#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mel s ARG 3 N 0.00 1.86 -0.12 1.43 0.52 -1.26 0.08 118.95 121.46 3mel s ARG 3 Ca 0.00 -0.56 -0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3mel s ARG 3 Cb 0.00 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 3mel s ARG 3 CO 0.00 -0.34 -0.07 0.08 0.02 0.00 0.00 175.30 174.99 3mel s VAL 4 N 1.54 3.68 -0.25 3.52 1.01 -0.50 -0.34 120.40 129.06 3mel s VAL 4 Ca 0.02 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3mel s VAL 4 Cb -0.14 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 3mel s VAL 4 CO -0.09 0.54 0.16 -0.22 0.00 0.00 0.00 175.10 175.49 3mel s LEU 5 N -0.07 4.03 -0.15 3.92 2.96 -0.92 -0.75 118.68 127.69 3mel s LEU 5 Ca 0.01 0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3mel s LEU 5 Cb -0.13 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3mel s LEU 5 CO 0.03 0.03 0.03 -0.76 -1.32 0.00 0.00 176.35 174.36 3mel s LEU 6 N 1.27 3.64 -0.25 -0.68 1.02 -0.61 -0.77 118.68 122.31 3mel s LEU 6 Ca 0.07 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.29 3mel s LEU 6 Cb -0.14 -1.89 0.05 0.00 0.02 0.00 0.00 46.19 44.22 3mel s LEU 6 CO 0.06 0.22 -0.11 -0.69 0.02 0.00 0.00 176.35 175.86 3mel s VAL 7 N 0.05 2.31 0.59 -1.59 1.01 -0.56 -0.57 120.40 121.63 3mel s VAL 7 Ca 0.04 -1.40 0.07 0.00 0.00 0.00 0.00 61.98 60.68 3mel s VAL 7 Cb -0.13 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.08 3mel s VAL 7 CO 0.01 0.10 0.81 0.00 0.00 0.00 0.00 175.10 176.03 3mel s ALA 8 N 1.18 4.46 0.13 5.51 0.00 -0.63 -0.55 121.76 131.85 3mel s ALA 8 Ca -0.05 -1.99 0.33 0.00 0.00 0.00 0.00 51.96 50.26 3mel s ALA 8 Cb -0.18 -1.61 1.64 0.00 0.00 0.00 0.00 23.12 22.96 3mel s ALA 8 CO -0.06 -0.93 2.00 0.78 0.00 0.00 0.00 175.76 177.55 3mel h GLY 9 N 0.07 0.00 -1.73 0.00 0.00 -1.68 -3.36 103.07 96.37 3mel h GLY 9 Ca -0.33 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.52 3mel h GLY 9 CO 0.41 0.00 -1.16 0.61 0.00 0.00 0.00 176.54 176.40 3mel n GLY 10 N -0.68 -2.54 3.71 4.60 0.00 -0.85 -4.78 105.19 104.65 3mel n GLY 10 Ca -0.01 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3mel n GLY 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3mel s ASN 11 N -1.76 6.89 0.00 1.61 3.84 -1.26 -4.87 114.94 119.40 3mel s ASN 11 Ca 0.53 2.20 0.07 0.00 0.21 0.00 0.00 52.86 55.87 3mel s ASN 11 Cb -0.12 -2.58 0.28 0.00 -0.55 0.00 0.00 41.25 38.28 3mel s ASN 11 CO 0.67 -0.63 1.19 -2.65 -2.79 0.00 0.00 177.10 172.90 3mel n PRO 12 N 4.30 0.01 0.20 0.43 -0.02 -1.26 -1.49 135.00 137.17 3mel n PRO 12 Ca 0.11 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.10 3mel n PRO 12 Cb 0.44 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.83 3mel n PRO 12 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3mel h SER 13 N 0.00 0.00 0.07 2.55 0.02 -2.00 -2.77 113.55 111.41 3mel h SER 13 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mel h SER 13 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3mel h SER 13 CO 0.00 0.00 -0.19 0.47 -1.14 0.00 0.00 176.83 175.97 3mel n ASP 14 N -2.79 1.69 -4.75 3.07 8.00 -0.55 -4.79 116.55 116.42 3mel n ASP 14 Ca 0.03 -1.37 -0.37 0.00 0.71 0.00 0.00 54.79 53.79 3mel n ASP 14 Cb 0.40 0.14 0.04 0.00 -0.02 0.00 0.00 41.12 41.68 3mel n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3mel s TRP 15 N -2.27 2.35 1.15 1.24 0.52 -1.05 0.12 118.94 121.00 3mel s TRP 15 Ca 0.28 1.48 -0.16 0.00 0.02 0.00 0.00 56.10 57.72 3mel s TRP 15 Cb 0.20 -3.59 0.26 0.00 -1.15 0.00 0.00 33.47 29.19 3mel s TRP 15 CO 0.44 -2.45 1.07 -2.14 0.02 0.00 0.00 176.95 173.88 3mel s PRO 16 N -3.18 -0.79 -0.08 4.98 0.02 -1.26 -3.31 135.00 131.38 3mel s PRO 16 Ca 0.76 0.33 -0.30 0.00 0.02 0.00 0.00 61.00 61.81 3mel s PRO 16 Cb -0.34 -1.61 -0.05 0.00 0.02 0.00 0.00 34.50 32.52 3mel s PRO 16 CO 0.38 -3.51 1.61 0.99 -0.33 0.00 0.00 177.00 176.14 3mel s THR 17 N -2.81 3.66 -0.20 0.99 2.01 -1.26 -4.89 115.64 113.14 3mel s THR 17 Ca 0.68 0.80 -0.09 0.00 0.31 0.00 0.00 61.69 63.39 3mel s THR 17 Cb -0.16 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3mel s THR 17 CO 0.58 -0.09 0.10 -0.51 -0.69 0.00 0.00 174.62 174.02 3mel s ILE 18 N 4.09 5.04 -0.34 1.82 1.10 -1.26 -5.06 121.20 126.60 3mel s ILE 18 Ca 0.71 0.06 0.03 0.00 -0.51 0.00 0.00 60.65 60.94 3mel s ILE 18 Cb -0.31 -3.30 0.10 0.00 0.15 0.00 0.00 42.46 39.10 3mel s ILE 18 CO 0.28 0.43 0.08 -1.61 -2.11 0.00 0.00 174.94 172.00 3mel s GLU 19 N 0.54 1.26 0.54 3.50 2.02 -1.26 -5.01 118.70 120.29 3mel s GLU 19 Ca 0.05 -1.66 0.29 0.00 0.02 0.00 0.00 54.97 53.67 3mel s GLU 19 Cb -0.12 -2.82 1.58 0.00 0.10 0.00 0.00 34.13 32.86 3mel s GLU 19 CO 0.00 -0.96 2.12 -1.35 0.02 0.00 0.00 175.26 175.09 3mel h PRO 20 N 7.70 0.00 -0.02 0.39 0.11 -1.97 -1.15 132.00 137.06 3mel h PRO 20 Ca -0.07 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.05 3mel h PRO 20 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3mel h PRO 20 CO 0.51 0.09 0.02 0.00 -0.21 0.00 0.00 178.00 178.41 3mel h ALA 21 N 1.91 1.73 -0.62 -0.75 0.00 -2.05 -2.49 119.26 117.00 3mel h ALA 21 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mel h ALA 21 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mel h ALA 21 CO 0.01 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.48 3mel n THR 22 N -4.09 1.29 -4.88 0.00 -2.24 -0.43 -4.83 114.28 99.09 3mel n THR 22 Ca -0.02 -0.97 -0.26 0.00 -2.27 0.00 0.00 64.05 60.52 3mel n THR 22 Cb 0.11 0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 3mel n THR 22 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3mel s TYR 23 N -1.50 1.82 -0.12 4.78 2.02 -0.94 -4.63 117.35 118.77 3mel s TYR 23 Ca 0.45 -0.35 0.15 0.00 -0.37 0.00 0.00 57.07 56.94 3mel s TYR 23 Cb 0.26 -1.15 -0.21 0.00 -0.40 0.00 0.00 41.96 40.47 3mel s TYR 23 CO 0.26 0.01 0.13 -0.25 -1.57 0.00 0.00 175.55 174.13 3mel n ASP 24 N 2.34 1.08 -3.86 2.29 8.00 0.54 -4.97 116.55 121.96 3mel n ASP 24 Ca -0.16 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.22 3mel n ASP 24 Cb 0.53 1.11 -0.14 0.00 -0.02 0.00 0.00 41.12 42.60 3mel n ASP 24 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3mel s TYR 25 N -2.58 -0.01 -0.19 1.24 5.04 -1.17 -5.06 117.35 114.62 3mel s TYR 25 Ca -0.07 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.60 3mel s TYR 25 Cb 0.06 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.39 3mel s TYR 25 CO 0.67 -0.01 -0.13 -0.06 -1.34 0.00 0.00 175.55 174.67 3mel s PHE 26 N 0.10 2.57 -0.16 4.97 0.08 -1.26 -2.16 117.98 122.11 3mel s PHE 26 Ca -0.01 -1.64 -0.07 0.00 0.12 0.00 0.00 56.93 55.33 3mel s PHE 26 Cb -0.01 -1.73 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3mel s PHE 26 CO -0.00 -0.76 0.09 0.08 -0.10 0.00 0.00 175.22 174.52 3mel s VAL 27 N 1.35 5.03 -0.20 -0.44 1.01 0.05 -1.34 120.40 125.86 3mel s VAL 27 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 3mel s VAL 27 Cb -0.15 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3mel s VAL 27 CO -0.09 0.51 0.11 -0.83 0.00 0.00 0.00 175.10 174.79 3mel s GLY 28 N -0.08 1.97 -0.26 4.51 0.00 0.29 -1.50 107.32 112.24 3mel s GLY 28 Ca 0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 43.95 3mel s GLY 28 CO 0.01 0.17 0.10 -0.42 0.00 0.00 0.00 173.10 172.96 3mel s ILE 29 N 0.55 4.51 0.00 0.90 1.01 0.28 -0.70 121.20 127.75 3mel s ILE 29 