114.94 108.36 2eia s ASN 34 Ca 0.13 -0.21 0.05 0.00 0.21 0.00 0.00 52.86 53.04 2eia s ASN 34 Cb -0.02 0.20 0.76 0.00 -0.55 0.00 0.00 41.25 41.64 2eia s ASN 34 CO 0.42 -0.36 1.73 -0.33 -2.79 0.00 0.00 177.10 175.77 2eia h GLU 35 N 4.33 0.54 -0.18 0.43 5.08 -1.93 0.64 114.58 123.49 2eia h GLU 35 Ca -0.31 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 2eia h GLU 35 Cb 1.19 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2eia h GLU 35 CO 0.41 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.78 2eia h ALA 36 N 1.68 0.24 -0.64 3.43 0.00 -1.96 -1.36 119.26 120.66 2eia h ALA 36 Ca 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2eia h ALA 36 Cb 1.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2eia h ALA 36 CO -0.46 -0.05 0.40 0.77 0.00 0.00 0.00 179.25 179.92 2eia h SER 37 N 0.07 0.76 -0.13 0.00 0.02 -1.44 -1.67 113.55 111.16 2eia h SER 37 Ca 0.05 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2eia h SER 37 Cb 0.38 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2eia h SER 37 CO 0.01 0.58 0.07 -0.61 -1.14 0.00 0.00 176.83 175.74 2eia h GLN 38 N 0.87 0.15 -0.10 3.45 4.15 -0.80 -0.86 115.11 121.96 2eia h GLN 38 Ca 0.23 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.67 2eia h GLN 38 Cb -0.05 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2eia h GLN 38 CO -0.05 0.10 -0.04 -0.91 -1.93 0.00 0.00 178.83 176.00 2eia h ASN 39 N 0.15 -0.14 -0.63 -0.69 -0.26 -0.98 -1.32 115.58 111.71 2eia h ASN 39 Ca 0.05 0.04 0.06 0.00 -0.56 0.00 0.00 56.30 55.89 2eia h ASN 39 Cb 0.00 0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.29 2eia h ASN 39 CO -0.03 -0.05 0.34 0.25 -1.06 0.00 0.00 177.43 176.87 2eia h LEU 40 N -0.02 0.48 -0.36 1.61 6.46 -1.13 -1.37 115.31 120.97 2eia h LEU 40 Ca 0.06 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2eia h LEU 40 Cb 0.11 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2eia h LEU 40 CO -0.12 0.31 0.19 0.15 -0.62 0.00 0.00 178.44 178.35 2eia h PHE 41 N 0.62 0.34 -0.96 1.25 3.57 -0.70 -0.10 116.94 120.96 2eia h PHE 41 Ca 0.29 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.90 2eia h PHE 41 Cb 0.20 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.77 2eia h PHE 41 CO -0.09 0.19 0.60 0.78 -2.23 0.00 0.00 178.31 177.56 2eia h GLY 42 N 0.38 1.52 1.01 2.40 0.00 -0.26 -0.22 103.07 107.89 2eia h GLY 42 Ca 0.15 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 2eia h GLY 42 CO -0.10 0.22 -0.49 -2.22 0.00 0.00 0.00 176.54 173.95 2eia h ILE 43 N 1.02 1.31 0.00 2.60 2.04 -0.55 -3.32 117.51 120.61 2eia h ILE 43 Ca 0.45 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2eia h ILE 43 Cb 0.34 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 2eia h ILE 43 CO -0.23 0.54 -0.14 -0.07 0.00 0.00 0.00 178.15 178.26 2eia h LEU 44 N 0.40 0.00 -0.18 1.44 3.38 -0.76 -3.34 115.31 116.25 2eia h LEU 44 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2eia h LEU 44 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2eia h LEU 44 CO 0.11 0.00 -0.53 -1.54 0.09 0.00 0.00 178.44 176.57 2eia n SER 45 N -2.90 0.81 -4.67 -0.43 3.41 -0.12 -4.80 113.62 104.91 2eia n SER 45 Ca 0.04 -0.61 -0.49 0.00 -0.26 0.00 0.00 58.87 57.55 2eia n SER 45 Cb 0.52 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.78 2eia n SER 45 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2eia n VAL 46 N -1.20 0.31 -0.89 -3.33 0.31 -1.25 -0.15 118.33 112.13 2eia n VAL 46 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2eia n VAL 46 Cb 0.35 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 2eia n VAL 46 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2eia n ASP 47 N 5.10 -2.62 -4.79 4.52 10.43 -1.26 -4.99 116.55 122.94 2eia n ASP 47 Ca 0.21 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 57.24 2eia n ASP 47 Cb 0.27 -1.72 0.04 0.00 1.84 0.00 0.00 41.12 41.55 2eia n ASP 47 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2eia s THR 49 N -2.56 4.70 0.36 0.00 -4.23 -1.26 -4.84 115.64 107.81 2eia s THR 49 Ca 0.64 0.60 0.08 0.00 -1.18 0.00 0.00 61.69 61.82 2eia s THR 49 Cb -0.18 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.14 2eia s THR 49 CO 0.44 -1.00 1.91 0.28 -0.54 0.00 0.00 174.62 175.71 2eia h SER 50 N -0.14 0.64 -0.35 3.99 0.02 -1.88 -0.06 113.55 115.78 2eia h SER 50 Ca -0.45 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2eia h SER 50 Cb 1.20 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2eia h SER 50 CO 0.62 0.37 0.17 -0.08 -1.14 0.00 0.00 176.83 176.76 2eia h GLU 51 N 0.70 0.50 -0.47 3.45 4.81 -1.87 -1.04 114.58 120.66 2eia h GLU 51 Ca 0.39 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 2eia h GLU 51 Cb 0.54 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2eia h GLU 51 CO -0.15 0.45 0.31 0.93 -0.73 0.00 0.00 179.01 179.82 2eia h GLU 52 N 0.42 0.63 -0.61 1.92 5.08 -1.56 -1.62 114.58 118.84 2eia h GLU 52 Ca 0.12 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2eia h GLU 52 Cb 0.12 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2eia h GLU 52 CO -0.01 0.42 0.33 0.52 -1.00 0.00 0.00 179.01 179.27 2eia h MET 53 N 0.64 0.85 -0.54 2.33 2.86 -0.84 -1.68 114.93 118.55 2eia h MET 53 Ca 0.17 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2eia h MET 53 Cb -0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 2eia h MET 53 CO -0.04 0.65 0.36 -0.91 1.06 0.00 0.00 176.91 178.03 2eia h ASN 54 N 0.83 0.48 -0.21 1.22 -0.26 -0.83 -0.82 115.58 115.99 2eia h ASN 54 Ca 0.21 -0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.95 2eia h ASN 54 Cb 0.04 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 2eia h ASN 54 CO -0.03 0.32 0.13 0.00 -1.06 0.00 0.00 177.43 176.79 2eia h ALA 55 N 1.70 0.26 -0.55 -0.83 0.00 -0.37 -0.73 119.26 118.74 2eia h ALA 55 Ca 0.23 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2eia h ALA 55 Cb 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 2eia h ALA 55 CO -0.06 -0.24 0.06 0.74 0.00 0.00 0.00 179.25 179.75 2eia h PHE 56 N 0.26 0.08 0.00 0.00 0.04 -0.76 0.71 116.94 117.28 2eia h PHE 56 Ca 0.07 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2eia h PHE 56 Cb 0.01 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 2eia h PHE 56 CO -0.05 -0.08 -0.16 -0.07 -0.60 0.00 0.00 178.31 177.35 2eia h LEU 57 N 0.19 0.00 0.05 1.54 3.38 -0.88 -2.97 115.31 116.62 2eia h LEU 57 Ca 0.29 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.94 2eia h LEU 57 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2eia h LEU 57 CO -0.41 0.16 -1.78 0.44 0.09 0.00 0.00 178.44 176.94 2eia h ASP 58 N 0.00 0.16 0.00 -0.43 3.32 0.51 -3.25 116.42 116.74 2eia h ASP 58 Ca -0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2eia h ASP 58 Cb 0.