#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg1 s THR 4 N 0.00 3.93 0.22 4.37 -4.23 -1.26 -5.02 115.64 113.64 3mg1 s THR 4 Ca 0.00 -1.66 -0.09 0.00 -1.18 0.00 0.00 61.69 58.76 3mg1 s THR 4 Cb 0.00 -3.12 0.16 0.00 1.34 0.00 0.00 72.50 70.88 3mg1 s THR 4 CO 0.00 -0.36 1.82 0.40 -0.54 0.00 0.00 174.62 175.94 3mg1 h ILE 5 N 1.69 0.99 -0.17 2.99 1.08 -1.94 -1.70 117.51 120.44 3mg1 h ILE 5 Ca -0.46 -0.26 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 3mg1 h ILE 5 Cb 1.24 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.16 3mg1 h ILE 5 CO 0.61 0.14 -0.30 0.44 -0.69 0.00 0.00 178.15 178.34 3mg1 h ASP 6 N 0.75 0.34 0.41 1.72 3.32 -2.01 -2.57 116.42 118.37 3mg1 h ASP 6 Ca 0.31 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.07 3mg1 h ASP 6 Cb 0.17 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3mg1 h ASP 6 CO -0.18 0.64 -0.72 0.77 -1.72 0.00 0.00 179.24 178.03 3mg1 h SER 7 N 0.29 0.32 0.18 6.45 4.64 -1.88 -2.97 113.55 120.59 3mg1 h SER 7 Ca 0.04 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3mg1 h SER 7 Cb 0.69 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3mg1 h SER 7 CO 0.05 0.94 -0.00 0.00 -0.87 0.00 0.00 176.83 176.95 3mg1 h ALA 8 N 1.06 1.01 0.00 5.18 0.00 -0.91 -1.91 119.26 123.69 3mg1 h ALA 8 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3mg1 h ALA 8 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mg1 h ALA 8 CO 0.11 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.40 3mg1 h ARG 9 N 0.00 0.00 -0.19 0.00 3.08 -1.38 -2.43 114.38 113.46 3mg1 h ARG 9 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mg1 h ARG 9 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3mg1 h ARG 9 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3mg1 n GLY 10 N -1.23 0.88 3.76 0.04 0.00 -0.72 -4.96 105.19 102.96 3mg1 n GLY 10 Ca -0.02 -0.59 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 3mg1 n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mg1 s ILE 11 N -1.76 2.89 -1.17 -0.61 -4.36 -0.92 -3.48 121.20 111.79 3mg1 s ILE 11 Ca 0.34 0.57 -0.21 0.00 -0.26 0.00 0.00 60.65 61.09 3mg1 s ILE 11 Cb 0.20 -3.23 -0.00 0.00 1.25 0.00 0.00 42.46 40.68 3mg1 s ILE 11 CO 0.30 -0.11 0.75 0.49 0.24 0.00 0.00 174.94 176.61 3mg1 n PHE 12 N -1.37 -1.83 0.43 1.37 3.72 -1.26 -4.87 117.46 113.65 3mg1 n PHE 12 Ca 0.12 0.43 0.05 0.00 -0.05 0.00 0.00 57.45 58.00 3mg1 n PHE 12 Cb 0.50 -3.40 0.24 0.00 -0.94 0.00 0.00 39.48 35.88 3mg1 n PHE 12 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3mg1 n PRO 13 N -4.30 0.10 0.00 -1.08 -0.04 -1.23 -1.86 135.00 126.59 3mg1 n PRO 13 Ca -0.11 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 3mg1 n PRO 13 Cb 0.60 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 33.05 3mg1 n PRO 13 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3mg1 n ASN 14 N -1.35 1.31 -4.63 3.54 3.02 -1.26 -4.84 115.26 111.04 3mg1 n ASN 14 Ca 0.04 -1.29 -0.43 0.00 -0.03 0.00 0.00 54.58 52.87 3mg1 n ASN 14 Cb 0.09 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3mg1 n ASN 14 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mg1 s THR 15 N -2.16 3.50 -0.56 3.41 2.01 -0.78 -4.94 115.64 116.12 3mg1 s THR 15 Ca 0.34 0.57 -0.20 0.00 0.31 0.00 0.00 61.69 62.71 3mg1 s THR 15 Cb 0.20 -3.48 0.08 0.00 0.01 0.00 0.00 72.50 69.31 3mg1 s THR 15 CO 0.39 -0.18 0.71 -0.22 -0.69 0.00 0.00 174.62 174.63 3mg1 s LEU 16 N 5.33 5.06 0.58 4.42 2.96 -1.26 -5.03 118.68 130.73 3mg1 s LEU 16 Ca 0.78 -1.12 -0.15 0.00 -0.22 0.00 0.00 54.13 53.41 3mg1 s LEU 16 Cb -0.30 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 3mg1 s LEU 16 CO 0.32 -1.06 1.03 0.00 -1.32 0.00 0.00 176.35 175.32 3mg1 s ALA 17 N 2.85 2.90 -1.44 5.97 0.00 -1.26 -1.35 121.76 129.43 3mg1 s ALA 17 Ca 0.15 0.23 -0.13 0.00 0.00 0.00 0.00 51.96 52.21 3mg1 s ALA 17 Cb -0.21 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3mg1 s ALA 17 CO 0.10 -0.62 2.39 0.00 0.00 0.00 0.00 175.76 177.63 3mg1 n ALA 18 N -2.04 5.89 1.32 0.00 0.00 0.34 -4.29 120.51 121.73 3mg1 n ALA 18 Ca 0.07 -3.70 0.11 0.00 0.00 0.00 0.00 53.44 49.92 3mg1 n ALA 18 Cb 0.53 -3.49 0.63 0.00 0.00 0.00 0.00 19.45 17.12 3mg1 n ALA 18 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3mg1 n ASP 19 N 5.51 0.00 0.29 0.00 5.68 -1.26 -1.46 116.55 125.31 3mg1 n ASP 19 Ca 0.58 -0.66 0.14 0.00 -0.50 0.00 0.00 54.79 54.35 3mg1 n ASP 19 Cb 0.34 0.00 0.85 0.00 -1.14 0.00 0.00 41.12 41.17 3mg1 n ASP 19 CO 0.00 0.00 0.00 1.62 -1.33 0.00 0.00 177.20 177.49 3mg1 h VAL 20 N 0.00 0.59 0.68 2.12 3.04 -1.99 -1.97 116.25 118.72 3mg1 h VAL 20 Ca 0.00 -0.12 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3mg1 h VAL 20 Cb 0.00 1.07 0.01 0.00 -2.01 0.00 0.00 31.29 30.36 3mg1 h VAL 20 CO 0.00 0.03 -0.33 0.58 -1.01 0.00 0.00 177.57 176.84 3mg1 h VAL 21 N 0.00 0.18 0.00 1.51 2.07 -1.63 0.70 116.25 119.08 3mg1 h VAL 21 Ca -0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 3mg1 h VAL 21 Cb 0.07 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3mg1 h VAL 21 CO 0.00 0.02 -0.27 1.55 0.02 0.00 0.00 177.57 178.89 3mg1 h PRO 22 N -1.12 0.00 -0.38 1.57 0.13 -1.75 -1.01 132.00 129.43 3mg1 h PRO 22 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3mg1 h PRO 22 Cb 0.73 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 3mg1 h PRO 22 CO 0.15 0.27 0.25 0.00 -0.23 0.00 0.00 178.00 178.45 3mg1 h ALA 23 N 1.73 0.49 -0.47 -0.56 0.00 -1.27 -1.20 119.26 117.98 3mg1 h ALA 23 Ca -0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3mg1 h ALA 23 Cb 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3mg1 h ALA 23 CO 0.04 -0.06 -0.17 1.15 0.00 0.00 0.00 179.25 180.21 3mg1 h THR 24 N 0.52 1.27 -0.89 0.00 2.02 -0.25 -2.11 112.91 113.48 3mg1 h THR 24 Ca 0.14 -1.31 0.01 0.00 0.77 0.00 0.00 66.41 66.01 3mg1 h THR 24 Cb -0.06 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3mg1 h THR 24 CO -0.03 0.45 0.58 0.40 0.37 0.00 0.00 175.52 177.29 3mg1 h ILE 25 N 0.78 1.23 -0.74 3.11 1.08 -1.08 0.46 117.51 122.34 3mg1 h ILE 25 Ca 0.11 -0.44 -0.03 0.00 -0.39 0.00 0.00 64.86 64.10 3mg1 h ILE 25 Cb 0.73 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 3mg1 h ILE 25 CO 0.06 0.23 0.34 0.00 -0.69 0.00 0.00 178.15 178.09 3mg1 h ALA 26 N 1.32 0.96 -0.37 1.87 0.00 -0.94 0.37 119.26 122.47 3mg1 h ALA 26 Ca 0.32 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3mg1 h ALA 26 Cb -0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 3mg1 h ALA 26 CO -0.07 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.78 3mg1 h ARG 27 N 1.05 0.62 -0.86 0.00 3.08 -0.90 -2.90 114.38 114.47 3mg1 h ARG 27 Ca 0.25 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.20 3mg1 h ARG 27 Cb 0.14 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 3mg1 h ARG 27 CO -0.03 0.69 0.54 0.35 -1.07 0.00 0.00 179.97 180.44 3mg1 h PHE 28 N 0.45 0.99 0.00 3.04 3.57 -0.56 -2.28 116.94 122.15 3mg1 h PHE 28 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3mg1 h PHE 28 Cb 0.37 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3mg1 h PHE 28 CO 0.03 0.51 0.00 0.77 -2.23 0.00 0.00 178.31 177.38 3mg1 h SER 29 N 0.98 0.00 1.75 0.41 0.02 -0.72 -1.74 113.55 114.25 3mg1 h SER 29 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3mg1 h SER 29 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3mg1 h SER 29 CO -0.17 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.08 3mg1 h GLN 30 N 0.00 0.00 -7.21 3.45 1.08 -1.34 -3.47 115.11 107.62 3mg1 h GLN 30 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3mg1 h GLN 30 Cb 0.28 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 27.79 3mg1 h GLN 30 CO 0.00 0.00 0.38 -0.51 -0.95 0.00 0.00 178.83 177.75 3mg1 s LEU 31 N -5.76 3.44 0.41 1.46 1.43 -0.66 -5.00 118.68 114.00 3mg1 s LEU 31 Ca 0.07 1.85 -0.25 0.00 -1.03 0.00 0.00 54.13 54.78 3mg1 s LEU 31 Cb 0.07 -4.54 -0.10 0.00 0.03 0.00 0.00 46.19 41.65 3mg1 s LEU 31 CO 0.63 -1.33 1.16 -3.20 0.23 0.00 0.00 176.35 173.85 3mg1 n ASN 32 N -2.23 2.02 -0.25 2.29 5.15 -1.26 -4.77 115.26 116.20 3mg1 n ASN 32 Ca 0.09 1.08 -0.02 0.00 -0.60 0.00 0.00 54.58 55.13 3mg1 n ASN 32 Cb 0.53 -1.44 0.09 0.00 -0.53 0.00 0.00 39.78 38.43 3mg1 n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mg1 h ALA 33 N 1.87 0.94 -0.22 5.20 0.00 -1.93 -0.05 119.26 125.07 3mg1 h ALA 33 Ca -0.46 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 3mg1 h ALA 33 Cb 1.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3mg1 h ALA 33 CO 0.59 0.17 -0.11 1.49 0.00 0.00 0.00 179.25 181.39 3mg1 h GLU 34 N 0.82 0.36 -0.50 0.00 4.57 -1.94 -0.37 114.58 117.52 3mg1 h GLU 34 Ca 0.30 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 3mg1 h GLU 34 Cb 0.08 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3mg1 h GLU 34 CO -0.14 0.48 0.06 -0.44 -1.18 0.00 0.00 179.01 177.79 3mg1 h ASP 35 N 0.34 0.82 -0.39 1.04 3.45 -1.62 -1.07 116.42 118.99 3mg1 h ASP 35 Ca 0.07 -0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.26 3mg1 h ASP 35 Cb 0.41 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3mg1 h ASP 35 CO 0.02 0.89 0.25 1.56 -1.57 0.00 0.00 179.24 180.39 3mg1 h GLN 36 N 0.72 0.52 -0.42 3.56 4.20 -0.22 0.39 115.11 123.86 3mg1 h GLN 36 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3mg1 h GLN 36 Cb 0.43 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3mg1 h GLN 36 CO 0.01 0.37 0.08 -0.07 -0.67 0.00 0.00 178.83 178.56 3mg1 h LEU 37 N 0.52 0.66 -0.50 1.46 3.38 -0.98 -2.06 115.31 117.79 3mg1 h LEU 37 Ca 0.14 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3mg1 h LEU 37 Cb -0.03 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3mg1 h LEU 37 CO -0.03 0.73 0.01 0.00 0.09 0.00 0.00 178.44 179.25 3mg1 h ALA 38 N 0.95 0.67 -0.30 1.53 0.00 -1.06 -0.96 119.26 120.09 3mg1 h ALA 38 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3mg1 h ALA 38 Cb 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3mg1 h ALA 38 CO 0.00 0.47 0.14 1.25 0.00 0.00 0.00 179.25 181.12 3mg1 h LEU 39 N 0.74 0.20 -0.61 0.00 6.46 -0.84 0.48 115.31 121.75 3mg1 h LEU 39 Ca 0.14 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.82 3mg1 h LEU 39 Cb 0.50 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3mg1 h LEU 39 CO 0.02 0.16 0.01 0.40 -0.62 0.00 0.00 178.44 178.40 3mg1 h ILE 40 N 0.30 1.27 -0.37 4.05 2.04 -1.25 0.17 117.51 123.71 3mg1 h ILE 40 Ca 0.12 -1.15 0.06 0.00 1.00 0.00 0.00 64.86 64.90 3mg1 h ILE 40 Cb 0.05 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3mg1 h ILE 40 CO -0.09 0.42 0.05 -0.25 0.00 0.00 0.00 178.15 178.27 3mg1 h TRP 41 N 0.97 0.07 -0.33 1.37 2.91 -0.67 0.21 115.95 