#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mda n LYS 2 N 0.00 1.04 -2.47 3.44 3.00 -1.26 -2.93 118.16 118.99 1mda n LYS 2 Ca 0.00 -0.99 -0.02 0.00 -0.00 0.00 0.00 58.31 57.31 1mda n LYS 2 Cb 0.00 -2.23 0.09 0.00 0.00 0.00 0.00 35.03 32.89 1mda n LYS 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1mda n SER 3 N 4.64 -0.70 -0.95 3.14 7.64 -1.26 -4.55 113.62 121.59 1mda n SER 3 Ca 0.23 -2.15 0.11 0.00 1.01 0.00 0.00 58.87 58.07 1mda n SER 3 Cb 0.07 0.37 0.14 0.00 -1.01 0.00 0.00 64.21 63.78 1mda n SER 3 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1mda n LYS 4 N -1.11 2.16 -2.43 1.43 4.81 -1.15 -4.40 118.16 117.47 1mda n LYS 4 Ca -0.13 -1.98 -0.41 0.00 -0.87 0.00 0.00 58.31 54.93 1mda n LYS 4 Cb 0.85 -1.43 0.01 0.00 0.02 0.00 0.00 35.03 34.48 1mda n LYS 4 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1mda n VAL 5 N 1.25 5.79 -2.84 3.15 3.14 -1.26 -4.01 118.33 123.55 1mda n VAL 5 Ca 0.15 -5.45 -0.12 0.00 -2.96 0.00 0.00 64.34 55.96 1mda n VAL 5 Cb 0.54 -1.68 0.03 0.00 -1.06 0.00 0.00 33.84 31.67 1mda n VAL 5 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1mda n ALA 6 N 0.42 2.28 0.00 1.55 0.00 -1.26 -4.33 120.51 119.16 1mda n ALA 6 Ca 0.51 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 51.15 1mda n ALA 6 Cb 0.26 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1mda n ALA 6 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mda n GLY 7 N 0.01 0.36 0.09 0.00 0.00 -1.26 -4.51 105.19 99.89 1mda n GLY 7 Ca 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.10 1mda n GLY 7 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1mda h SER 8 N 0.00 0.00 0.24 1.61 0.02 -1.90 -1.69 113.55 111.83 1mda h SER 8 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1mda h SER 8 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1mda h SER 8 CO 0.00 0.86 -0.11 0.00 -1.14 0.00 0.00 176.83 176.43 1mda h ALA 9 N 1.14 -0.32 -0.97 3.77 0.00 -1.86 0.82 119.26 121.83 1mda h ALA 9 Ca -0.01 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1mda h ALA 9 Cb 1.60 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 19.43 1mda h ALA 9 CO 0.11 -0.42 0.61 0.00 0.00 0.00 0.00 179.25 179.56 1mda h ALA 10 N -0.35 1.70 0.48 0.00 0.00 -1.79 0.34 119.26 119.64 1mda h ALA 10 Ca -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1mda h ALA 10 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mda h ALA 10 CO 0.05 0.01 -0.23 0.00 0.00 0.00 0.00 179.25 179.09 1mda h ALA 11 N 1.59 -0.64 -0.89 0.00 0.00 -1.14 -0.86 119.26 117.32 1mda h ALA 11 Ca 0.51 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1mda h ALA 11 Cb 0.72 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1mda h ALA 11 CO -0.28 -0.86 0.50 0.00 0.00 0.00 0.00 179.25 178.61 1mda h ALA 12 N -0.12 1.14 -0.58 0.00 0.00 0.17 -2.37 119.26 117.50 1mda h ALA 12 Ca -0.07 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1mda h ALA 12 Cb 0.50 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1mda h ALA 12 CO 0.11 0.64 0.19 1.03 0.00 0.00 0.00 179.25 181.22 1mda h SER 13 N 1.25 0.16 -0.57 0.00 0.87 -0.06 -1.65 113.55 113.55 1mda h SER 13 Ca 0.32 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.89 1mda h SER 13 Cb 0.01 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1mda h SER 13 CO -0.05 0.10 0.08 0.00 -0.53 0.00 0.00 176.83 176.43 1mda h ALA 14 N 1.42 0.75 0.00 6.23 0.00 -0.65 -1.77 119.26 125.24 1mda h ALA 14 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1mda h ALA 14 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1mda h ALA 14 CO -0.32 0.51 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1mda n ALA 15 N -2.43 1.96 -2.58 0.00 0.00 -0.71 -4.75 120.51 112.00 1mda n ALA 15 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1mda n ALA 15 Cb 0.28 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1mda n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 16 N -0.29 -0.63 -2.66 0.00 0.00 -0.67 -4.95 120.51 111.32 1mda n ALA 16 Ca 0.00 0.18 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1mda n ALA 16 Cb 0.04 -2.51 -0.08 0.00 0.00 0.00 0.00 19.45 16.90 1mda n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s ALA 17 N -2.94 3.57 0.00 0.00 0.00 -0.70 -5.04 121.76 116.65 1mda s ALA 17 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1mda s ALA 17 Cb -0.05 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1mda s ALA 17 CO 0.14 -0.36 0.00 0.45 0.00 0.00 0.00 175.76 176.00 1mda n SER 18 N 4.62 0.00 -2.35 0.00 2.88 -1.26 -4.53 113.62 112.98 1mda n SER 18 Ca -0.09 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.43 1mda n SER 18 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1mda n SER 18 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1mda n ASP 19 N 2.03 -5.44 -4.12 -3.46 9.92 -1.26 -5.04 116.55 109.18 1mda n ASP 19 Ca 0.00 0.13 -0.38 0.00 -0.53 0.00 0.00 54.79 54.02 1mda n ASP 19 Cb 0.00 -3.55 -0.08 0.00 -0.64 0.00 0.00 41.12 36.84 1mda n ASP 19 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1mda s GLY 20 N -2.27 2.60 0.39 0.44 0.00 -1.26 -5.11 107.32 102.11 1mda s GLY 20 Ca 0.07 -3.35 -0.27 0.00 0.00 0.00 0.00 44.72 41.17 1mda s GLY 20 CO 0.44 1.13 1.37 1.44 0.00 0.00 0.00 173.10 177.48 1mda n SER 21 N 3.39 3.11 -3.48 1.64 7.64 -1.26 -5.04 113.62 119.62 1mda n SER 21 Ca 0.10 1.18 -0.11 0.00 1.01 0.00 0.00 58.87 61.04 1mda n SER 21 Cb 0.39 -1.55 -0.02 0.00 -1.01 0.00 0.00 64.21 62.02 1mda n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1mda s SER 22 N -0.33 -0.50 -0.28 6.43 1.04 -1.26 -5.11 113.70 113.69 1mda s SER 22 Ca 0.57 -0.09 -0.29 0.00 0.48 0.00 0.00 55.95 56.62 1mda s SER 22 Cb -0.51 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.21 1mda s SER 22 CO 0.61 -0.97 1.18 0.00 0.98 0.00 0.00 173.24 175.04 1mda n ASP 24 N 7.04 0.92 -4.15 0.00 5.68 -1.26 -5.13 116.55 119.66 1mda n ASP 24 Ca 0.13 -1.90 -0.16 0.00 -0.50 0.00 0.00 54.79 52.36 1mda n ASP 24 Cb 0.46 -0.75 -0.12 0.00 -1.14 0.00 0.00 41.12 39.58 1mda n ASP 24 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1mda s HIS 25 N -3.27 1.05 0.84 2.11 -3.43 -1.26 -5.00 115.29 106.33 1mda s HIS 25 Ca 0.67 -0.51 -0.12 0.00 -0.80 0.00 0.00 55.06 54.29 1mda s HIS 25 Cb -0.03 -0.59 0.10 0.00 -1.43 0.00 0.00 32.58 30.63 1mda s HIS 25 CO 0.46 0.01 1.19 0.41 -2.00 0.00 0.00 174.74 174.81 1mda n GLY 26 N 1.14 -0.09 0.26 -1.38 0.00 -0.34 -4.93 105.19 99.84 1mda n GLY 26 Ca -0.20 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.39 1mda n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mda h PRO 27 N -1.15 0.00 0.00 1.61 0.13 -1.89 -3.46 132.00 127.23 1mda h PRO 27 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1mda h PRO 27 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1mda h PRO 27 CO 0.45 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 1mda n GLY 28 N -0.66 2.94 3.60 1.56 0.00 -1.26 -5.03 105.19 106.34 1mda n GLY 28 Ca -0.02 -1.43 -0.51 0.00 0.00 0.00 0.00 46.02 44.07 1mda n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 29 N 1.15 -0.60 -3.35 4.61 0.00 -1.26 -4.96 120.51 116.10 1mda n ALA 29 Ca 0.00 0.50 -0.09 0.00 0.00 0.00 0.00 53.44 53.85 1mda n ALA 29 Cb 0.00 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 1mda n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1mda s ILE 30 N 0.41 0.00 0.38 0.00 -4.36 -1.26 -5.02 121.20 111.35 1mda s ILE 30 Ca 0.81 -1.31 0.10 0.00 -0.26 0.00 0.00 60.65 60.00 1mda s ILE 30 Cb -0.90 -2.26 0.14 0.00 1.25 0.00 0.00 42.46 40.70 1mda s ILE 30 CO 0.47 0.00 1.89 -1.28 0.24 0.00 0.00 174.94 176.26 1mda h SER 31 N 2.17 0.17 0.01 4.36 0.87 -1.90 -2.95 113.55 116.28 1mda h SER 31 Ca -0.25 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 1mda h SER 31 Cb 1.25 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1mda h SER 31 CO 0.34 0.38 -0.00 0.54 -0.53 0.00 0.00 176.83 177.55 1mda n ARG 32 N -4.23 1.23 -2.50 2.24 5.12 -1.26 -4.49 116.66 112.77 1mda n ARG 32 Ca -0.01 -0.37 -0.41 0.00 -1.93 0.00 0.00 57.85 55.13 1mda n ARG 32 Cb 0.30 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.07 1mda n ARG 32 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1mda s ARG 33 N -2.02 4.59 -0.01 5.56 3.52 -1.12 -0.45 118.95 129.02 1mda s ARG 33 Ca 0.43 1.74 0.02 0.00 -0.13 0.00 0.00 55.73 57.80 1mda s ARG 33 Cb 0.22 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.34 1mda s ARG 33 CO 0.36 0.07 -0.08 -1.54 -0.81 0.00 0.00 175.30 173.31 1mda s SER 34 N -0.17 0.89 -0.11 -2.12 1.04 0.32 -4.50 113.70 109.04 1mda s SER 34 Ca 0.49 -0.14 -0.05 0.00 0.48 0.00 0.00 55.95 56.74 1mda s SER 34 Cb -0.30 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 1mda s SER 34 CO 0.36 0.09 0.07 -1.00 0.98 0.00 0.00 173.24 173.73 1mda s HIS 35 N -0.17 3.35 -0.16 5.02 3.76 -0.61 0.62 115.29 127.10 1mda s HIS 35 Ca 0.03 0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 55.24 1mda s HIS 35 Cb -0.03 -1.89 0.04 0.00 1.11 0.00 0.00 32.58 31.81 1mda s HIS 35 CO -0.00 0.54 -0.04 0.42 -0.85 0.00 0.00 174.74 174.81 1mda s ILE 36 N -0.78 0.97 -0.07 0.60 -1.09 0.94 -2.57 121.20 119.20 1mda s ILE 36 Ca 0.13 -0.53 -0.15 0.00 -2.23 0.00 0.00 60.65 57.86 1mda s ILE 36 Cb -0.12 -1.17 -0.05 0.00 -1.58 0.00 0.00 42.46 39.54 1mda s ILE 36 CO 0.03 0.11 0.39 0.28 -1.23 0.00 0.00 174.94 174.52 1mda s THR 37 N 1.69 5.15 -0.52 2.92 -1.32 -0.60 0.51 115.64 123.47 1mda s THR 37 Ca 0.01 0.78 -0.10 0.00 -1.21 0.00 0.00 61.69 61.17 1mda s THR 37 Cb -0.15 -3.71 0.13 0.00 -1.51 0.00 0.00 72.50 67.26 1mda s THR 37 CO -0.07 0.47 0.41 -0.22 -2.21 0.00 0.00 174.62 173.00 1mda s LEU 38 N -0.30 5.82 0.55 9.08 2.96 0.89 -1.33 118.68 136.36 1mda s LEU 38 Ca 0.22 -2.04 0.33 0.00 -0.22 0.00 0.00 54.13 52.42 1mda s LEU 38 Cb -0.15 -2.04 1.56 0.00 0.50 0.00 0.00 46.19 46.05 1mda s LEU 38 CO 0.10 -0.68 2.07 -0.65 -1.32 0.00 0.00 176.35 175.87 1mda h PRO 39 N 8.34 0.00 -2.58 0.98 0.11 -1.86 -3.29 132.00 133.70 1mda h PRO 39 Ca -0.18 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.55 1mda h PRO 39 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1mda h PRO 39 CO 0.86 0.07 -0.48 0.00 -0.21 0.00 0.00 178.00 178.24 1mda n ALA 40 N -2.17 -0.54 -1.89 -0.75 0.00 -1.24 -3.06 120.51 110.86 1mda n ALA 40 Ca -0.01 0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.52 1mda n ALA 40 Cb 0.25 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.64 1mda n ALA 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1mda n TYR 41 N -3.88 -0.26 -1.90 0.00 4.01 -1.26 -3.21 117.16 110.65 1mda n TYR 41 Ca -0.22 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.49 1mda n TYR 41 Cb 0.67 -1.96 -0.00 0.00 -0.31 0.00 0.00 39.34 37.74 1mda n TYR 41 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1mda n PHE 42 N -3.66 -0.12 -2.49 -0.72 3.72 -1.17 -5.04 117.46 107.98 1mda n PHE 42 Ca -0.09 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.96 1mda n PHE 42 Cb 0.48 -1.33 -0.03 0.00 -0.94 0.00 0.00 39.48 37.66 1mda n PHE 42 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mda s ALA 43 N -2.14 2.95 0.61 4.37 0.00 -1.20 -4.92 121.76 121.43 1mda s ALA 43 Ca 0.00 0.69 0.30 0.00 0.00 0.00 0.00 51.96 52.95 1mda s ALA 43 Cb 0.00 -3.28 1.60 0.00 0.00 0.00 0.00 23.12 21.44 1mda s ALA 43 CO 0.00 -0.35 1.98 0.78 0.00 0.00 0.00 175.76 178.17 1mda h GLY 44 N 1.92 0.00 -4.65 0.00 0.00 -1.92 -3.41 103.07 95.01 1mda h GLY 44 Ca -0.49 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.38 1mda h GLY 44 CO 0.60 0.00 -0.80 -1.59 0.00 0.00 0.00 176.54 174.75 1mda s THR 45 N -4.46 1.21 0.22 4.70 2.01 -1.26 -2.11 115.64 115.94 1mda s THR 45 Ca -0.04 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.85 1mda s THR 45 Cb 0.13 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 1mda s THR 45 CO 0.47 0.01 0.23 0.42 -0.69 0.00 0.00 174.62 175.06 1mda s THR 46 N -0.89 0.00 0.02 -0.82 -4.23 -0.65 -4.88 115.64 104.18 1mda s THR 46 Ca 0.02 -1.84 0.02 0.00 -1.18 0.00 0.00 61.69 58.71 1mda s THR 46 Cb -0.08 -2.43 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 1mda s THR 46 CO 0.01 0.00 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.42 1mda s GLU 47 N -4.08 0.45 -0.15 3.99 2.02 -1.24 -1.46 118.70 118.23 1mda s GLU 47 Ca 0.35 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1mda s GLU 47 Cb 0.05 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.94 1mda s GLU 47 CO 0.12 0.07 -0.12 1.21 0.02 0.00 0.00 175.26 176.56 1mda s ASN 48 N -0.81 4.01 -0.24 -0.19 3.04 -0.50 -0.07 114.94 120.18 1mda s ASN 48 Ca -0.04 -0.36 -0.10 0.00 0.04 0.00 0.00 52.86 52.41 1mda s ASN 48 Cb -0.06 -1.62 -0.05 0.00 -1.54 0.00 0.00 41.25 37.98 1mda s ASN 48 CO 0.00 0.13 0.14 0.26 -3.04 0.00 0.00 177.10 174.59 1mda s TRP 49 N 0.59 3.28 -0.26 0.43 0.51 0.18 -1.45 118.94 122.22 1mda s TRP 49 Ca -0.07 0.15 -0.11 0.00 -2.12 0.00 0.00 56.10 53.95 1mda s TRP 49 Cb -0.15 -2.25 -0.05 0.00 -0.81 0.00 0.00 33.47 30.21 1mda s TRP 49 CO 0.03 0.03 0.18 0.08 -0.51 0.00 0.00 176.95 176.76 1mda s VAL 50 N 1.06 5.30 0.10 4.03 1.01 -1.05 -0.04 120.40 130.80 1mda s VAL 50 Ca 0.07 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.26 1mda s VAL 50 Cb -0.14 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1mda s VAL 50 CO 0.04 0.29 -0.12 -0.44 0.00 0.00 0.00 175.10 174.87 1mda s SER 51 N 1.49 1.67 -0.26 3.32 0.01 0.20 -0.59 113.70 119.55 1mda s SER 51 Ca 0.07 -0.75 -0.08 0.00 1.31 0.00 0.00 55.95 56.51 1mda s SER 51 Cb -0.15 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1mda s SER 51 CO 0.08 -0.17 0.08 0.00 0.41 0.00 0.00 173.24 173.65 1mda s ALA 53 N 1.60 3.00 0.00 0.00 0.00 0.41 0.27 121.76 127.04 1mda s ALA 53 Ca 0.06 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.48 1mda s ALA 53 Cb -0.16 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1mda s ALA 53 CO 0.04 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.22 1mda n GLY 54 N -0.46 1.96 0.25 0.00 0.00 -1.26 -4.47 105.19 101.21 1mda n GLY 54 Ca 0.07 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1mda n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n GLY 56 N -0.97 0.64 3.81 0.00 0.00 0.75 -5.02 105.19 104.40 1mda n GLY 56 Ca 0.03 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 1mda n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mda s VAL 57 N -2.06 5.23 -0.31 1.61 1.01 -0.99 -4.88 120.40 120.01 1mda s VAL 57 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1mda s VAL 57 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1mda s VAL 57 CO 0.00 0.53 1.19 -0.89 0.00 0.00 0.00 175.10 175.93 1mda s THR 58 N -0.57 4.31 -0.23 3.92 2.01 -1.26 -0.64 115.64 123.18 1mda s THR 58 Ca 0.20 1.50 0.20 0.00 0.31 0.00 0.00 61.69 63.90 1mda s THR 58 Cb -0.14 -4.28 0.03 0.00 0.01 0.00 0.00 72.50 68.11 1mda s THR 58 CO 0.08 -0.48 1.13 -0.07 -0.69 0.00 0.00 174.62 174.58 1mda h LEU 59 N 10.48 0.00 0.00 4.42 3.38 -1.19 -3.48 115.31 128.91 1mda h LEU 59 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1mda h LEU 59 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1mda h LEU 59 CO 1.03 0.21 0.00 0.61 0.09 0.00 0.00 178.44 180.38 1mda n GLY 60 N 1.23 0.57 3.60 0.83 0.00 -1.15 -4.66 105.19 105.61 1mda n GLY 60 Ca -0.02 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.19 1mda n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mda s HIS 61 N -2.13 -0.24 0.01 1.61 3.76 -1.26 -2.51 115.29 114.52 1mda s HIS 61 Ca 0.00 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.76 1mda s HIS 61 Cb 0.00 0.53 -0.00 0.00 1.11 0.00 0.00 32.58 34.21 1mda s HIS 61 CO 0.00 -1.00 0.09 -1.12 -0.85 0.00 0.00 174.74 171.86 1mda s SER 62 N -2.86 0.09 -0.12 1.40 0.01 -0.53 -4.95 113.70 106.75 