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.58 3mel s ILE 29 Cb -0.12 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.22 3mel s ILE 29 CO 0.00 0.30 0.00 0.47 0.00 0.00 0.00 174.94 175.72 3mel n ASP 30 N 4.95 0.00 0.11 3.58 9.92 0.07 0.55 116.55 135.73 3mel n ASP 30 Ca -0.16 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.23 3mel n ASP 30 Cb 0.51 0.00 0.44 0.00 -0.64 0.00 0.00 41.12 41.44 3mel n ASP 30 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3mel n ARG 31 N 0.00 0.23 0.25 -1.24 0.63 -1.26 -2.34 116.66 112.94 3mel n ARG 31 Ca 0.00 0.29 0.13 0.00 -0.92 0.00 0.00 57.85 57.35 3mel n ARG 31 Cb 0.00 -1.82 0.79 0.00 0.45 0.00 0.00 32.46 31.88 3mel n ARG 31 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3mel h GLY 32 N 3.67 0.00 0.85 5.14 0.00 -0.00 -1.21 103.07 111.51 3mel h GLY 32 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 3mel h GLY 32 CO 0.00 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.57 3mel h LEU 34 N 0.08 0.64 -0.42 0.00 3.38 -1.50 -1.81 115.31 115.69 3mel h LEU 34 Ca 0.06 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3mel h LEU 34 Cb 0.05 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3mel h LEU 34 CO -0.08 0.83 -0.10 0.45 0.09 0.00 0.00 178.44 179.63 3mel h HIS 35 N 0.57 0.92 0.07 1.13 3.86 -0.62 0.37 115.15 121.45 3mel h HIS 35 Ca 0.09 -0.20 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 3mel h HIS 35 Cb 0.64 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3mel h HIS 35 CO 0.03 0.93 -0.03 -0.07 0.86 0.00 0.00 177.93 179.64 3mel h LEU 36 N 0.64 -0.08 0.37 2.43 3.38 0.49 -2.66 115.31 119.88 3mel h LEU 36 Ca 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mel h LEU 36 Cb 0.63 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3mel h LEU 36 CO 0.04 0.05 -0.25 -0.07 0.09 0.00 0.00 178.44 178.31 3mel h LEU 37 N -0.21 -0.63 -0.05 1.67 3.38 -1.09 -0.89 115.31 117.49 3mel h LEU 37 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mel h LEU 37 Cb 0.18 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3mel h LEU 37 CO 0.02 -0.39 0.00 -1.84 0.09 0.00 0.00 178.44 176.32 3mel n GLU 38 N -5.38 0.01 -0.41 1.13 0.28 0.13 -0.81 120.64 115.58 3mel n GLU 38 Ca -0.10 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.45 3mel n GLU 38 Cb 0.28 -1.52 0.33 0.00 1.43 0.00 0.00 31.44 31.96 3mel n GLU 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mel n ALA 39 N -1.51 2.48 -3.93 -1.84 0.00 -0.39 -4.96 120.51 110.35 3mel n ALA 39 Ca 0.01 -1.33 -0.26 0.00 0.00 0.00 0.00 53.44 51.86 3mel n ALA 39 Cb 0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 3mel n ALA 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mel n ASP 40 N 1.59 -0.78 -4.37 0.00 9.92 0.01 -5.00 116.55 117.92 3mel n ASP 40 Ca 0.25 -0.97 -0.26 0.00 -0.53 0.00 0.00 54.79 53.28 3mel n ASP 40 Cb 0.66 -3.22 -0.12 0.00 -0.64 0.00 0.00 41.12 37.80 3mel n ASP 40 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3mel s LEU 41 N -6.95 2.36 1.03 0.64 1.43 -0.87 -5.05 118.68 111.28 3mel s LEU 41 Ca 0.07 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 3mel s LEU 41 Cb -0.04 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.23 3mel s LEU 41 CO 0.88 0.10 0.52 -2.65 0.23 0.00 0.00 176.35 175.43 3mel n PRO 42 N 0.68 -1.05 -3.41 1.29 -0.02 -1.26 -4.24 135.00 126.98 3mel n PRO 42 Ca -0.16 -0.27 -0.20 0.00 -2.02 0.00 0.00 63.50 60.85 3mel n PRO 42 Cb 0.55 -1.95 -0.10 0.00 -0.02 0.00 0.00 33.50 31.97 3mel n PRO 42 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mel s LEU 43 N -3.11 -0.01 -0.16 2.45 2.96 -1.26 -4.75 118.68 114.79 3mel s LEU 43 Ca 0.60 -1.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.32 3mel s LEU 43 Cb -0.20 0.34 -0.23 0.00 0.50 0.00 0.00 46.19 46.61 3mel s LEU 43 CO 0.65 -0.36 0.21 0.00 -1.32 0.00 0.00 176.35 175.53 3mel n GLN 44 N 4.97 0.71 -4.70 1.98 3.00 -0.45 -3.25 117.38 119.64 3mel n GLN 44 Ca 0.01 0.29 -0.30 0.00 -0.01 0.00 0.00 57.00 57.00 3mel n GLN 44 Cb 0.45 -1.67 -0.14 0.00 0.00 0.00 0.00 30.24 28.87 3mel n GLN 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3mel s LEU 45 N -7.11 2.23 -0.09 1.08 2.96 -1.09 -1.11 118.68 115.55 3mel s LEU 45 Ca -0.26 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 52.98 3mel s LEU 45 Cb 0.07 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.55 3mel s LEU 45 CO 0.70 0.22 0.03 0.00 -1.32 0.00 0.00 176.35 175.99 3mel s ALA 46 N -0.90 0.56 0.01 5.97 0.00 0.46 -0.55 121.76 127.30 3mel s ALA 46 Ca 0.12 -0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.01 3mel s ALA 46 Cb -0.10 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3mel s ALA 46 CO 0.04 -0.64 -0.14 0.08 0.00 0.00 0.00 175.76 175.10 3mel s VAL 47 N 2.04 1.09 -5.00 0.00 1.01 0.12 -0.81 120.40 118.86 3mel s VAL 47 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3mel s VAL 47 Cb -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3mel s VAL 47 CO -0.05 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3mel n GLY 48 N 2.32 0.89 0.08 4.51 0.00 -1.19 -0.75 105.19 111.04 3mel n GLY 48 Ca -0.16 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.02 3mel n GLY 48 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mel n ASP 49 N 2.83 0.49 -0.82 1.61 5.68 -1.26 0.10 116.55 125.18 3mel n ASP 49 Ca 0.00 0.21 -0.11 0.00 -0.50 0.00 0.00 54.79 54.39 3mel n ASP 49 Cb 0.00 0.82 -0.05 0.00 -1.14 0.00 0.00 41.12 40.76 3mel n ASP 49 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3mel n PHE 50 N -2.67 0.00 1.42 2.11 3.72 -1.26 -4.83 117.46 115.95 3mel n PHE 50 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.31 3mel n PHE 50 Cb 0.77 -2.20 0.10 0.00 -0.94 0.00 0.00 39.48 37.21 3mel n PHE 50 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3mel n ASP 51 N -0.29 0.00 -0.72 4.37 5.75 -1.26 -2.07 116.55 122.33 3mel n ASP 51 Ca -0.11 -1.32 0.07 0.00 -0.01 0.00 0.00 54.79 53.43 3mel n ASP 51 Cb 0.42 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.65 3mel n ASP 51 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mel n SER 52 N -0.57 2.77 -4.49 -1.12 3.41 -1.26 -4.99 113.62 107.37 3mel n SER 52 Ca 0.02 -1.83 -0.30 0.00 -0.26 0.00 0.00 58.87 56.50 3mel n SER 52 Cb 0.01 -0.17 -0.12 0.00 -0.26 0.00 0.00 64.21 63.67 3mel n SER 52 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mel s LEU 53 N -1.09 2.73 0.71 1.04 1.43 -0.88 -5.01 118.68 117.61 3mel s LEU 53 Ca 0.24 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3mel s LEU 53 Cb 0.14 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.80 3mel s LEU 53 CO 0.19 0.23 1.17 -0.94 0.23 0.00 0.00 176.35 177.23 3mel s SER 54 N -1.74 4.52 0.26 2.29 1.04 -1.26 -4.77 113.70 114.04 3mel s SER 54 Ca 0.17 2.22 -0.03 0.00 0.48 0.00 0.00 55.95 58.79 3mel s SER 54 Cb -0.11 -2.57 0.41 0.00 0.10 0.00 0.00 66.02 63.84 3mel s SER 54 CO 0.08 -2.04 1.85 -0.09 0.98 0.00 0.00 173.24 174.01 3mel h ARG 55 N -0.19 0.95 0.00 4.02 2.43 -1.98 0.24 114.38 119.85 3mel h ARG 55 Ca -0.47 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.62 3mel h ARG 55 Cb 1.28 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3mel h ARG 55 CO 0.51 0.63 -0.10 1.49 -1.51 0.00 0.00 179.97 180.99 3mel h GLU 56 N 0.98 0.00 0.13 0.20 4.81 -2.00 -1.11 114.58 117.59 3mel h GLU 56 Ca 0.42 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.34 3mel h GLU 56 Cb 0.