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 2eia h ASP 58 CO 0.02 1.31 0.00 0.55 -1.72 0.00 0.00 179.24 179.40 2eia n VAL 59 N -3.22 0.00 -1.82 -1.35 3.14 0.23 -4.66 118.33 110.66 2eia n VAL 59 Ca -0.21 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.75 2eia n VAL 59 Cb 1.05 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 33.01 2eia n VAL 59 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 2eia s VAL 60 N -2.00 2.17 -1.62 1.55 1.01 -1.15 -4.78 120.40 115.58 2eia s VAL 60 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2eia s VAL 60 Cb 0.08 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2eia s VAL 60 CO 0.13 0.02 0.15 -0.81 0.00 0.00 0.00 175.10 174.59 2eia n PRO 61 N 2.20 0.00 -1.80 2.72 -0.04 -1.26 -4.77 135.00 132.05 2eia n PRO 61 Ca 0.08 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 2eia n PRO 61 Cb 0.38 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2eia n PRO 61 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2eia n GLY 62 N -0.59 -2.07 1.59 0.55 0.00 -1.26 -4.95 105.19 98.46 2eia n GLY 62 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.17 2eia n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2eia n GLN 63 N -0.13 3.69 0.00 1.61 6.02 -1.26 -4.95 117.38 122.36 2eia n GLN 63 Ca 0.01 -2.85 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 2eia n GLN 63 Cb 0.05 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.42 2eia n GLN 63 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2eia n ALA 64 N 1.16 0.00 0.04 -1.58 0.00 -1.26 -2.04 120.51 116.84 2eia n ALA 64 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 2eia n ALA 64 Cb 0.88 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.27 2eia n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2eia h GLY 65 N 0.00 -0.68 0.60 0.00 0.00 -1.98 0.53 103.07 101.53 2eia h GLY 65 Ca 0.00 0.48 0.03 0.00 0.00 0.00 0.00 47.33 47.84 2eia h GLY 65 CO 0.00 -0.24 -0.09 1.46 0.00 0.00 0.00 176.54 177.67 2eia h GLN 66 N -0.52 -0.10 -0.54 4.80 1.08 -1.79 -0.03 115.11 118.02 2eia h GLN 66 Ca 0.06 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2eia h GLN 66 Cb 0.62 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.05 2eia h GLN 66 CO -0.33 -0.06 0.32 -0.22 -0.95 0.00 0.00 178.83 177.59 2eia h LYS 67 N -0.10 0.72 -0.23 1.46 3.64 -1.64 -2.13 116.57 118.29 2eia h LYS 67 Ca 0.08 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 2eia h LYS 67 Cb 0.22 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2eia h LYS 67 CO -0.19 0.51 -0.35 1.96 -2.27 0.00 0.00 179.45 179.11 2eia h GLN 68 N 0.74 0.65 -0.60 1.90 1.08 0.84 -1.34 115.11 118.37 2eia h GLN 68 Ca 0.19 -0.39 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 2eia h GLN 68 Cb -0.03 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 2eia h GLN 68 CO -0.04 1.00 0.29 0.97 -0.95 0.00 0.00 178.83 180.11 2eia h ILE 69 N 0.36 1.20 -0.29 2.54 6.09 -0.77 -1.27 117.51 125.36 2eia h ILE 69 Ca 0.02 -0.54 -0.06 0.00 -1.37 0.00 0.00 64.86 62.91 2eia h ILE 69 Cb 0.94 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 2eia h ILE 69 CO 0.08 0.23 -0.06 0.25 -3.07 0.00 0.00 178.15 175.58 2eia h LEU 70 N 0.84 0.55 -0.82 2.19 5.85 -1.23 -1.53 115.31 121.17 2eia h LEU 70 Ca 0.21 -0.36 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2eia h LEU 70 Cb 0.08 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2eia h LEU 70 CO -0.03 0.78 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.64 2eia h LEU 71 N 0.32 0.73 -0.27 2.25 3.38 -0.91 -0.19 115.31 120.61 2eia h LEU 71 Ca 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2eia h LEU 71 Cb 0.53 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2eia h LEU 71 CO 0.03 0.89 0.10 0.44 0.09 0.00 0.00 178.44 179.98 2eia h ASP 72 N 0.66 0.39 -0.73 -0.43 3.45 -1.19 0.12 116.42 118.69 2eia h ASP 72 Ca 0.11 -0.18 0.08 0.00 0.43 0.00 0.00 57.03 57.46 2eia h ASP 72 Cb 0.61 -0.10 -0.06 0.00 -0.56 0.00 0.00 39.33 39.22 2eia h ASP 72 CO 0.04 0.47 0.40 0.00 -1.57 0.00 0.00 179.24 178.58 2eia h ALA 73 N 0.94 1.00 -0.04 3.45 0.00 -0.88 0.27 119.26 124.00 2eia h ALA 73 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2eia h ALA 73 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2eia h ALA 73 CO -0.01 0.05 -0.36 0.82 0.00 0.00 0.00 179.25 179.75 2eia h ILE 74 N 0.70 1.27 -0.17 0.00 2.04 -0.60 -1.87 117.51 118.89 2eia h ILE 74 Ca 0.34 -1.29 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 2eia h ILE 74 Cb 0.28 1.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2eia h ILE 74 CO -0.22 0.37 -0.21 0.44 0.00 0.00 0.00 178.15 178.53 2eia h ASP 75 N 0.07 0.47 -0.89 1.72 3.32 0.19 0.28 116.42 121.58 2eia h ASP 75 Ca 0.01 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.61 2eia h ASP 75 Cb 0.67 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2eia h ASP 75 CO 0.05 0.88 0.58 0.50 -1.72 0.00 0.00 179.24 179.53 2eia h LYS 76 N 0.07 1.02 0.06 3.56 3.64 -0.42 0.34 116.57 124.84 2eia h LYS 76 Ca 0.02 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2eia h LYS 76 Cb 0.76 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2eia h LYS 76 CO 0.05 0.68 -0.03 0.82 -2.27 0.00 0.00 179.45 178.70 2eia h ILE 77 N 1.05 1.22 -0.67 2.00 1.08 -1.23 -2.66 117.51 118.31 2eia h ILE 77 Ca 0.37 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 2eia h ILE 77 Cb 0.13 1.87 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 2eia h ILE 77 CO -0.13 0.25 0.42 0.00 -0.69 0.00 0.00 178.15 178.00 2eia h ALA 78 N 0.37 0.86 -0.43 1.87 0.00 -0.33 -2.16 119.26 119.44 2eia h ALA 78 Ca -0.01 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2eia h ALA 78 Cb 0.46 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2eia h ALA 78 CO 0.01 0.21 0.02 -0.44 0.00 0.00 0.00 179.25 179.05 2eia h ASP 79 N 0.84 0.66 -0.46 0.00 3.45 -0.40 -1.56 116.42 118.94 2eia h ASP 79 Ca 0.26 -0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 2eia h ASP 79 Cb -0.02 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 2eia h ASP 79 CO -0.09 0.72 0.19 -0.78 -1.57 0.00 0.00 179.24 177.71 2eia h ASP 80 N 0.66 0.67 -0.15 6.45 3.58 -1.04 -0.46 116.42 126.14 2eia h ASP 80 Ca 0.14 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2eia h ASP 80 Cb 0.38 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.26 2eia h ASP 80 CO 0.01 0.62 -0.08 -0.25 -2.88 