1mda s SER 62 Ca 0.08 -0.28 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 1mda s SER 62 Cb -0.03 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 1mda s SER 62 CO -0.02 -0.34 0.09 -0.76 0.41 0.00 0.00 173.24 172.62 1mda s LEU 63 N -1.38 4.09 0.27 2.44 1.43 -1.26 -1.41 118.68 122.87 1mda s LEU 63 Ca -0.15 0.33 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1mda s LEU 63 Cb -0.08 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1mda s LEU 63 CO 0.01 0.37 0.34 -0.83 0.23 0.00 0.00 176.35 176.48 1mda s GLY 64 N -0.83 1.33 0.00 -3.19 0.00 -0.53 -4.99 107.32 99.11 1mda s GLY 64 Ca 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1mda s GLY 64 CO 0.03 -1.09 0.00 0.00 0.00 0.00 0.00 173.10 172.04 1mda n ALA 65 N -0.43 0.00 -2.43 3.20 0.00 -1.26 -1.64 120.51 117.94 1mda n ALA 65 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1mda n ALA 65 Cb 0.63 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 1mda n ALA 65 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1mda s PHE 66 N 4.20 2.66 -1.23 0.00 5.36 -0.89 -3.43 117.98 124.66 1mda s PHE 66 Ca 0.00 0.83 -0.18 0.00 -0.96 0.00 0.00 56.93 56.62 1mda s PHE 66 Cb 0.00 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 1mda s PHE 66 CO 0.00 -1.68 0.67 1.28 -1.46 0.00 0.00 175.22 174.03 1mda n LEU 67 N 7.86 -2.20 -4.86 6.12 4.77 -1.26 -4.21 117.00 123.21 1mda n LEU 67 Ca 0.15 -1.07 -0.31 0.00 -0.03 0.00 0.00 56.01 54.74 1mda n LEU 67 Cb 0.47 -2.20 -0.02 0.00 -2.33 0.00 0.00 43.42 39.34 1mda n LEU 67 CO 0.65 0.52 0.64 -0.94 -1.33 0.00 0.00 177.39 176.94 1mda s SER 68 N -3.72 6.49 -0.27 -1.43 1.04 -1.26 -4.77 113.70 109.78 1mda s SER 68 Ca 0.35 1.43 -0.02 0.00 0.48 0.00 0.00 55.95 58.20 1mda s SER 68 Cb -0.14 -2.46 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1mda s SER 68 CO 0.89 -0.63 -0.03 -0.22 0.98 0.00 0.00 173.24 174.23 1mda s LEU 69 N -4.35 3.45 0.38 2.42 2.96 -1.11 -4.89 118.68 117.54 1mda s LEU 69 Ca 0.56 -0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 53.26 1mda s LEU 69 Cb -0.10 -1.69 -0.10 0.00 0.50 0.00 0.00 46.19 44.79 1mda s LEU 69 CO 0.38 -0.17 0.94 0.00 -1.32 0.00 0.00 176.35 176.18 1mda s ALA 70 N 1.32 3.12 -0.00 5.97 0.00 -1.26 -1.67 121.76 129.24 1mda s ALA 70 Ca -0.01 0.44 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1mda s ALA 70 Cb -0.18 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1mda s ALA 70 CO -0.03 0.16 0.03 0.14 0.00 0.00 0.00 175.76 176.05 1mda s VAL 71 N -1.93 0.04 -0.08 0.00 -7.23 0.20 -4.97 120.40 106.43 1mda s VAL 71 Ca 0.57 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 60.39 1mda s VAL 71 Cb -0.13 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.67 1mda s VAL 71 CO 0.18 -0.20 -0.08 0.00 -0.31 0.00 0.00 175.10 174.69 1mda s ALA 72 N -0.59 1.12 0.07 1.32 0.00 -1.26 -0.99 121.76 121.43 1mda s ALA 72 Ca -0.07 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 1mda s ALA 72 Cb -0.04 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.33 1mda s ALA 72 CO -0.00 -0.13 1.57 0.20 0.00 0.00 0.00 175.76 177.39 1mda s GLY 73 N 1.17 1.65 0.25 0.00 0.00 -0.99 -4.92 107.32 104.48 1mda s GLY 73 Ca -0.06 1.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.77 1mda s GLY 73 CO -0.02 2.73 1.80 0.45 0.00 0.00 0.00 173.10 178.06 1mda h HIS 74 N 7.91 0.81 0.00 1.90 3.86 -1.90 -1.13 115.15 126.60 1mda h HIS 74 Ca -0.42 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1mda h HIS 74 Cb 1.20 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1mda h HIS 74 CO 0.75 0.30 0.00 -1.13 0.86 0.00 0.00 177.93 178.70 1mda n SER 75 N -4.79 0.00 -0.00 2.45 3.41 -1.26 -3.75 113.62 109.68 1mda n SER 75 Ca 0.14 -0.75 -0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1mda n SER 75 Cb 0.31 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1mda n SER 75 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mda n GLY 76 N 0.25 0.48 0.11 5.00 0.00 -0.43 -4.97 105.19 105.64 1mda n GLY 76 Ca 0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1mda n GLY 76 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mda h SER 77 N 0.00 0.00 -5.18 1.61 4.64 -1.89 -3.43 113.55 109.30 1mda h SER 77 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1mda h SER 77 Cb 0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.05 1mda h SER 77 CO 0.00 0.72 -0.03 1.51 -0.87 0.00 0.00 176.83 178.17 1mda s ASP 78 N -6.62 -0.14 0.04 4.97 1.47 -1.26 -4.59 116.67 110.53 1mda s ASP 78 Ca 0.01 -0.83 -0.03 0.00 1.18 0.00 0.00 52.55 52.88 1mda s ASP 78 Cb 0.10 0.62 -0.02 0.00 -0.34 0.00 0.00 42.92 43.28 1mda s ASP 78 CO 0.77 -1.19 0.04 0.72 0.68 0.00 0.00 175.17 176.20 1mda s PHE 79 N -3.99 0.30 0.30 2.11 -0.71 -1.05 -2.34 117.98 112.60 1mda s PHE 79 Ca 0.19 -0.68 -0.18 0.00 -1.04 0.00 0.00 56.93 55.21 1mda s PHE 79 Cb -0.02 -0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.59 1mda s PHE 79 CO 0.08 -0.35 0.69 0.00 -1.34 0.00 0.00 175.22 174.31 1mda s ALA 80 N -2.88 -0.94 -0.10 1.99 0.00 -0.16 -1.85 121.76 117.81 1mda s ALA 80 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 1mda s ALA 80 Cb 0.00 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1mda s ALA 80 CO -0.06 -1.00 0.27 -1.17 0.00 0.00 0.00 175.76 173.80 1mda s LEU 81 N -2.97 0.88 -0.19 0.00 2.96 -0.96 -0.63 118.68 117.77 1mda s LEU 81 Ca 0.14 0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.52 1mda s LEU 81 Cb -0.05 0.92 -0.04 0.00 0.50 0.00 0.00 46.19 47.51 1mda s LEU 81 CO 0.09 -0.10 0.07 0.00 -1.32 0.00 0.00 176.35 175.08 1mda s ALA 82 N 0.29 3.44 0.24 5.97 0.00 -0.67 -2.16 121.76 128.88 1mda s ALA 82 Ca -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1mda s ALA 82 Cb -0.03 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1mda s ALA 82 CO -0.01 0.16 0.17 0.45 0.00 0.00 0.00 175.76 176.54 1mda s SER 83 N 0.39 0.63 -0.06 0.00 0.15 0.10 -2.75 113.70 112.17 1mda s SER 83 Ca 0.04 -1.50 -0.02 0.00 0.70 0.00 0.00 55.95 55.16 1mda s SER 83 Cb -0.12 0.43 0.04 0.00 -1.71 0.00 0.00 66.02 64.66 1mda s SER 83 CO -0.00 -0.91 0.13 -0.89 1.20 0.00 0.00 173.24 172.77 1mda s THR 84 N -3.94 -0.07 0.17 6.45 2.01 -1.26 -1.66 115.64 117.35 1mda s THR 84 Ca 0.39 0.20 0.07 0.00 0.31 0.00 0.00 61.69 62.67 1mda s THR 84 Cb 0.06 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.30 1mda s THR 84 CO 0.17 0.08 -0.15 -0.44 -0.69 0.00 0.00 174.62 173.59 1mda s SER 85 N 1.26 2.44 0.03 3.53 0.01 -0.42 -2.10 113.70 118.44 1mda s SER 85 Ca -0.08 -0.92 0.03 0.00 1.31 0.00 0.00 55.95 56.28 1mda s SER 85 Cb -0.12 -0.12 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 1mda s SER 85 CO -0.06 -0.13 -0.08 -0.36 0.41 0.00 0.00 173.24 173.02 1mda s PHE 86 N -2.50 0.72 -0.12 2.43 0.40 -1.26 -0.50 117.98 117.15 1mda s PHE 86 Ca 0.17 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.81 1mda s PHE 86 Cb -0.03 -0.43 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1mda s PHE 86 CO 0.06 -0.05 1.17 0.00 0.70 0.00 0.00 175.22 177.10 1mda s ALA 87 N -1.06 3.56 -0.07 5.36 0.00 -0.26 -2.48 121.76 126.82 1mda s ALA 87 Ca -0.06 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 1mda s ALA 87 Cb -0.08 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1mda s ALA 87 CO 0.00 -0.91 0.06 0.54 0.00 0.00 0.00 175.76 175.45 1mda n ARG 88 N 5.79 -0.42 -0.20 0.00 5.12 -1.24 -3.13 116.66 122.58 1mda n ARG 88 Ca 0.12 0.05 -0.07 0.00 -1.93 0.00 0.00 57.85 56.02 1mda n ARG 88 Cb 0.46 -2.69 -0.02 0.00 -1.16 0.00 0.00 32.46 29.05 1mda n ARG 88 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1mda n SER 89 N 0.53 0.06 0.00 0.55 2.88 -1.04 -2.03 113.62 114.58 1mda n SER 89 Ca -0.00 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1mda n SER 89 Cb 0.51 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1mda n SER 89 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mda