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 3mel h GLU 56 CO -0.21 0.10 -1.49 0.93 -0.73 0.00 0.00 179.01 177.61 3mel h GLU 57 N 0.00 0.27 0.00 1.92 5.08 -1.28 -3.10 114.58 117.48 3mel h GLU 57 Ca -0.00 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 3mel h GLU 57 Cb 0.22 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3mel h GLU 57 CO 0.01 1.15 -0.41 -0.92 -1.00 0.00 0.00 179.01 177.85 3mel h TYR 58 N 0.07 0.00 -0.03 4.33 3.20 -0.19 -1.32 116.97 123.03 3mel h TYR 58 Ca -0.23 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.55 3mel h TYR 58 Cb 2.02 0.00 0.01 0.00 1.54 0.00 0.00 36.73 40.29 3mel h TYR 58 CO 0.07 0.41 -0.32 0.45 -1.64 0.00 0.00 178.16 177.12 3mel h HIS 59 N 0.00 0.39 -0.30 -3.82 3.86 -1.35 0.61 115.15 114.54 3mel h HIS 59 Ca -0.00 -0.19 0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3mel h HIS 59 Cb 1.00 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.34 3mel h HIS 59 CO 0.00 0.95 -0.27 0.35 0.86 0.00 0.00 177.93 179.82 3mel h PHE 60 N -0.28 -0.71 -0.38 2.45 3.57 -1.44 0.19 116.94 120.33 3mel h PHE 60 Ca -0.03 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3mel h PHE 60 Cb 1.01 0.36 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 3mel h PHE 60 CO 0.15 -0.34 0.19 0.28 -2.23 0.00 0.00 178.31 176.36 3mel h VAL 61 N -0.25 0.99 -0.94 1.41 2.07 -1.26 -2.74 116.25 115.53 3mel h VAL 61 Ca 0.15 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3mel h VAL 61 Cb 0.49 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 3mel h VAL 61 CO -0.44 0.07 0.55 -0.61 0.02 0.00 0.00 177.57 177.17 3mel h GLN 62 N 0.40 0.81 0.00 1.57 4.15 0.74 -1.87 115.11 120.91 3mel h GLN 62 Ca 0.16 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.53 3mel h GLN 62 Cb 0.06 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.57 3mel h GLN 62 CO -0.11 0.54 0.00 0.39 -1.93 0.00 0.00 178.83 177.72 3mel n GLU 63 N -4.73 0.23 -0.06 1.69 -0.58 0.52 -4.36 120.64 113.36 3mel n GLU 63 Ca 0.18 0.33 -0.12 0.00 -0.42 0.00 0.00 57.16 57.13 3mel n GLU 63 Cb 0.40 -1.85 -0.04 0.00 -0.57 0.00 0.00 31.44 29.38 3mel n GLU 63 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3mel n THR 64 N -2.26 0.82 -1.58 2.62 -1.04 -0.74 -4.99 114.28 107.11 3mel n THR 64 Ca 0.04 -0.10 -0.45 0.00 -2.04 0.00 0.00 64.05 61.50 3mel n THR 64 Cb 0.32 -1.72 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 3mel n THR 64 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 3mel n THR 65 N -3.64 1.99 0.90 12.58 5.66 -0.97 -4.86 114.28 125.94 3mel n THR 65 Ca -0.22 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.42 3mel n THR 65 Cb 0.60 -0.97 0.56 0.00 -1.55 0.00 0.00 70.33 68.98 3mel n THR 65 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3mel n GLU 66 N 0.73 0.07 -3.67 1.09 1.02 -1.15 -4.74 120.64 113.99 3mel n GLU 66 Ca 0.10 0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.21 3mel n GLU 66 Cb 0.32 -1.58 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 3mel n GLU 66 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3mel s THR 67 N -3.03 -0.43 -0.26 2.62 2.01 -0.27 -5.00 115.64 111.29 3mel s THR 67 Ca 0.13 0.12 -0.04 0.00 0.31 0.00 0.00 61.69 62.22 3mel s THR 67 Cb 0.17 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 72.01 3mel s THR 67 CO 0.55 0.05 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.30 3mel s LEU 68 N 2.18 3.42 -0.32 4.42 2.96 -1.26 -0.41 118.68 129.67 3mel s LEU 68 Ca -0.05 -0.78 -0.12 0.00 -0.22 0.00 0.00 54.13 52.96 3mel s LEU 68 Cb -0.10 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3mel s LEU 68 CO -0.14 -0.14 0.23 -0.63 -1.32 0.00 0.00 176.35 174.35 3mel s ILE 69 N 1.40 5.27 -0.26 6.68 1.01 0.01 -4.97 121.20 130.35 3mel s ILE 69 Ca 0.01 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3mel s ILE 69 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3mel s ILE 69 CO -0.02 0.06 0.14 -1.58 0.00 0.00 0.00 174.94 173.54 3mel s GLN 70 N 1.73 3.87 0.40 2.79 2.00 -1.26 -3.14 119.66 126.05 3mel s GLN 70 Ca 0.06 -0.36 0.05 0.00 -2.00 0.00 0.00 55.36 53.11 3mel s GLN 70 Cb -0.17 -3.51 0.00 0.00 0.80 0.00 0.00 33.01 30.13 3mel s GLN 70 CO 0.11 -0.13 0.57 0.00 -0.50 0.00 0.00 175.29 175.34 3mel s ALA 71 N 1.55 4.13 1.25 1.58 0.00 0.11 -4.99 121.76 125.40 3mel s ALA 71 Ca 0.07 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.44 3mel s ALA 71 Cb -0.15 -1.83 0.30 0.00 0.00 0.00 0.00 23.12 21.44 3mel s ALA 71 CO 0.07 -0.24 1.08 -2.30 0.00 0.00 0.00 175.76 174.37 3mel n PRO 72 N -1.86 -3.13 -0.02 0.00 -0.02 -1.26 -4.46 135.00 124.24 3mel n PRO 72 Ca 0.03 -1.73 -0.18 0.00 -2.02 0.00 0.00 63.50 59.60 3mel n PRO 72 Cb 0.58 -1.62 -0.14 0.00 -0.02 0.00 0.00 33.50 32.31 3mel n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mel n ALA 73 N -4.85 1.09 -3.20 3.55 0.00 -1.26 -4.49 120.51 111.34 3mel n ALA 73 Ca -0.20 -0.72 -0.45 0.00 0.00 0.00 0.00 53.44 52.06 3mel n ALA 73 Cb 0.58 -0.61 -0.04 0.00 0.00 0.00 0.00 19.45 19.38 3mel n ALA 73 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3mel s GLU 74 N -2.56 3.10 0.30 0.00 2.56 -1.26 -5.01 118.70 115.83 3mel s GLU 74 Ca -0.21 -1.59 -0.04 0.00 0.00 0.00 0.00 54.97 53.13 3mel s GLU 74 Cb 0.07 -4.32 -0.01 0.00 2.00 0.00 0.00 34.13 31.88 3mel s GLU 74 CO 0.76 -1.45 0.42 -1.59 -0.56 0.00 0.00 175.26 172.84 3mel s LYS 75 N 2.05 1.73 -0.02 4.30 0.00 -1.26 -5.10 119.74 121.43 3mel s LYS 75 Ca 0.10 -1.64 -0.06 0.00 0.00 0.00 0.00 55.97 54.37 3mel s LYS 75 Cb -0.24 0.42 -0.03 0.00 0.00 0.00 0.00 37.83 37.98 3mel s LYS 75 CO 0.03 -0.70 0.42 -0.44 0.00 0.00 0.00 175.35 174.66 3mel h ASP 76 N 2.21 -0.18 -3.78 0.03 3.32 -2.00 -3.46 116.42 112.56 3mel h ASP 76 Ca -0.29 0.01 -0.53 0.00 0.02 0.00 0.00 57.03 56.24 3mel h ASP 76 Cb 1.24 0.05 0.07 0.00 0.22 0.00 0.00 39.33 40.91 3mel h ASP 76 CO 0.40 0.03 0.69 -1.81 -1.72 0.00 0.00 179.24 176.83 3mel s ASP 77 N -3.81 6.67 0.94 6.45 1.01 -1.26 -5.01 116.67 121.67 3mel s ASP 77 Ca -0.03 2.75 -0.10 0.00 0.71 0.00 0.00 52.55 55.87 3mel s ASP 77 Cb 0.00 -2.65 0.16 0.00 1.01 0.00 0.00 42.92 41.45 3mel s ASP 77 CO 0.09 -0.63 1.13 0.28 0.21 0.00 0.00 175.17 176.26 3mel s THR 78 N -0.87 2.05 0.43 -1.27 -1.32 -1.26 -4.89 115.64 108.50 3mel s THR 78 Ca 0.52 0.02 0.14 0.00 -1.21 0.00 0.00 61.69 61.16 3mel s THR 78 Cb -0.41 -2.04 0.34 0.00 -1.51 0.00 0.00 72.50 68.88 3mel s THR 78 CO 0.52 -0.02 1.95 0.44 -2.21 0.00 0.00 174.62 175.30 3mel h ASP 79 N -1.96 0.40 0.02 8.08 3.32 -1.95 -2.93 116.42 121.39 3mel h ASP 79 Ca -0.45 0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.35 3mel h ASP 79 Cb 1.28 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.78 3mel h ASP 79 CO 0.42 0.22 -1.04 0.74 -1.72 0.00 0.00 179.24 177.86 3mel h THR 80 N 0.43 1.29 -0.75 0.35 2.02 -1.94 -0.99 112.91 113.32 3mel h THR 80 Ca 0.33 -2.26 0.12 0.00 0.77 0.00 0.00 66.41 65.36 3mel h THR 80 Cb 0.68 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 3mel h THR 80 CO -0.10 0.70 0.50 1.56 0.37 0.00 0.00 175.52 178.54 3mel h GLN 81 N 0.34 0.53 -0.01 6.66 4.20 -1.90 -2.16 115.11 122.77 3mel h GLN 81 Ca -0.14 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 3mel h GLN 81 Cb 1.70 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.36 