120.48 3mg1 h TRP 41 Ca 0.17 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 3mg1 h TRP 41 Cb 0.55 0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.21 3mg1 h TRP 41 CO 0.04 -0.01 0.18 0.74 -1.03 0.00 0.00 178.44 178.35 3mg1 h PHE 42 N 0.16 0.47 -0.44 2.65 0.04 -0.52 -0.76 116.94 118.55 3mg1 h PHE 42 Ca 0.18 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 3mg1 h PHE 42 Cb 0.23 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3mg1 h PHE 42 CO -0.21 0.39 0.20 0.00 -0.60 0.00 0.00 178.31 178.09 3mg1 h ALA 43 N 1.04 0.57 -0.04 2.45 0.00 -0.52 -1.88 119.26 120.88 3mg1 h ALA 43 Ca 0.12 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3mg1 h ALA 43 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3mg1 h ALA 43 CO -0.02 0.14 -0.03 -0.92 0.00 0.00 0.00 179.25 178.42 3mg1 h TYR 44 N 0.57 -0.08 -0.28 0.00 3.20 -0.49 0.72 116.97 120.61 3mg1 h TYR 44 Ca 0.15 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 3mg1 h TYR 44 Cb 0.13 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3mg1 h TYR 44 CO -0.01 -0.05 0.16 1.25 -1.64 0.00 0.00 178.16 177.87 3mg1 h LEU 45 N -0.04 0.35 -0.42 2.82 6.46 -1.00 -0.93 115.31 122.55 3mg1 h LEU 45 Ca 0.03 -0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.62 3mg1 h LEU 45 Cb 0.08 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.91 3mg1 h LEU 45 CO -0.06 0.32 -0.09 -0.33 -0.62 0.00 0.00 178.44 177.65 3mg1 h GLU 46 N 0.35 0.81 -0.45 1.25 3.07 -1.22 -2.98 114.58 115.41 3mg1 h GLU 46 Ca 0.10 -0.31 -0.04 0.00 -0.50 0.00 0.00 59.36 58.62 3mg1 h GLU 46 Cb 0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 3mg1 h GLU 46 CO -0.02 0.93 0.12 0.52 -1.40 0.00 0.00 179.01 179.15 3mg1 h MET 47 N 0.63 0.66 0.00 2.33 2.86 -0.73 -2.60 114.93 118.08 3mg1 h MET 47 Ca 0.11 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3mg1 h MET 47 Cb 0.62 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3mg1 h MET 47 CO 0.04 0.60 0.00 0.41 1.06 0.00 0.00 176.91 179.02 3mg1 n GLY 48 N -0.99 -0.73 0.21 8.32 0.00 -0.36 -1.42 105.19 110.21 3mg1 n GLY 48 Ca 0.03 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.11 3mg1 n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg1 h LYS 49 N 0.00 0.00 0.00 1.61 1.57 -1.50 -3.36 116.57 114.89 3mg1 h LYS 49 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3mg1 h LYS 49 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mg1 h LYS 49 CO 0.00 0.00 -0.05 0.25 -0.57 0.00 0.00 179.45 179.08 3mg1 n THR 50 N -2.99 0.00 -3.70 -0.16 -2.24 -0.95 -5.03 114.28 99.20 3mg1 n THR 50 Ca 0.04 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 3mg1 n THR 50 Cb 0.49 0.92 -0.17 0.00 -2.10 0.00 0.00 70.33 69.47 3mg1 n THR 50 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3mg1 s LEU 51 N -0.99 1.01 -0.10 3.22 0.20 -0.51 -5.12 118.68 116.39 3mg1 s LEU 51 Ca 0.00 -0.81 -0.20 0.00 0.69 0.00 0.00 54.13 53.81 3mg1 s LEU 51 Cb 0.00 -0.52 -0.04 0.00 -0.43 0.00 0.00 46.19 45.20 3mg1 s LEU 51 CO 0.00 -0.32 0.55 0.42 -0.29 0.00 0.00 176.35 176.71 3mg1 s THR 52 N 1.92 5.13 0.11 3.68 -4.23 -1.26 -4.09 115.64 116.90 3mg1 s THR 52 Ca 0.00 1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 61.34 3mg1 s THR 52 Cb -0.17 -3.89 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 3mg1 s THR 52 CO -0.09 0.31 0.97 -0.63 -0.54 0.00 0.00 174.62 174.63 3mg1 s ILE 53 N 0.65 4.48 0.57 2.99 1.01 -1.26 -4.76 121.20 124.88 3mg1 s ILE 53 Ca 0.30 2.06 -0.20 0.00 0.00 0.00 0.00 60.65 62.81 3mg1 s ILE 53 Cb -0.16 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3mg1 s ILE 53 CO 0.13 0.31 1.25 0.00 0.00 0.00 0.00 174.94 176.63 3mg1 s ALA 54 N 0.00 2.64 0.38 9.38 0.00 0.23 -4.97 121.76 129.41 3mg1 s ALA 54 Ca 0.47 1.10 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 3mg1 s ALA 54 Cb -0.23 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.31 3mg1 s ALA 54 CO 0.30 -1.20 1.28 0.00 0.00 0.00 0.00 175.76 176.15 3mg1 s ALA 55 N -1.50 3.33 0.53 0.00 0.00 -1.26 -4.96 121.76 117.90 3mg1 s ALA 55 Ca 0.75 1.20 -0.22 0.00 0.00 0.00 0.00 51.96 53.70 3mg1 s ALA 55 Cb -0.33 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.26 3mg1 s ALA 55 CO 0.37 -0.72 1.28 -2.30 0.00 0.00 0.00 175.76 174.39 3mg1 n PRO 56 N 0.36 1.60 -1.46 0.00 -0.02 -1.26 -4.97 135.00 129.25 3mg1 n PRO 56 Ca 0.02 0.59 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 3mg1 n PRO 56 Cb 0.43 -2.47 0.08 0.00 -0.02 0.00 0.00 33.50 31.52 3mg1 n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3mg1 s GLY 57 N -0.90 2.09 0.18 -1.23 0.00 -1.26 -4.84 107.32 101.36 3mg1 s GLY 57 Ca 0.70 0.61 -0.13 0.00 0.00 0.00 0.00 44.72 45.91 3mg1 s GLY 57 CO 0.50 0.99 1.82 0.00 0.00 0.00 0.00 173.10 176.41 3mg1 h ALA 58 N -0.46 0.70 -0.69 3.20 0.00 -1.99 -1.32 119.26 118.68 3mg1 h ALA 58 Ca -0.46 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3mg1 h ALA 58 Cb 1.26 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3mg1 h ALA 58 CO 0.51 0.04 0.46 0.00 0.00 0.00 0.00 179.25 180.25 3mg1 h ALA 59 N 1.24 0.88 -0.30 0.00 0.00 -2.00 -1.43 119.26 117.66 3mg1 h ALA 59 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mg1 h ALA 59 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3mg1 h ALA 59 CO -0.10 0.29 0.16 1.03 0.00 0.00 0.00 179.25 180.64 3mg1 h SER 60 N 0.93 0.37 -0.72 0.00 0.87 -1.82 -2.23 113.55 110.95 3mg1 h SER 60 Ca 0.26 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3mg1 h SER 60 Cb -0.10 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 3mg1 h SER 60 CO -0.06 0.35 0.45 0.24 -0.53 0.00 0.00 176.83 177.28 3mg1 h MET 61 N 0.36 0.98 -0.36 2.24 2.86 -0.83 -2.10 114.93 118.08 3mg1 h MET 61 Ca 0.10 -0.08 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 3mg1 h MET 61 Cb 0.06 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 3mg1 h MET 61 CO -0.02 0.68 -0.24 0.37 1.06 0.00 0.00 176.91 178.76 3mg1 h GLN 62 N 1.00 0.72 0.00 1.72 -0.00 -0.98 -1.36 115.11 116.21 3mg1 h GLN 62 Ca 0.26 -0.29 -0.07 0.00 -0.00 0.00 0.00 58.65 58.55 3mg1 h GLN 62 Cb -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 3mg1 h GLN 62 CO -0.05 0.89 -0.33 -0.07 0.00 0.00 0.00 178.83 179.28 3mg1 h LEU 63 N 0.63 0.00 -1.04 -2.39 3.38 -0.79 -2.84 115.31 112.26 3mg1 h LEU 63 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mg1 h LEU 63 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3mg1 h LEU 63 CO 0.06 0.33 -0.31 0.00 0.09 0.00 0.00 178.44 178.61 3mg1 n ALA 64 N -2.41 3.18 -0.09 1.53 0.00 -0.93 -4.61 120.51 117.19 3mg1 n ALA 64 Ca -0.02 -0.58 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 3mg1 n ALA 64 Cb 0.39 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 3mg1 n ALA 64 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mg1 h GLU 65 N 2.53 0.34 -0.45 0.00 4.81 -1.00 -1.32 114.58 119.50 3mg1 h GLU 65 Ca 0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3mg1 h GLU 65 Cb 0.72 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 3mg1 h GLU 65 CO 0.00 0.22 0.28 -0.91 -0.73 0.00 0.00 179.01 177.87 3mg1 h ASN 66 N 0.35 0.47 -0.58 1.04 2.35 -1.81 0.83 115.58 118.22 3mg1 h ASN 66 Ca 0.13 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3mg1 h ASN 66 Cb 0.02 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3mg1 h ASN 66 CO -0.07 0.34 0.16 0.00 -1.65 0.00 0.00 177.43 176.21 3mg1 h ALA 67 N 1.18 0.76 -0.77 -0.83 0.00 -1.80 -1.51 119.26 116.30 3mg1 h ALA 67 Ca 0.17 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3mg1 h ALA 67 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3mg1 h ALA 67 CO -0.06 0.45 0.27 -0.07 0.00 0.00 0.00 179.25 179.84 3mg1 h LEU 68 N 0.83 1.10 -0.68 0.00 3.38 -0.89 -2.18 115.31 116.87 3mg1 h LEU 68 Ca 0.19 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3mg1 h LEU 68 Cb 0.31 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3mg1 h LEU 68 CO -0.00 1.00 0.16 0.11 0.09 0.00 0.00 178.44 179.79 3mg1 h LYS 69 N 1.14 1.09 -0.49 1.13 1.57 -0.59 -1.50 116.57 118.92 3mg1 h LYS 69 Ca 0.25 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3mg1 h LYS 69 Cb 0.27 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3mg1 h LYS 69 CO -0.01 0.97 0.31 0.93 -0.57 0.00 0.00 179.45 181.08 3mg1 h GLU 70 N 1.02 0.65 -0.65 3.15 5.08 -1.04 -1.77 114.58 121.01 3mg1 h GLU 70 Ca 0.21 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 3mg1 h GLU 70 Cb 0.38 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3mg1 h GLU 70 CO 0.00 0.45 0.10 0.82 -1.00 0.00 0.00 179.01 179.38 3mg1 h ILE 71 N 0.65 1.26 0.00 3.13 2.04 -1.25 -2.85 117.51 120.50 3mg1 h ILE 71 Ca 0.18 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3mg1 h ILE 71 Cb -0.04 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3mg1 h ILE 71 CO -0.04 0.39 -0.17 1.56 0.00 0.00 0.00 178.15 179.90 3mg1 h GLN 72 N 1.01 0.00 0.00 2.37 4.20 -0.88 -2.21 115.11 119.60 3mg1 h GLN 72 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3mg1 h GLN 72 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3mg1 h GLN 72 CO 0.01 0.17 -0.11 0.00 -0.67 0.00 0.00 178.83 178.23 3mg1 h ALA 73 N 1.83 0.93 -2.38 3.87 0.00 -1.09 -3.46 119.26 118.96 3mg1 h ALA 73 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3mg1 h ALA 73 Cb 0.41 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.27 3mg1 h ALA 73 CO 0.02 0.00 0.38 -1.64 0.00 0.00 0.00 179.25 178.01 3mg1 s MET 74 N -3.13 3.24 0.95 0.00 -1.94 -0.83 -5.04 119.30 112.55 3mg1 s MET 74 Ca 0.09 1.27 -0.11 0.00 -1.71 0.00 0.00 55.69 55.23 3mg1 s MET 74 Cb 0.12 -2.02 0.16 0.00 2.01 0.00 0.00 34.83 35.10 3mg1 s MET 74 CO 0.63 -0.89 1.09 0.20 -0.01 0.00 0.00 175.02 176.04 3mg1 s GLY 75 N -2.65 1.62 0.24 -0.03 0.00 -1.26 -4.75 107.32 100.48 3mg1 s GLY 75 Ca 0.65 0.08 -0.07 0.00 0.00 0.00 0.00 44.72 45.38 3mg1 s GLY 75 CO 0.36 0.59 1.89 -0.56 0.00 0.00 0.00 173.10 175.39 3mg1 h PRO 76 N -1.83 1.11 -0.89 2.90 0.13 -1.96 -0.84 132.00 130.61 3mg1 h PRO 76 Ca -0.50 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.54 3mg1 h PRO 76 Cb 1.29 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 3mg1 h PRO 76 CO 0.51 0.73 0.48 -0.07 -0.23 0.00 0.00 178.00 179.42 3mg1 h LEU 77 N 1.14 1.12 -0.50 1.56 3.38 -2.00 -1.53 115.31 118.48 3mg1 h LEU 77 Ca 0.35 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 3mg1 h LEU 77 Cb -0.03 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3mg1 h LEU 77 CO -0.11 0.91 -0.65 1.56 0.09 0.00 0.00 178.44 180.24 3mg1 h GLN 78 N 1.25 0.40 -0.31 1.13 7.50 -1.77 -1.72 115.11 121.59 3mg1 h GLN 78 Ca 0.31 -0.29 -0.01 0.00 0.50 0.00 0.00 58.65 59.16 3mg1 h GLN 78 Cb 0.04 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 