0.00 0.00 179.24 176.66 2eia h TRP 81 N 0.73 0.36 -0.74 0.28 2.91 -0.78 -1.81 115.95 116.90 2eia h TRP 81 Ca 0.18 -0.09 0.03 0.00 1.13 0.00 0.00 58.89 60.13 2eia h TRP 81 Cb 0.16 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.69 2eia h TRP 81 CO 0.01 0.64 0.49 -0.44 -1.03 0.00 0.00 178.44 178.11 2eia h ASP 82 N -0.02 0.79 -0.85 2.65 3.45 -1.07 0.15 116.42 121.53 2eia h ASP 82 Ca 0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 2eia h ASP 82 Cb 0.55 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.09 2eia h ASP 82 CO 0.02 0.55 0.48 -1.13 -1.57 0.00 0.00 179.24 177.60 2eia h ASN 83 N 0.92 1.04 0.01 6.45 -0.73 -0.82 -0.99 115.58 121.46 2eia h ASN 83 Ca 0.29 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.37 2eia h ASN 83 Cb 0.02 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.35 2eia h ASN 83 CO -0.08 0.83 -0.04 0.54 -0.37 0.00 0.00 177.43 178.31 2eia n ARG 84 N -4.40 1.67 -3.02 6.67 1.74 -0.57 -4.30 116.66 114.45 2eia n ARG 84 Ca 0.09 -1.06 -0.16 0.00 -0.77 0.00 0.00 57.85 55.95 2eia n ARG 84 Cb 0.08 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2eia n ARG 84 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2eia n HIS 85 N 0.27 -1.09 -1.96 -1.55 8.25 0.43 -5.07 115.22 114.50 2eia n HIS 85 Ca 0.17 -3.11 -0.41 0.00 -0.26 0.00 0.00 57.72 54.11 2eia n HIS 85 Cb 0.39 0.35 -0.02 0.00 1.12 0.00 0.00 29.99 31.83 2eia n HIS 85 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2eia s PRO 86 N -1.18 4.23 -0.08 -0.41 0.04 -0.42 -4.64 135.00 132.54 2eia s PRO 86 Ca 0.33 2.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 2eia s PRO 86 Cb 0.29 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.79 2eia s PRO 86 CO -0.09 -0.42 -0.05 -0.51 0.04 0.00 0.00 177.00 175.96 2eia s LEU 87 N -1.00 1.08 -0.40 -3.56 1.43 -1.26 -5.10 118.68 109.87 2eia s LEU 87 Ca 0.57 -0.20 -0.33 0.00 -1.03 0.00 0.00 54.13 53.14 2eia s LEU 87 Cb -0.43 -0.64 -0.11 0.00 0.03 0.00 0.00 46.19 45.05 2eia s LEU 87 CO 0.50 -0.11 2.27 -2.65 0.23 0.00 0.00 176.35 176.58 2eia n PRO 88 N 4.70 1.13 -3.79 1.29 -0.02 -1.26 -3.33 135.00 133.72 2eia n PRO 88 Ca -0.14 0.26 -0.23 0.00 -2.02 0.00 0.00 63.50 61.37 2eia n PRO 88 Cb 0.50 -2.65 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 2eia n PRO 88 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2eia n ASN 89 N 11.04 -1.30 -4.76 2.55 4.13 -1.26 -4.78 115.26 120.88 2eia n ASN 89 Ca 0.41 -0.72 -0.39 0.00 1.68 0.00 0.00 54.58 55.56 2eia n ASN 89 Cb 0.29 -0.88 0.02 0.00 -1.54 0.00 0.00 39.78 37.67 2eia n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eia s ALA 90 N -4.04 3.03 0.59 5.41 0.00 -1.21 -4.92 121.76 120.62 2eia s ALA 90 Ca 0.18 1.28 -0.19 0.00 0.00 0.00 0.00 51.96 53.24 2eia s ALA 90 Cb -0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2eia s ALA 90 CO 0.55 -1.11 1.06 -0.35 0.00 0.00 0.00 175.76 175.90 2eia n PRO 91 N -0.52 1.04 0.00 0.00 -0.04 -1.26 -4.89 135.00 129.33 2eia n PRO 91 Ca 0.07 0.40 0.15 0.00 -0.04 0.00 0.00 63.50 64.08 2eia n PRO 91 Cb 0.44 -2.26 0.68 0.00 -0.04 0.00 0.00 33.50 32.32 2eia n PRO 91 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2eia n LEU 92 N -0.90 0.67 -3.95 1.53 4.77 -1.26 -4.74 117.00 113.11 2eia n LEU 92 Ca 0.13 -0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2eia n LEU 92 Cb 0.47 -0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 2eia n LEU 92 CO 0.50 0.11 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.60 2eia s VAL 93 N -2.18 0.23 0.27 4.08 1.01 -1.26 -4.34 120.40 118.20 2eia s VAL 93 Ca 0.37 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 2eia s VAL 93 Cb 0.21 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 36.24 2eia s VAL 93 CO 0.40 -0.14 0.97 0.00 0.00 0.00 0.00 175.10 176.33 2eia s ALA 94 N -0.59 3.32 0.52 5.51 0.00 -0.80 -5.01 121.76 124.71 2eia s ALA 94 Ca -0.05 0.65 -0.22 0.00 0.00 0.00 0.00 51.96 52.35 2eia s ALA 94 Cb -0.04 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 2eia s ALA 94 CO -0.00 0.12 1.22 -2.30 0.00 0.00 0.00 175.76 174.80 2eia n PRO 95 N 1.20 1.54 0.00 0.00 -0.02 -1.26 -4.84 135.00 131.62 2eia n PRO 95 Ca -0.01 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2eia n PRO 95 Cb 0.47 -2.39 0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2eia n PRO 95 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2eia n PRO 96 N -0.64 0.00 0.00 0.52 -0.04 -1.26 -4.71 135.00 128.87 2eia n PRO 96 Ca 0.10 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2eia n PRO 96 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 2eia n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eia n GLN 97 N -1.36 0.00 0.00 0.54 0.00 -1.26 -5.03 117.38 110.26 2eia n GLN 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 2eia n GLN 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2eia n GLN 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2eia n GLY 98 N -0.05 2.40 3.49 2.61 0.00 -1.26 -4.94 105.19 107.45 2eia n GLY 98 Ca 0.00 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 2eia n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2eia n PRO 99 N 0.55 0.66 -2.14 1.61 -0.04 -1.26 -4.87 135.00 129.50 2eia n PRO 99 Ca 0.00 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2eia n PRO 99 Cb 0.00 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.00 2eia n PRO 99 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2eia s ILE 100 N 9.50 3.27 0.67 0.52 1.01 -1.26 -4.97 121.20 129.94 2eia s ILE 100 Ca 1.15 0.89 -0.17 0.00 0.00 0.00 0.00 60.65 62.52 2eia s ILE 100 Cb -0.79 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2eia s ILE 100 CO 0.42 0.06 0.97 -2.65 0.00 0.00 0.00 174.94 173.74 2eia n PRO 101 N 4.13 0.69 -2.92 2.79 -0.02 -1.26 -4.92 135.00 133.49 2eia n PRO 101 Ca 0.12 0.29 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 2eia n PRO 101 Cb 0.42 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2eia n PRO 101 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 2eia n MET 102 N -1.51 4.30 -2.80 -0.52 1.56 -1.26 -4.83 117.12 112.06 2eia n MET 102 Ca 0.14 -4.68 -0.29 0.00 -0.27 0.00 0.00 57.70 52.60 2eia n MET 102 Cb 0.49 -2.40 -0.02 0.00 2.15 0.00 0.00 33.22 33.44 2eia n MET 102 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2eia s THR 103 N -3.66 4.87 0.33 1.12 -4.23 -1.26 -4.91 115.64 107.90 2eia s THR 103 Ca 0.39 0.36 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 2eia s THR 103 Cb 0.16 -3.80 0.30 0.00 1.34 0.00 0.00 72.50 70.51 2eia s THR 103 CO -0.05 -0.66 1.87 0.00 -0.54 0.00 0.00 174.62 175.25 2eia h ALA 104 N 0.79 1.68 -0.32 3.99 0.00 -1.92 0.64 119.26 124.12 2eia h ALA 104 Ca -0.47 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2eia h ALA 104 Cb 1.