3mel h GLN 81 CO 0.20 0.35 -0.02 1.25 -0.67 0.00 0.00 178.83 179.95 3mel h LEU 82 N 0.55 0.04 -1.34 1.46 5.85 -1.29 -0.89 115.31 119.70 3mel h LEU 82 Ca 0.36 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.65 3mel h LEU 82 Cb 0.64 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3mel h LEU 82 CO -0.13 0.53 0.50 0.00 -0.34 0.00 0.00 178.44 179.01 3mel h ALA 83 N 0.51 1.70 -0.12 1.25 0.00 -0.87 0.42 119.26 122.15 3mel h ALA 83 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3mel h ALA 83 Cb 0.52 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mel h ALA 83 CO 0.00 0.17 -0.52 1.25 0.00 0.00 0.00 179.25 180.16 3mel h LEU 84 N 0.78 0.66 -0.35 0.00 5.85 -1.35 -0.02 115.31 120.89 3mel h LEU 84 Ca 0.34 -0.63 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3mel h LEU 84 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3mel h LEU 84 CO -0.12 1.18 0.16 -0.61 -0.34 0.00 0.00 178.44 178.72 3mel h GLN 85 N 0.19 0.33 -0.24 1.25 4.15 -0.30 -1.66 115.11 118.82 3mel h GLN 85 Ca -0.03 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 3mel h GLN 85 Cb 1.16 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3mel h GLN 85 CO 0.11 0.22 -0.15 0.93 -1.93 0.00 0.00 178.83 178.01 3mel h GLU 86 N 0.34 0.53 -0.47 1.69 4.39 -0.89 -2.51 114.58 117.65 3mel h GLU 86 Ca 0.15 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 3mel h GLU 86 Cb 0.08 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3mel h GLU 86 CO -0.12 0.81 0.19 0.00 -1.16 0.00 0.00 179.01 178.73 3mel h ALA 87 N 0.71 1.46 0.00 3.43 0.00 -0.93 -0.46 119.26 123.46 3mel h ALA 87 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3mel h ALA 87 Cb 0.67 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3mel h ALA 87 CO 0.04 0.42 -0.17 -0.07 0.00 0.00 0.00 179.25 179.47 3mel h LEU 88 N 0.66 0.00 0.27 0.00 3.38 -1.22 0.54 115.31 118.95 3mel h LEU 88 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3mel h LEU 88 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3mel h LEU 88 CO -0.02 0.17 -0.13 1.56 0.09 0.00 0.00 178.44 180.11 3mel h GLN 89 N 0.00 -0.35 0.00 1.13 4.20 -0.63 -2.22 115.11 117.24 3mel h GLN 89 Ca -0.00 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3mel h GLN 89 Cb 0.49 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3mel h GLN 89 CO 0.02 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.16 3mel h ARG 90 N -0.83 0.00 -1.59 1.46 3.08 -1.34 -3.35 114.38 111.80 3mel h ARG 90 Ca -0.04 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.57 3mel h ARG 90 Cb 0.51 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.22 3mel h ARG 90 CO 0.06 0.03 -1.03 1.19 -1.07 0.00 0.00 179.97 179.15 3mel n PHE 91 N -4.20 -0.56 0.14 3.04 3.72 0.17 -4.99 117.46 114.77 3mel n PHE 91 Ca -0.03 -3.41 0.19 0.00 -0.05 0.00 0.00 57.45 54.15 3mel n PHE 91 Cb 0.11 0.01 0.78 0.00 -0.94 0.00 0.00 39.48 39.44 3mel n PHE 91 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mel h PRO 92 N 3.22 0.00 -0.39 -1.08 0.11 -1.54 -0.67 132.00 131.65 3mel h PRO 92 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3mel h PRO 92 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3mel h PRO 92 CO 0.43 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.26 3mel n GLN 93 N -3.85 2.93 -2.98 1.05 3.00 -1.26 -5.04 117.38 111.23 3mel n GLN 93 Ca 0.05 -2.28 -0.28 0.00 -0.01 0.00 0.00 57.00 54.48 3mel n GLN 93 Cb 0.47 -1.42 -0.02 0.00 0.00 0.00 0.00 30.24 29.27 3mel n GLN 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3mel s ALA 94 N -1.33 3.49 1.00 -1.58 0.00 -0.26 -4.49 121.76 118.59 3mel s ALA 94 Ca 0.30 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3mel s ALA 94 Cb 0.18 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.83 3mel s ALA 94 CO 0.17 -0.06 0.00 -1.91 0.00 0.00 0.00 175.76 173.95 3mel n GLU 95 N -1.61 0.79 -3.09 0.00 2.13 0.11 -4.84 120.64 114.14 3mel n GLU 95 Ca -0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.86 3mel n GLU 95 Cb 0.55 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.26 3mel n GLU 95 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3mel s THR 97 N -0.18 -0.33 0.20 6.31 2.01 0.07 -1.41 115.64 122.30 3mel s THR 97 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 3mel s THR 97 Cb 0.00 -0.26 -0.08 0.00 0.01 0.00 0.00 72.50 72.17 3mel s THR 97 CO 0.00 0.00 0.92 -0.63 -0.69 0.00 0.00 174.62 174.22 3mel s ILE 98 N 2.74 4.22 0.17 1.82 1.01 0.20 -1.57 121.20 129.80 3mel s ILE 98 Ca 0.24 2.03 0.01 0.00 0.00 0.00 0.00 60.65 62.93 3mel s ILE 98 Cb -0.02 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 3mel s ILE 98 CO -0.21 0.46 0.02 -0.63 0.00 0.00 0.00 174.94 174.57 3mel s ILE 99 N -0.88 0.57 -1.22 2.92 -1.09 0.26 -0.89 121.20 120.87 3mel s ILE 99 Ca 0.42 -1.97 -0.06 0.00 -2.23 0.00 0.00 60.65 56.80 3mel s ILE 99 Cb -0.25 -2.16 0.05 0.00 -1.58 0.00 0.00 42.46 38.52 3mel s ILE 99 CO 0.31 -0.43 0.37 0.61 -1.23 0.00 0.00 174.94 174.57 3mel n GLY 100 N -0.24 -0.49 0.58 6.18 0.00 -1.26 -1.61 105.19 108.35 3mel n GLY 100 Ca -0.06 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3mel n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mel n ALA 101 N -3.18 2.41 -3.18 4.61 0.00 -1.26 -2.01 120.51 117.90 3mel n ALA 101 Ca -0.06 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.78 3mel n ALA 101 Cb 0.56 -0.45 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3mel n ALA 101 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mel n THR 102 N -0.11 0.00 -0.55 0.00 -2.24 -1.26 -4.25 114.28 105.87 3mel n THR 102 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3mel n THR 102 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 3mel n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mel n GLY 103 N 2.12 0.65 0.00 3.38 0.00 -1.26 -4.80 105.19 105.28 3mel n GLY 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mel n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mel n GLY 104 N -2.00 3.40 3.77 -0.02 0.00 -1.26 -5.06 105.19 104.02 3mel n GLY 104 Ca 0.00 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3mel n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mel s ARG 105 N 2.88 4.13 0.03 1.61 0.52 -1.26 -4.93 118.95 121.94 3mel s ARG 105 Ca 0.00 2.55 0.20 0.00 -0.52 0.00 0.00 55.73 57.96 3mel s ARG 105 Cb 0.00 -2.99 -0.19 0.00 0.52 0.00 0.00 34.95 32.29 3mel s ARG 105 CO 0.00 -0.53 0.66 -0.89 0.02 0.00 0.00 175.30 174.55 3mel n ILE 106 N 0.92 0.66 0.31 1.52 5.41 -1.26 -2.55 119.36 124.37 3mel n ILE 106 Ca 0.03 -0.61 0.16 0.00 1.00 0.00 0.00 62.75 63.32 3mel n ILE 106 Cb 0.39 -0.34 0.60 0.00 -0.71 0.00 0.00 39.64 39.58 3mel n ILE 106 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 3mel h ASP 107 N 0.00 0.00 0.25 4.38 2.03 -2.00 -0.96 116.42 120.13 3mel h ASP 107 Ca -0.12 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.85 3mel h ASP 107 Cb 1.32 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.77 3mel h ASP 107 CO 0.02 0.00 -2.00 1.57 -1.03 0.00 0.00 179.24 177.79 3mel n HIS 108 N -2.86 0.74 -0.12 4.15 -0.00 -1.23 -3.09 115.22 112.81 3mel n HIS 108 Ca 0.01 0.22 -0.10 0.00 0.46 0.00 0.00 57.72 58.32 3mel n HIS 108 Cb 0.30 -1.12 -0.02 0.00 -0.12 0.00 0.00 29.99 29.03 3mel n HIS 108 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3mel h LEU 109 N 