3mg1 h GLN 78 CO -0.05 0.91 0.14 1.96 -1.50 0.00 0.00 178.83 180.30 3mg1 h GLN 79 N 0.29 0.45 -0.64 1.46 4.20 -0.78 0.23 115.11 120.32 3mg1 h GLN 79 Ca -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 3mg1 h GLN 79 Cb 1.19 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 3mg1 h GLN 79 CO 0.11 0.42 0.32 1.15 -0.67 0.00 0.00 178.83 180.16 3mg1 h THR 80 N 0.36 1.22 -0.73 -0.54 2.02 -1.21 -2.10 112.91 111.92 3mg1 h THR 80 Ca 0.11 -0.59 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3mg1 h THR 80 Cb 0.13 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 3mg1 h THR 80 CO -0.01 0.25 0.42 -0.61 0.37 0.00 0.00 175.52 175.93 3mg1 h GLN 81 N 0.88 1.01 -0.70 6.66 5.75 -1.07 -0.79 115.11 126.86 3mg1 h GLN 81 Ca 0.22 -0.11 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3mg1 h GLN 81 Cb 0.10 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3mg1 h GLN 81 CO -0.03 0.74 0.44 0.00 -2.65 0.00 0.00 178.83 177.34 3mg1 h ALA 82 N 1.22 0.90 -0.37 3.38 0.00 -0.56 0.15 119.26 123.98 3mg1 h ALA 82 Ca 0.26 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3mg1 h ALA 82 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3mg1 h ALA 82 CO -0.04 0.24 -0.30 0.52 0.00 0.00 0.00 179.25 179.67 3mg1 h MET 83 N 0.88 0.79 -0.56 0.00 2.86 -1.05 -2.39 114.93 115.46 3mg1 h MET 83 Ca 0.27 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3mg1 h MET 83 Cb -0.03 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3mg1 h MET 83 CO -0.09 0.99 0.07 0.00 1.06 0.00 0.00 176.91 178.93 3mg1 h ASP 85 N 0.86 0.38 -0.35 0.00 3.32 -0.42 0.73 116.42 120.93 3mg1 h ASP 85 Ca 0.17 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3mg1 h ASP 85 Cb 0.41 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3mg1 h ASP 85 CO 0.01 0.26 0.21 -0.07 -1.72 0.00 0.00 179.24 177.93 3mg1 h LEU 86 N 0.51 0.42 -0.98 1.55 3.38 -1.12 -1.22 115.31 117.86 3mg1 h LEU 86 Ca 0.23 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3mg1 h LEU 86 Cb 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3mg1 h LEU 86 CO -0.15 0.36 -0.11 0.00 0.09 0.00 0.00 178.44 178.62 3mg1 h ALA 87 N 1.08 1.15 -0.00 1.53 0.00 -0.84 -0.56 119.26 121.62 3mg1 h ALA 87 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3mg1 h ALA 87 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3mg1 h ALA 87 CO -0.02 0.54 -0.00 0.09 0.00 0.00 0.00 179.25 179.86 3mg1 n ASN 88 N -4.19 0.00 -3.62 0.00 3.02 0.20 -4.87 115.26 105.81 3mg1 n ASN 88 Ca 0.01 0.13 -0.25 0.00 -0.03 0.00 0.00 54.58 54.44 3mg1 n ASN 88 Cb 0.34 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.20 3mg1 n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3mg1 n ARG 89 N -1.38 -7.41 -1.83 3.52 1.74 -0.69 -4.96 116.66 105.65 3mg1 n ARG 89 Ca 0.11 0.79 -0.33 0.00 -0.77 0.00 0.00 57.85 57.65 3mg1 n ARG 89 Cb 0.28 -5.81 0.04 0.00 -1.02 0.00 0.00 32.46 25.95 3mg1 n ARG 89 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mg1 s ALA 90 N -3.31 2.49 -0.73 7.54 0.00 -0.55 -4.64 121.76 122.57 3mg1 s ALA 90 Ca 0.59 0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.94 3mg1 s ALA 90 Cb -0.27 -3.34 0.06 0.00 0.00 0.00 0.00 23.12 19.58 3mg1 s ALA 90 CO 0.73 -1.21 1.10 0.34 0.00 0.00 0.00 175.76 176.71 3mg1 s ASP 91 N -2.39 6.24 0.15 0.00 -1.08 -1.26 -4.36 116.67 113.97 3mg1 s ASP 91 Ca 0.69 -0.98 0.01 0.00 -0.52 0.00 0.00 52.55 51.74 3mg1 s ASP 91 Cb -0.22 -2.47 -0.04 0.00 -1.46 0.00 0.00 42.92 38.73 3mg1 s ASP 91 CO 0.39 -1.52 0.02 0.42 0.52 0.00 0.00 175.17 175.01 3mg1 s THR 92 N 4.44 0.42 0.20 1.71 -4.23 -1.26 -5.02 115.64 111.89 3mg1 s THR 92 Ca 0.28 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 3mg1 s THR 92 Cb -0.12 -2.07 0.11 0.00 1.34 0.00 0.00 72.50 71.77 3mg1 s THR 92 CO 0.08 -0.49 1.81 -0.65 -0.54 0.00 0.00 174.62 174.83 3mg1 h PRO 93 N 2.78 0.65 -0.71 3.99 0.11 -1.99 -0.14 132.00 136.69 3mg1 h PRO 93 Ca -0.36 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.72 3mg1 h PRO 93 Cb 1.20 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3mg1 h PRO 93 CO 0.61 0.43 0.47 1.25 -0.21 0.00 0.00 178.00 180.55 3mg1 h LEU 94 N 0.67 0.81 -0.95 2.35 5.85 -1.97 -0.46 115.31 121.61 3mg1 h LEU 94 Ca 0.26 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3mg1 h LEU 94 Cb 0.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3mg1 h LEU 94 CO -0.14 0.58 -0.23 0.00 -0.34 0.00 0.00 178.44 178.31 3mg1 h ARG 96 N 0.44 0.87 -0.05 0.00 3.08 -0.68 -1.02 114.38 117.03 3mg1 h ARG 96 Ca 0.07 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.67 3mg1 h ARG 96 Cb 0.64 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 3mg1 h ARG 96 CO 0.05 1.09 0.02 1.15 -1.07 0.00 0.00 179.97 181.21 3mg1 h THR 97 N 0.67 1.08 -0.62 2.04 2.02 -0.82 -2.61 112.91 114.66 3mg1 h THR 97 Ca 0.06 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.12 3mg1 h THR 97 Cb 0.91 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 68.39 3mg1 h THR 97 CO 0.08 0.06 0.25 0.22 0.37 0.00 0.00 175.52 176.50 3mg1 h TYR 98 N -0.01 0.43 0.00 3.16 3.20 -0.95 -1.58 116.97 121.21 3mg1 h TYR 98 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 3mg1 h TYR 98 Cb 0.08 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3mg1 h TYR 98 CO -0.05 0.12 -0.09 0.00 -1.64 0.00 0.00 178.16 176.50 3mg1 h ALA 99 N 1.42 1.26 0.00 1.82 0.00 -0.99 -1.75 119.26 121.01 3mg1 h ALA 99 Ca 0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3mg1 h ALA 99 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3mg1 h ALA 99 CO -0.30 0.11 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 3mg1 n SER 100 N -3.57 0.18 -4.84 0.00 3.41 -0.60 -4.72 113.62 103.48 3mg1 n SER 100 Ca -0.02 0.52 -0.33 0.00 -0.26 0.00 0.00 58.87 58.78 3mg1 n SER 100 Cb 0.21 -0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 3mg1 n SER 100 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3mg1 s TRP 101 N -3.04 3.46 0.85 7.33 0.51 -0.66 0.96 118.94 128.35 3mg1 s TRP 101 Ca 0.11 1.21 -0.10 0.00 -2.12 0.00 0.00 56.10 55.20 3mg1 s TRP 101 Cb 0.15 -2.51 0.10 0.00 -0.81 0.00 0.00 33.47 30.40 3mg1 s TRP 101 CO 0.47 0.19 1.11 -1.54 -0.51 0.00 0.00 176.95 176.67 3mg1 s SER 102 N -2.10 3.72 0.25 2.95 1.04 0.12 -4.80 113.70 114.88 3mg1 s SER 102 Ca 0.50 1.94 -0.03 0.00 0.48 0.00 0.00 55.95 58.84 3mg1 s SER 102 Cb -0.12 -2.51 0.44 0.00 0.10 0.00 0.00 66.02 63.93 3mg1 s SER 102 CO 0.19 -2.55 1.79 -0.65 0.98 0.00 0.00 173.24 173.00 3mg1 h PRO 103 N -1.49 0.70 -0.54 4.02 0.11 -1.91 -2.04 132.00 130.84 3mg1 h PRO 103 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3mg1 h PRO 103 Cb 1.25 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3mg1 h PRO 103 CO 0.48 0.46 0.31 -0.91 -0.21 0.00 0.00 178.00 178.12 3mg1 h ASN 104 N 0.72 0.64 -0.29 -2.05 2.35 -1.92 0.49 115.58 115.53 3mg1 h ASN 104 Ca 0.42 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.95 3mg1 h ASN 104 Cb 0.47 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3mg1 h ASN 104 CO -0.29 0.51 -0.53 0.40 -1.65 0.00 0.00 177.43 175.87 3mg1 h ILE 105 N 0.74 1.27 -0.49 2.81 2.04 -1.74 -1.28 117.51 120.86 3mg1 h ILE 105 Ca 0.19 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 3mg1 h ILE 105 Cb -0.00 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3mg1 h ILE 105 CO -0.03 0.56 0.29 0.11 0.00 0.00 0.00 178.15 179.08 3mg1 h LYS 106 N 0.68 0.66 -0.71 2.37 1.57 -0.98 -1.05 116.57 119.11 3mg1 h LYS 106 Ca 0.02 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3mg1 h LYS 106 Cb 1.14 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 3mg1 h LYS 106 CO 0.12 0.49 0.33 -0.07 -0.57 0.00 0.00 179.45 179.75 3mg1 h LEU 107 N 0.65 0.95 -0.96 2.94 3.38 -0.78 -2.38 115.31 119.10 3mg1 h LEU 107 Ca 0.17 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3mg1 h LEU 107 Cb -0.00 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3mg1 h LEU 107 CO -0.03 0.83 -0.27 1.23 0.09 0.00 0.00 178.44 180.28 3mg1 h GLY 108 N 1.00 0.46 0.94 0.83 0.00 -1.00 -0.25 103.07 105.05 3mg1 h GLY 108 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3mg1 h GLY 108 CO -0.03 0.35 -0.06 -2.75 0.00 0.00 0.00 176.54 174.05 3mg1 h PHE 109 N 0.37 -0.16 -0.20 5.60 3.57 -0.90 -1.92 116.94 123.30 3mg1 h PHE 109 Ca 0.05 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 3mg1 h PHE 109 Cb 0.68 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3mg1 h PHE 109 CO 0.02 -0.10 -0.34 -1.49 -2.23 0.00 0.00 178.31 174.17 3mg1 h TRP 110 N -0.15 0.49 -0.60 0.41 4.06 -1.19 -1.68 115.95 117.28 3mg1 h TRP 110 Ca -0.00 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 60.91 3mg1 h TRP 110 Cb 0.14 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.12 3mg1 h TRP 110 CO -0.09 0.71 0.24 -0.92 -3.56 0.00 0.00 178.44 174.82 3mg1 h TYR 111 N 0.36 0.42 -0.23 0.49 3.20 -0.87 0.64 116.97 120.98 3mg1 h TYR 111 Ca 0.04 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.80 3mg1 h TYR 111 Cb 0.77 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3mg1 h TYR 111 CO 0.02 0.12 -0.39 -0.09 -1.64 0.00 0.00 178.16 176.18 3mg1 h ARG 112 N 0.43 0.67 -0.72 1.82 9.65 -0.99 -2.39 114.38 122.85 3mg1 h ARG 112 Ca 0.30 -0.42 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 3mg1 h ARG 112 Cb 0.34 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 3mg1 h ARG 112 CO -0.28 1.03 0.47 -0.07 2.80 0.00 0.00 179.97 183.92 3mg1 h LEU 113 N 0.38 0.83 -0.42 3.80 3.38 -1.05 -0.90 115.31 121.33 3mg1 h LEU 113 Ca 0.02 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3mg1 h LEU 113 Cb 0.99 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3mg1 h LEU 113 CO 0.09 0.61 0.27 1.23 0.09 0.00 0.00 178.44 180.73 3mg1 h GLY 114 N 0.99 0.59 1.02 0.83 0.00 -0.69 0.15 103.07 105.95 3mg1 h GLY 114 Ca 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3mg1 h GLY 114 CO -0.06 0.19 0.42 0.83 0.00 0.00 0.00 176.54 177.93 3mg1 h GLU 115 N 0.54 1.13 -0.17 4.80 5.08 -0.87 -1.67 114.58 123.41 3mg1 h GLU 115 Ca 0.16 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 3mg1 h GLU 115 Cb -0.03 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 3mg1 h GLU 115 CO -0.05 0.84 -0.52 -0.07 -1.00 0.00 0.00 179.01 178.21 3mg1 h LEU 116 N 1.12 0.53 -0.47 1.33 3.38 -0.58 -2.03 115.31 118.58 3mg1 h LEU 116 Ca 0.28 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3mg1 h LEU 116 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3mg1 h LEU 116 CO -0.04 0.95 0.03 0.24 0.09 0.00 0.00 178.44 179.71 3mg1 h MET 117 N 0.37 0.81 -0.93 1.13 2.86 -0.50 -0.10 114.93 118.57 3mg1 h MET 117 Ca 0.01 -0.24 0.07 0.00 -2.06 0.00 0.00 59.70 57.48 