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2eia h ALA 104 CO 0.63 0.11 0.01 -0.09 0.00 0.00 0.00 179.25 179.91 2eia h ARG 105 N 0.84 0.10 0.00 0.00 2.43 -1.92 -1.79 114.38 114.05 2eia h ARG 105 Ca 0.44 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.52 2eia h ARG 105 Cb 0.52 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2eia h ARG 105 CO -0.20 0.07 -0.39 0.74 -1.51 0.00 0.00 179.97 178.67 2eia h PHE 106 N 0.11 0.00 -0.12 2.20 0.04 -1.37 -2.38 116.94 115.42 2eia h PHE 106 Ca 0.15 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 2eia h PHE 106 Cb 0.20 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 2eia h PHE 106 CO -0.22 0.39 -0.24 0.82 -0.60 0.00 0.00 178.31 178.46 2eia h ILE 107 N 0.00 1.23 -0.00 -0.55 2.04 -0.30 0.40 117.51 120.33 2eia h ILE 107 Ca -0.00 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.80 2eia h ILE 107 Cb 1.08 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 2eia h ILE 107 CO 0.05 0.32 -0.00 0.54 0.00 0.00 0.00 178.15 179.06 2eia n ARG 108 N -4.18 1.01 -1.56 2.37 1.74 -0.73 -4.52 116.66 110.78 2eia n ARG 108 Ca -0.01 -0.11 -0.19 0.00 -0.77 0.00 0.00 57.85 56.77 2eia n ARG 108 Cb 0.35 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 2eia n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2eia n GLY 109 N 1.05 1.84 0.00 -0.13 0.00 0.14 -4.58 105.19 103.51 2eia n GLY 109 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2eia n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2eia n LEU 110 N -2.20 0.00 -0.55 0.99 4.77 -0.92 -2.42 117.00 116.67 2eia n LEU 110 Ca -0.19 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2eia n LEU 110 Cb 0.67 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2eia n LEU 110 CO 0.29 0.00 0.16 0.61 -1.33 0.00 0.00 177.39 177.12 2eia n GLY 111 N -0.25 0.88 3.41 -0.72 0.00 -1.26 -4.68 105.19 102.57 2eia n GLY 111 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2eia n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eia s VAL 112 N -0.84 4.75 0.25 1.61 1.01 -1.01 -1.90 120.40 124.26 2eia s VAL 112 Ca 0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 2eia s VAL 112 Cb 0.00 -3.62 -0.14 0.00 0.00 0.00 0.00 36.38 32.63 2eia s VAL 112 CO 0.00 -0.21 1.31 -0.81 0.00 0.00 0.00 175.10 175.39 2eia n PRO 113 N 5.03 1.85 -0.06 2.72 -0.04 -1.26 -4.75 135.00 138.49 2eia n PRO 113 Ca -0.12 0.65 -0.04 0.00 -0.04 0.00 0.00 63.50 63.95 2eia n PRO 113 Cb 0.47 -2.24 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2eia n PRO 113 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2eia h ARG 114 N 3.55 -0.10 -0.32 0.54 2.43 -1.96 0.41 114.38 118.93 2eia h ARG 114 Ca -0.44 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 58.79 2eia h ARG 114 Cb 1.29 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.81 2eia h ARG 114 CO 0.71 -0.07 -0.12 -1.91 -1.51 0.00 0.00 179.97 177.07 2eia n GLU 115 N -3.60 -0.07 0.08 0.20 2.13 -1.26 0.20 120.64 118.32 2eia n GLU 115 Ca -0.01 0.49 0.13 0.00 0.66 0.00 0.00 57.16 58.44 2eia n GLU 115 Cb 0.11 -0.73 0.39 0.00 0.27 0.00 0.00 31.44 31.47 2eia n GLU 115 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2eia n ARG 116 N -4.48 0.22 0.17 5.31 0.63 -0.01 -3.43 116.66 115.07 2eia n ARG 116 Ca 0.04 0.15 0.06 0.00 -0.92 0.00 0.00 57.85 57.17 2eia n ARG 116 Cb 0.13 -1.72 0.09 0.00 0.45 0.00 0.00 32.46 31.41 2eia n ARG 116 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2eia h GLN 117 N 0.00 0.00 0.00 -0.14 4.20 0.37 -3.22 115.11 116.33 2eia h GLN 117 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2eia h GLN 117 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2eia h GLN 117 CO 0.00 0.35 0.00 -1.33 -0.67 0.00 0.00 178.83 177.18 2eia n MET 118 N -3.20 0.17 -2.67 1.46 2.81 -0.99 -4.53 117.12 110.17 2eia n MET 118 Ca 0.02 0.21 -0.41 0.00 -1.81 0.00 0.00 57.70 55.72 2eia n MET 118 Cb 0.66 -1.73 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 2eia n MET 118 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2eia s GLU 119 N -3.11 4.73 0.00 0.03 -1.05 -1.22 -4.86 118.70 113.23 2eia s GLU 119 Ca 0.10 1.55 0.00 0.00 -0.15 0.00 0.00 54.97 56.47 2eia s GLU 119 Cb 0.13 -3.30 0.00 0.00 -0.44 0.00 0.00 34.13 30.51 2eia s GLU 119 CO 0.52 0.30 0.36 -0.35 0.95 0.00 0.00 175.26 177.04 2eia n PRO 120 N 2.07 0.00 0.00 -4.83 -0.04 -1.26 -1.02 135.00 129.92 2eia n PRO 120 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2eia n PRO 120 Cb 0.47 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2eia n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2eia n ALA 121 N 2.58 0.00 0.99 0.55 0.00 -1.26 -4.74 120.51 118.63 2eia n ALA 121 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2eia n ALA 121 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2eia n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2eia n PHE 122 N 0.00 0.00 0.00 0.00 7.35 -0.19 -4.53 117.46 120.10 2eia n PHE 122 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 2eia n PHE 122 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2eia n PHE 122 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2eia h ASP 123 N 4.00 -1.32 -0.33 -2.13 5.19 -1.85 0.21 116.42 120.19 2eia h ASP 123 Ca 0.00 0.17 0.10 0.00 -0.62 0.00 0.00 57.03 56.68 2eia h ASP 123 Cb 0.92 0.54 -0.01 0.00 0.18 0.00 0.00 39.33 40.95 2eia h ASP 123 CO 0.00 -0.43 0.25 1.56 -3.12 0.00 0.00 179.24 177.50 2eia h GLN 124 N -0.49 0.00 0.53 3.56 4.20 -1.97 -0.33 115.11 120.60 2eia h GLN 124 Ca 0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 2eia h GLN 124 Cb 0.63 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.41 2eia h GLN 124 CO -0.39 0.00 -0.25 0.74 -0.67 0.00 0.00 178.83 178.25 2eia h PHE 125 N 0.00 -0.65 -0.57 2.96 -1.00 -0.92 -3.00 116.94 113.75 2eia h PHE 125 Ca 0.16 -0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2eia h PHE 125 Cb 0.66 0.22 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 2eia h PHE 125 CO 0.00 -0.41 0.18 0.07 -1.61 0.00 0.00 178.31 176.55 2eia h ARG 126 N -1.10 0.86 -0.02 1.51 0.11 -0.92 -1.13 114.38 113.68 2eia h ARG 126 Ca -0.07 -0.16 -0.04 0.00 0.10 0.00 0.00 59.98 59.82 2eia h ARG 126 Cb 0.54 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 31.48 2eia h ARG 126 CO 0.12 0.74 -0.16 1.96 0.10 0.00 0.00 179.97 182.73 2eia h GLN 127 N 0.84 0.02 0.17 0.08 4.20 -1.17 0.11 115.11 119.36 2eia h