0.02 0.54 -0.68 0.27 6.46 -1.20 -2.86 115.31 117.86 3mel h LEU 109 Ca -0.40 -0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.11 3mel h LEU 109 Cb 2.06 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.82 3mel h LEU 109 CO 0.05 0.62 0.36 -0.07 -0.62 0.00 0.00 178.44 178.78 3mel h LEU 110 N 0.42 0.87 -2.27 2.25 3.38 -1.32 0.95 115.31 119.59 3mel h LEU 110 Ca 0.11 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.01 3mel h LEU 110 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3mel h LEU 110 CO 0.00 0.73 0.14 0.00 0.09 0.00 0.00 178.44 179.40 3mel h ALA 111 N 1.17 1.76 0.07 1.53 0.00 -1.46 -0.07 119.26 122.28 3mel h ALA 111 Ca 0.24 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.83 3mel h ALA 111 Cb 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3mel h ALA 111 CO -0.04 -0.20 -1.74 -0.91 0.00 0.00 0.00 179.25 176.36 3mel h ASN 112 N 0.00 0.24 0.48 0.00 4.21 -1.10 -3.30 115.58 116.10 3mel h ASN 112 Ca 0.06 -0.47 -0.06 0.00 1.21 0.00 0.00 56.30 57.05 3mel h ASN 112 Cb 0.34 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.45 3mel h ASN 112 CO -0.00 1.41 -0.28 0.25 -1.29 0.00 0.00 177.43 177.52 3mel h LEU 113 N 0.04 0.00 -2.82 1.61 5.85 0.28 -3.04 115.31 117.23 3mel h LEU 113 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3mel h LEU 113 Cb 2.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.05 3mel h LEU 113 CO 0.11 0.28 0.00 0.79 -0.34 0.00 0.00 178.44 179.27 3mel n TRP 114 N -3.82 1.11 -0.12 1.25 8.01 -0.15 -4.53 117.44 119.19 3mel n TRP 114 Ca -0.01 -0.52 -0.05 0.00 -1.31 0.00 0.00 57.50 55.60 3mel n TRP 114 Cb 0.37 -0.06 0.03 0.00 -2.01 0.00 0.00 31.31 29.64 3mel n TRP 114 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 3mel h LEU 115 N 4.30 0.15 -2.09 -0.99 3.38 -1.61 -1.79 115.31 116.66 3mel h LEU 115 Ca 0.00 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3mel h LEU 115 Cb 1.10 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3mel h LEU 115 CO 0.05 0.12 0.33 -0.65 0.09 0.00 0.00 178.44 178.39 3mel h PRO 116 N 0.30 0.00 0.00 1.13 0.11 -1.85 -1.81 132.00 129.88 3mel h PRO 116 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 3mel h PRO 116 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 3mel h PRO 116 CO -0.19 0.00 -0.13 0.74 -0.21 0.00 0.00 178.00 178.21 3mel h PHE 117 N 0.00 0.00 -3.71 0.65 0.04 -1.65 -3.07 116.94 109.19 3mel h PHE 117 Ca 0.10 0.00 -0.50 0.00 2.80 0.00 0.00 57.97 60.36 3mel h PHE 117 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 3mel h PHE 117 CO 0.00 0.13 0.44 -1.21 -0.60 0.00 0.00 178.31 177.07 3mel s GLU 118 N -4.35 4.68 0.23 1.51 2.02 -0.68 -4.82 118.70 117.29 3mel s GLU 118 Ca -0.03 1.69 -0.07 0.00 0.02 0.00 0.00 54.97 56.57 3mel s GLU 118 Cb 0.14 -3.25 0.39 0.00 0.10 0.00 0.00 34.13 31.52 3mel s GLU 118 CO 0.61 0.24 1.68 -1.35 0.02 0.00 0.00 175.26 176.47 3mel h PRO 119 N 4.36 0.23 0.00 0.39 0.11 -1.89 0.19 132.00 135.39 3mel h PRO 119 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3mel h PRO 119 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3mel h PRO 119 CO 0.69 0.15 0.00 2.89 -0.21 0.00 0.00 178.00 181.52 3mel n ARG 120 N -5.18 0.03 -0.00 1.05 1.85 -1.26 -2.95 116.66 110.20 3mel n ARG 120 Ca 0.12 0.42 -0.00 0.00 -1.00 0.00 0.00 57.85 57.39 3mel n ARG 120 Cb 0.41 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 30.23 3mel n ARG 120 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3mel n PHE 121 N -1.66 0.00 -0.26 2.89 3.72 -0.15 -4.74 117.46 117.26 3mel n PHE 121 Ca 0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 3mel n PHE 121 Cb 0.09 -0.01 0.20 0.00 -0.94 0.00 0.00 39.48 38.81 3mel n PHE 121 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3mel h GLN 122 N 0.00 0.16 -0.73 -1.08 4.15 -0.60 0.57 115.11 117.58 3mel h GLN 122 Ca -0.01 -0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.62 3mel h GLN 122 Cb 0.74 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 3mel h GLN 122 CO 0.00 0.11 0.76 0.78 -1.93 0.00 0.00 178.83 178.55 3mel h GLY 123 N 0.17 0.00 -0.94 2.39 0.00 -1.85 -0.77 103.07 102.07 3mel h GLY 123 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 3mel h GLY 123 CO -0.62 0.00 -0.46 3.33 0.00 0.00 0.00 176.54 178.78 3mel n VAL 124 N -3.61 2.15 0.07 4.60 0.24 0.20 -4.77 118.33 117.21 3mel n VAL 124 Ca 0.15 -3.13 0.18 0.00 -2.04 0.00 0.00 64.34 59.50 3mel n VAL 124 Cb 1.02 -0.22 0.70 0.00 -1.47 0.00 0.00 33.84 33.86 3mel n VAL 124 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 3mel h LEU 125 N 0.91 0.00 -1.04 1.34 8.10 -0.82 -0.46 115.31 123.34 3mel h LEU 125 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3mel h LEU 125 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.23 3mel h LEU 125 CO 0.00 0.00 0.00 0.03 -4.11 0.00 0.00 178.44 174.36 3mel h ARG 126 N 0.00 0.00 0.00 0.17 2.47 -1.83 -3.09 114.38 112.10 3mel h ARG 126 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 3mel h ARG 126 Cb 0.78 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 3mel h ARG 126 CO -0.00 0.00 -1.31 1.04 0.56 0.00 0.00 179.97 180.26 3mel n GLN 127 N -3.09 0.41 -2.69 0.04 6.02 -0.20 -4.82 117.38 113.05 3mel n GLN 127 Ca 0.02 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 3mel n GLN 127 Cb 0.37 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 3mel n GLN 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3mel s ILE 128 N -3.29 4.72 -0.20 5.09 1.01 -1.14 -4.55 121.20 122.84 3mel s ILE 128 Ca 0.00 1.98 -0.04 0.00 0.00 0.00 0.00 60.65 62.59 3mel s ILE 128 Cb 0.14 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 38.39 3mel s ILE 128 CO 0.84 -0.12 0.07 -0.60 0.00 0.00 0.00 174.94 175.13 3mel s ARG 129 N 2.87 0.37 -0.23 2.79 3.52 -1.26 -4.26 118.95 122.74 3mel s ARG 129 Ca 0.44 -0.33 -0.22 0.00 -0.13 0.00 0.00 55.73 55.49 3mel s ARG 129 Cb -0.16 -1.90 -0.02 0.00 -1.56 0.00 0.00 34.95 31.32 3mel s ARG 129 CO 0.09 -0.71 0.72 -0.51 -0.81 0.00 0.00 175.30 174.07 3mel s LEU 130 N 1.98 4.09 0.04 -0.88 1.43 -1.07 0.63 118.68 124.90 3mel s LEU 130 Ca 0.02 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3mel s LEU 130 Cb -0.17 -3.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 3mel s LEU 130 CO -0.12 -0.40 -0.10 0.00 0.23 0.00 0.00 176.35 175.95 3mel s ASP 132 N -1.17 0.16 0.44 0.00 3.84 -0.83 -4.26 116.67 114.86 3mel s ASP 132 Ca -0.03 -1.07 0.27 0.00 -0.00 0.00 0.00 52.55 51.72 3mel s ASP 132 Cb -0.08 0.67 1.33 0.00 -1.38 0.00 0.00 42.92 43.46 3mel s ASP 132 CO 0.01 -1.31 1.71 -0.09 -0.00 0.00 0.00 175.17 175.49 3mel h ARG 133 N 2.14 0.19 0.00 2.11 2.43 0.97 -2.69 114.38 119.53 3mel h ARG 133 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3mel h ARG 133 Cb 1.25 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3mel h ARG 133 CO 0.36 0.13 -1.30 1.04 -1.51 0.00 0.00 179.97 178.68 3mel n GLN 134 N -4.55 1.00 -4.22 0.20 6.02 -1.26 -4.90 117.38 109.67 3mel n GLN 134 Ca 0.31 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 57.08 3mel n GLN 134 Cb 1.20 -1.22 -0.10 0.00 1.02 0.00 0.00 30.24 31.14 3mel n GLN 134 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3mel s ASN 135 N -3.04 1.62 -0.27 1.08 0.01 -1.02 -1.70 114.94 111.62 3mel s ASN 135 Ca -0.02 -0.95 -0.00 0.00 -0.71 0.00 0.00 52.86 51.17 3mel s ASN 135 Cb 0.08 0.01 0.15 