n ALA 90 N 1.35 0.00 -2.65 -1.46 0.00 -1.26 -5.00 120.51 111.49 1mda n ALA 90 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1mda n ALA 90 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1mda n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1mda s LYS 91 N 0.00 1.61 0.88 0.00 -2.85 -0.86 -5.04 119.74 113.47 1mda s LYS 91 Ca 0.00 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 1mda s LYS 91 Cb 0.00 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1mda s LYS 91 CO 0.00 -0.62 0.00 0.41 0.10 0.00 0.00 175.35 175.24 1mda n GLY 92 N -0.45 -1.58 3.68 0.59 0.00 -1.18 -2.89 105.19 103.35 1mda n GLY 92 Ca 0.02 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1mda n GLY 92 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mda s LYS 93 N 0.00 4.23 0.25 1.61 2.36 -1.26 -4.60 119.74 122.34 1mda s LYS 93 Ca 0.00 2.05 -0.22 0.00 -2.55 0.00 0.00 55.97 55.25 1mda s LYS 93 Cb 0.00 -3.72 -0.09 0.00 -1.05 0.00 0.00 37.83 32.97 1mda s LYS 93 CO 0.00 -0.69 0.81 0.50 1.55 0.00 0.00 175.35 177.52 1mda s ARG 94 N 3.03 4.40 -0.05 4.03 3.52 -1.26 -1.10 118.95 131.52 1mda s ARG 94 Ca 0.67 1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 57.31 1mda s ARG 94 Cb -0.32 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1mda s ARG 94 CO 0.27 0.37 0.05 0.99 -0.81 0.00 0.00 175.30 176.16 1mda s THR 95 N -1.52 0.00 -0.17 4.11 2.01 0.35 -4.91 115.64 115.51 1mda s THR 95 Ca 0.45 0.35 -0.13 0.00 0.31 0.00 0.00 61.69 62.67 1mda s THR 95 Cb -0.18 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.04 1mda s THR 95 CO 0.22 0.19 0.26 -1.81 -0.69 0.00 0.00 174.62 172.79 1mda s ASP 96 N 2.12 6.38 0.04 3.53 1.01 -1.26 -1.30 116.67 127.19 1mda s ASP 96 Ca 0.05 0.44 -0.15 0.00 0.71 0.00 0.00 52.55 53.60 1mda s ASP 96 Cb -0.12 -2.16 0.02 0.00 1.01 0.00 0.00 42.92 41.67 1mda s ASP 96 CO -0.04 0.11 0.32 -0.72 0.21 0.00 0.00 175.17 175.06 1mda s TYR 97 N 0.48 -0.14 -0.22 4.23 1.13 -0.66 0.27 117.35 122.44 1mda s TYR 97 Ca 0.14 0.05 -0.06 0.00 -1.41 0.00 0.00 57.07 55.80 1mda s TYR 97 Cb -0.13 0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.83 1mda s TYR 97 CO 0.03 -0.50 0.02 0.08 -2.51 0.00 0.00 175.55 172.66 1mda s VAL 98 N -2.39 4.04 0.05 -3.49 1.01 1.13 0.00 120.40 120.75 1mda s VAL 98 Ca -0.06 -0.28 0.05 0.00 0.00 0.00 0.00 61.98 61.70 1mda s VAL 98 Cb -0.01 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1mda s VAL 98 CO -0.02 0.40 -0.09 -0.70 0.00 0.00 0.00 175.10 174.69 1mda s GLU 99 N 1.19 2.34 -0.13 2.72 2.12 -0.92 0.71 118.70 126.72 1mda s GLU 99 Ca 0.03 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.49 1mda s GLU 99 Cb -0.14 -2.39 0.03 0.00 0.26 0.00 0.00 34.13 31.88 1mda s GLU 99 CO 0.02 0.56 -0.07 0.08 -0.54 0.00 0.00 175.26 175.31 1mda s VAL 100 N -1.08 1.05 0.07 3.70 1.01 -0.36 -2.27 120.40 122.52 1mda s VAL 100 Ca 0.19 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1mda s VAL 100 Cb -0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1mda s VAL 100 CO 0.10 0.28 0.13 -0.36 0.00 0.00 0.00 175.10 175.25 1mda s PHE 101 N 1.68 3.32 -0.03 5.22 0.08 -0.77 0.66 117.98 128.14 1mda s PHE 101 Ca 0.03 0.15 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 1mda s PHE 101 Cb -0.13 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1mda s PHE 101 CO -0.08 0.55 1.01 0.34 -0.10 0.00 0.00 175.22 176.94 1mda s ASP 102 N -2.38 7.30 0.01 1.36 -1.08 -0.79 -2.53 116.67 118.55 1mda s ASP 102 Ca 0.31 1.65 0.05 0.00 -0.52 0.00 0.00 52.55 54.03 1mda s ASP 102 Cb -0.12 -2.57 0.22 0.00 -1.46 0.00 0.00 42.92 38.99 1mda s ASP 102 CO 0.24 -0.35 1.16 -0.81 0.52 0.00 0.00 175.17 175.92 1mda n PRO 103 N 4.34 0.00 -0.04 4.34 -0.04 -1.26 -0.54 135.00 141.80 1mda n PRO 103 Ca 0.07 0.43 -0.07 0.00 -0.04 0.00 0.00 63.50 63.89 1mda n PRO 103 Cb 0.50 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1mda n PRO 103 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mda n VAL 104 N -1.52 0.46 0.07 0.52 0.31 -1.26 -4.61 118.33 112.29 1mda n VAL 104 Ca 0.01 -0.16 0.03 0.00 -0.01 0.00 0.00 64.34 64.21 1mda n VAL 104 Cb 0.05 -1.03 -0.05 0.00 -0.91 0.00 0.00 33.84 31.91 1mda n VAL 104 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1mda h THR 105 N -0.09 0.46 0.00 2.52 1.35 -1.91 -0.90 112.91 114.34 1mda h THR 105 Ca -0.19 -1.83 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1mda h THR 105 Cb 1.25 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 1mda h THR 105 CO -0.06 0.26 0.00 0.49 -0.25 0.00 0.00 175.52 175.96 1mda n PHE 106 N -2.91 0.00 -2.61 4.73 3.01 0.30 -4.96 117.46 115.02 1mda n PHE 106 Ca -0.06 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.05 1mda n PHE 106 Cb 0.77 -0.55 -0.05 0.00 -0.01 0.00 0.00 39.48 39.64 1mda n PHE 106 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1mda s LEU 107 N 0.00 4.02 -0.17 4.37 1.43 -1.26 -4.67 118.68 122.40 1mda s LEU 107 Ca 0.00 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1mda s LEU 107 Cb 0.00 -4.36 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 1mda s LEU 107 CO 0.00 -0.53 1.25 -2.16 0.23 0.00 0.00 176.35 175.14 1mda s PRO 108 N -2.83 4.23 0.09 1.29 0.05 -1.26 -1.89 135.00 134.67 1mda s PRO 108 Ca 0.61 1.64 0.23 0.00 0.05 0.00 0.00 61.00 63.54 1mda s PRO 108 Cb -0.18 -3.76 0.13 0.00 0.05 0.00 0.00 34.50 30.74 1mda s PRO 108 CO 0.22 -0.71 1.11 0.44 0.05 0.00 0.00 177.00 178.11 1mda n ILE 109 N 5.38 0.27 -3.56 0.56 -5.35 0.21 -4.94 119.36 111.93 1mda n ILE 109 Ca 0.14 -0.29 -0.16 0.00 -0.27 0.00 0.00 62.75 62.16 1mda n ILE 109 Cb 0.45 0.03 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 1mda n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mda s ALA 110 N -3.22 -1.51 -0.33 -1.28 0.00 -1.21 -4.99 121.76 109.22 1mda s ALA 110 Ca 0.04 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.97 1mda s ALA 110 Cb 0.13 0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.55 1mda s ALA 110 CO 0.78 -0.40 0.35 0.34 0.00 0.00 0.00 175.76 176.82 1mda s ASP 111 N -1.46 1.28 -0.24 0.00 -1.08 -1.26 -1.22 116.67 112.69 1mda s ASP 111 Ca -0.10 -1.11 -0.08 0.00 -0.52 0.00 0.00 52.55 50.74 1mda s ASP 111 Cb -0.01 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 42.01 1mda s ASP 111 CO 0.05 -0.32 0.10 -0.63 0.52 0.00 0.00 175.17 174.89 1mda s ILE 112 N 1.94 4.72 0.15 4.11 1.01 0.22 -4.90 121.20 128.44 1mda s ILE 112 Ca 0.13 -0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.49 1mda s ILE 112 Cb -0.14 -3.20 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 1mda s ILE 112 CO -0.19 0.35 0.76 -1.61 0.00 0.00 0.00 174.94 174.25 1mda s GLU 113 N 1.33 4.53 -0.18 2.79 2.02 -1.26 0.36 118.70 128.29 1mda s GLU 113 Ca 0.06 1.12 -0.16 0.00 0.02 0.00 0.00 54.97 56.01 1mda s GLU 113 Cb -0.15 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 1mda s GLU 113 CO 0.05 0.57 0.39 -0.51 0.02 0.00 0.00 175.26 175.78 1mda s LEU 114 N -1.12 4.19 0.01 1.80 1.43 0.78 -4.69 118.68 121.08 1mda s LEU 114 Ca 0.35 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.96 1mda s LEU 114 Cb -0.23 -2.51 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 1mda s LEU 114 CO 0.25 -0.03 1.06 -0.65 0.23 0.00 0.00 176.35 177.21 1mda h PRO 115 N 7.15 -0.05 -0.88 1.29 0.11 -1.97 -3.30 132.00 134.36 1mda h PRO 115 Ca -0.38 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.17 1mda h PRO 115 Cb 1.16 0.01 -0.30 0.00 0.11 0.00 0.00 31.00 31.99 1mda h PRO 115 CO 0.73 -0.03 0.42 -0.25 -0.21 0.00 0.00 178.00 178.66 1mda n ASP 116 N -2.98 5.81 -3.44 -2.05 8.00 -1.26 -4.90 116.55 115.74 1mda n ASP 116 Ca -0.00 -3.75 -0.17 0.00 0.71 0.00 0.00 54.79 51.57 1mda n ASP 116 Cb 0.04 -0.80 0.02 0.00 -0.02 0.00 0.00 41.12 40.36 1mda n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mda n ALA 117 N -0.95 -2.58 0.73 2.24 0.00 -1.24 -4.93 120.51 113.77 1mda n ALA 