GLN 127 Ca 0.19 -0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.60 2eia h GLN 127 Cb 0.24 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.03 2eia h GLN 127 CO -0.01 0.18 -1.31 1.15 -0.67 0.00 0.00 178.83 178.17 2eia h THR 128 N 0.02 1.42 -0.49 -0.54 2.02 -1.27 -3.04 112.91 111.04 2eia h THR 128 Ca 0.00 -2.92 -0.08 0.00 0.77 0.00 0.00 66.41 64.19 2eia h THR 128 Cb 0.29 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 69.65 2eia h THR 128 CO 0.02 0.86 0.01 0.22 0.37 0.00 0.00 175.52 177.00 2eia h TYR 129 N 0.11 0.93 -0.64 3.16 3.20 -0.57 -0.39 116.97 122.78 2eia h TYR 129 Ca -0.17 -0.16 0.10 0.00 3.14 0.00 0.00 58.73 61.63 2eia h TYR 129 Cb 2.03 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.98 2eia h TYR 129 CO 0.09 0.88 0.25 -0.09 -1.64 0.00 0.00 178.16 177.65 2eia h ARG 130 N 0.72 0.43 -0.85 1.82 2.43 -0.85 -0.30 114.38 117.78 2eia h ARG 130 Ca 0.14 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2eia h ARG 130 Cb 0.50 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 2eia h ARG 130 CO 0.02 0.28 0.40 1.96 -1.51 0.00 0.00 179.97 181.13 2eia h GLN 131 N 0.44 1.23 -0.70 0.20 1.08 -1.32 0.17 115.11 116.21 2eia h GLN 131 Ca 0.32 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 2eia h GLN 131 Cb 0.40 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 2eia h GLN 131 CO -0.31 0.95 0.20 -1.49 -0.95 0.00 0.00 178.83 177.23 2eia h TRP 132 N 1.21 1.14 -0.37 2.96 4.06 0.45 0.32 115.95 125.72 2eia h TRP 132 Ca 0.29 -0.12 -0.10 0.00 2.06 0.00 0.00 58.89 61.02 2eia h TRP 132 Cb 0.13 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.96 2eia h TRP 132 CO 0.02 0.91 -0.15 0.82 -3.56 0.00 0.00 178.44 176.48 2eia h ILE 133 N 1.03 1.28 -0.92 1.49 2.04 -0.82 0.34 117.51 121.96 2eia h ILE 133 Ca 0.22 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2eia h ILE 133 Cb 0.32 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2eia h ILE 133 CO -0.00 0.42 0.52 0.40 0.00 0.00 0.00 178.15 179.48 2eia h ILE 134 N 0.55 1.26 -0.46 -0.67 2.04 -0.48 -0.10 117.51 119.65 2eia h ILE 134 Ca 0.09 -0.62 -0.14 0.00 1.00 0.00 0.00 64.86 65.19 2eia h ILE 134 Cb 0.68 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2eia h ILE 134 CO 0.05 0.29 -0.24 -0.33 0.00 0.00 0.00 178.15 177.91 2eia h GLU 135 N 1.28 0.98 0.07 2.37 5.08 -0.07 -1.68 114.58 122.61 2eia h GLU 135 Ca 0.32 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2eia h GLU 135 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2eia h GLU 135 CO -0.06 1.11 -0.03 0.00 -1.00 0.00 0.00 179.01 179.03 2eia h ALA 136 N 0.87 -0.09 -0.60 3.43 0.00 0.26 -0.76 119.26 122.37 2eia h ALA 136 Ca 0.10 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2eia h ALA 136 Cb 0.82 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2eia h ALA 136 CO 0.07 -0.55 0.31 0.52 0.00 0.00 0.00 179.25 179.60 2eia h MET 137 N -0.10 0.56 -0.11 0.00 2.86 -0.99 0.06 114.93 117.21 2eia h MET 137 Ca -0.01 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2eia h MET 137 Cb 0.08 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.55 2eia h MET 137 CO 0.02 0.37 -0.46 1.03 1.06 0.00 0.00 176.91 178.92 2eia h SER 138 N 0.57 -1.45 -0.76 1.22 0.87 -0.55 0.35 113.55 113.80 2eia h SER 138 Ca 0.27 0.18 0.12 0.00 -1.23 0.00 0.00 61.79 61.14 2eia h SER 138 Cb 0.20 0.58 -0.08 0.00 -0.44 0.00 0.00 62.40 62.65 2eia h SER 138 CO -0.19 -0.46 0.36 -0.33 -0.53 0.00 0.00 176.83 175.69 2eia h GLU 139 N -0.54 0.55 0.03 2.24 4.39 -0.53 -0.24 114.58 120.49 2eia h GLU 139 Ca 0.06 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.74 2eia h GLU 139 Cb 0.66 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2eia h GLU 139 CO -0.40 0.37 -0.15 0.78 -1.16 0.00 0.00 179.01 178.44 2eia h GLY 140 N 0.57 -0.22 1.41 -3.84 0.00 0.10 -2.10 103.07 99.00 2eia h GLY 140 Ca 0.40 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.94 2eia h GLY 140 CO -0.33 -0.15 0.32 -2.22 0.00 0.00 0.00 176.54 174.16 2eia h ILE 141 N -0.27 1.04 -0.18 2.60 2.04 0.60 -0.75 117.51 122.59 2eia h ILE 141 Ca 0.04 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 2eia h ILE 141 Cb 0.32 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2eia h ILE 141 CO -0.12 0.09 -0.27 0.11 0.00 0.00 0.00 178.15 177.96 2eia h LYS 142 N 0.52 0.33 -0.12 2.37 1.57 -0.44 -0.84 116.57 119.96 2eia h LYS 142 Ca 0.19 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 2eia h LYS 142 Cb 0.13 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2eia h LYS 142 CO -0.05 0.58 -0.24 0.28 -0.57 0.00 0.00 179.45 179.45 2eia h VAL 143 N 0.29 1.38 0.00 0.50 2.07 -0.59 -3.02 116.25 116.88 2eia h VAL 143 Ca 0.04 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 2eia h VAL 143 Cb 0.63 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2eia h VAL 143 CO 0.05 0.44 -0.00 0.24 0.02 0.00 0.00 177.57 178.31 2eia h MET 144 N -0.04 0.00 -6.88 1.57 2.86 -0.93 -3.42 114.93 108.08 2eia h MET 144 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 2eia h MET 144 Cb 0.83 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.58 2eia h MET 144 CO 0.05 0.00 0.78 0.42 1.06 0.00 0.00 176.91 179.22 2eia s ILE 145 N -4.50 2.23 0.00 -1.22 1.01 -0.35 -2.72 121.20 115.65 2eia s ILE 145 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2eia s ILE 145 Cb 0.15 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.48 2eia s ILE 145 CO 0.51 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2eia n GLY 146 N 1.09 1.54 3.77 6.18 0.00 -1.26 -4.99 105.19 111.51 2eia n GLY 146 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2eia n GLY 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2eia s LYS 147 N -0.11 3.92 0.86 1.61 -0.14 -1.10 -4.98 119.74 119.79 2eia s LYS 147 Ca 0.00 1.97 -0.12 0.00 -1.36 0.00 0.00 55.97 56.46 2eia s LYS 147 Cb 0.00 -2.64 0.11 0.00 -1.68 0.00 0.00 37.83 33.62 2eia s LYS 147 CO 0.00 -0.47 1.16 -0.35 -0.76 0.00 0.00 175.35 174.93 2eia n PRO 148 N -0.05 -0.10 -1.37 -1.68 -0.04 -1.26 -4.97 135.00 125.52 2eia n PRO 148 Ca 0.05 0.05 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2eia n PRO 148 Cb 0.46 -2.39 0.11 0.00 -0.04 0.00 0.00 33.50 31.63 2eia n PRO 148 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2eia n LYS 149 N -3.63 1.82 0.00 0.54 5.02 -1.26 -4.96 118.16 115.69 2eia n LYS 149 Ca 0.13 -3.30 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 2eia n LYS 149 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 2eia n LYS 149 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2eia n ALA 150 N -0.65 0.00 -0.41 7.82 0.00 -1.26 -4.55 120.51 121.46 2eia n ALA 150 Ca 0.22 0.00 0.33 0.00 0.00 0.00 0.00 53.44 53.99 2eia n ALA 150 Cb 0.86 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.93 2eia n ALA 150 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2eia h GLN 151 N 0.00 0.17 0.00 0.00 1.08 -1.97 1.09 115.11 115.48 2eia h GLN 151 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2eia h GLN 151 Cb 0.00 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2eia h GLN 151 CO 0.00 0.11 -0.77 -0.91 -0.95 0.00 0.00 178.83 176.31 2eia h ASN 152 N 0.17 0.00 -1.85 1.46 -0.26 -1.93 -3.45 115.58 109.73 2eia h ASN 152 Ca 0.73 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.95 2eia h ASN 152 Cb 2.