0.00 0.41 0.00 0.00 41.25 41.89 3mel s ASN 135 CO 0.47 -0.32 0.39 -0.55 -1.51 0.00 0.00 177.10 175.58 3mel s SER 136 N -2.93 0.33 -0.12 -1.22 0.15 -0.17 -1.96 113.70 107.77 3mel s SER 136 Ca 0.13 -0.08 -0.02 0.00 0.70 0.00 0.00 55.95 56.68 3mel s SER 136 Cb 0.01 1.11 -0.03 0.00 -1.71 0.00 0.00 66.02 65.41 3mel s SER 136 CO -0.00 -0.33 -0.06 -0.63 1.20 0.00 0.00 173.24 173.42 3mel s ILE 137 N 2.55 3.70 0.16 6.45 1.01 -0.55 -1.87 121.20 132.65 3mel s ILE 137 Ca 0.11 -0.44 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3mel s ILE 137 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3mel s ILE 137 CO -0.23 0.53 -0.15 -1.10 0.00 0.00 0.00 174.94 173.99 3mel s GLN 138 N -0.03 1.19 0.17 2.79 -0.21 -0.38 -2.60 119.66 120.58 3mel s GLN 138 Ca 0.00 -1.42 0.09 0.00 0.02 0.00 0.00 55.36 54.05 3mel s GLN 138 Cb -0.13 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 3mel s GLN 138 CO 0.03 0.18 -0.13 0.71 -2.12 0.00 0.00 175.29 173.96 3mel s TYR 139 N -2.57 2.57 -0.14 0.91 2.02 -1.26 -0.42 117.35 118.46 3mel s TYR 139 Ca 0.16 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.52 3mel s TYR 139 Cb -0.03 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.30 3mel s TYR 139 CO 0.05 0.49 0.35 0.71 -1.57 0.00 0.00 175.55 175.57 3mel s TYR 140 N -1.60 -0.45 0.69 2.71 2.02 -0.90 -4.48 117.35 115.34 3mel s TYR 140 Ca 0.23 1.03 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 3mel s TYR 140 Cb -0.09 0.16 0.11 0.00 -0.40 0.00 0.00 41.96 41.74 3mel s TYR 140 CO 0.14 -0.25 0.96 0.00 -1.57 0.00 0.00 175.55 174.82 3mel s ALA 141 N 0.88 3.69 0.43 3.71 0.00 -1.26 -2.70 121.76 126.51 3mel s ALA 141 Ca -0.06 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.07 3mel s ALA 141 Cb -0.06 -2.06 -0.11 0.00 0.00 0.00 0.00 23.12 20.88 3mel s ALA 141 CO -0.06 -1.34 0.76 -2.30 0.00 0.00 0.00 175.76 172.81 3mel n PRO 142 N -2.77 0.89 -2.79 0.00 -0.02 -1.25 -4.84 135.00 124.22 3mel n PRO 142 Ca 0.13 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3mel n PRO 142 Cb 0.60 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 3mel n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mel n GLY 143 N 1.52 -0.18 2.83 -1.23 0.00 -0.27 -4.97 105.19 102.89 3mel n GLY 143 Ca 0.11 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.54 3mel n GLY 143 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mel s SER 144 N -4.00 1.31 0.06 1.61 0.15 -1.26 -1.14 113.70 110.43 3mel s SER 144 Ca 0.00 -0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.54 3mel s SER 144 Cb 0.00 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.82 3mel s SER 144 CO 0.00 -0.13 -0.04 -0.31 1.20 0.00 0.00 173.24 173.96 3mel s TYR 145 N 1.50 0.57 -0.04 3.44 2.02 0.64 -4.99 117.35 120.49 3mel s TYR 145 Ca -0.02 -0.94 0.05 0.00 -0.37 0.00 0.00 57.07 55.79 3mel s TYR 145 Cb -0.13 -0.39 -0.02 0.00 -0.40 0.00 0.00 41.96 41.02 3mel s TYR 145 CO -0.03 -0.29 -0.20 0.96 -1.57 0.00 0.00 175.55 174.41 3mel s ILE 146 N -3.43 2.55 -0.26 2.71 -4.36 -1.26 -1.33 121.20 115.83 3mel s ILE 146 Ca 0.04 -0.91 -0.00 0.00 -0.26 0.00 0.00 60.65 59.52 3mel s ILE 146 Cb 0.04 -1.95 0.04 0.00 1.25 0.00 0.00 42.46 41.84 3mel s ILE 146 CO -0.07 0.58 -0.07 -0.69 0.24 0.00 0.00 174.94 174.93 3mel s VAL 147 N -0.57 2.66 0.10 8.37 1.01 0.12 -4.96 120.40 127.13 3mel s VAL 147 Ca 0.08 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.55 3mel s VAL 147 Cb -0.11 -2.41 -0.06 0.00 0.00 0.00 0.00 36.38 33.80 3mel s VAL 147 CO 0.01 0.12 0.88 -2.16 0.00 0.00 0.00 175.10 173.94 3mel s PRO 148 N 1.25 4.62 0.09 2.72 0.05 -1.26 -1.75 135.00 140.72 3mel s PRO 148 Ca -0.03 1.29 -0.31 0.00 0.05 0.00 0.00 61.00 62.01 3mel s PRO 148 Cb -0.18 -3.36 -0.09 0.00 0.05 0.00 0.00 34.50 30.93 3mel s PRO 148 CO -0.05 0.28 1.65 0.21 0.05 0.00 0.00 177.00 179.14 3mel s LYS 149 N -0.16 4.20 0.16 4.56 2.36 -0.74 -4.97 119.74 125.14 3mel s LYS 149 Ca 0.43 2.35 -0.30 0.00 -2.55 0.00 0.00 55.97 55.90 3mel s LYS 149 Cb -0.22 -3.51 -0.08 0.00 -1.05 0.00 0.00 37.83 32.97 3mel s LYS 149 CO 0.27 -0.72 1.26 -1.21 1.55 0.00 0.00 175.35 176.51 3mel s GLU 150 N 2.36 4.42 0.12 4.03 2.02 -1.26 -4.96 118.70 125.43 3mel s GLU 150 Ca 0.74 1.94 -0.22 0.00 0.02 0.00 0.00 54.97 57.45 3mel s GLU 150 Cb -0.41 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 3mel s GLU 150 CO 0.32 -0.23 1.69 -1.35 0.02 0.00 0.00 175.26 175.72 3mel h PRO 151 N 5.82 -0.14 0.00 0.39 0.11 -2.00 -2.92 132.00 133.26 3mel h PRO 151 Ca -0.44 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3mel h PRO 151 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3mel h PRO 151 CO 0.78 -0.09 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3mel n ASP 152 N -5.24 0.32 -4.80 -2.05 5.75 -1.26 -4.79 116.55 104.47 3mel n ASP 152 Ca -0.04 0.55 -0.39 0.00 -0.01 0.00 0.00 54.79 54.91 3mel n ASP 152 Cb 0.17 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 39.56 3mel n ASP 152 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3mel s LYS 153 N -3.09 4.28 -0.02 0.11 -0.14 -1.11 -4.87 119.74 114.90 3mel s LYS 153 Ca 0.09 0.84 0.21 0.00 -1.36 0.00 0.00 55.97 55.75 3mel s LYS 153 Cb 0.13 -3.21 -0.26 0.00 -1.68 0.00 0.00 37.83 32.80 3mel s LYS 153 CO 0.43 0.61 0.52 0.39 -0.76 0.00 0.00 175.35 176.54 3mel n GLU 154 N 1.60 0.65 -4.21 1.68 1.02 0.75 -4.88 120.64 117.26 3mel n GLU 154 Ca -0.09 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 56.84 3mel n GLU 154 Cb 0.50 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.23 3mel n GLU 154 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3mel s TYR 155 N -3.28 1.06 0.06 -0.32 2.02 0.35 -4.70 117.35 112.54 3mel s TYR 155 Ca -0.07 -0.92 0.06 0.00 -0.37 0.00 0.00 57.07 55.77 3mel s TYR 155 Cb 0.12 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 41.06 3mel s TYR 155 CO 0.87 -0.13 -0.16 -1.17 -1.57 0.00 0.00 175.55 173.39 3mel s LEU 156 N -3.11 2.22 -0.12 -1.29 2.96 0.16 -1.72 118.68 117.79 3mel s LEU 156 Ca 0.17 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.42 3mel s LEU 156 Cb 0.05 -0.69 0.03 0.00 0.50 0.00 0.00 46.19 46.08 3mel s LEU 156 CO -0.01 0.03 0.31 0.00 -1.32 0.00 0.00 176.35 175.36 3mel s ALA 157 N -1.01 -0.77 -0.42 5.97 0.00 0.63 -1.40 121.76 124.77 3mel s ALA 157 Ca 0.03 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 52.84 3mel s ALA 157 Cb -0.09 -0.54 0.10 0.00 0.00 0.00 0.00 23.12 22.60 3mel s ALA 157 CO 0.02 -0.16 0.24 0.71 0.00 0.00 0.00 175.76 176.57 3mel s TYR 158 N 0.29 3.48 -0.43 0.00 2.02 -0.46 -1.46 117.35 120.79 3mel s TYR 158 Ca -0.01 -2.09 -0.16 0.00 -0.37 0.00 0.00 57.07 54.44 3mel s TYR 158 Cb -0.03 -3.17 0.03 0.00 -0.40 0.00 0.00 41.96 38.39 3mel s TYR 158 CO -0.01 -0.95 0.38 0.00 -1.57 0.00 0.00 175.55 173.40 3mel n LEU 161 N 8.66 0.00 -3.96 0.00 4.77 -1.26 -3.01 117.00 122.19 3mel n LEU 161 Ca 0.05 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3mel n LEU 161 Cb 0.49 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 3mel n LEU 161 CO 0.70 -0.06 0.14 0.42 -1.33 0.00 0.00 177.39 177.26 3mel s THR 162 N -2.27 0.02 0.14 -5.08 -4.23 -1.26 -4.85 115.64 98.11 3mel s THR 162 Ca 0.22 -1.34 -0.35 0.00 -1.18 0.00 0.00 61.69 59.05 3mel s THR 162 Cb 0.12 -2.05 -0.15 0.00 1.34 0.00 0.00 72.50 71.76 3mel s THR 162 CO 0.24 -0.08 1.49 -2.65 -0.54 0.00 0.00 