3mg1 h MET 117 Cb 1.04 -0.08 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 3mg1 h MET 117 CO 0.09 0.84 0.60 0.93 1.06 0.00 0.00 176.91 180.44 3mg1 h GLU 118 N 0.67 1.00 0.00 1.72 5.08 -1.16 -2.13 114.58 119.76 3mg1 h GLU 118 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3mg1 h GLU 118 Cb 0.46 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3mg1 h GLU 118 CO 0.02 0.66 -0.17 1.04 -1.00 0.00 0.00 179.01 179.56 3mg1 n GLN 119 N -4.51 0.10 -0.64 2.33 6.02 -0.78 -4.93 117.38 114.98 3mg1 n GLN 119 Ca 0.15 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 3mg1 n GLN 119 Cb 0.22 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.88 3mg1 n GLN 119 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mg1 n GLY 120 N 1.43 0.66 0.03 1.08 0.00 -0.28 -4.94 105.19 103.17 3mg1 n GLY 120 Ca 0.06 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.98 3mg1 n GLY 120 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mg1 n PHE 121 N -2.64 0.23 -4.53 1.61 3.72 -0.21 -4.80 117.46 110.85 3mg1 n PHE 121 Ca 0.00 0.07 -0.22 0.00 -0.05 0.00 0.00 57.45 57.25 3mg1 n PHE 121 Cb 0.00 -0.40 -0.14 0.00 -0.94 0.00 0.00 39.48 38.00 3mg1 n PHE 121 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mg1 s VAL 122 N -3.15 1.19 0.03 -4.37 1.01 -1.15 -4.95 120.40 109.00 3mg1 s VAL 122 Ca 0.05 -0.86 -0.34 0.00 0.00 0.00 0.00 61.98 60.84 3mg1 s VAL 122 Cb 0.15 -1.04 -0.13 0.00 0.00 0.00 0.00 36.38 35.36 3mg1 s VAL 122 CO 0.78 0.17 1.72 0.00 0.00 0.00 0.00 175.10 177.77 3mg1 n ALA 123 N 2.26 0.99 -1.95 5.51 0.00 -1.26 -4.22 120.51 121.84 3mg1 n ALA 123 Ca -0.16 0.37 -0.26 0.00 0.00 0.00 0.00 53.44 53.39 3mg1 n ALA 123 Cb 0.55 -2.41 0.10 0.00 0.00 0.00 0.00 19.45 17.69 3mg1 n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mg1 s PRO 124 N 2.48 1.75 0.25 0.00 0.04 -1.26 -4.86 135.00 133.40 3mg1 s PRO 124 Ca 0.86 -0.52 -0.31 0.00 0.04 0.00 0.00 61.00 61.07 3mg1 s PRO 124 Cb -0.71 -2.15 -0.12 0.00 0.04 0.00 0.00 34.50 31.56 3mg1 s PRO 124 CO 0.46 -1.52 1.65 -0.89 0.04 0.00 0.00 177.00 176.74 3mg1 n ILE 125 N -3.05 0.49 -1.59 0.56 2.08 -1.26 -4.90 119.36 111.69 3mg1 n ILE 125 Ca 0.11 -0.12 -0.43 0.00 0.56 0.00 0.00 62.75 62.86 3mg1 n ILE 125 Cb 0.60 -1.94 -0.01 0.00 -0.75 0.00 0.00 39.64 37.55 3mg1 n ILE 125 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3mg1 n PRO 126 N 3.06 1.33 -1.71 0.38 -0.02 -1.26 -4.85 135.00 131.92 3mg1 n PRO 126 Ca 0.13 0.47 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 3mg1 n PRO 126 Cb 0.35 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 3mg1 n PRO 126 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mg1 n ALA 127 N -0.02 2.44 -1.15 3.55 0.00 -1.26 -2.20 120.51 121.86 3mg1 n ALA 127 Ca 0.09 0.41 -0.05 0.00 0.00 0.00 0.00 53.44 53.89 3mg1 n ALA 127 Cb 0.34 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.30 3mg1 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mg1 n GLY 128 N 3.50 0.76 3.67 0.00 0.00 -1.26 -4.97 105.19 106.89 3mg1 n GLY 128 Ca 0.15 -0.41 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 3mg1 n GLY 128 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3mg1 n TYR 129 N -2.70 2.16 -4.77 1.61 9.36 -0.94 -4.99 117.16 116.90 3mg1 n TYR 129 Ca -0.05 0.43 -0.33 0.00 3.32 0.00 0.00 57.90 61.27 3mg1 n TYR 129 Cb 0.25 -2.46 -0.14 0.00 -0.63 0.00 0.00 39.34 36.35 3mg1 n TYR 129 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 3mg1 s GLN 130 N -0.36 3.37 0.65 2.98 -1.52 -1.26 -5.09 119.66 118.42 3mg1 s GLN 130 Ca 0.69 -0.68 -0.16 0.00 -1.95 0.00 0.00 55.36 53.25 3mg1 s GLN 130 Cb -0.65 -2.63 -0.01 0.00 -0.22 0.00 0.00 33.01 29.50 3mg1 s GLN 130 CO 0.49 0.23 1.15 -0.51 -0.25 0.00 0.00 175.29 176.40 3mg1 s LEU 131 N 0.31 3.47 1.09 2.90 1.43 -1.26 -5.03 118.68 121.60 3mg1 s LEU 131 Ca -0.10 2.16 -0.12 0.00 -1.03 0.00 0.00 54.13 55.04 3mg1 s LEU 131 Cb -0.16 -4.57 0.24 0.00 0.03 0.00 0.00 46.19 41.74 3mg1 s LEU 131 CO 0.05 -1.70 1.06 -0.94 0.23 0.00 0.00 176.35 175.05 3mg1 s SER 132 N -2.19 1.55 0.13 2.29 1.04 -1.26 -4.67 113.70 110.59 3mg1 s SER 132 Ca 0.71 1.67 -0.19 0.00 0.48 0.00 0.00 55.95 58.61 3mg1 s SER 132 Cb -0.24 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 3mg1 s SER 132 CO 0.39 -3.87 1.73 0.00 0.98 0.00 0.00 173.24 172.47 3mg1 h ALA 133 N -2.40 0.20 -0.49 5.32 0.00 -2.00 0.41 119.26 120.30 3mg1 h ALA 133 Ca -0.57 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 3mg1 h ALA 133 Cb 1.32 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 3mg1 h ALA 133 CO 0.49 -0.40 -0.05 -0.91 0.00 0.00 0.00 179.25 178.37 3mg1 h ASN 134 N 0.10 0.84 -0.45 0.00 4.21 -2.00 -2.93 115.58 115.35 3mg1 h ASN 134 Ca 0.09 -0.23 -0.14 0.00 1.21 0.00 0.00 56.30 57.23 3mg1 h ASN 134 Cb 0.10 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 3mg1 h ASN 134 CO -0.14 0.93 -0.25 0.00 -1.29 0.00 0.00 177.43 176.68 3mg1 h ALA 135 N 1.15 0.68 -0.88 -0.83 0.00 -1.79 -2.00 119.26 115.59 3mg1 h ALA 135 Ca 0.14 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3mg1 h ALA 135 Cb 0.54 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3mg1 h ALA 135 CO 0.03 0.68 0.58 -0.97 0.00 0.00 0.00 179.25 179.57 3mg1 h ASN 136 N 0.84 1.00 -0.47 0.00 -0.73 -0.85 -1.30 115.58 114.07 3mg1 h ASN 136 Ca 0.10 -0.02 -0.08 0.00 1.87 0.00 0.00 56.30 58.17 3mg1 h ASN 136 Cb 0.83 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.15 3mg1 h ASN 136 CO 0.07 0.72 -0.00 0.00 -0.37 0.00 0.00 177.43 177.85 3mg1 h ALA 137 N 1.33 1.01 -0.49 1.57 0.00 -1.32 -1.28 119.26 120.08 3mg1 h ALA 137 Ca 0.33 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3mg1 h ALA 137 Cb -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3mg1 h ALA 137 CO -0.07 0.61 0.16 0.28 0.00 0.00 0.00 179.25 180.22 3mg1 h VAL 138 N 0.82 1.23 -0.70 0.00 2.07 -0.88 -1.43 116.25 117.36 3mg1 h VAL 138 Ca 0.15 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 3mg1 h VAL 138 Cb 0.49 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 3mg1 h VAL 138 CO 0.02 0.27 0.24 0.25 0.02 0.00 0.00 177.57 178.38 3mg1 h LEU 139 N 0.66 1.00 -0.50 2.57 5.85 -1.00 -1.43 115.31 122.47 3mg1 h LEU 139 Ca 0.16 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3mg1 h LEU 139 Cb 0.26 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3mg1 h LEU 139 CO -0.01 0.93 0.24 0.00 -0.34 0.00 0.00 178.44 179.26 3mg1 h ALA 140 N 1.11 0.63 -0.20 1.25 0.00 -1.06 0.09 119.26 121.09 3mg1 h ALA 140 Ca 0.23 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3mg1 h ALA 140 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3mg1 h ALA 140 CO -0.01 -0.12 0.05 1.15 0.00 0.00 0.00 179.25 180.33 3mg1 h THR 141 N 0.47 0.93 -0.52 0.00 2.02 -0.76 -2.33 112.91 112.71 3mg1 h THR 141 Ca 0.22 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 67.39 3mg1 h THR 141 Cb 0.15 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3mg1 h THR 141 CO -0.17 0.03 0.28 0.40 0.37 0.00 0.00 175.52 176.43 3mg1 h ILE 142 N 0.14 1.00 0.00 3.11 2.04 -0.80 -1.93 117.51 121.07 3mg1 h ILE 142 Ca 0.09 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3mg1 h ILE 142 Cb 0.07 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3mg1 h ILE 142 CO -0.10 0.10 0.00 1.56 0.00 0.00 0.00 178.15 179.71 3mg1 h GLN 143 N 0.55 0.00 -0.00 2.37 4.20 -0.64 -1.63 115.11 119.96 3mg1 h GLN 143 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3mg1 h GLN 143 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3mg1 h GLN 143 CO -0.13 0.00 -0.27 0.41 -0.67 0.00 0.00 178.83 178.16 3mg1 n GLY 144 N -0.10 -1.07 3.87 3.46 0.00 -0.74 -4.93 105.19 105.68 3mg1 n GLY 144 Ca 0.02 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3mg1 n GLY 144 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mg1 s LEU 145 N -2.76 3.73 0.69 0.99 1.43 -0.62 -5.06 118.68 117.09 3mg1 s LEU 145 Ca 0.19 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.35 3mg1 s LEU 145 Cb 0.19 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 42.28 3mg1 s LEU 145 CO 0.58 -0.48 1.27 -1.61 0.23 0.00 0.00 176.35 176.34 3mg1 s GLU 146 N -4.05 2.33 0.29 1.70 2.02 -1.26 -4.72 118.70 115.00 3mg1 s GLU 146 Ca 0.53 1.98 0.02 0.00 0.02 0.00 0.00 54.97 57.52 3mg1 s GLU 146 Cb -0.10 -1.83 0.57 0.00 0.10 0.00 0.00 34.13 32.87 3mg1 s GLU 146 CO 0.34 -1.75 1.84 0.66 0.02 0.00 0.00 175.26 176.37 3mg1 h SER 147 N 0.19 0.91 -0.24 -0.19 4.64 -1.97 0.03 113.55 116.92 3mg1 h SER 147 Ca -0.50 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 3mg1 h SER 147 Cb 1.33 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3mg1 h SER 147 CO 0.51 0.48 0.10 1.23 -0.87 0.00 0.00 176.83 178.28 3mg1 h GLY 148 N 0.98 0.45 1.28 -0.77 0.00 -1.91 -1.36 103.07 101.75 3mg1 h GLY 148 Ca 0.50 -0.21 -0.28 0.00 0.00 0.00 0.00 47.33 47.34 3mg1 h GLY 148 CO -0.27 0.20 -1.12 1.46 0.00 0.00 0.00 176.54 176.81 3mg1 h GLN 149 N 0.42 0.62 -0.37 4.80 4.20 -1.42 -3.02 115.11 120.35 3mg1 h GLN 149 Ca 0.10 -0.74 0.01 0.00 0.06 0.00 0.00 58.65 58.08 3mg1 h GLN 149 Cb 0.13 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3mg1 h GLN 149 CO -0.01 1.32 0.23 1.96 -0.67 0.00 0.00 178.83 181.66 3mg1 h GLN 150 N 0.31 0.46 0.00 1.46 4.20 -0.59 -1.22 115.11 119.74 3mg1 h GLN 150 Ca -0.15 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 3mg1 h GLN 150 Cb 1.79 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 3mg1 h GLN 150 CO 0.21 0.31 -0.32 -0.84 -0.67 0.00 0.00 178.83 177.52 3mg1 h ILE 151 N 0.48 0.94 -0.24 2.54 3.07 -1.36 -1.66 117.51 121.28 3mg1 h ILE 151 Ca 0.14 -1.24 -0.18 0.00 1.55 0.00 0.00 64.86 65.13 3mg1 h ILE 151 Cb -0.03 1.73 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3mg1 h ILE 151 CO -0.04 0.32 -0.54 0.74 -1.05 0.00 0.00 178.15 177.57 3mg1 h THR 152 N 0.00 1.29 -0.15 0.16 2.02 -1.31 -1.13 112.91 113.79 3mg1 h THR 152 Ca -0.00 -1.74 0.02 0.00 0.77 0.00 0.00 66.41 65.46 3mg1 h THR 152 Cb 0.70 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 3mg1 h THR 152 CO 0.04 0.56 -0.01 0.58 0.37 0.00 0.00 175.52 177.06 3mg1 h VAL 153 N 0.54 0.89 -0.28 3.16 2.07 -0.94 -0.98 116.25 120.71 3mg1 h VAL 153 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3mg1 h VAL 153 Cb 1.15 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3mg1 h VAL 153 CO 0.12 0.01 0.17 -0.07 0.02 0.00 0.00 177.57 177.82 3mg1 h LEU 154 N 0.04 0.33 -0.24 2.57 3.38 -1.27 -1.23 115.31 118.89 3mg1 h LEU 154 Ca 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3mg1 h LEU 154 Cb 0.08 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3mg1 h LEU 154 CO -0.12 0.27 0.14 -0.09 0.09 0.00 0.00 178.44 178.73 3mg1 h ARG 155 