117 Ca 0.55 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.98 1mda n ALA 117 Cb 0.96 -2.67 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 1mda n ALA 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mda n PRO 118 N -2.89 0.18 -0.32 0.00 -0.04 -1.26 -4.88 135.00 125.78 1mda n PRO 118 Ca -0.11 -0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1mda n PRO 118 Cb 0.58 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.77 1mda n PRO 118 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mda n ARG 119 N -1.71 -0.07 -0.88 0.54 1.74 -1.26 -4.33 116.66 110.69 1mda n ARG 119 Ca 0.02 1.38 0.00 0.00 -0.77 0.00 0.00 57.85 58.48 1mda n ARG 119 Cb 0.39 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1mda n ARG 119 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1mda n PHE 120 N -5.37 0.00 -2.80 -1.55 7.35 -1.26 -4.51 117.46 109.33 1mda n PHE 120 Ca 0.20 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.46 1mda n PHE 120 Cb 0.64 -0.88 -0.04 0.00 0.35 0.00 0.00 39.48 39.55 1mda n PHE 120 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1mda s SER 121 N 0.00 6.43 0.22 -2.13 0.01 -1.26 -5.01 113.70 111.96 1mda s SER 121 Ca 0.00 -0.06 -0.12 0.00 1.31 0.00 0.00 55.95 57.07 1mda s SER 121 Cb 0.00 -2.46 -0.00 0.00 0.21 0.00 0.00 66.02 63.77 1mda s SER 121 CO 0.00 -1.17 0.43 -0.69 0.41 0.00 0.00 173.24 172.21 1mda s VAL 122 N 3.98 0.02 0.47 3.43 1.01 -1.26 -5.13 120.40 122.92 1mda s VAL 122 Ca 0.35 -1.32 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1mda s VAL 122 Cb -0.11 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.18 1mda s VAL 122 CO 0.24 -0.09 1.36 -0.83 0.00 0.00 0.00 175.10 175.77 1mda s GLY 123 N -2.99 2.90 0.23 4.51 0.00 -1.26 -4.89 107.32 105.82 1mda s GLY 123 Ca 0.20 1.33 -0.19 0.00 0.00 0.00 0.00 44.72 46.06 1mda s GLY 123 CO 0.05 1.90 0.72 2.56 0.00 0.00 0.00 173.10 178.32 1mda s PRO 124 N -2.55 4.21 -0.04 2.90 0.05 -1.26 -5.07 135.00 133.24 1mda s PRO 124 Ca 0.63 0.83 0.03 0.00 0.05 0.00 0.00 61.00 62.54 1mda s PRO 124 Cb -0.40 -2.84 0.01 0.00 0.05 0.00 0.00 34.50 31.31 1mda s PRO 124 CO 0.50 0.38 -0.11 1.03 0.05 0.00 0.00 177.00 178.85 1mda s ARG 125 N -2.07 1.33 0.16 4.56 3.00 -1.26 -4.97 118.95 119.70 1mda s ARG 125 Ca 0.44 -0.39 -0.33 0.00 0.00 0.00 0.00 55.73 55.46 1mda s ARG 125 Cb -0.16 -1.17 -0.12 0.00 0.00 0.00 0.00 34.95 33.49 1mda s ARG 125 CO 0.21 0.11 1.72 1.33 0.00 0.00 0.00 175.30 178.66 1mda n VAL 126 N 3.45 0.12 0.00 3.52 0.24 -1.26 -2.94 118.33 121.47 1mda n VAL 126 Ca -0.20 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 1mda n VAL 126 Cb 0.53 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 1mda n VAL 126 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1mda n HIS 127 N 4.36 0.00 1.19 6.34 8.25 -1.26 -4.65 115.22 129.46 1mda n HIS 127 Ca 0.17 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.76 1mda n HIS 127 Cb 0.33 0.00 0.40 0.00 1.12 0.00 0.00 29.99 31.85 1mda n HIS 127 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1mda n ILE 128 N -1.16 0.00 -3.79 1.59 3.06 -1.15 -0.45 119.36 117.45 1mda n ILE 128 Ca 0.00 -0.07 -0.17 0.00 -2.50 0.00 0.00 62.75 60.01 1mda n ILE 128 Cb 0.00 0.20 -0.17 0.00 0.54 0.00 0.00 39.64 40.21 1mda n ILE 128 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1mda s ILE 129 N -2.67 0.02 -0.01 9.51 1.01 -1.26 -3.26 121.20 124.54 1mda s ILE 129 Ca 0.21 0.22 -0.05 0.00 0.00 0.00 0.00 60.65 61.03 1mda s ILE 129 Cb 0.19 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.49 1mda s ILE 129 CO 0.56 0.13 0.09 -0.83 0.00 0.00 0.00 174.94 174.90 1mda s GLY 130 N 1.33 0.05 0.18 6.18 0.00 -0.19 -4.97 107.32 109.90 1mda s GLY 130 Ca -0.06 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.37 1mda s GLY 130 CO -0.03 -0.20 0.67 -1.31 0.00 0.00 0.00 173.10 172.23 1mda s ASN 131 N -0.97 7.04 0.57 1.64 0.02 -1.26 0.13 114.94 122.10 1mda s ASN 131 Ca -0.11 1.34 -0.01 0.00 -1.02 0.00 0.00 52.86 53.07 1mda s ASN 131 Cb -0.06 -2.39 0.03 0.00 0.02 0.00 0.00 41.25 38.85 1mda s ASN 131 CO 0.01 0.10 0.81 0.00 0.02 0.00 0.00 177.10 178.03 1mda h ALA 133 N -0.02 1.93 0.00 0.00 0.00 -1.88 0.31 119.26 119.60 1mda h ALA 133 Ca -0.43 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1mda h ALA 133 Cb 1.29 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1mda h ALA 133 CO 0.55 -0.62 -0.24 -1.13 0.00 0.00 0.00 179.25 177.81 1mda n SER 134 N -5.10 0.53 -0.04 0.00 3.41 -1.26 -4.94 113.62 106.22 1mda n SER 134 Ca 0.32 0.31 -0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1mda n SER 134 Cb 1.00 -0.32 -0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1mda n SER 134 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1mda n SER 135 N -1.91 -3.52 -0.62 4.04 7.64 0.10 -4.91 113.62 114.43 1mda n SER 135 Ca 0.05 0.01 0.13 0.00 1.01 0.00 0.00 58.87 60.08 1mda n SER 135 Cb 0.39 -1.06 0.40 0.00 -1.01 0.00 0.00 64.21 62.93 1mda n SER 135 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n ALA 136 N 1.01 2.54 -3.05 -0.43 0.00 -1.26 -4.86 120.51 114.45 1mda n ALA 136 Ca -0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 53.44 52.80 1mda n ALA 136 Cb 0.09 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 1mda n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s LEU 138 N -1.66 1.67 -0.21 0.00 0.20 -0.82 -1.46 118.68 116.40 1mda s LEU 138 Ca -0.10 -0.43 -0.09 0.00 0.69 0.00 0.00 54.13 54.20 1mda s LEU 138 Cb -0.04 -1.08 -0.05 0.00 -0.43 0.00 0.00 46.19 44.59 1mda s LEU 138 CO 0.00 -0.01 0.11 -0.76 -0.29 0.00 0.00 176.35 175.41 1mda s LEU 139 N 1.13 4.01 0.01 -0.68 2.01 0.34 -1.69 118.68 123.80 1mda s LEU 139 Ca -0.04 0.12 0.03 0.00 0.01 0.00 0.00 54.13 54.25 1mda s LEU 139 Cb -0.14 -2.04 -0.01 0.00 0.01 0.00 0.00 46.19 44.00 1mda s LEU 139 CO -0.04 0.13 -0.10 0.72 1.01 0.00 0.00 176.35 178.07 1mda s PHE 140 N 0.66 0.86 -0.12 0.29 -0.12 -0.71 -1.02 117.98 117.82 1mda s PHE 140 Ca 0.06 -0.24 -0.25 0.00 -0.05 0.00 0.00 56.93 56.45 1mda s PHE 140 Cb -0.12 -0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 41.71 1mda s PHE 140 CO 0.01 -0.01 0.77 0.12 -0.05 0.00 0.00 175.22 176.06 1mda s PHE 141 N -0.51 3.50 -0.20 3.49 5.36 -1.20 0.35 117.98 128.77 1mda s PHE 141 Ca 0.01 1.26 -0.07 0.00 -0.96 0.00 0.00 56.93 57.17 1mda s PHE 141 Cb -0.05 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 1mda s PHE 141 CO 0.00 -0.08 0.06 -1.17 -1.46 0.00 0.00 175.22 172.57 1mda s LEU 142 N 1.48 3.67 -0.08 6.12 0.20 0.28 -3.99 118.68 126.36 1mda s LEU 142 Ca 0.38 -0.02 -0.08 0.00 0.69 0.00 0.00 54.13 55.10 1mda s LEU 142 Cb -0.17 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 1mda s LEU 142 CO 0.16 0.11 -0.17 0.33 -0.29 0.00 0.00 176.35 176.48 1mda n PHE 143 N 3.98 0.00 -2.25 5.38 -0.00 -1.25 -0.06 117.46 123.25 1mda n PHE 143 Ca -0.16 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.88 1mda n PHE 143 Cb 0.52 -0.35 -0.03 0.00 -0.00 0.00 0.00 39.48 39.62 1mda n PHE 143 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1mda s GLY 144 N -4.80 2.69 0.00 7.13 0.00 -1.26 -3.59 107.32 107.49 1mda s GLY 144 Ca -0.16 1.09 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1mda s GLY 144 CO 0.22 1.92 0.00 -1.26 0.00 0.00 0.00 173.10 173.99 1mda n SER 145 N 2.01 0.00 -3.80 1.64 2.88 -1.26 -4.84 113.62 110.25 1mda n SER 145 Ca 0.03 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.45 1mda n SER 145 Cb 0.43 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.79 1mda n SER 145 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1mda s SER 146 N 0.00 -0.18 -0.08 -3.46 1.04 -1.24 -5.12 113.70 104.67 1mda s SER 146 Ca 0.00 0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 1mda s SER 146 Cb 0.00 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 1mda s SER 146 CO 0.00 -0.24 1.41 0.00 0.98 0.00 0.00 173.24 