174.62 173.08 3mel n PRO 163 N -0.34 1.81 -5.12 3.99 -0.02 -1.26 -4.52 135.00 129.55 3mel n PRO 163 Ca -0.04 0.65 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 3mel n PRO 163 Cb 0.62 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 3mel n PRO 163 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mel s VAL 164 N 0.71 2.47 -0.07 -1.45 1.01 0.16 -4.15 120.40 119.08 3mel s VAL 164 Ca 0.80 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 61.77 3mel s VAL 164 Cb -0.77 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3mel s VAL 164 CO 0.41 0.57 0.11 -1.61 0.00 0.00 0.00 175.10 174.58 3mel s GLU 165 N -0.70 3.27 -0.84 2.72 2.02 -1.10 -0.50 118.70 123.57 3mel s GLU 165 Ca 0.11 -0.29 -0.02 0.00 0.02 0.00 0.00 54.97 54.79 3mel s GLU 165 Cb -0.10 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.10 3mel s GLU 165 CO -0.00 0.72 0.62 -1.71 0.02 0.00 0.00 175.26 174.91 3mel n ASN 166 N 1.69 -5.26 -4.50 -0.19 2.85 -1.08 -1.71 115.26 107.06 3mel n ASN 166 Ca -0.17 -0.85 -0.37 0.00 -0.11 0.00 0.00 54.58 53.08 3mel n ASN 166 Cb 0.54 -2.24 -0.12 0.00 1.24 0.00 0.00 39.78 39.20 3mel n ASN 166 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3mel s LEU 167 N -4.96 3.63 -0.08 1.20 2.96 0.97 -3.76 118.68 118.64 3mel s LEU 167 Ca 0.03 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3mel s LEU 167 Cb -0.01 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.70 3mel s LEU 167 CO 0.88 -0.01 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.79 3mel s THR 168 N 1.50 1.84 -0.02 3.68 2.01 -0.74 -1.10 115.64 122.81 3mel s THR 168 Ca 0.06 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.22 3mel s THR 168 Cb -0.15 -1.59 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 3mel s THR 168 CO 0.05 0.51 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.49 3mel s LEU 169 N 0.25 2.17 0.18 4.42 1.43 0.03 -1.54 118.68 125.62 3mel s LEU 169 Ca -0.13 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3mel s LEU 169 Cb -0.16 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3mel s LEU 169 CO 0.06 0.32 0.07 -0.13 0.23 0.00 0.00 176.35 176.91 3mel s ARG 170 N -0.65 1.12 -1.23 1.70 1.81 -0.48 -3.91 118.95 117.31 3mel s ARG 170 Ca 0.10 -1.57 -0.07 0.00 -1.72 0.00 0.00 55.73 52.48 3mel s ARG 170 Cb -0.10 0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.47 3mel s ARG 170 CO -0.01 -0.28 1.07 0.54 -0.68 0.00 0.00 175.30 175.95 3mel n ARG 171 N -0.24 -7.21 -3.58 3.54 1.74 -1.26 -2.58 116.66 107.07 3mel n ARG 171 Ca -0.03 0.77 -0.13 0.00 -0.77 0.00 0.00 57.85 57.69 3mel n ARG 171 Cb 0.65 -5.64 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 3mel n ARG 171 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3mel s SER 172 N -3.45 -0.41 0.58 0.55 1.04 -1.26 -4.01 113.70 106.73 3mel s SER 172 Ca 0.46 0.09 0.28 0.00 0.48 0.00 0.00 55.95 57.26 3mel s SER 172 Cb -0.20 0.49 1.54 0.00 0.10 0.00 0.00 66.02 67.95 3mel s SER 172 CO 0.68 -0.74 2.01 0.50 0.98 0.00 0.00 173.24 176.66 3mel h LYS 173 N 2.72 0.00 -5.52 4.02 3.64 -0.93 -3.41 116.57 117.09 3mel h LYS 173 Ca -0.31 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.62 3mel h LYS 173 Cb 1.22 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.82 3mel h LYS 173 CO 0.42 0.00 -0.79 0.71 -2.27 0.00 0.00 179.45 177.52 3mel s TYR 174 N -4.69 1.34 0.16 1.91 2.02 -1.26 -4.97 117.35 111.86 3mel s TYR 174 Ca -0.05 -0.43 0.07 0.00 -0.37 0.00 0.00 57.07 56.29 3mel s TYR 174 Cb 0.16 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 3mel s TYR 174 CO 0.58 0.08 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.99 3mel s LEU 175 N -1.64 2.49 0.03 -1.29 1.43 -1.26 -4.80 118.68 113.63 3mel s LEU 175 Ca 0.01 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 3mel s LEU 175 Cb -0.10 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 3mel s LEU 175 CO 0.02 -0.16 -0.10 -0.76 0.23 0.00 0.00 176.35 175.59 3mel s LEU 176 N -2.91 2.14 -0.14 1.79 1.43 -1.25 -4.94 118.68 114.79 3mel s LEU 176 Ca 0.16 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3mel s LEU 176 Cb -0.02 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.85 3mel s LEU 176 CO 0.05 -0.03 -0.11 0.42 0.23 0.00 0.00 176.35 176.91 3mel s THR 177 N -0.78 1.36 -1.48 5.49 -4.23 -1.26 -0.79 115.64 113.95 3mel s THR 177 Ca -0.02 -0.52 -0.07 0.00 -1.18 0.00 0.00 61.69 59.90 3mel s THR 177 Cb -0.07 -1.32 0.02 0.00 1.34 0.00 0.00 72.50 72.48 3mel s THR 177 CO 0.00 0.40 0.77 0.59 -0.54 0.00 0.00 174.62 175.84 3mel n ASN 178 N 4.84 -5.76 -4.73 3.99 3.02 -1.12 -4.92 115.26 110.58 3mel n ASN 178 Ca -0.15 -0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 53.58 3mel n ASN 178 Cb 0.50 -4.63 -0.04 0.00 -0.61 0.00 0.00 39.78 35.00 3mel n ASN 178 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3mel s GLN 179 N -5.98 4.65 -0.18 3.52 2.00 -0.25 -4.51 119.66 118.91 3mel s GLN 179 Ca 0.42 1.57 -0.15 0.00 -2.00 0.00 0.00 55.36 55.21 3mel s GLN 179 Cb -0.19 -3.33 -0.04 0.00 0.80 0.00 0.00 33.01 30.24 3mel s GLN 179 CO 0.52 0.15 0.33 0.34 -0.50 0.00 0.00 175.29 176.13 3mel s ASP 180 N -0.04 6.43 -0.52 6.67 2.15 -1.26 -0.02 116.67 130.08 3mel s ASP 180 Ca 0.48 0.50 -0.04 0.00 0.43 0.00 0.00 52.55 53.92 3mel s ASP 180 Cb -0.26 -2.20 0.14 0.00 -0.30 0.00 0.00 42.92 40.30 3mel s ASP 180 CO 0.32 0.03 0.33 -0.69 -0.17 0.00 0.00 175.17 175.00 3mel s VAL 181 N 0.79 3.64 -0.09 1.11 1.01 0.34 -4.98 120.40 122.23 3mel s VAL 181 Ca 0.17 -2.41 0.25 0.00 0.00 0.00 0.00 61.98 59.99 3mel s VAL 181 Cb -0.14 -3.42 0.29 0.00 0.00 0.00 0.00 36.38 33.11 3mel s VAL 181 CO 0.06 -0.79 1.76 -0.65 0.00 0.00 0.00 175.10 175.47 3mel h PRO 182 N 7.67 0.00 -4.18 2.72 0.11 -1.93 0.45 132.00 136.84 3mel h PRO 182 Ca -0.09 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 3mel h PRO 182 Cb 1.01 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.98 3mel h PRO 182 CO 0.73 0.13 -0.48 1.52 -0.21 0.00 0.00 178.00 179.69 3mel s TYR 183 N -3.43 0.67 0.05 0.65 -0.85 -1.26 -4.53 117.35 108.64 3mel s TYR 183 Ca 0.03 -1.02 -0.33 0.00 -0.52 0.00 0.00 57.07 55.23 3mel s TYR 183 Cb 0.08 -0.28 -0.12 0.00 0.38 0.00 0.00 41.96 42.03 3mel s TYR 183 CO 0.63 -0.64 1.81 -2.30 -1.52 0.00 0.00 175.55 173.53 3mel n PRO 184 N -0.18 2.44 -4.28 -3.49 -0.02 -1.26 -4.58 135.00 123.63 3mel n PRO 184 Ca -0.05 0.89 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3mel n PRO 184 Cb 0.64 -2.74 -0.13 0.00 -0.02 0.00 0.00 33.50 31.24 3mel n PRO 184 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3mel s THR 185 N 2.99 0.95 -0.64 3.45 2.01 -1.16 -5.00 115.64 118.23 3mel s THR 185 Ca 0.86 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.96 3mel s THR 185 Cb -0.60 -0.88 0.16 0.00 0.01 0.00 0.00 72.50 71.20 3mel s THR 185 CO 0.43 -0.05 0.44 -0.55 -0.69 0.00 0.00 174.62 174.20 3mel s SER 186 N -1.12 4.39 -0.59 3.53 0.15 -1.26 -1.20 113.70 117.60 3mel s SER 186 Ca -0.00 -3.62 -0.26 0.00 0.70 0.00 0.00 55.95 52.76 3mel s SER 186 Cb -0.08 -1.50 -0.10 0.00 -1.71 0.00 0.00 66.02 62.64 3mel s SER 186 CO 0.01 -0.12 2.43 -1.22 1.20 0.00 0.00 173.24 175.54 3mel n TYR 187 N 2.26 1.31 -0.10 3.44 4.01 -0.96 -4.77 117.16 122.35 3mel n TYR 187 Ca 0.18 0.10 -0.10 0.00 -0.16 0.00 0.00 57.90 57.92 3mel n TYR 187 Cb 0.36 -2.59 -0.15 0.00 -0.31 0.00 0.00 39.34 36.64 