N 0.36 0.28 -0.55 1.13 2.43 -1.09 -1.48 114.38 115.47 3mg1 h ARG 155 Ca 0.10 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3mg1 h ARG 155 Cb -0.01 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3mg1 h ARG 155 CO -0.02 0.19 0.10 -0.91 -1.51 0.00 0.00 179.97 177.82 3mg1 h ASN 156 N 0.29 0.82 -0.33 -3.80 2.35 -0.99 -0.17 115.58 113.75 3mg1 h ASN 156 Ca 0.09 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3mg1 h ASN 156 Cb -0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 3mg1 h ASN 156 CO -0.04 0.82 0.21 0.00 -1.65 0.00 0.00 177.43 176.77 3mg1 h ALA 157 N 1.29 0.42 -0.31 -0.83 0.00 -0.97 -1.68 119.26 117.17 3mg1 h ALA 157 Ca 0.18 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3mg1 h ALA 157 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mg1 h ALA 157 CO 0.00 -0.11 0.17 0.28 0.00 0.00 0.00 179.25 179.59 3mg1 h VAL 158 N 0.44 1.02 -0.08 0.00 2.07 -0.76 -2.81 116.25 116.12 3mg1 h VAL 158 Ca 0.12 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3mg1 h VAL 158 Cb -0.03 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3mg1 h VAL 158 CO -0.02 0.06 -0.20 0.58 0.02 0.00 0.00 177.57 178.01 3mg1 h VAL 159 N 0.35 1.19 0.00 2.57 2.07 -0.86 -2.53 116.25 119.04 3mg1 h VAL 159 Ca 0.12 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3mg1 h VAL 159 Cb 0.02 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3mg1 h VAL 159 CO -0.07 0.26 0.00 0.47 0.02 0.00 0.00 177.57 178.25 3mg1 n ASP 160 N -4.24 0.56 -4.84 0.57 8.00 -0.65 -4.85 116.55 111.10 3mg1 n ASP 160 Ca -0.01 0.63 -0.29 0.00 0.71 0.00 0.00 54.79 55.82 3mg1 n ASP 160 Cb 0.30 -0.75 0.10 0.00 -0.02 0.00 0.00 41.12 40.75 3mg1 n ASP 160 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mg1 s MET 161 N -3.24 1.79 0.71 -1.24 -1.94 -0.95 -4.91 119.30 109.51 3mg1 s MET 161 Ca 0.06 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.36 3mg1 s MET 161 Cb 0.10 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 35.03 3mg1 s MET 161 CO 0.40 -1.76 0.00 0.41 -0.01 0.00 0.00 175.02 174.06 3mg1 n GLY 162 N -2.63 -2.04 0.00 -0.03 0.00 -0.26 -4.69 105.19 95.53 3mg1 n GLY 162 Ca 0.07 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3mg1 n GLY 162 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3mg1 n PHE 163 N -0.03 0.00 0.00 1.61 7.35 -0.83 -4.28 117.46 121.27 3mg1 n PHE 163 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3mg1 n PHE 163 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3mg1 n PHE 163 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 3mg1 n ARG 171 N -0.49 0.00 -4.17 -4.13 1.85 0.27 -4.94 116.66 105.05 3mg1 n ARG 171 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.51 3mg1 n ARG 171 Cb 0.02 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.30 3mg1 n ARG 171 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3mg1 s ILE 172 N -2.00 3.70 0.13 8.89 -1.09 0.40 -5.04 121.20 126.19 3mg1 s ILE 172 Ca 0.00 -0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.00 3mg1 s ILE 172 Cb 0.00 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.19 3mg1 s ILE 172 CO 0.00 0.45 0.06 0.00 -1.23 0.00 0.00 174.94 174.22 3mg1 s ALA 173 N 0.93 0.81 0.68 9.38 0.00 -1.26 -0.70 121.76 131.59 3mg1 s ALA 173 Ca 0.00 -1.43 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 3mg1 s ALA 173 Cb -0.15 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3mg1 s ALA 173 CO 0.01 -0.49 1.14 -1.21 0.00 0.00 0.00 175.76 175.21 3mg1 s GLU 174 N -4.04 2.62 0.62 0.00 2.02 -1.26 -4.98 118.70 113.67 3mg1 s GLU 174 Ca 0.23 1.51 -0.19 0.00 0.02 0.00 0.00 54.97 56.54 3mg1 s GLU 174 Cb 0.07 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.36 3mg1 s GLU 174 CO 0.01 -1.41 1.31 -2.14 0.02 0.00 0.00 175.26 173.05 3mg1 s PRO 175 N -4.01 2.73 -0.09 0.39 0.02 -1.26 -4.94 135.00 127.84 3mg1 s PRO 175 Ca 0.69 2.10 -0.30 0.00 0.02 0.00 0.00 61.00 63.51 3mg1 s PRO 175 Cb -0.23 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 3mg1 s PRO 175 CO 0.42 -1.47 1.09 0.08 -0.33 0.00 0.00 177.00 176.79 3mg1 s VAL 176 N -1.38 4.56 0.18 3.83 1.01 -1.26 -5.02 120.40 122.32 3mg1 s VAL 176 Ca 0.79 1.85 -0.30 0.00 0.00 0.00 0.00 61.98 64.33 3mg1 s VAL 176 Cb -0.38 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.74 3mg1 s VAL 176 CO 0.41 -0.01 0.94 0.68 0.00 0.00 0.00 175.10 177.12 3mg1 s VAL 177 N 2.19 4.29 0.43 2.92 -7.23 -1.26 -5.01 120.40 116.73 3mg1 s VAL 177 Ca 0.51 2.06 -0.25 0.00 -1.81 0.00 0.00 61.98 62.49 3mg1 s VAL 177 Cb -0.21 -4.32 -0.09 0.00 0.56 0.00 0.00 36.38 32.32 3mg1 s VAL 177 CO 0.19 0.42 1.27 -2.65 -0.31 0.00 0.00 175.10 174.02 3mg1 n PRO 178 N 2.10 1.90 -1.02 4.82 -0.02 -1.26 -4.94 135.00 136.59 3mg1 n PRO 178 Ca -0.00 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.82 3mg1 n PRO 178 Cb 0.48 -2.40 0.13 0.00 -0.02 0.00 0.00 33.50 31.69 3mg1 n PRO 178 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3mg1 n PRO 179 N -0.06 0.04 -2.00 0.52 -0.02 -1.26 -4.92 135.00 127.30 3mg1 n PRO 179 Ca 0.07 0.09 -0.40 0.00 -2.02 0.00 0.00 63.50 61.23 3mg1 n PRO 179 Cb 0.40 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3mg1 n PRO 179 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3mg1 s GLN 180 N -4.06 4.17 0.12 -0.52 0.74 0.12 -4.92 119.66 115.31 3mg1 s GLN 180 Ca 0.70 2.31 -0.35 0.00 0.05 0.00 0.00 55.36 58.07 3mg1 s GLN 180 Cb -0.28 -2.95 -0.15 0.00 1.10 0.00 0.00 33.01 30.72 3mg1 s GLN 180 CO 0.54 -0.38 1.45 -3.47 -0.55 0.00 0.00 175.29 172.88 3mg1 n ASP 181 N 0.51 2.30 -0.34 6.67 2.03 -1.26 -4.86 116.55 121.59 3mg1 n ASP 181 Ca 0.01 1.10 0.07 0.00 0.52 0.00 0.00 54.79 56.50 3mg1 n ASP 181 Cb 0.41 -1.30 0.24 0.00 -0.72 0.00 0.00 41.12 39.76 3mg1 n ASP 181 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 3mg1 h THR 182 N 3.46 0.85 0.00 5.18 2.02 -1.98 0.33 112.91 122.77 3mg1 h THR 182 Ca -0.46 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3mg1 h THR 182 Cb 1.30 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3mg1 h THR 182 CO 0.83 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.88 3mg1 h ALA 183 N 1.54 1.00 -0.00 6.16 0.00 -2.04 -2.86 119.26 123.07 3mg1 h ALA 183 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3mg1 h ALA 183 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3mg1 h ALA 183 CO -0.30 0.00 -0.66 0.45 0.00 0.00 0.00 179.25 178.74 3mg1 n SER 184 N -2.45 0.70 -4.75 0.00 2.88 0.09 -4.96 113.62 105.12 3mg1 n SER 184 Ca 0.02 -0.53 -0.41 0.00 -1.33 0.00 0.00 58.87 56.63 3mg1 n SER 184 Cb 0.29 0.50 -0.04 0.00 -0.75 0.00 0.00 64.21 64.22 3mg1 n SER 184 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mg1 s ARG 185 N -2.98 4.58 0.31 -1.46 0.52 -1.08 -5.00 118.95 113.84 3mg1 s ARG 185 Ca 0.10 1.86 0.01 0.00 -0.52 0.00 0.00 55.73 57.19 3mg1 s ARG 185 Cb 0.17 -3.19 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 3mg1 s ARG 185 CO 0.75 0.10 0.50 0.95 0.02 0.00 0.00 175.30 177.62 3mg1 s THR 186 N -0.90 5.14 -0.04 0.02 -4.23 -1.26 -5.09 115.64 109.28 3mg1 s THR 186 Ca 0.47 -0.55 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 3mg1 s THR 186 Cb -0.33 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.64 3mg1 s THR 186 CO 0.41 -0.48 -0.21 -0.54 -0.54 0.00 0.00 174.62 173.26 3mg1 s LYS 187 N -4.16 2.34 0.57 3.99 1.02 -1.26 -4.91 119.74 117.33 3mg1 s LYS 187 Ca 0.39 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 3mg1 s LYS 187 Cb -0.10 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 34.98 3mg1 s LYS 187 CO 0.34 0.55 0.97 0.14 -0.92 0.00 0.00 175.35 176.42 3mg1 s VAL 188 N -0.56 4.74 -0.04 3.17 -7.23 -1.26 -5.08 120.40 114.14 3mg1 s VAL 188 Ca 0.08 0.76 0.03 0.00 -1.81 0.00 0.00 61.98 61.04 3mg1 s VAL 188 Cb -0.11 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.98 3mg1 s VAL 188 CO 0.00 -1.03 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.08 3mg1 s SER 189 N -4.04 1.76 -0.14 4.85 0.15 -1.26 -5.07 113.70 109.95 3mg1 s SER 189 Ca 0.54 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.90 3mg1 s SER 189 Cb -0.11 -0.51 0.02 0.00 -1.71 0.00 0.00 66.02 63.71 3mg1 s SER 189 CO 0.49 0.11 -0.13 -0.63 1.20 0.00 0.00 173.24 174.29 3mg1 s ILE 190 N 0.15 1.44 0.16 6.45 1.01 -1.26 -4.64 121.20 124.51 3mg1 s ILE 190 Ca -0.04 -0.55 -0.32 0.00 0.00 0.00 0.00 60.65 59.73 3mg1 s ILE 190 Cb -0.11 -1.37 -0.12 0.00 0.01 0.00 0.00 42.46 40.87 3mg1 s ILE 190 CO 0.02 0.44 1.73 -0.62 0.00 0.00 0.00 174.94 176.50 3mg1 n GLU 191 N 4.77 2.61 0.00 2.79 1.02 -0.62 -1.61 120.64 129.60 3mg1 n GLU 191 Ca -0.16 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 3mg1 n GLU 191 Cb 0.50 -2.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 3mg1 n GLU 191 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mg1 n GLY 192 N 3.93 2.75 2.98 0.62 0.00 -1.26 -1.12 105.19 113.08 3mg1 n GLY 192 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3mg1 n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mg1 s VAL 193 N -2.07 1.62 -1.26 1.61 1.01 -0.64 -4.82 120.40 115.85 3mg1 s VAL 193 Ca 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3mg1 s VAL 193 Cb 0.00 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.76 3mg1 s VAL 193 CO 0.00 0.05 0.98 0.35 0.00 0.00 0.00 175.10 176.48 3mg1 n THR 194 N 4.67 0.30 -1.67 3.92 -2.24 -1.26 -4.26 114.28 113.74 3mg1 n THR 194 Ca -0.14 -0.65 -0.49 0.00 -2.27 0.00 0.00 64.05 60.51 3mg1 n THR 194 Cb 0.45 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.65 3mg1 n THR 194 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mg1 n ASN 195 N 0.60 3.05 -0.12 3.42 2.85 -1.26 -4.86 115.26 118.94 3mg1 n ASN 195 Ca 0.08 1.03 -0.05 0.00 -0.11 0.00 0.00 54.58 55.54 3mg1 n ASN 195 Cb 0.33 -1.35 0.15 0.00 1.24 0.00 0.00 39.78 40.15 3mg1 n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mg1 h ALA 196 N 7.46 1.09 -0.27 5.20 0.00 -1.98 -1.65 119.26 129.10 3mg1 h ALA 196 Ca -0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 3mg1 h ALA 196 Cb 1.