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.52 2eia h ASN 152 CO -0.33 0.08 1.54 -0.63 -1.06 0.00 0.00 177.43 177.03 2eia s ILE 153 N -3.26 3.05 0.01 2.81 -1.09 0.38 -4.91 121.20 118.18 2eia s ILE 153 Ca 0.01 0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.53 2eia s ILE 153 Cb 0.08 -3.09 -0.03 0.00 -1.58 0.00 0.00 42.46 37.84 2eia s ILE 153 CO 0.76 -0.07 -0.17 -0.13 -1.23 0.00 0.00 174.94 174.10 2eia s ARG 154 N 7.28 2.23 0.08 2.79 1.81 -1.26 -4.85 118.95 127.02 2eia s ARG 154 Ca 0.97 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 53.79 2eia s ARG 154 Cb -0.24 -2.25 -0.06 0.00 -0.45 0.00 0.00 34.95 31.95 2eia s ARG 154 CO 0.30 0.57 1.22 -1.14 -0.68 0.00 0.00 175.30 175.56 2eia s GLN 155 N -1.16 4.43 0.95 3.54 0.74 -0.15 -5.03 119.66 122.97 2eia s GLN 155 Ca 0.13 1.81 -0.14 0.00 0.05 0.00 0.00 55.36 57.21 2eia s GLN 155 Cb -0.11 -3.32 0.17 0.00 1.10 0.00 0.00 33.01 30.85 2eia s GLN 155 CO 0.03 -0.25 1.20 0.20 -0.55 0.00 0.00 175.29 175.92 2eia s GLY 156 N 0.94 1.64 0.10 2.59 0.00 -1.26 -4.07 107.32 107.26 2eia s GLY 156 Ca 0.58 -0.81 -0.19 0.00 0.00 0.00 0.00 44.72 44.30 2eia s GLY 156 CO 0.30 -0.16 1.65 0.00 0.00 0.00 0.00 173.10 174.89 2eia h ALA 157 N -1.61 0.30 -0.96 3.20 0.00 -2.01 -2.77 119.26 115.41 2eia h ALA 157 Ca -0.47 -0.11 -0.66 0.00 0.00 0.00 0.00 54.91 53.67 2eia h ALA 157 Cb 1.30 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 2eia h ALA 157 CO 0.52 -0.11 0.62 1.63 0.00 0.00 0.00 179.25 181.90 2eia n LYS 158 N -4.81 2.84 -3.49 0.00 4.01 -1.26 -4.94 118.16 110.51 2eia n LYS 158 Ca -0.03 -3.43 -0.42 0.00 -0.51 0.00 0.00 58.31 53.91 2eia n LYS 158 Cb 0.12 -2.29 -0.10 0.00 -0.51 0.00 0.00 35.03 32.25 2eia n LYS 158 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2eia s GLU 159 N -3.80 3.11 -0.06 1.97 2.56 -1.05 -5.04 118.70 116.40 2eia s GLU 159 Ca 0.63 -0.92 -0.29 0.00 0.00 0.00 0.00 54.97 54.38 2eia s GLU 159 Cb 0.49 -3.92 -0.08 0.00 2.00 0.00 0.00 34.13 32.63 2eia s GLU 159 CO -0.01 -0.66 2.07 -2.30 -0.56 0.00 0.00 175.26 173.80 2eia n PRO 160 N 5.14 2.54 -0.31 4.30 -0.02 -1.26 -4.74 135.00 140.64 2eia n PRO 160 Ca -0.11 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.27 2eia n PRO 160 Cb 0.48 -3.10 0.11 0.00 -0.02 0.00 0.00 33.50 30.97 2eia n PRO 160 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 2eia n TYR 161 N 9.10 0.27 -0.35 6.00 9.36 -1.26 0.41 117.16 140.69 2eia n TYR 161 Ca 0.24 1.06 0.06 0.00 3.32 0.00 0.00 57.90 62.57 2eia n TYR 161 Cb 0.42 -0.98 0.22 0.00 -0.63 0.00 0.00 39.34 38.38 2eia n TYR 161 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 2eia h PRO 162 N 0.00 0.92 -0.01 2.98 0.11 -1.91 -0.64 132.00 133.45 2eia h PRO 162 Ca 0.40 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 2eia h PRO 162 Cb 0.61 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 2eia h PRO 162 CO -0.89 0.61 -0.69 0.93 -0.21 0.00 0.00 178.00 177.75 2eia h GLU 163 N 0.94 0.07 -0.09 1.05 5.08 -0.41 -1.93 114.58 119.29 2eia h GLU 163 Ca 0.47 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2eia h GLU 163 Cb 0.46 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2eia h GLU 163 CO -0.26 0.73 0.04 0.35 -1.00 0.00 0.00 179.01 178.86 2eia h PHE 164 N 0.05 0.14 -0.57 4.33 3.57 -0.26 -1.65 116.94 122.55 2eia h PHE 164 Ca -0.01 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2eia h PHE 164 Cb 1.22 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 2eia h PHE 164 CO 0.01 0.26 0.38 0.28 -2.23 0.00 0.00 178.31 177.01 2eia h VAL 165 N -0.01 1.02 -0.27 1.41 2.07 -1.06 -0.08 116.25 119.32 2eia h VAL 165 Ca 0.03 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2eia h VAL 165 Cb 0.18 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2eia h VAL 165 CO -0.00 0.11 -0.07 -0.78 0.02 0.00 0.00 177.57 176.85 2eia h ASP 166 N 0.58 0.53 -0.57 0.57 1.82 -0.95 0.14 116.42 118.54 2eia h ASP 166 Ca 0.24 -0.36 -0.11 0.00 -0.39 0.00 0.00 57.03 56.41 2eia h ASP 166 Cb 0.22 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2eia h ASP 166 CO -0.07 0.77 -0.06 0.03 -1.61 0.00 0.00 179.24 178.30 2eia h ARG 167 N 0.28 1.06 0.09 0.28 3.08 -0.62 -1.63 114.38 116.92 2eia h ARG 167 Ca 0.07 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.75 2eia h ARG 167 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2eia h ARG 167 CO 0.03 1.07 -0.04 1.25 -1.07 0.00 0.00 179.97 181.20 2eia h LEU 168 N 0.95 -0.10 -0.98 3.04 5.85 -0.92 -2.15 115.31 121.00 2eia h LEU 168 Ca 0.16 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.17 2eia h LEU 168 Cb 0.63 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.54 2eia h LEU 168 CO 0.04 -0.06 0.51 -0.07 -0.34 0.00 0.00 178.44 178.53 2eia h LEU 169 N -0.14 0.45 -0.62 2.25 3.38 -0.81 0.44 115.31 120.25 2eia h LEU 169 Ca -0.01 0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2eia h LEU 169 Cb 0.09 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2eia h LEU 169 CO 0.02 -0.10 0.37 -1.28 0.09 0.00 0.00 178.44 177.54 2eia h SER 170 N 0.34 0.59 0.64 -0.43 0.87 -1.27 0.10 113.55 114.39 2eia h SER 170 Ca 0.69 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 61.23 2eia h SER 170 Cb 1.50 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 63.36 2eia h SER 170 CO -0.60 0.40 -0.31 -0.61 -0.53 0.00 0.00 176.83 175.19 2eia h GLN 171 N 0.72 -0.82 -0.88 2.24 -0.00 0.55 -1.00 115.11 115.91 2eia h GLN 171 Ca 0.26 0.06 0.19 0.00 -0.00 0.00 0.00 58.65 59.15 2eia h GLN 171 Cb 0.06 0.19 -0.07 0.00 0.00 0.00 0.00 27.48 27.67 2eia h GLN 171 CO -0.12 -0.55 0.58 0.97 0.00 0.00 0.00 178.83 179.71 2eia h ILE 172 N -0.97 0.72 -0.46 2.39 2.10 -1.37 0.19 117.51 120.11 2eia h ILE 172 Ca -0.09 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2eia h ILE 172 Cb 0.66 0.22 -0.02 0.00 -1.09 0.00 0.00 36.82 36.58 2eia h ILE 172 CO 