3mel n TYR 187 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mel n ALA 188 N 16.14 1.51 -2.38 -0.72 0.00 -1.26 -1.36 120.51 132.44 3mel n ALA 188 Ca 0.41 -1.27 -0.18 0.00 0.00 0.00 0.00 53.44 52.40 3mel n ALA 188 Cb 0.49 -0.16 0.02 0.00 0.00 0.00 0.00 19.45 19.81 3mel n ALA 188 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mel n SER 189 N -2.78 3.72 -4.62 0.00 7.64 -1.26 -4.46 113.62 111.86 3mel n SER 189 Ca -0.33 -3.23 -0.29 0.00 1.01 0.00 0.00 58.87 56.02 3mel n SER 189 Cb 1.12 -0.42 0.19 0.00 -1.01 0.00 0.00 64.21 64.09 3mel n SER 189 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3mel s ASN 190 N -3.58 2.29 0.02 6.43 3.84 -0.50 -4.82 114.94 118.63 3mel s ASN 190 Ca 0.42 1.53 -0.01 0.00 0.21 0.00 0.00 52.86 55.01 3mel s ASN 190 Cb 0.39 -2.21 -0.02 0.00 -0.55 0.00 0.00 41.25 38.87 3mel s ASN 190 CO -0.03 -3.39 -0.01 -1.61 -2.79 0.00 0.00 177.10 169.28 3mel s GLU 191 N -4.73 0.33 0.46 0.43 2.02 -1.26 -0.66 118.70 115.30 3mel s GLU 191 Ca 0.66 -0.58 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 3mel s GLU 191 Cb -0.21 0.12 -0.08 0.00 0.10 0.00 0.00 34.13 34.06 3mel s GLU 191 CO 0.60 -0.06 1.11 -0.06 0.02 0.00 0.00 175.26 176.87 3mel s PHE 192 N -1.44 2.96 -0.22 1.61 0.08 -1.26 -0.29 117.98 119.41 3mel s PHE 192 Ca -0.16 1.57 0.02 0.00 0.12 0.00 0.00 56.93 58.48 3mel s PHE 192 Cb -0.10 -3.25 -0.15 0.00 -0.57 0.00 0.00 43.02 38.95 3mel s PHE 192 CO -0.01 -1.19 -0.19 -0.89 -0.10 0.00 0.00 175.22 172.84 3mel n ILE 193 N -0.60 1.28 -2.87 0.64 5.41 -1.26 -4.71 119.36 117.25 3mel n ILE 193 Ca 0.08 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 63.21 3mel n ILE 193 Cb 0.50 -1.27 0.02 0.00 -0.71 0.00 0.00 39.64 38.17 3mel n ILE 193 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3mel n GLU 194 N -3.14 0.76 0.00 0.38 -0.00 -1.26 -5.00 120.64 112.38 3mel n GLU 194 Ca -0.39 -2.14 0.00 0.00 -0.00 0.00 0.00 57.16 54.63 3mel n GLU 194 Cb 0.92 -1.40 0.00 0.00 -0.00 0.00 0.00 31.44 30.97 3mel n GLU 194 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3mel n GLU 195 N 1.56 0.00 -3.60 3.44 -0.58 -1.26 -4.86 120.64 115.34 3mel n GLU 195 Ca 0.12 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.73 3mel n GLU 195 Cb 0.60 -2.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.03 3mel n GLU 195 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mel s ALA 196 N -1.47 -1.85 0.47 0.62 0.00 -1.26 -1.78 121.76 116.48 3mel s ALA 196 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3mel s ALA 196 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 23.12 22.20 3mel s ALA 196 CO 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 175.76 175.48 3mel n ALA 197 N 1.90 0.43 -3.43 0.00 0.00 -0.72 -4.77 120.51 113.92 3mel n ALA 197 Ca -0.14 -2.09 -0.16 0.00 0.00 0.00 0.00 53.44 51.05 3mel n ALA 197 Cb 0.56 1.12 -0.05 0.00 0.00 0.00 0.00 19.45 21.07 3mel n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mel s ALA 198 N -2.79 -1.56 0.18 0.00 0.00 -1.07 0.16 121.76 116.68 3mel s ALA 198 Ca 0.03 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.76 3mel s ALA 198 Cb -0.00 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.39 3mel s ALA 198 CO 0.02 -0.46 0.47 -0.59 0.00 0.00 0.00 175.76 175.19 3mel s PHE 199 N -1.93 -0.04 0.03 0.00 -0.12 -0.44 -1.38 117.98 114.10 3mel s PHE 199 Ca -0.08 -0.30 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 3mel s PHE 199 Cb -0.01 0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 42.66 3mel s PHE 199 CO 0.03 -0.86 0.02 -1.54 -0.05 0.00 0.00 175.22 172.82 3mel s SER 200 N -2.88 0.25 -0.08 1.98 1.04 -0.59 -0.26 113.70 113.16 3mel s SER 200 Ca 0.10 -0.58 -0.31 0.00 0.48 0.00 0.00 55.95 55.64 3mel s SER 200 Cb 0.00 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.37 3mel s SER 200 CO -0.03 -0.43 0.77 0.72 0.98 0.00 0.00 173.24 175.25 3mel s PHE 201 N -2.29 -0.57 -0.08 5.02 -0.12 -0.29 -1.79 117.98 117.85 3mel s PHE 201 Ca -0.08 0.98 0.15 0.00 -0.05 0.00 0.00 56.93 57.93 3mel s PHE 201 Cb -0.04 0.42 -0.17 0.00 -0.63 0.00 0.00 43.02 42.61 3mel s PHE 201 CO -0.04 -0.53 0.80 -0.44 -0.05 0.00 0.00 175.22 174.96 3mel h ASP 202 N 2.86 0.00 -5.08 1.98 3.32 -1.42 -0.69 116.42 117.39 3mel h ASP 202 Ca -0.24 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 3mel h ASP 202 Cb 1.15 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.53 3mel h ASP 202 CO 0.37 0.75 -0.36 0.00 -1.72 0.00 0.00 179.24 178.28 3mel s ALA 203 N -2.79 -0.41 0.00 3.45 0.00 -1.25 -4.75 121.76 116.01 3mel s ALA 203 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3mel s ALA 203 Cb 0.08 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.53 3mel s ALA 203 CO 0.81 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3mel n GLY 204 N 0.53 0.70 0.00 0.00 0.00 -1.26 -2.71 105.19 102.45 3mel n GLY 204 Ca -0.18 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3mel n GLY 204 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3mel n ILE 206 N 0.00 0.00 -3.61 -0.61 5.41 -1.10 -3.87 119.36 115.58 3mel n ILE 206 Ca 0.00 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.38 3mel n ILE 206 Cb 0.00 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 38.83 3mel n ILE 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mel s ALA 207 N -0.09 3.57 -0.37 -1.39 0.00 0.15 -2.13 121.76 121.51 3mel s ALA 207 Ca 0.00 -0.97 -0.17 0.00 0.00 0.00 0.00 51.96 50.81 3mel s ALA 207 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 3mel s ALA 207 CO 0.00 -0.38 0.46 0.08 0.00 0.00 0.00 175.76 175.91 3mel s VAL 208 N 1.43 5.07 -0.24 0.00 1.01 0.44 -1.47 120.40 126.64 3mel s VAL 208 Ca 0.08 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 3mel s VAL 208 Cb -0.15 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3mel s VAL 208 CO 0.08 -0.24 -0.01 -0.63 0.00 0.00 0.00 175.10 174.30 3mel s ILE 209 N 2.24 3.51 -0.04 2.22 1.01 -0.54 -1.25 121.20 128.36 3mel s ILE 209 Ca 0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 3mel s ILE 209 Cb -0.16 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3mel s ILE 209 CO 0.13 0.33 0.20 -1.10 0.00 0.00 0.00 174.94 174.49 3mel s GLN 210 N 1.48 3.48 0.38 2.79 -0.21 -0.78 -0.27 119.66 126.53 3mel s GLN 210 Ca 0.05 -0.20 -0.12 0.00 0.02 0.00 0.00 55.36 55.11 3mel s GLN 210 Cb -0.15 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 30.78 3mel s GLN 210 CO -0.02 0.70 0.72 -1.54 -2.12 0.00 0.00 175.29 173.03 3mel s SER 211 N -1.61 0.24 0.22 5.90 1.04 -0.70 -1.00 113.70 117.79 3mel s SER 211 Ca 0.24 -1.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.22 3mel s SER 211 Cb -0.13 0.82 0.03 0.00 0.10 0.00 0.00 66.02 66.84 3mel s SER 211 CO 0.14 -1.62 0.62 -1.59 0.98 0.00 0.00 173.24 171.77 3mel s LYS 212 N -2.41 1.53 0.61 4.02 -2.85 -0.69 -0.18 119.74 119.77 3mel s LYS 212 Ca 0.19 -0.84 -0.06 0.00 -1.00 0.00 0.00 55.97 54.27 3mel s LYS 212 Cb -0.04 0.57 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 3mel s LYS 212 CO 0.14 -0.68 0.91 -0.51 0.10 0.00 0.00 175.35 175.31 3mel s ASP 213 N -2.87 5.43 0.00 0.03 1.01 -1.26 -4.83 116.67 114.18 3mel s ASP 213 Ca 0.09 0.62 0.00 0.00 0.71 0.00 0.00 52.55 53.97 3mel s ASP 213 Cb -0.03 -1.55 0.00 0.00 1.01 0.00 0.00 42.92 42.35 3mel s ASP 213 CO -0.01 -1.17 0.13 0.29 0.21 0.00 0.00 175.17 174.63