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3mg1 h ALA 196 CO 0.91 0.58 0.12 1.15 0.00 0.00 0.00 179.25 182.01 3mg1 h THR 197 N 0.77 1.16 -0.31 0.00 2.02 -1.89 0.96 112.91 115.62 3mg1 h THR 197 Ca 0.15 -0.48 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 3mg1 h THR 197 Cb 0.45 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3mg1 h THR 197 CO 0.02 0.16 0.11 0.58 0.37 0.00 0.00 175.52 176.77 3mg1 h VAL 198 N 0.29 1.19 -0.62 3.16 2.07 -1.87 0.12 116.25 120.59 3mg1 h VAL 198 Ca 0.09 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3mg1 h VAL 198 Cb 0.15 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3mg1 h VAL 198 CO -0.01 0.21 0.31 -0.07 0.02 0.00 0.00 177.57 178.03 3mg1 h LEU 199 N 0.35 0.81 -1.04 2.57 3.38 -1.24 -1.89 115.31 118.26 3mg1 h LEU 199 Ca 0.10 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3mg1 h LEU 199 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3mg1 h LEU 199 CO -0.01 0.70 -0.18 0.78 0.09 0.00 0.00 178.44 179.83 3mg1 h ASN 200 N 0.86 0.47 0.18 -0.43 2.35 -0.60 -0.86 115.58 117.54 3mg1 h ASN 200 Ca 0.22 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3mg1 h ASN 200 Cb 0.10 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.35 3mg1 h ASN 200 CO -0.03 0.67 -0.09 0.22 -1.65 0.00 0.00 177.43 176.55 3mg1 h TYR 201 N 0.44 -0.23 -0.30 1.19 3.20 -0.37 -0.79 116.97 120.11 3mg1 h TYR 201 Ca 0.07 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3mg1 h TYR 201 Cb 0.56 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3mg1 h TYR 201 CO 0.02 -0.13 0.13 0.52 -1.64 0.00 0.00 178.16 177.06 3mg1 h MET 202 N -0.26 0.45 -0.47 1.82 2.86 -1.13 -2.26 114.93 115.94 3mg1 h MET 202 Ca -0.03 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3mg1 h MET 202 Cb 0.20 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 3mg1 h MET 202 CO 0.04 0.45 -0.19 -0.44 1.06 0.00 0.00 176.91 177.83 3mg1 h ASP 203 N 0.35 0.98 0.02 1.22 3.32 -1.12 -1.51 116.42 119.68 3mg1 h ASP 203 Ca 0.10 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.62 3mg1 h ASP 203 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3mg1 h ASP 203 CO -0.01 1.15 -0.48 0.78 -1.72 0.00 0.00 179.24 178.96 3mg1 h ASN 204 N 0.80 0.57 -0.47 6.45 2.35 -1.12 -2.44 115.58 121.73 3mg1 h ASN 204 Ca 0.11 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 3mg1 h ASN 204 Cb 0.77 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3mg1 h ASN 204 CO 0.06 0.96 -0.10 0.25 -1.65 0.00 0.00 177.43 176.95 3mg1 h LEU 205 N 0.42 0.89 -2.65 1.61 5.85 -1.30 0.46 115.31 120.59 3mg1 h LEU 205 Ca 0.02 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.39 3mg1 h LEU 205 Cb 0.99 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 3mg1 h LEU 205 CO 0.09 1.04 -0.00 0.78 -0.34 0.00 0.00 178.44 180.01 3mg1 h ASN 206 N 0.73 0.00 -0.50 1.25 2.35 -1.17 -1.64 115.58 116.60 3mg1 h ASN 206 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3mg1 h ASN 206 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3mg1 h ASN 206 CO 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.83 3mg1 n ALA 207 N -2.09 2.39 -2.76 -0.83 0.00 -0.89 -4.93 120.51 111.39 3mg1 n ALA 207 Ca -0.02 -1.10 -0.18 0.00 0.00 0.00 0.00 53.44 52.14 3mg1 n ALA 207 Cb 0.12 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3mg1 n ALA 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mg1 n ASN 208 N 1.45 -4.42 -4.26 0.00 3.02 -0.62 -0.71 115.26 109.73 3mg1 n ASN 208 Ca 0.20 -0.05 -0.44 0.00 -0.03 0.00 0.00 54.58 54.26 3mg1 n ASN 208 Cb 0.59 -3.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.08 3mg1 n ASN 208 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3mg1 n ASP 209 N -2.06 5.54 0.09 6.41 -0.08 0.10 -4.25 116.55 122.30 3mg1 n ASP 209 Ca -0.12 -3.09 -0.06 0.00 -1.51 0.00 0.00 54.79 50.01 3mg1 n ASP 209 Cb 0.60 -1.43 0.06 0.00 2.34 0.00 0.00 41.12 42.69 3mg1 n ASP 209 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3mg1 h PHE 210 N 6.47 0.22 -0.60 -0.67 0.04 -1.91 -1.41 116.94 119.08 3mg1 h PHE 210 Ca 0.25 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 3mg1 h PHE 210 Cb 0.80 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.89 3mg1 h PHE 210 CO 0.97 0.84 0.10 -0.44 -0.60 0.00 0.00 178.31 179.18 3mg1 h ASP 211 N 0.10 0.91 -0.10 2.17 3.32 -1.98 -0.26 116.42 120.58 3mg1 h ASP 211 Ca -0.02 -0.20 -0.24 0.00 0.02 0.00 0.00 57.03 56.59 3mg1 h ASP 211 Cb 1.32 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.64 3mg1 h ASP 211 CO 0.11 0.91 -0.87 0.74 -1.72 0.00 0.00 179.24 178.41 3mg1 h THR 212 N 0.91 1.28 -0.50 0.35 2.02 -1.95 -3.28 112.91 111.73 3mg1 h THR 212 Ca 0.19 -2.07 0.02 0.00 0.77 0.00 0.00 66.41 65.32 3mg1 h THR 212 Cb 0.39 2.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 3mg1 h THR 212 CO 0.01 0.65 0.30 0.25 0.37 0.00 0.00 175.52 177.10 3mg1 h LEU 213 N 0.49 0.48 -1.70 2.58 5.85 -0.98 -2.57 115.31 119.47 3mg1 h LEU 213 Ca -0.08 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3mg1 h LEU 213 Cb 1.51 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.44 3mg1 h LEU 213 CO 0.18 0.34 -0.17 -0.29 -0.34 0.00 0.00 178.44 178.16 3mg1 h ILE 214 N 0.59 0.67 0.00 4.05 6.09 -1.13 -1.84 117.51 125.95 3mg1 h ILE 214 Ca 0.20 -0.72 0.00 0.00 -1.37 0.00 0.00 64.86 62.97 3mg1 h ILE 214 Cb 0.02 1.45 0.00 0.00 0.47 0.00 0.00 36.82 38.76 3mg1 h ILE 214 CO -0.09 0.17 0.00 -0.62 -3.07 0.00 0.00 178.15 174.53 3mg1 n GLU 215 N -3.69 0.01 0.13 2.19 -0.58 -0.97 -1.94 120.64 115.80 3mg1 n GLU 215 Ca -0.02 0.24 0.13 0.00 -0.42 0.00 0.00 57.16 57.09 3mg1 n GLU 215 Cb 0.29 -1.53 0.42 0.00 -0.57 0.00 0.00 31.44 30.05 3mg1 n GLU 215 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3mg1 h LEU 216 N 0.00 0.00 -9.98 -4.62 3.38 -1.42 -3.46 115.31 99.21 3mg1 h LEU 216 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3mg1 h LEU 216 Cb 0.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3mg1 h LEU 216 CO 0.00 0.00 -0.12 -0.36 0.09 0.00 0.00 178.44 178.05 3mg1 s PHE 217 N -3.20 3.43 0.75 1.13 0.08 -0.82 -0.12 117.98 119.24 3mg1 s PHE 217 Ca 0.08 0.87 -0.12 0.00 0.12 0.00 0.00 56.93 57.88 3mg1 s PHE 217 Cb 0.11 -2.25 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 3mg1 s PHE 217 CO 0.54 0.27 1.10 0.95 -0.10 0.00 0.00 175.22 177.98 3mg1 s THR 218 N -1.83 3.23 0.46 0.64 -4.23 -0.45 -4.76 115.64 108.69 3mg1 s THR 218 Ca 0.47 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.57 3mg1 s THR 218 Cb -0.11 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.13 3mg1 s THR 218 CO 0.21 -0.48 2.02 0.77 -0.54 0.00 0.00 174.62 176.60 3mg1 h SER 219 N -0.88 0.27 -0.37 3.99 4.64 -1.97 -1.48 113.55 117.75 3mg1 h SER 219 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3mg1 h SER 219 Cb 1.24 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3mg1 h SER 219 CO 0.51 0.17 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 3mg1 n ASP 220 N -4.47 3.90 -4.82 4.97 5.75 -1.26 -3.28 116.55 117.34 3mg1 n ASP 220 Ca 0.07 -2.62 -0.31 0.00 -0.01 0.00 0.00 54.79 51.92 3mg1 n ASP 220 Cb 0.31 -0.47 0.06 0.00 -1.03 0.00 0.00 41.12 40.00 3mg1 n ASP 220 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3mg1 s GLY 221 N -1.41 1.65 0.09 6.12 0.00 -0.56 -4.40 107.32 108.82 3mg1 s GLY 221 Ca 0.39 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.09 3mg1 s GLY 221 CO 0.14 0.30 -0.08 0.00 0.00 0.00 0.00 173.10 173.46 3mg1 s ALA 222 N -3.11 1.00 -0.07 3.20 0.00 -0.49 -0.40 121.76 121.88 3mg1 s ALA 222 Ca 0.59 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.38 3mg1 s ALA 222 Cb -0.14 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3mg1 s ALA 222 CO 0.55 -0.12 -0.16 -1.17 0.00 0.00 0.00 175.76 174.86 3mg1 s LEU 223 N -2.59 1.82 -0.34 0.00 0.20 -0.46 -1.41 118.68 115.90 3mg1 s LEU 223 Ca 0.06 -0.37 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 3mg1 s LEU 223 Cb -0.00 -1.00 0.08 0.00 -0.43 0.00 0.00 46.19 44.83 3mg1 s LEU 223 CO -0.02 0.09 0.06 -1.58 -0.29 0.00 0.00 176.35 174.61 3mg1 s GLN 224 N 0.44 2.16 0.87 1.98 0.74 0.55 -0.55 119.66 125.85 3mg1 s GLN 224 Ca -0.13 -1.52 -0.11 0.00 0.05 0.00 0.00 55.36 53.65 3mg1 s GLN 224 Cb -0.15 -3.29 0.11 0.00 1.10 0.00 0.00 33.01 30.78 3mg1 s GLN 224 CO 0.05 -0.79 1.09 -2.14 -0.55 0.00 0.00 175.29 172.94 3mg1 s PRO 225 N 1.16 1.49 0.03 1.67 0.02 -1.26 -0.69 135.00 137.42 3mg1 s PRO 225 Ca 0.01 0.87 -0.34 0.00 0.02 0.00 0.00 61.00 61.55 3mg1 s PRO 225 Cb -0.21 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.35 3mg1 s PRO 225 CO -0.03 -2.09 1.72 -2.30 -0.33 0.00 0.00 177.00 173.97 3mg1 n PRO 226 N -3.79 2.11 -1.55 5.54 -0.02 -0.85 -1.91 135.00 134.53 3mg1 n PRO 226 Ca 0.07 0.77 -0.17 0.00 -2.02 0.00 0.00 63.50 62.15 3mg1 n PRO 226 Cb 0.55 -2.57 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3mg1 n PRO 226 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3mg1 n PHE 227 N 4.98 -0.05 -4.53 6.00 3.72 -1.26 -4.99 117.46 121.34 3mg1 n PHE 227 Ca 0.20 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.35 3mg1 n PHE 227 Cb 0.28 -3.00 -0.10 0.00 -0.94 0.00 0.00 39.48 35.72 3mg1 n PHE 227 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3mg1 s GLN 228 N -3.55 1.78 0.69 -1.08 -0.21 -0.80 -5.08 119.66 111.41 3mg1 s GLN 228 Ca 0.00 -1.91 -0.11 0.00 0.02 0.00 0.00 55.36 53.35 3mg1 s GLN 228 Cb 0.00 -1.64 0.01 0.00 1.00 0.00 0.00 33.01 32.38 3mg1 s GLN 228 CO 0.00 0.13 1.06 1.03 -2.12 0.00 0.00 175.29 175.40 3mg1 s ARG 229 N -3.62 2.91 0.37 2.91 1.81 -1.26 -4.55 118.95 117.52 3mg1 s ARG 229 Ca 0.32 1.01 -0.28 0.00 -1.72 0.00 0.00 55.73 55.06 3mg1 s ARG 229 Cb 0.02 -1.99 -0.11 0.00 -0.45 0.00 0.00 34.95 32.42 3mg1 s ARG 229 CO 0.16 -1.12 1.38 -2.30 -0.68 0.00 0.00 175.30 172.74 3mg1 n PRO 230 N -3.03 2.36 -3.54 3.54 -0.02 -1.26 -4.56 135.00 128.50 3mg1 n PRO 230 Ca 0.08 0.83 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 3mg1 n PRO 230 Cb 0.53 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.42 3mg1 n PRO 230 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mg1 s ILE 231 N -1.12 5.28 -0.13 4.25 1.01 0.29 -4.94 121.20 125.84 3mg1 s ILE 231 Ca 0.55 0.32 -0.01 0.00 0.00 0.00 0.00 60.65 61.51 3mg1 s ILE 231 Cb -0.52 -3.58 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3mg1 s ILE 231 CO 0.62 0.24 -0.11 -0.69 0.00 0.00 0.00 174.94 175.01 3mg1 s VAL 232 N 1.67 3.23 0.00 2.92 1.01 -1.26 -1.35 120.40 126.62 3mg1 s VAL 232 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3mg1 s VAL 232 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3mg1 s VAL 232 CO 0.09 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3mg1 n GLY 233 N 3.50 0.85 0.31 4.51 0.00 0.46 -4.42 105.19 110.41 3mg1 n GLY 233 Ca -0.18 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.18 3mg1 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg1 h LYS 234 N 0.00 1.05 -0.11 1.61 1.57 -1.79 -1.06 116.57 117.84 3mg1 h LYS 234 Ca 0.00 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3mg1 h LYS 234 Cb 0.00 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.04 3mg1 h LYS 234 CO 0.00 0.70 -0.09 1.49 -0.57 0.00 0.00 179.45 180.98 3mg1 h GLU 235 N 1.09 -0.10 -0.26 3.15 4.81 -1.90 0.53 114.58 121.90 3mg1 h GLU 235 Ca 0.30 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.38 