0.14 0.08 0.31 0.50 -1.08 0.00 0.00 178.15 178.10 2eia h LYS 173 N 0.46 0.61 0.00 2.19 1.63 -0.64 -2.19 116.57 118.62 2eia h LYS 173 Ca 0.46 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 2eia h LYS 173 Cb 1.05 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2eia h LYS 173 CO -0.18 0.40 0.00 -1.13 -3.45 0.00 0.00 179.45 175.09 2eia n SER 174 N -4.77 0.65 0.00 4.20 3.41 0.58 -2.85 113.62 114.85 2eia n SER 174 Ca 0.02 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.38 2eia n SER 174 Cb 0.02 -0.77 0.75 0.00 -0.26 0.00 0.00 64.21 63.95 2eia n SER 174 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2eia n GLU 175 N -2.16 0.53 -3.83 4.33 1.02 -0.57 -4.92 120.64 115.04 2eia n GLU 175 Ca 0.04 0.02 -0.27 0.00 -0.02 0.00 0.00 57.16 56.93 2eia n GLU 175 Cb 0.31 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.24 2eia n GLU 175 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2eia n GLY 176 N 1.03 -0.47 3.82 0.62 0.00 -1.13 -4.97 105.19 104.10 2eia n GLY 176 Ca 0.15 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 2eia n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2eia s HIS 177 N -3.76 3.61 0.27 1.61 3.76 -1.26 -4.99 115.29 114.53 2eia s HIS 177 Ca 0.15 1.33 -0.31 0.00 -0.15 0.00 0.00 55.06 56.08 2eia s HIS 177 Cb -0.05 -2.58 -0.12 0.00 1.11 0.00 0.00 32.58 30.94 2eia s HIS 177 CO 0.87 0.32 1.57 -0.35 -0.85 0.00 0.00 174.74 176.30 2eia n PRO 178 N 0.60 2.57 0.00 8.40 -0.04 -1.26 -4.44 135.00 140.83 2eia n PRO 178 Ca -0.02 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2eia n PRO 178 Cb 0.51 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 2eia n PRO 178 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2eia n GLN 179 N 2.33 0.00 -0.00 0.54 7.27 -1.26 -1.05 117.38 125.21 2eia n GLN 179 Ca 0.10 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.12 2eia n GLN 179 Cb 0.35 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.97 2eia n GLN 179 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2eia h GLU 180 N 0.00 -0.21 -0.02 3.69 4.39 -2.00 -0.03 114.58 120.39 2eia h GLU 180 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2eia h GLU 180 Cb 0.00 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2eia h GLU 180 CO 0.00 -0.14 -0.07 0.97 -1.16 0.00 0.00 179.01 178.61 2eia h ILE 181 N -0.21 1.07 0.24 3.13 2.10 -1.43 -1.92 117.51 120.47 2eia h ILE 181 Ca 0.01 -0.30 -0.01 0.00 1.08 0.00 0.00 64.86 65.65 2eia h ILE 181 Cb 0.25 1.13 -0.01 0.00 -1.09 0.00 0.00 36.82 37.10 2eia h ILE 181 CO -0.15 0.09 -0.15 -1.28 -1.08 0.00 0.00 178.15 175.57 2eia h SER 182 N 0.03 -0.39 -0.21 2.19 0.87 -0.55 -0.73 113.55 114.76 2eia h SER 182 Ca 0.01 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2eia h SER 182 Cb 0.15 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2eia h SER 182 CO 0.01 -0.25 0.07 0.50 -0.53 0.00 0.00 176.83 176.63 2eia h LYS 183 N -0.39 0.16 -0.53 2.24 3.64 -0.53 -2.18 116.57 118.99 2eia h LYS 183 Ca -0.02 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2eia h LYS 183 Cb 0.33 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 2eia h LYS 183 CO 0.02 0.11 -0.03 0.35 -2.27 0.00 0.00 179.45 177.63 2eia h PHE 184 N 0.17 -0.08 -0.76 1.91 3.57 -1.10 0.18 116.94 120.82 2eia h PHE 184 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2eia h PHE 184 Cb 0.06 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.88 2eia h PHE 184 CO -0.12 -0.15 0.45 -0.07 -2.23 0.00 0.00 178.31 176.19 2eia h LEU 185 N 0.09 0.93 0.59 0.59 3.38 -0.84 -0.23 115.31 119.83 2eia h LEU 185 Ca 0.27 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2eia h LEU 185 Cb 0.42 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 40.94 2eia h LEU 185 CO -0.47 0.73 -0.29 0.74 0.09 0.00 0.00 178.44 179.25 2eia h THR 186 N 1.05 0.40 0.20 0.22 2.02 -0.54 0.15 112.91 116.41 2eia h THR 186 Ca 0.27 -0.09 0.01 0.00 0.77 0.00 0.00 66.41 67.38 2eia h THR 186 Cb -0.02 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2eia h THR 186 CO -0.05 0.01 -0.32 0.44 0.37 0.00 0.00 175.52 175.97 2eia h ASP 187 N -0.86 -0.91 0.30 4.18 3.32 -0.57 -2.24 116.42 119.64 2eia h ASP 187 Ca -0.08 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2eia h ASP 187 Cb 0.63 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2eia h ASP 187 CO 0.13 -0.43 -0.20 0.74 -1.72 0.00 0.00 179.24 177.77 2eia h THR 188 N -0.60 0.00 -0.57 0.35 2.02 -1.03 -3.29 112.91 109.78 2eia h THR 188 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.28 2eia h THR 188 Cb 0.59 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 2eia h THR 188 CO -0.14 0.00 0.38 -0.07 0.37 0.00 0.00 175.52 176.07 2eia h LEU 189 N -0.47 0.34 -2.38 2.58 3.38 -0.75 -2.59 115.31 115.43 2eia h LEU 189 Ca -0.04 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2eia h LEU 189 Cb 0.38 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2eia h LEU 189 CO 0.03 0.21 0.16 0.71 0.09 0.00 0.00 178.44 179.64 2eia h THR 190 N 0.38 0.30 0.00 0.22 1.35 -1.47 -1.74 112.91 111.95 2eia h THR 190 Ca 0.26 0.00 -0.23 0.00 -0.55 0.00 0.00 66.41 65.89 2eia h THR 190 Cb 0.53 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.76 2eia h THR 190 CO -0.07 0.00 -1.86 2.30 -0.25 0.00 0.00 175.52 175.64 2eia n ILE 191 N -3.50 0.87 0.14 6.82 -5.35 -1.00 -4.34 119.36 113.00 2eia n ILE 191 Ca -0.00 -0.44 0.01 0.00 -0.27 0.00 0.00 62.75 62.05 2eia n ILE 191 Cb 0.26 -0.84 0.13 0.00 -1.74 0.00 0.00 39.64 37.45 2eia n ILE 191 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2eia h GLN 192 N 0.00 0.00 -0.59 6.28 4.20 -1.37 -3.17 115.11 120.46 2eia h GLN 192 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2eia h GLN 192 Cb 1.