175.39 1mda s ALA 147 N -0.56 3.62 0.08 5.32 0.00 -1.24 -3.96 121.76 125.00 1mda s ALA 147 Ca -0.07 0.73 -0.21 0.00 0.00 0.00 0.00 51.96 52.41 1mda s ALA 147 Cb -0.04 -3.64 0.05 0.00 0.00 0.00 0.00 23.12 19.49 1mda s ALA 147 CO 0.02 -1.14 0.50 0.00 0.00 0.00 0.00 175.76 175.14 1mda s ALA 148 N 3.26 -1.26 -0.27 0.00 0.00 0.91 -3.35 121.76 121.04 1mda s ALA 148 Ca 0.63 0.43 -0.05 0.00 0.00 0.00 0.00 51.96 52.97 1mda s ALA 148 Cb -0.28 0.51 0.01 0.00 0.00 0.00 0.00 23.12 23.37 1mda s ALA 148 CO 0.23 -0.57 0.02 0.00 0.00 0.00 0.00 175.76 175.44 1mda s ALA 149 N -2.91 2.91 0.35 0.00 0.00 0.61 0.99 121.76 123.72 1mda s ALA 149 Ca -0.03 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.34 1mda s ALA 149 Cb -0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 23.12 21.08 1mda s ALA 149 CO -0.05 -0.85 0.79 0.20 0.00 0.00 0.00 175.76 175.84 1mda s GLY 150 N 1.43 2.32 -0.18 0.00 0.00 0.16 0.13 107.32 111.17 1mda s GLY 150 Ca 0.02 0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.84 1mda s GLY 150 CO -0.01 0.33 -0.05 -2.27 0.00 0.00 0.00 173.10 171.10 1mda s LEU 151 N -3.09 1.78 -0.13 0.66 0.20 0.15 -1.74 118.68 116.51 1mda s LEU 151 Ca 0.56 -0.78 -0.03 0.00 0.69 0.00 0.00 54.13 54.57 1mda s LEU 151 Cb -0.10 -0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 44.68 1mda s LEU 151 CO 0.17 -0.20 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.46 1mda s SER 152 N 1.60 4.95 -0.24 3.68 0.15 -0.68 0.21 113.70 123.36 1mda s SER 152 Ca -0.01 -0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.51 1mda s SER 152 Cb -0.16 -1.67 -0.05 0.00 -1.71 0.00 0.00 66.02 62.43 1mda s SER 152 CO -0.07 0.23 0.14 0.54 1.20 0.00 0.00 173.24 175.28 1mda s VAL 153 N -0.02 5.14 -0.73 4.45 0.11 0.20 -1.95 120.40 127.59 1mda s VAL 153 Ca 0.02 0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.96 1mda s VAL 153 Cb -0.13 -3.39 0.09 0.00 -1.53 0.00 0.00 36.38 31.42 1mda s VAL 153 CO 0.02 0.35 0.99 -2.84 -3.33 0.00 0.00 175.10 170.29 1mda s PRO 154 N 1.12 3.23 0.00 1.54 0.01 -0.84 0.11 135.00 140.17 1mda s PRO 154 Ca 0.07 -1.12 0.00 0.00 0.01 0.00 0.00 61.00 59.96 1mda s PRO 154 Cb -0.14 -4.42 0.00 0.00 0.01 0.00 0.00 34.50 29.95 1mda s PRO 154 CO 0.05 -1.79 0.00 0.41 0.01 0.00 0.00 177.00 175.68 1mda n GLY 155 N 5.39 0.00 2.37 0.52 0.00 -1.26 -4.86 105.19 107.36 1mda n GLY 155 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1mda n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 156 N 0.00 -0.98 -3.51 4.61 0.00 -0.67 -5.08 120.51 114.89 1mda n ALA 156 Ca 0.00 0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1mda n ALA 156 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 1mda n ALA 156 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1mda s SER 157 N -3.58 -0.54 0.35 0.00 0.15 0.30 -4.94 113.70 105.44 1mda s SER 157 Ca 0.08 0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.87 1mda s SER 157 Cb -0.04 0.48 -0.09 0.00 -1.71 0.00 0.00 66.02 64.66 1mda s SER 157 CO 0.39 -0.63 1.17 -0.62 1.20 0.00 0.00 173.24 174.75 1mda s ASP 158 N -1.67 6.78 0.00 5.45 2.15 -1.26 0.61 116.67 128.72 1mda s ASP 158 Ca -0.04 2.38 0.00 0.00 0.43 0.00 0.00 52.55 55.32 1mda s ASP 158 Cb -0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1mda s ASP 158 CO 0.01 -0.50 0.00 -0.67 -0.17 0.00 0.00 175.17 173.84 1mda n ASP 159 N 0.50 0.00 -3.65 -0.34 -0.08 0.55 -4.75 116.55 108.79 1mda n ASP 159 Ca 0.02 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.16 1mda n ASP 159 Cb 0.45 -0.28 -0.08 0.00 2.34 0.00 0.00 41.12 43.55 1mda n ASP 159 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1mda s GLN 160 N -0.70 0.77 -0.68 -0.67 0.74 -0.90 -4.96 119.66 113.26 1mda s GLN 160 Ca 0.00 0.74 -0.20 0.00 0.05 0.00 0.00 55.36 55.95 1mda s GLN 160 Cb 0.00 0.37 0.10 0.00 1.10 0.00 0.00 33.01 34.58 1mda s GLN 160 CO 0.00 -0.12 0.89 -0.51 -0.55 0.00 0.00 175.29 175.00 1mda s LEU 161 N 0.06 4.93 -0.22 3.68 2.01 -1.26 0.32 118.68 128.20 1mda s LEU 161 Ca -0.02 -1.38 -0.29 0.00 0.01 0.00 0.00 54.13 52.45 1mda s LEU 161 Cb -0.04 -2.37 -0.01 0.00 0.01 0.00 0.00 46.19 43.79 1mda s LEU 161 CO 0.02 -1.24 1.30 -0.89 1.01 0.00 0.00 176.35 176.55 1mda s THR 162 N 3.22 4.19 0.29 5.49 2.01 0.35 -4.86 115.64 126.33 1mda s THR 162 Ca 0.20 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 1mda s THR 162 Cb -0.17 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.19 1mda s THR 162 CO 0.05 -0.28 1.21 -0.54 -0.69 0.00 0.00 174.62 174.36 1mda s LYS 163 N 3.84 4.50 0.20 4.92 1.02 -1.26 -0.28 119.74 132.66 1mda s LYS 163 Ca 0.56 2.00 -0.02 0.00 0.02 0.00 0.00 55.97 58.52 1mda s LYS 163 Cb -0.20 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1mda s LYS 163 CO 0.19 -0.01 0.16 -1.12 -0.92 0.00 0.00 175.35 173.65 1mda s SER 164 N -0.54 0.14 1.01 2.83 0.01 -1.21 -4.94 113.70 110.99 1mda s SER 164 Ca 0.48 -1.32 -0.17 0.00 1.31 0.00 0.00 55.95 56.25 1mda s SER 164 Cb -0.35 0.39 0.22 0.00 0.21 0.00 0.00 66.02 66.49 1mda s SER 164 CO 0.45 -0.86 1.28 0.00 0.41 0.00 0.00 173.24 174.52 1mda s ALA 165 N -4.13 1.90 -0.87 1.44 0.00 -1.26 -4.71 121.76 114.12 1mda s ALA 165 Ca 0.36 -1.16 -0.25 0.00 0.00 0.00 0.00 51.96 50.90 1mda s ALA 165 Cb 0.06 -2.79 -0.10 0.00 0.00 0.00 0.00 23.12 20.28 1mda s ALA 165 CO 0.11 -2.69 2.18 0.45 0.00 0.00 0.00 175.76 175.81 1mda s SER 166 N -4.70 4.44 0.01 0.00 0.15 -1.26 -4.81 113.70 107.53 1mda s SER 166 Ca 0.74 -0.40 -0.01 0.00 0.70 0.00 0.00 55.95 56.98 1mda s SER 166 Cb -0.05 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1mda s SER 166 CO 0.54 -3.42 0.00 0.00 1.20 0.00 0.00 173.24 171.56 1mda n PHE 168 N 1.85 0.00 -0.60 0.00 3.01 -0.61 -4.96 117.46 116.15 1mda n PHE 168 Ca -0.22 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.94 1mda n PHE 168 Cb 0.56 0.00 0.28 0.00 -0.01 0.00 0.00 39.48 40.31 1mda n PHE 168 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1mda s HIS 169 N 0.07 -0.54 -0.13 1.38 3.76 -1.22 -4.91 115.29 113.69 1mda s HIS 169 Ca 0.00 0.47 -0.03 0.00 -0.15 0.00 0.00 55.06 55.34 1mda s HIS 169 Cb 0.00 -3.09 0.05 0.00 1.11 0.00 0.00 32.58 30.65 1mda s HIS 169 CO 0.00 -4.78 0.06 0.42 -0.85 0.00 0.00 174.74 169.59 1mda s ILE 170 N -2.51 0.11 -0.34 0.60 1.01 0.40 -3.76 121.20 116.70 1mda s ILE 170 Ca 0.70 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 61.28 1mda s ILE 170 Cb -0.10 -0.58 0.10 0.00 0.01 0.00 0.00 42.46 41.89 1mda s ILE 170 CO 0.57 -0.09 0.10 -1.00 0.00 0.00 0.00 174.94 174.51 1mda s HIS 171 N 2.06 2.54 0.04 3.97 3.76 -0.75 -4.66 115.29 122.25 1mda s HIS 171 Ca 0.02 -2.32 -0.30 0.00 -0.15 0.00 0.00 55.06 52.31 1mda s HIS 171 Cb -0.15 -2.22 -0.05 0.00 1.11 0.00 0.00 32.58 31.27 1mda s HIS 171 CO -0.07 -0.89 1.15 -2.14 -0.85 0.00 0.00 174.74 171.94 1mda s PRO 172 N 1.18 4.45 0.02 8.40 0.02 -1.26 0.19 135.00 147.99 1mda s PRO 172 Ca 0.11 1.68 0.22 0.00 0.02 0.00 0.00 61.00 63.03 1mda s PRO 172 Cb -0.19 -3.39 -0.24 0.00 0.02 0.00 0.00 34.50 30.70 1mda s PRO 172 CO -0.16 -0.23 0.60 0.41 -0.33 0.00 0.00 177.00 177.29 1mda n GLY 173 N 3.16 -1.12 3.53 0.52 0.00 0.85 -4.83 105.19 107.30 1mda n GLY 173 Ca 0.08 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 1mda n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda n ALA 174 N -2.28 -1.90 -0.23 4.61 0.00 -0.10 -4.66 120.51 115.95 1mda n ALA 174 Ca -0.05 -1.12 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 1mda n ALA 174 Cb 0.62 0.83 0.09 0.00 0.00 0.00 0.00 19.45 20.99 1mda n ALA 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda h ALA 175 N 2.00 0.87 -0.27 0.00 0.00 -1.96 -2.97 119.26 116.93 1mda h ALA 175 Ca -0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1mda h ALA 175 Cb 1.