3mg1 h GLU 235 Cb -0.11 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3mg1 h GLU 235 CO -0.07 -0.07 -0.48 -0.91 -0.73 0.00 0.00 179.01 176.75 3mg1 h ASN 236 N -0.10 0.75 -0.39 1.04 2.35 -1.68 -1.90 115.58 115.65 3mg1 h ASN 236 Ca 0.07 -0.37 -0.11 0.00 -0.55 0.00 0.00 56.30 55.34 3mg1 h ASN 236 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3mg1 h ASN 236 CO -0.18 1.10 -0.19 0.58 -1.65 0.00 0.00 177.43 177.10 3mg1 h VAL 237 N 0.55 1.28 -0.73 2.81 2.07 -1.06 -1.72 116.25 119.45 3mg1 h VAL 237 Ca 0.03 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 3mg1 h VAL 237 Cb 1.03 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3mg1 h VAL 237 CO 0.10 0.44 0.27 0.25 0.02 0.00 0.00 177.57 178.65 3mg1 h LEU 238 N 0.62 1.02 -0.70 2.57 5.85 -0.81 -0.69 115.31 123.18 3mg1 h LEU 238 Ca 0.09 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3mg1 h LEU 238 Cb 0.74 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 3mg1 h LEU 238 CO 0.06 0.93 0.44 -0.09 -0.34 0.00 0.00 178.44 179.44 3mg1 h ARG 239 N 1.05 0.85 -0.42 1.25 2.43 -1.22 -1.20 114.38 117.11 3mg1 h ARG 239 Ca 0.24 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 3mg1 h ARG 239 Cb 0.24 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3mg1 h ARG 239 CO -0.02 0.56 0.18 0.35 -1.51 0.00 0.00 179.97 179.53 3mg1 h PHE 240 N 0.87 0.64 -0.16 2.20 3.57 -0.71 -0.63 116.94 122.73 3mg1 h PHE 240 Ca 0.27 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.77 3mg1 h PHE 240 Cb -0.01 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3mg1 h PHE 240 CO -0.04 0.55 -0.11 0.74 -2.23 0.00 0.00 178.31 177.22 3mg1 h PHE 241 N 0.54 -0.26 -0.31 0.41 0.04 -0.80 -0.97 116.94 115.59 3mg1 h PHE 241 Ca 0.14 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 3mg1 h PHE 241 Cb 0.17 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 3mg1 h PHE 241 CO -0.00 -0.16 -0.18 0.00 -0.60 0.00 0.00 178.31 177.36 3mg1 h ARG 242 N -0.11 0.56 0.04 1.51 3.08 -0.95 -1.59 114.38 116.91 3mg1 h ARG 242 Ca 0.09 -0.19 -0.26 0.00 0.07 0.00 0.00 59.98 59.70 3mg1 h ARG 242 Cb 0.25 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3mg1 h ARG 242 CO -0.22 0.71 -1.33 0.93 -1.07 0.00 0.00 179.97 178.99 3mg1 h GLU 243 N 0.50 0.08 0.00 0.04 5.08 -0.97 -3.43 114.58 115.88 3mg1 h GLU 243 Ca 0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mg1 h GLU 243 Cb 0.60 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3mg1 h GLU 243 CO 0.04 0.91 -0.36 0.39 -1.00 0.00 0.00 179.01 178.99 3mg1 n GLU 244 N -3.31 3.12 -0.55 2.33 1.02 -0.38 -4.79 120.64 118.08 3mg1 n GLU 244 Ca -0.09 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.09 3mg1 n GLU 244 Cb 1.00 -0.60 0.22 0.00 -0.02 0.00 0.00 31.44 32.04 3mg1 n GLU 244 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mg1 s GLN 246 N -3.01 4.68 -1.12 0.00 -0.21 -1.26 -4.22 119.66 114.52 3mg1 s GLN 246 Ca 0.42 1.34 0.00 0.00 0.02 0.00 0.00 55.36 57.14 3mg1 s GLN 246 Cb 0.36 -3.09 0.00 0.00 1.00 0.00 0.00 33.01 31.28 3mg1 s GLN 246 CO 0.04 0.44 0.00 0.09 -2.12 0.00 0.00 175.29 173.74 3mg1 n ASN 247 N 1.15 -4.07 -4.83 5.90 3.02 -1.26 -4.82 115.26 110.36 3mg1 n ASN 247 Ca -0.01 0.12 -0.31 0.00 -0.03 0.00 0.00 54.58 54.34 3mg1 n ASN 247 Cb 0.49 -3.00 0.04 0.00 -0.61 0.00 0.00 39.78 36.69 3mg1 n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3mg1 s LEU 248 N -3.12 3.17 -0.22 3.41 1.43 -1.26 -3.91 118.68 118.18 3mg1 s LEU 248 Ca 0.00 1.59 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 3mg1 s LEU 248 Cb 0.00 -4.49 0.06 0.00 0.03 0.00 0.00 46.19 41.78 3mg1 s LEU 248 CO 0.00 -1.31 -0.05 -0.75 0.23 0.00 0.00 176.35 174.46 3mg1 s LYS 249 N -5.02 1.58 -0.18 1.70 2.20 -0.79 -4.67 119.74 114.56 3mg1 s LYS 249 Ca 0.58 -0.90 -0.16 0.00 -0.36 0.00 0.00 55.97 55.13 3mg1 s LYS 249 Cb -0.13 -2.49 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 3mg1 s LYS 249 CO 0.54 -0.57 0.39 -0.51 -0.36 0.00 0.00 175.35 174.84 3mg1 s LEU 250 N 1.45 4.19 -0.57 5.43 1.02 -1.26 -0.98 118.68 127.94 3mg1 s LEU 250 Ca -0.05 0.55 0.06 0.00 0.02 0.00 0.00 54.13 54.72 3mg1 s LEU 250 Cb -0.18 -2.51 0.23 0.00 0.02 0.00 0.00 46.19 43.74 3mg1 s LEU 250 CO -0.07 -0.03 0.61 -0.38 0.02 0.00 0.00 176.35 176.50 3mg1 n ILE 251 N 4.11 1.18 -2.13 -0.59 5.41 0.90 -5.01 119.36 123.22 3mg1 n ILE 251 Ca -0.09 -4.70 -0.37 0.00 1.00 0.00 0.00 62.75 58.59 3mg1 n ILE 251 Cb 0.51 -2.04 0.01 0.00 -0.71 0.00 0.00 39.64 37.41 3mg1 n ILE 251 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3mg1 s PRO 252 N -1.74 3.40 -0.05 0.38 0.04 -1.26 -1.50 135.00 134.27 3mg1 s PRO 252 Ca 0.35 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 3mg1 s PRO 252 Cb 0.11 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.43 3mg1 s PRO 252 CO -0.08 -0.86 -0.07 0.39 0.04 0.00 0.00 177.00 176.42 3mg1 n GLU 253 N -0.99 0.11 -3.68 4.56 1.02 0.31 -4.75 120.64 117.22 3mg1 n GLU 253 Ca 0.10 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 3mg1 n GLU 253 Cb 0.48 -0.69 -0.06 0.00 -0.02 0.00 0.00 31.44 31.16 3mg1 n GLU 253 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3mg1 s ARG 254 N -2.10 0.94 0.37 3.49 0.52 -1.02 -1.58 118.95 119.56 3mg1 s ARG 254 Ca -0.07 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.54 3mg1 s ARG 254 Cb 0.03 0.41 0.03 0.00 0.52 0.00 0.00 34.95 35.94 3mg1 s ARG 254 CO 0.09 -0.33 0.64 0.20 0.02 0.00 0.00 175.30 175.92 3mg1 s GLY 255 N -2.28 0.98 -0.07 -3.53 0.00 -0.28 -0.61 107.32 101.53 3mg1 s GLY 255 Ca -0.02 -1.17 -0.08 0.00 0.00 0.00 0.00 44.72 43.45 3mg1 s GLY 255 CO -0.06 -0.67 0.22 0.54 0.00 0.00 0.00 173.10 173.13 3mg1 s VAL 256 N -2.61 0.01 -0.08 1.40 0.11 -0.17 -4.63 120.40 114.44 3mg1 s VAL 256 Ca 0.23 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 3mg1 s VAL 256 Cb -0.03 -0.34 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3mg1 s VAL 256 CO 0.16 -0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.84 3mg1 s THR 257 N -0.10 1.39 0.02 5.04 2.01 -1.26 -1.45 115.64 121.29 3mg1 s THR 257 Ca -0.02 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.36 3mg1 s THR 257 Cb -0.02 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 3mg1 s THR 257 CO 0.01 0.41 -0.03 -1.61 -0.69 0.00 0.00 174.62 172.71 3mg1 s GLU 258 N 0.66 0.31 0.58 4.92 2.02 0.21 -5.01 118.70 122.38 3mg1 s GLU 258 Ca -0.14 -0.60 -0.18 0.00 0.02 0.00 0.00 54.97 54.07 3mg1 s GLU 258 Cb -0.16 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 3mg1 s GLU 258 CO 0.04 -0.05 1.13 -1.25 0.02 0.00 0.00 175.26 175.15 3mg1 s PRO 259 N -1.44 3.18 0.29 0.39 0.04 -1.26 -0.05 135.00 136.15 3mg1 s PRO 259 Ca -0.16 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.47 3mg1 s PRO 259 Cb -0.10 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3mg1 s PRO 259 CO -0.01 -0.98 0.06 0.00 0.04 0.00 0.00 177.00 176.11 3mg1 n ALA 260 N -1.62 0.34 -1.44 8.56 0.00 0.12 -4.60 120.51 121.88 3mg1 n ALA 260 Ca 0.11 -1.42 -0.33 0.00 0.00 0.00 0.00 53.44 51.80 3mg1 n ALA 260 Cb 0.51 0.88 0.06 0.00 0.00 0.00 0.00 19.45 20.91 3mg1 n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3mg1 s GLU 261 N -3.09 2.56 -1.73 0.00 2.02 -1.26 -3.66 118.70 113.53 3mg1 s GLU 261 Ca 0.09 1.47 -0.01 0.00 0.02 0.00 0.00 54.97 56.53 3mg1 s GLU 261 Cb 0.00 -1.91 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3mg1 s GLU 261 CO 0.06 -1.45 0.18 -0.25 0.02 0.00 0.00 175.26 173.82 3mg1 n ASP 262 N -2.60 -6.02 -0.02 -0.19 8.00 -1.26 -1.63 116.55 112.83 3mg1 n ASP 262 Ca 0.11 -0.10 -0.00 0.00 0.71 0.00 0.00 54.79 55.51 3mg1 n ASP 262 Cb 0.52 -4.97 -0.00 0.00 -0.02 0.00 0.00 41.12 36.65 3mg1 n ASP 262 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mg1 n GLY 263 N -1.17 0.44 3.86 0.44 0.00 -1.25 -4.75 105.19 102.77 3mg1 n GLY 263 Ca -0.21 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3mg1 n GLY 263 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mg1 s PHE 264 N -1.87 2.89 -0.02 1.61 0.40 -0.65 -3.90 117.98 116.44 3mg1 s PHE 264 Ca 0.00 0.85 0.04 0.00 -0.60 0.00 0.00 56.93 57.22 3mg1 s PHE 264 Cb 0.00 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.14 3mg1 s PHE 264 CO 0.00 -1.84 -0.13 0.99 0.70 0.00 0.00 175.22 174.94 3mg1 s THR 265 N -3.44 1.07 -0.08 0.64 2.01 -0.23 -0.70 115.64 114.91 3mg1 s THR 265 Ca 0.62 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 62.09 3mg1 s THR 265 Cb -0.12 -0.90 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 3mg1 s THR 265 CO 0.51 0.31 -0.16 0.00 -0.69 0.00 0.00 174.62 174.58 3mg1 s GLN 266 N -0.19 2.82 -0.04 4.92 -2.07 0.93 -0.59 119.66 125.42 3mg1 s GLN 266 Ca 0.03 -0.74 0.02 0.00 -1.82 0.00 0.00 55.36 52.85 3mg1 s GLN 266 Cb -0.06 -2.42 0.02 0.00 -1.09 0.00 0.00 33.01 29.45 3mg1 s GLN 266 CO -0.00 0.43 -0.07 0.42 -1.32 0.00 0.00 175.29 174.75 3mg1 s ILE 267 N -0.24 0.72 -0.12 3.63 1.01 -0.28 -0.62 121.20 125.29 3mg1 s ILE 267 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3mg1 s ILE 267 Cb -0.13 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3mg1 s ILE 267 CO 0.03 0.26 -0.13 -0.75 0.00 0.00 0.00 174.94 174.34 3mg1 s LYS 268 N 0.69 3.33 -0.02 2.79 2.20 -0.53 -0.23 119.74 127.98 3mg1 s LYS 268 Ca -0.11 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 3mg1 s LYS 268 Cb -0.14 -2.61 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 3mg1 s LYS 268 CO 0.01 0.24 -0.24 0.08 -0.36 0.00 0.00 175.35 175.08 3mg1 s VAL 269 N 0.29 1.89 0.17 4.02 1.01 -0.09 -1.00 120.40 126.70 3mg1 s VAL 269 Ca -0.10 -1.02 0.11 0.00 0.00 0.00 0.00 61.98 60.97 3mg1 s VAL 269 Cb -0.16 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3mg1 s VAL 269 CO 0.06 0.53 -0.23 0.42 0.00 0.00 0.00 175.10 175.88 3mg1 s THR 270 N -0.51 2.45 -0.92 3.92 -4.23 0.22 -0.41 115.64 116.17 3mg1 s THR 270 Ca 0.08 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 3mg1 s THR 270 Cb -0.10 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.59 3mg1 s THR 270 CO -0.00 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 3mg1 n GLY 271 N 0.40 -0.78 3.29 3.99 0.00 -0.47 -0.53 105.19 111.09 3mg1 n GLY 271 Ca -0.14 -0.32 -0.19 0.00 0.00 0.00 0.00 46.02 45.38 3mg1 n GLY 271 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg1 s LYS 272 N -0.41 1.17 0.01 1.61 1.02 -0.56 -1.25 119.74 121.32 3mg1 s LYS 272 Ca 0.00 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.62 3mg1 s LYS 272 Cb 0.00 -1.04 -0.01 0.00 -0.52 0.00 0.00 37.83 36.26 3mg1 s LYS 272 CO 0.00 0.19 -0.08 0.54 -0.92 0.00 0.00 175.35 175.08 3mg1 s VAL 273 N -2.44 0.58 -0.08 3.17 0.11 -0.36 -0.07 120.40 121.32 3mg1 s VAL 273 Ca 0.15 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.68 