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2eia h GLN 192 CO -0.01 0.57 0.00 0.09 -0.67 0.00 0.00 178.83 178.81 2eia n ASN 193 N -3.44 3.56 -4.83 1.46 4.13 -0.67 -4.93 115.26 110.54 2eia n ASN 193 Ca 0.00 -1.99 -0.33 0.00 1.68 0.00 0.00 54.58 53.95 2eia n ASN 193 Cb 0.68 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.47 2eia n ASN 193 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2eia s ALA 194 N -1.22 3.07 1.14 5.41 0.00 -1.20 -0.98 121.76 127.98 2eia s ALA 194 Ca 0.44 0.30 -0.14 0.00 0.00 0.00 0.00 51.96 52.56 2eia s ALA 194 Cb 0.23 -3.10 0.23 0.00 0.00 0.00 0.00 23.12 20.48 2eia s ALA 194 CO 0.31 0.04 0.74 0.27 0.00 0.00 0.00 175.76 177.13 2eia n ASN 195 N -0.89 -1.80 -0.08 0.00 0.23 -1.26 -4.51 115.26 106.96 2eia n ASN 195 Ca 0.07 -0.10 -0.09 0.00 -0.53 0.00 0.00 54.58 53.93 2eia n ASN 195 Cb 0.54 -1.19 -0.01 0.00 -2.08 0.00 0.00 39.78 37.03 2eia n ASN 195 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2eia h GLU 196 N -2.45 0.31 -0.86 -3.83 4.57 -1.93 0.60 114.58 110.98 2eia h GLU 196 Ca -0.58 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 57.66 2eia h GLU 196 Cb 1.33 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.79 2eia h GLU 196 CO 0.45 0.20 0.52 1.49 -1.18 0.00 0.00 179.01 180.49 2eia h GLU 197 N 0.32 0.87 0.01 1.92 4.81 -1.97 -2.02 114.58 118.51 2eia h GLU 197 Ca 0.11 -0.05 -0.22 0.00 -0.13 0.00 0.00 59.36 59.07 2eia h GLU 197 Cb 0.02 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.17 2eia h GLU 197 CO -0.07 0.57 -1.08 0.00 -0.73 0.00 0.00 179.01 177.71 2eia n ARG 199 N -3.34 0.89 -0.09 0.00 1.85 0.18 -2.43 116.66 113.72 2eia n ARG 199 Ca -0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.71 2eia n ARG 199 Cb 0.96 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.77 2eia n ARG 199 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2eia n ASN 200 N -0.99 1.84 0.00 2.89 2.85 -0.80 -3.99 115.26 117.06 2eia n ASN 200 Ca 0.21 -0.06 0.08 0.00 -0.11 0.00 0.00 54.58 54.70 2eia n ASN 200 Cb 0.10 0.20 0.43 0.00 1.24 0.00 0.00 39.78 41.75 2eia n ASN 200 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2eia n ALA 201 N -2.88 1.95 0.00 5.20 0.00 -1.01 -1.63 120.51 122.14 2eia n ALA 201 Ca -0.32 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2eia n ALA 201 Cb 0.94 -1.27 0.02 0.00 0.00 0.00 0.00 19.45 19.15 2eia n ALA 201 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2eia n MET 202 N -1.23 1.88 0.09 0.00 2.81 -1.13 -4.71 117.12 114.84 2eia n MET 202 Ca 0.09 -1.31 0.04 0.00 -1.81 0.00 0.00 57.70 54.70 2eia n MET 202 Cb 0.12 -1.05 0.20 0.00 -0.71 0.00 0.00 33.22 31.78 2eia n MET 202 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2eia n ARG 203 N -0.18 0.05 0.00 0.03 0.63 -0.65 0.11 116.66 116.65 2eia n ARG 203 Ca 0.02 0.45 0.10 0.00 -0.92 0.00 0.00 57.85 57.49 2eia n ARG 203 Cb 0.21 -1.92 -0.04 0.00 0.45 0.00 0.00 32.46 31.16 2eia n ARG 203 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2eia n HIS 204 N -1.72 0.00 -3.38 -0.14 8.25 -1.26 -4.97 115.22 112.00 2eia n HIS 204 Ca -0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 2eia n HIS 204 Cb 0.27 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 2eia n HIS 204 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2eia s LEU 205 N -2.52 3.94 0.21 2.41 1.43 0.29 -5.12 118.68 119.32 2eia s LEU 205 Ca 0.13 0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.48 2eia s LEU 205 Cb 0.15 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.29 2eia s LEU 205 CO 0.61 -0.42 -0.17 -0.13 0.23 0.00 0.00 176.35 176.47 2eia s ARG 206 N -4.29 1.39 0.42 1.70 0.52 -1.26 -5.03 118.95 112.39 2eia s ARG 206 Ca 0.43 -1.57 0.21 0.00 -0.52 0.00 0.00 55.73 54.27 2eia s ARG 206 Cb -0.10 -1.32 1.16 0.00 0.52 0.00 0.00 34.95 35.21 2eia s ARG 206 CO 0.34 0.24 1.79 -1.35 0.02 0.00 0.00 175.30 176.34 2eia h PRO 207 N 2.70 0.33 -0.05 3.54 0.11 -1.93 0.19 132.00 136.89 2eia h PRO 207 Ca -0.40 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 2eia h PRO 207 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2eia h PRO 207 CO 0.58 0.22 -0.43 0.93 -0.21 0.00 0.00 178.00 179.10 2eia h GLU 208 N 0.34 0.12 -6.53 1.05 3.07 -1.96 -3.41 114.58 107.26 2eia h GLU 208 Ca 0.57 -0.06 -0.55 0.00 -0.50 0.00 0.00 59.36 58.82 2eia h GLU 208 Cb 1.55 -0.00 0.20 0.00 -0.84 0.00 0.00 28.75 29.66 2eia h GLU 208 CO -0.24 0.53 -0.77 -0.25 -1.40 0.00 0.00 179.01 176.88 2eia n ASP 209 N -4.02 -2.52 -4.71 1.42 10.43 0.68 -4.91 116.55 112.91 2eia n ASP 209 Ca -0.02 0.44 -0.33 0.00 2.57 0.00 0.00 54.79 57.45 2eia n ASP 209 Cb 0.47 -1.10 0.11 0.00 1.84 0.00 0.00 41.12 42.44 2eia n ASP 209 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2eia s THR 210 N -2.09 2.28 0.29 -3.53 -4.23 -1.26 -4.90 115.64 102.19 2eia s THR 210 Ca 0.58 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 61.25 2eia s THR 210 Cb -0.29 -2.59 0.06 0.00 1.34 0.00 0.00 72.50 71.03 2eia s THR 210 CO 0.66 -0.08 1.72 0.25 -0.54 0.00 0.00 174.62 176.63 2eia h LEU 211 N -0.66 0.39 -0.62 4.79 5.85 -1.95 -2.56 115.31 120.55 2eia h LEU 211 Ca -0.47 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.05 2eia h LEU 211 Cb 1.29 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2eia h LEU 211 CO 0.48 0.68 0.15 -0.33 -0.34 0.00 0.00 178.44 179.08 2eia h GLU 212 N 0.33 0.99 0.03 1.25 3.07 -1.98 0.13 114.58 118.40 2eia h GLU 212 Ca 0.04 -0.24 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2eia h GLU 212 Cb 0.71 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 2eia h GLU 212 CO 0.05 0.90 -0.06 0.93 -1.40 0.00 0.00 179.01 179.44 2eia h GLU 213 N 0.90 -0.11 0.39 2.33 4.39 -1.86 0.37 114.58 120.99 2eia h GLU 213 Ca 0.19 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 2eia h GLU 213 Cb 0.36 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2eia h GLU 213 CO 0.00 -0.08 -0.19 0.87 -1.16 0.00 0.00 179.01 178.46 2eia h LYS 214 N -0.12 -0.50 -0.61 2.33 1.57 -1.28 -0.07 116.57 117.89 2eia h LYS 214 Ca 0.01 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 2eia h LYS 214 Cb 0.13 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2eia h LYS 214 CO -0.03 -0.31 0.29 0.52 -0.57 0.00 0.00 179.45 179.35 2eia h MET 215 N -0.56 0.52 -0.59 3.15 2.86 -0.67 -1.55 114.93 118.09 2eia h MET 215 Ca -0.05 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 2eia h MET 215 Cb 0.42 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.94 2eia h MET 215 CO 0.09 0.34 0.39 -0.92 1.06 0.00 0.00 176.91 177.87 2eia h TYR 216 N 0.53 0.73 -0.39 -0.22 3.20 0.02 -2.66 116.97 118.18 2eia h TYR 216 Ca 0.29 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.13 2eia h TYR 216 Cb 0.26 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 2eia h TYR 216 CO -0.12 0.45 0.09 0.00 -1.64 0.00 0.00 178.16 176.94 2eia h ALA 217 N 1.64 0.52 -0.76 1.82 0.00 0.02 -2.63 119.26 119.87 2eia h ALA 217 Ca 0.22 -0.20 -0.46 0.00 0.00 0.00 0.00 54.91 54.48 2eia h ALA 217 Cb -0.06 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 17.36 2eia h ALA 217 CO -0.05 0.21 0.58 0.00 0.00 0.00 0.00 179.25 179.99 2eia h ARG 219 N 1.26 -0.40 -0.02 0.00 2.43 -1.14 -3.44 114.38 113.06 2eia h ARG 219 Ca 0.47 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 2eia h ARG 219 Cb 1.64 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 31.29 2eia h ARG 219 CO 1.03 -0.27 0.00 -3.47 -1.51 0.00 0.00 179.97 175.75