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mda h ALA 175 CO 0.38 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1mda n ALA 176 N -2.34 2.55 -3.38 0.00 0.00 -1.26 -4.92 120.51 111.16 1mda n ALA 176 Ca 0.08 -1.74 -0.13 0.00 0.00 0.00 0.00 53.44 51.65 1mda n ALA 176 Cb 0.15 -0.54 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 1mda n ALA 176 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1mda s THR 177 N -1.93 -0.02 0.04 0.00 2.01 -1.12 -1.98 115.64 112.64 1mda s THR 177 Ca 0.31 0.08 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 1mda s THR 177 Cb 0.22 -0.28 -0.01 0.00 0.01 0.00 0.00 72.50 72.44 1mda s THR 177 CO 0.11 0.03 0.10 -1.38 -0.69 0.00 0.00 174.62 172.79 1mda s HIS 178 N 0.63 0.20 -0.72 4.92 -0.00 -0.66 -0.11 115.29 119.54 1mda s HIS 178 Ca -0.04 -0.50 -0.12 0.00 -0.00 0.00 0.00 55.06 54.40 1mda s HIS 178 Cb -0.06 -0.14 0.19 0.00 -0.00 0.00 0.00 32.58 32.57 1mda s HIS 178 CO -0.03 -0.37 0.63 0.71 -0.00 0.00 0.00 174.74 175.68 1mda s TYR 179 N -2.61 3.60 -1.10 0.38 1.51 0.13 -0.91 117.35 118.34 1mda s TYR 179 Ca -0.05 -2.02 -0.08 0.00 -1.01 0.00 0.00 57.07 53.91 1mda s TYR 179 Cb -0.01 -3.67 -0.12 0.00 -0.11 0.00 0.00 41.96 38.05 1mda s TYR 179 CO -0.05 -0.97 2.87 -0.11 -1.11 0.00 0.00 175.55 176.19 1mda n LEU 180 N 4.14 7.03 -4.62 -1.29 7.94 -0.51 -1.81 117.00 127.89 1mda n LEU 180 Ca 0.07 -3.72 -0.29 0.00 -1.11 0.00 0.00 56.01 50.96 1mda n LEU 180 Cb 0.44 -1.40 0.21 0.00 0.53 0.00 0.00 43.42 43.20 1mda n LEU 180 CO 0.37 1.64 0.61 -0.83 -1.11 0.00 0.00 177.39 178.07 1mda s GLY 181 N 2.41 1.56 -0.00 -3.96 0.00 -1.24 -3.39 107.32 102.69 1mda s GLY 181 Ca 0.61 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 1mda s GLY 181 CO -0.04 0.18 0.01 -1.26 0.00 0.00 0.00 173.10 171.99 1mda n SER 182 N -4.49 -4.06 -2.61 1.64 2.88 -1.26 -3.44 113.62 102.28 1mda n SER 182 Ca 0.07 1.35 -0.14 0.00 -1.33 0.00 0.00 58.87 58.82 1mda n SER 182 Cb 0.58 -3.06 -0.05 0.00 -0.75 0.00 0.00 64.21 60.92 1mda n SER 182 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mda h PRO 184 N 0.00 0.57 -1.82 0.00 0.11 -1.98 -3.20 132.00 125.68 1mda h PRO 184 Ca -0.17 -0.35 -0.25 0.00 0.11 0.00 0.00 66.00 65.34 1mda h PRO 184 Cb 0.80 0.04 -0.10 0.00 0.11 0.00 0.00 31.00 31.84 1mda h PRO 184 CO 0.25 0.95 0.17 0.00 -0.21 0.00 0.00 178.00 179.16 1mda n ALA 185 N -2.50 5.33 0.00 -0.75 0.00 -1.26 -4.96 120.51 116.38 1mda n ALA 185 Ca -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.83 1mda n ALA 185 Cb 0.49 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1mda n ALA 185 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mda n SER 186 N 1.12 0.00 -2.05 0.00 7.64 -1.21 -4.69 113.62 114.43 1mda n SER 186 Ca 0.29 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.14 1mda n SER 186 Cb 0.61 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.79 1mda n SER 186 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mda n LEU 187 N 0.88 -4.57 -4.48 -3.43 4.77 -1.26 -3.74 117.00 105.17 1mda n LEU 187 Ca 0.00 1.49 -0.33 0.00 -0.03 0.00 0.00 56.01 57.14 1mda n LEU 187 Cb 0.00 -2.37 -0.13 0.00 -2.33 0.00 0.00 43.42 38.59 1mda n LEU 187 CO 0.00 -2.24 -0.39 0.00 -1.33 0.00 0.00 177.39 173.43 1mda s ALA 188 N -0.39 2.89 -0.30 -1.18 0.00 -1.22 0.32 121.76 121.88 1mda s ALA 188 Ca -0.13 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1mda s ALA 188 Cb 0.01 -1.39 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1mda s ALA 188 CO 0.34 0.30 0.06 0.00 0.00 0.00 0.00 175.76 176.47 1mda s ALA 189 N 0.10 3.00 -0.12 0.00 0.00 -0.40 -1.42 121.76 122.92 1mda s ALA 189 Ca -0.03 -1.55 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 1mda s ALA 189 Cb -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.84 1mda s ALA 189 CO 0.03 -1.04 -0.09 -1.12 0.00 0.00 0.00 175.76 173.54 1mda s SER 190 N 1.44 4.39 -0.35 0.00 0.01 -0.09 -1.31 113.70 117.79 1mda s SER 190 Ca 0.01 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 1mda s SER 190 Cb -0.18 -1.54 0.08 0.00 0.21 0.00 0.00 66.02 64.59 1mda s SER 190 CO 0.01 0.21 0.09 -0.62 0.41 0.00 0.00 173.24 173.34 1mda s ASP 191 N 0.08 5.00 0.00 2.44 -1.08 -1.26 -1.66 116.67 120.19 1mda s ASP 191 Ca -0.03 -1.74 0.23 0.00 -0.52 0.00 0.00 52.55 50.49 1mda s ASP 191 Cb -0.14 -1.74 1.15 0.00 -1.46 0.00 0.00 42.92 40.74 1mda s ASP 191 CO 0.04 -0.39 1.77 0.00 0.52 0.00 0.00 175.17 177.10 1mda n LEU 192 N 4.54 0.61 -4.47 -1.34 -0.00 -0.84 -2.47 117.00 113.03 1mda n LEU 192 Ca -0.06 -0.24 -0.29 0.00 -0.00 0.00 0.00 56.01 55.42 1mda n LEU 192 Cb 0.42 -0.03 0.23 0.00 -0.00 0.00 0.00 43.42 44.04 1mda n LEU 192 CO 0.28 0.12 0.35 0.00 -0.00 0.00 0.00 177.39 178.14 1mda n ALA 193 N -0.43 -2.81 -0.61 1.47 0.00 -1.19 -4.47 120.51 112.47 1mda n ALA 193 Ca 0.17 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1mda n ALA 193 Cb 0.18 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1mda n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 194 N -4.76 0.00 0.08 0.00 0.00 -1.26 -2.33 120.51 112.24 1mda n ALA 194 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 1mda n ALA 194 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 1mda n ALA 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda h ALA 195 N -0.61 -0.30 -3.00 0.00 0.00 -2.00 -3.50 119.26 109.86 1mda h ALA 195 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mda h ALA 195 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1mda h ALA 195 CO 0.00 -0.28 0.00 -0.35 0.00 0.00 0.00 179.25 178.62 1mda n PRO 196 N -4.97 2.26 -3.68 0.00 -0.04 -0.98 -5.10 135.00 122.49 1mda n PRO 196 Ca -0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.18 1mda n PRO 196 Cb 0.13 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.41 1mda n PRO 196 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mda s ALA 197 N -2.82 0.49 -0.04 0.55 0.00 -1.25 -3.17 121.76 115.52 1mda s ALA 197 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 51.96 51.80 1mda s ALA 197 Cb 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1mda s ALA 197 CO 0.00 -0.81 -0.00 0.00 0.00 0.00 0.00 175.76 174.94 1mda h ALA 198 N 8.38 0.00 -3.91 0.00 0.00 -1.83 -3.48 119.26 118.42 1mda h ALA 198 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1mda h ALA 198 Cb 1.13 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1mda h ALA 198 CO 0.24 0.01 -0.77 0.00 0.00 0.00 0.00 179.25 178.74 1mda n ALA 199 N -2.35 -3.30 -3.32 0.00 0.00 -1.19 -4.95 120.51 105.39 1mda n ALA 199 Ca -0.00 1.14 -0.24 0.00 0.00 0.00 0.00 53.44 54.34 1mda n ALA 199 Cb 0.00 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.05 1mda n ALA 199 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mda s GLY 200 N -0.32 0.78 -0.12 0.00 0.00 -0.43 -4.97 107.32 102.26 1mda s GLY 200 Ca -0.13 -0.44 -0.16 0.00 0.00 0.00 0.00 44.72 43.99 1mda s GLY 200 CO 0.36 0.02 0.38 -0.42 0.00 0.00 0.00 173.10 173.45 1mda s ILE 201 N 0.51 5.22 1.02 0.90 1.01 -1.26 -1.28 121.20 127.33 1mda s ILE 201 Ca -0.11 0.75 -0.13 0.00 0.00 0.00 0.00 60.65 61.16 1mda s ILE 201 Cb -0.14 -3.72 0.20 0.00 0.01 0.00 0.00 42.46 38.81 1mda s ILE 201 CO 0.03 0.39 1.09 -0.69 0.00 0.00 0.00 174.94 175.76 1mda s VAL 202 N 0.32 1.99 -0.64 2.92 1.01 0.15 -4.96 120.40 121.20 1mda s VAL 202 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 1mda s VAL 202 Cb -0.14 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.80 1mda s VAL 202 CO 0.08 0.00 1.15 -0.83 0.00 0.00 0.00 175.10 175.50 1mda s GLY 203 N -3.42 1.13 -0.41 4.51 0.00 -1.26 -4.87 107.32 102.99 1mda s GLY 203 Ca 0.66 -1.20 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 1mda s GLY 203 CO 0.58 2.42 1.43 0.00 0.00 0.00 0.00 173.10 177.52 1mda n ALA 204 N 8.49 0.15 -1.93 3.20 0.00 -1.26 -4.97 120.51 124.18 1mda n ALA 204 Ca 0.04 0.01 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 1mda n ALA 204 Cb 0.48 -1.31 0.10 0.00 0.00 0.00 0.00 19.45 18.72 1mda n ALA 204 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1mda