3mg1 s VAL 273 Cb -0.03 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 3mg1 s VAL 273 CO 0.05 0.01 -0.14 -1.10 -3.33 0.00 0.00 175.10 170.58 3mg1 s GLN 274 N -0.59 2.81 0.06 1.54 -0.21 -0.16 -1.47 119.66 121.65 3mg1 s GLN 274 Ca -0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 55.36 54.58 3mg1 s GLN 274 Cb -0.05 -2.46 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 3mg1 s GLN 274 CO 0.00 0.48 0.39 -0.08 -2.12 0.00 0.00 175.29 173.95 3mg1 s THR 275 N -0.34 5.11 0.12 -0.19 -1.32 -1.26 -1.88 115.64 115.88 3mg1 s THR 275 Ca 0.03 0.46 0.31 0.00 -1.21 0.00 0.00 61.69 61.28 3mg1 s THR 275 Cb -0.13 -3.64 0.31 0.00 -1.51 0.00 0.00 72.50 67.53 3mg1 s THR 275 CO 0.02 0.33 1.94 1.55 -2.21 0.00 0.00 174.62 176.26 3mg1 h PRO 276 N 3.85 0.00 0.00 7.08 0.13 -1.88 0.14 132.00 141.32 3mg1 h PRO 276 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3mg1 h PRO 276 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3mg1 h PRO 276 CO 0.66 0.00 -0.22 -1.49 -0.23 0.00 0.00 178.00 176.72 3mg1 h TRP 277 N 0.00 0.00 0.00 1.56 4.06 -1.93 -3.35 115.95 116.29 3mg1 h TRP 277 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3mg1 h TRP 277 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3mg1 h TRP 277 CO 0.00 0.22 -0.12 1.19 -3.56 0.00 0.00 178.44 176.17 3mg1 n PHE 278 N -3.68 0.00 -4.18 0.49 3.72 -0.60 -0.60 117.46 112.61 3mg1 n PHE 278 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3mg1 n PHE 278 Cb 0.34 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 3mg1 n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mg1 n GLY 279 N 0.63 2.67 0.00 1.37 0.00 0.39 -2.13 105.19 108.11 3mg1 n GLY 279 Ca 0.00 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.77 3mg1 n GLY 279 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg1 n GLY 280 N 0.00 -1.02 0.27 -0.02 0.00 -1.26 -3.22 105.19 99.93 3mg1 n GLY 280 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.07 3mg1 n GLY 280 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mg1 h ASN 281 N 0.00 0.00 -3.30 1.61 -0.26 -1.83 -3.39 115.58 108.41 3mg1 h ASN 281 Ca 0.00 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.22 3mg1 h ASN 281 Cb 0.21 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.08 3mg1 h ASN 281 CO 0.00 0.01 -0.77 -0.69 -1.06 0.00 0.00 177.43 174.92 3mg1 s VAL 282 N -3.60 0.69 -0.36 2.81 1.01 -1.20 -5.07 120.40 114.68 3mg1 s VAL 282 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3mg1 s VAL 282 Cb 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.45 3mg1 s VAL 282 CO 0.57 -0.03 0.21 -0.83 0.00 0.00 0.00 175.10 175.01 3mg1 s GLY 283 N 1.80 1.93 0.05 4.51 0.00 -1.26 -4.59 107.32 109.76 3mg1 s GLY 283 Ca 0.00 -1.65 -0.25 0.00 0.00 0.00 0.00 44.72 42.83 3mg1 s GLY 283 CO -0.07 0.82 0.77 1.06 0.00 0.00 0.00 173.10 175.68 3mg1 s MET 284 N 1.58 4.51 -0.24 2.90 -1.94 -0.54 -4.79 119.30 120.78 3mg1 s MET 284 Ca 0.03 1.09 -0.26 0.00 -1.71 0.00 0.00 55.69 54.83 3mg1 s MET 284 Cb -0.19 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.30 3mg1 s MET 284 CO 0.07 0.29 0.91 -0.80 -0.01 0.00 0.00 175.02 175.49 3mg1 s ASN 285 N -0.11 6.94 0.03 3.03 0.01 -1.26 -1.22 114.94 122.35 3mg1 s ASN 285 Ca 0.39 1.17 0.04 0.00 -0.71 0.00 0.00 52.86 53.75 3mg1 s ASN 285 Cb -0.21 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 3mg1 s ASN 285 CO 0.23 -0.58 -0.13 -0.63 -1.51 0.00 0.00 177.10 174.49 3mg1 s ILE 286 N 2.99 1.02 0.03 0.60 -1.09 -0.38 -0.83 121.20 123.54 3mg1 s ILE 286 Ca 0.38 -0.89 0.07 0.00 -2.23 0.00 0.00 60.65 57.98 3mg1 s ILE 286 Cb -0.15 -0.92 -0.03 0.00 -1.58 0.00 0.00 42.46 39.77 3mg1 s ILE 286 CO 0.07 0.03 -0.18 0.00 -1.23 0.00 0.00 174.94 173.63 3mg1 s ALA 287 N -0.76 2.60 -0.11 9.38 0.00 -0.23 -1.37 121.76 131.25 3mg1 s ALA 287 Ca 0.01 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.80 3mg1 s ALA 287 Cb -0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3mg1 s ALA 287 CO 0.01 0.57 -0.08 -1.58 0.00 0.00 0.00 175.76 174.68 3mg1 s TRP 288 N -0.90 2.92 -0.26 0.00 0.51 0.45 -0.66 118.94 121.00 3mg1 s TRP 288 Ca 0.14 -0.28 0.03 0.00 -2.12 0.00 0.00 56.10 53.87 3mg1 s TRP 288 Cb -0.10 -1.83 0.06 0.00 -0.81 0.00 0.00 33.47 30.79 3mg1 s TRP 288 CO 0.05 0.05 -0.09 1.03 -0.51 0.00 0.00 176.95 177.47 3mg1 s ARG 289 N -0.08 2.08 -0.11 4.98 0.52 0.27 -0.91 118.95 125.70 3mg1 s ARG 289 Ca 0.00 -1.29 -0.05 0.00 -0.52 0.00 0.00 55.73 53.87 3mg1 s ARG 289 Cb -0.13 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3mg1 s ARG 289 CO 0.03 -0.59 0.09 -0.06 0.02 0.00 0.00 175.30 174.80 3mg1 s PHE 290 N 1.16 3.44 -0.23 -0.53 0.08 0.68 -1.20 117.98 121.37 3mg1 s PHE 290 Ca -0.08 0.39 0.02 0.00 0.12 0.00 0.00 56.93 57.39 3mg1 s PHE 290 Cb -0.20 -1.91 0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3mg1 s PHE 290 CO -0.05 0.61 -0.13 -1.17 -0.10 0.00 0.00 175.22 174.37 3mg1 s LEU 291 N -0.87 3.01 -0.08 -0.37 2.96 0.44 -1.13 118.68 122.65 3mg1 s LEU 291 Ca 0.14 -1.17 -0.01 0.00 -0.22 0.00 0.00 54.13 52.87 3mg1 s LEU 291 Cb -0.12 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3mg1 s LEU 291 CO 0.03 -0.14 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.14 3mg1 s LEU 292 N 1.18 3.42 1.04 -0.68 1.43 0.24 -1.18 118.68 124.12 3mg1 s LEU 292 Ca -0.05 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 3mg1 s LEU 292 Cb -0.18 -1.77 0.22 0.00 0.03 0.00 0.00 46.19 44.49 3mg1 s LEU 292 CO -0.07 0.37 1.21 0.54 0.23 0.00 0.00 176.35 178.63 3mg1 s ASN 293 N -0.84 2.43 0.57 2.29 2.20 -0.11 -1.06 114.94 120.40 3mg1 s ASN 293 Ca 0.13 0.54 0.27 0.00 -0.94 0.00 0.00 52.86 52.86 3mg1 s ASN 293 Cb -0.11 -0.77 1.68 0.00 -2.00 0.00 0.00 41.25 40.05 3mg1 s ASN 293 CO 0.02 -3.18 2.21 -0.65 -2.94 0.00 0.00 177.10 172.56 3mg1 h PRO 294 N -1.94 0.00 -0.00 3.55 0.11 -1.86 -0.11 132.00 131.74 3mg1 h PRO 294 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mg1 h PRO 294 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3mg1 h PRO 294 CO 0.42 0.02 -0.10 0.39 -0.21 0.00 0.00 178.00 178.52 3mg1 n GLU 295 N -3.93 0.81 -0.35 1.05 4.71 -1.26 -4.92 120.64 116.76 3mg1 n GLU 295 Ca -0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 57.16 56.82 3mg1 n GLU 295 Cb 0.11 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 3mg1 n GLU 295 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3mg1 n GLY 296 N 1.25 0.77 3.81 0.62 0.00 -0.06 -5.07 105.19 106.52 3mg1 n GLY 296 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3mg1 n GLY 296 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mg1 s LYS 297 N -0.65 4.27 -0.42 1.61 -0.14 -1.26 -4.75 119.74 118.39 3mg1 s LYS 297 Ca 0.00 1.21 -0.29 0.00 -1.36 0.00 0.00 55.97 55.53 3mg1 s LYS 297 Cb 0.00 -2.33 0.02 0.00 -1.68 0.00 0.00 37.83 33.83 3mg1 s LYS 297 CO 0.00 -0.00 1.29 0.42 -0.76 0.00 0.00 175.35 176.30 3mg1 s ILE 298 N -2.00 4.05 0.01 2.17 1.01 0.83 -0.94 121.20 126.33 3mg1 s ILE 298 Ca 0.60 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3mg1 s ILE 298 Cb -0.13 -4.35 -0.26 0.00 0.01 0.00 0.00 42.46 37.73 3mg1 s ILE 298 CO 0.17 -0.81 0.87 0.15 0.00 0.00 0.00 174.94 175.32 3mg1 h PHE 299 N 9.95 0.34 -2.49 3.97 3.57 -1.47 -1.20 116.94 129.60 3mg1 h PHE 299 Ca -0.26 -0.25 -0.09 0.00 3.53 0.00 0.00 57.97 60.91 3mg1 h PHE 299 Cb 1.09 -0.01 -0.24 0.00 2.79 0.00 0.00 35.95 39.57 3mg1 h PHE 299 CO 0.96 1.30 -0.18 0.12 -2.23 0.00 0.00 178.31 178.28 3mg1 s PHE 300 N -2.62 -0.66 -0.05 0.41 5.36 -1.06 -1.40 117.98 117.95 3mg1 s PHE 300 Ca -0.08 1.45 0.01 0.00 -0.96 0.00 0.00 56.93 57.35 3mg1 s PHE 300 Cb 0.07 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.08 3mg1 s PHE 300 CO 0.84 -0.35 -0.05 0.54 -1.46 0.00 0.00 175.22 174.75 3mg1 s VAL 301 N 1.01 0.60 -0.03 3.12 0.11 -0.50 -0.42 120.40 124.30 3mg1 s VAL 301 Ca -0.06 -0.14 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 3mg1 s VAL 301 Cb -0.06 -0.63 -0.03 0.00 -1.53 0.00 0.00 36.38 34.13 3mg1 s VAL 301 CO -0.09 0.25 -0.01 0.00 -3.33 0.00 0.00 175.10 171.92 3mg1 s ALA 302 N 1.01 3.25 -0.18 1.54 0.00 -0.34 -0.33 121.76 126.71 3mg1 s ALA 302 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.97 3mg1 s ALA 302 Cb -0.14 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.62 3mg1 s ALA 302 CO -0.00 0.62 -0.19 0.42 0.00 0.00 0.00 175.76 176.61 3mg1 s ILE 303 N -1.00 2.16 -0.05 0.00 1.09 0.13 -0.56 121.20 122.97 3mg1 s ILE 303 Ca 0.17 -0.91 0.05 0.00 -1.10 0.00 0.00 60.65 58.86 3mg1 s ILE 303 Cb -0.11 -1.91 -0.02 0.00 -1.06 0.00 0.00 42.46 39.36 3mg1 s ILE 303 CO 0.07 0.53 -0.19 -1.81 -0.10 0.00 0.00 174.94 173.44 3mg1 s ASP 304 N 1.27 3.61 -0.25 3.58 1.01 0.16 -2.01 116.67 124.04 3mg1 s ASP 304 Ca 0.04 -0.33 -0.25 0.00 0.71 0.00 0.00 52.55 52.71 3mg1 s ASP 304 Cb -0.13 -0.78 -0.00 0.00 1.01 0.00 0.00 42.92 43.02 3mg1 s ASP 304 CO -0.11 0.31 0.88 -0.22 0.21 0.00 0.00 175.17 176.23 3mg1 s LEU 305 N -0.51 4.08 0.36 1.23 2.96 -1.26 -1.07 118.68 124.46 3mg1 s LEU 305 Ca 0.07 1.08 -0.22 0.00 -0.22 0.00 0.00 54.13 54.83 3mg1 s LEU 305 Cb -0.11 -3.26 -0.10 0.00 0.50 0.00 0.00 46.19 43.21 3mg1 s LEU 305 CO 0.01 -0.57 0.91 -0.76 -1.32 0.00 0.00 176.35 174.63 3mg1 s LEU 306 N 2.95 4.14 0.37 -0.68 1.43 -0.01 -0.50 118.68 126.38 3mg1 s LEU 306 Ca 0.37 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.20 3mg1 s LEU 306 Cb -0.15 -4.22 0.72 0.00 0.03 0.00 0.00 46.19 42.57 3mg1 s LEU 306 CO 0.08 -0.20 2.02 0.00 0.23 0.00 0.00 176.35 178.47 3mg1 h ALA 307 N 2.55 1.59 -2.93 4.21 0.00 -1.40 -3.38 119.26 119.90 3mg1 h ALA 307 Ca -0.48 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.45 3mg1 h ALA 307 Cb 1.18 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3mg1 h ALA 307 CO 0.63 0.37 0.27 -1.12 0.00 0.00 0.00 179.25 179.40 3mg1 s SER 308 N -6.57 -0.20 0.57 0.00 0.01 -1.26 -4.86 113.70 101.38 3mg1 s SER 308 Ca -0.09 -0.68 0.37 0.00 1.31 0.00 0.00 55.95 56.86 3mg1 s SER 308 Cb 0.17 0.72 1.80 0.00 0.21 0.00 0.00 66.02 68.93 3mg1 s SER 308 CO 0.75 -1.36 2.12 -0.65 0.41 0.00 0.00 173.24 174.51 3mg1 h PRO 309 N 2.00 0.00 0.00 12.44 0.11 -1.98 -2.03 132.00 142.54 3mg1 h PRO 309 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3mg1 h PRO 309 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3mg1 h PRO 309 CO 0.26 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.68 3mg1 n LYS 310 N -2.98 0.18 0.00 1.05 4.76 -1.26 -5.18 118.16 114.73 3mg1 n LYS 310 Ca -0.01 0.16 0.13 0.00 -2.87 0.00 0.00 58.31 55.72 3mg1 n LYS 310 Cb 0.18 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.16 3mg1 n LYS 310 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42