s GLN 205 N 4.31 1.83 0.17 0.00 1.03 -1.26 -4.95 119.66 120.80 1mda s GLN 205 Ca 0.77 -0.33 0.00 0.00 0.04 0.00 0.00 55.36 55.83 1mda s GLN 205 Cb -0.86 -2.10 0.00 0.00 0.03 0.00 0.00 33.01 30.08 1mda s GLN 205 CO 0.36 -1.52 0.00 0.00 -2.54 0.00 0.00 175.29 171.60 1mda s THR 207 N -4.21 3.69 0.49 0.00 -4.23 -1.26 -4.99 115.64 105.14 1mda s THR 207 Ca 0.00 -1.24 0.41 0.00 -1.18 0.00 0.00 61.69 59.68 1mda s THR 207 Cb 0.00 -3.26 0.41 0.00 1.34 0.00 0.00 72.50 71.00 1mda s THR 207 CO 0.00 -0.16 2.25 1.23 -0.54 0.00 0.00 174.62 177.39 1mda h GLY 208 N 1.12 0.00 1.86 3.99 0.00 -1.95 -2.06 103.07 106.03 1mda h GLY 208 Ca -0.45 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1mda h GLY 208 CO 0.56 0.00 -0.88 0.00 0.00 0.00 0.00 176.54 176.22 1mda h ALA 209 N 2.00 0.53 -2.22 3.60 0.00 -2.03 -3.44 119.26 117.70 1mda h ALA 209 Ca 0.00 -0.75 -0.58 0.00 0.00 0.00 0.00 54.91 53.58 1mda h ALA 209 Cb 0.05 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1mda h ALA 209 CO 0.00 0.98 0.59 -0.65 0.00 0.00 0.00 179.25 180.17 1mda s GLN 210 N -3.12 4.25 -0.35 0.00 -0.21 -0.78 -5.05 119.66 114.41 1mda s GLN 210 Ca -0.02 1.15 -0.13 0.00 0.02 0.00 0.00 55.36 56.38 1mda s GLN 210 Cb 0.10 -3.62 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 1mda s GLN 210 CO 0.82 -0.51 0.25 -0.80 -2.12 0.00 0.00 175.29 172.93 1mda s ASN 211 N 1.24 6.07 -0.14 5.90 0.02 -1.26 -4.70 114.94 122.07 1mda s ASN 211 Ca 0.40 -0.44 -0.29 0.00 -1.02 0.00 0.00 52.86 51.51 1mda s ASN 211 Cb -0.16 -2.14 -0.01 0.00 0.02 0.00 0.00 41.25 38.96 1mda s ASN 211 CO 0.09 -0.26 0.99 0.00 0.02 0.00 0.00 177.10 177.93 1mda s SER 213 N 1.12 3.56 0.00 0.00 1.04 -1.07 -4.86 113.70 113.49 1mda s SER 213 Ca 0.46 2.37 0.16 0.00 0.48 0.00 0.00 55.95 59.42 1mda s SER 213 Cb -0.17 -2.59 0.86 0.00 0.10 0.00 0.00 66.02 64.22 1mda s SER 213 CO 0.15 -2.69 1.40 -1.20 0.98 0.00 0.00 173.24 171.87 1mda n SER 214 N -3.32 0.00 -3.58 7.02 7.64 -1.26 -4.41 113.62 115.71 1mda n SER 214 Ca 0.14 -0.22 -0.28 0.00 1.01 0.00 0.00 58.87 59.52 1mda n SER 214 Cb 0.50 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 1mda n SER 214 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1mda s GLN 215 N -2.29 1.17 0.32 1.43 -1.52 -1.26 -4.83 119.66 112.68 1mda s GLN 215 Ca 0.19 -2.09 -0.09 0.00 -1.95 0.00 0.00 55.36 51.42 1mda s GLN 215 Cb 0.11 -1.96 -0.07 0.00 -0.22 0.00 0.00 33.01 30.87 1mda s GLN 215 CO 0.21 -1.27 0.65 0.00 -0.25 0.00 0.00 175.29 174.64 1mda s ALA 216 N 0.14 3.47 0.25 6.09 0.00 -1.26 -4.30 121.76 126.15 1mda s ALA 216 Ca 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1mda s ALA 216 Cb -0.12 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 1mda s ALA 216 CO -0.09 0.22 0.53 0.00 0.00 0.00 0.00 175.76 176.43 1mda s ALA 217 N -2.12 3.62 -0.21 0.00 0.00 -0.87 -4.92 121.76 117.26 1mda s ALA 217 Ca 0.49 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1mda s ALA 217 Cb -0.11 -2.34 0.07 0.00 0.00 0.00 0.00 23.12 20.75 1mda s ALA 217 CO 0.27 0.40 0.51 -1.14 0.00 0.00 0.00 175.76 175.79 1mda s GLN 218 N -3.16 0.49 -0.53 0.00 2.00 -1.26 -1.31 119.66 115.90 1mda s GLN 218 Ca 0.45 0.97 -0.17 0.00 -2.00 0.00 0.00 55.36 54.61 1mda s GLN 218 Cb -0.11 0.10 0.10 0.00 0.80 0.00 0.00 33.01 33.89 1mda s GLN 218 CO 0.26 -0.17 0.53 0.00 -0.50 0.00 0.00 175.29 175.41 1mda s ALA 219 N 1.65 3.53 0.13 1.58 0.00 -0.19 -4.96 121.76 123.52 1mda s ALA 219 Ca -0.09 -2.23 -0.19 0.00 0.00 0.00 0.00 51.96 49.45 1mda s ALA 219 Cb -0.08 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1mda s ALA 219 CO -0.15 -2.00 1.70 -0.97 0.00 0.00 0.00 175.76 174.34 1mda h ASN 220 N 8.93 -0.19 -1.02 0.00 -0.00 -1.91 -2.74 115.58 118.65 1mda h ASN 220 Ca -0.29 0.07 0.31 0.00 -0.00 0.00 0.00 56.30 56.38 1mda h ASN 220 Cb 1.10 0.13 -0.14 0.00 -0.00 0.00 0.00 38.32 39.41 1mda h ASN 220 CO 0.99 -0.06 0.60 1.88 -0.00 0.00 0.00 177.43 180.84 1mda h TYR 221 N 0.02 0.91 -2.53 0.67 -1.99 -1.96 -3.26 116.97 108.83 1mda h TYR 221 Ca 0.11 0.04 -0.56 0.00 2.00 0.00 0.00 58.73 60.32 1mda h TYR 221 Cb 0.16 -0.25 -0.38 0.00 2.00 0.00 0.00 36.73 38.26 1mda h TYR 221 CO -0.23 -0.10 -0.83 -1.25 -0.00 0.00 0.00 178.16 175.75 1mda s PRO 222 N -5.65 0.54 0.00 4.88 0.04 -1.05 -5.03 135.00 128.73 1mda s PRO 222 Ca -0.10 -1.26 0.00 0.00 0.04 0.00 0.00 61.00 59.68 1mda s PRO 222 Cb 0.29 -1.24 0.00 0.00 0.04 0.00 0.00 34.50 33.60 1mda s PRO 222 CO 0.79 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1mda n GLY 223 N 4.10 0.00 3.30 0.56 0.00 -1.15 -4.71 105.19 107.30 1mda n GLY 223 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.68 1mda n GLY 223 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1mda s MET 224 N 0.00 2.96 -0.24 1.61 0.00 -1.14 -0.30 119.30 122.19 1mda s MET 224 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 55.69 53.86 1mda s MET 224 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 34.83 30.52 1mda s MET 224 CO 0.00 -1.32 0.13 -1.17 0.00 0.00 0.00 175.02 172.66 1mda s LEU 225 N 1.54 3.86 -0.14 4.11 0.20 -0.96 -1.02 118.68 126.27 1mda s LEU 225 Ca 0.04 -0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.85 1mda s LEU 225 Cb -0.29 -2.04 0.02 0.00 -0.43 0.00 0.00 46.19 43.45 1mda s LEU 225 CO 0.02 0.03 -0.13 0.68 -0.29 0.00 0.00 176.35 176.66 1mda s VAL 226 N 1.26 1.49 -0.27 1.68 -7.23 -0.43 -2.14 120.40 114.75 1mda s VAL 226 Ca 0.06 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 1mda s VAL 226 Cb -0.14 -1.40 0.08 0.00 0.56 0.00 0.00 36.38 35.47 1mda s VAL 226 CO 0.05 0.44 0.01 0.86 -0.31 0.00 0.00 175.10 176.15 1mda s TRP 227 N 1.48 2.39 0.42 2.82 -0.11 -0.12 -2.05 118.94 123.77 1mda s TRP 227 Ca 0.04 -1.91 -0.23 0.00 1.22 0.00 0.00 56.10 55.22 1mda s TRP 227 Cb -0.13 -1.81 -0.09 0.00 -1.50 0.00 0.00 33.47 29.94 1mda s TRP 227 CO -0.10 -0.82 1.04 0.00 -4.62 0.00 0.00 176.95 172.46 1mda s ALA 228 N 1.39 3.03 0.59 5.86 0.00 -1.26 -2.08 121.76 129.29 1mda s ALA 228 Ca 0.01 0.67 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1mda s ALA 228 Cb -0.18 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 19.78 1mda s ALA 228 CO -0.11 -0.23 0.77 1.33 0.00 0.00 0.00 175.76 177.52 1mda n VAL 229 N -0.33 0.00 0.00 0.00 0.24 -1.18 -2.59 118.33 114.48 1mda n VAL 229 Ca 0.06 -1.49 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 1mda n VAL 229 Cb 0.50 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 1mda n VAL 229 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mda n ALA 230 N -2.68 1.40 -0.53 2.33 0.00 0.09 -3.82 120.51 117.31 1mda n ALA 230 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1mda n ALA 230 Cb 0.51 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1mda n ALA 230 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1mda n SER 231 N -0.89 0.00 -4.19 0.00 3.41 -1.26 -4.15 113.62 106.55 1mda n SER 231 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1mda n SER 231 Cb 0.00 0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1mda n SER 231 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1mda s SER 232 N -1.24 1.33 -0.18 4.04 0.01 -1.25 -4.56 113.70 111.84 1mda s SER 232 Ca 0.00 -0.99 -0.31 0.00 1.31 0.00 0.00 55.95 55.97 1mda s SER 232 Cb 0.00 0.06 -0.08 0.00 0.21 0.00 0.00 66.02 66.21 1mda s SER 232 CO 0.00 -0.41 2.12 -0.38 0.41 0.00 0.00 173.24 174.98 1mda n ILE 233 N -0.02 0.42 -3.68 1.44 2.08 -0.44 -3.08 119.36 116.09 1mda n ILE 233 Ca -0.12 -0.31 -0.36 0.00 0.56 0.00 0.00 62.75 62.51 1mda n ILE 233 Cb 0.60 -2.23 -0.07 0.00 -0.75 0.00 0.00 39.64 37.19 1mda n ILE 233 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 1mda s LEU 234 N 6.82 4.28 -0.01 1.39 2.01 -0.88 -0.85 118.68 131.44 1mda s LEU 234 Ca 0.99 0.44 0.05 0.00 0.01 0.00 0.00 54.13 55.63 1mda s LEU 234 Cb -0.51 -2.23 -0.01 0.00 0.01 0.00 0.00 46.19 43.45 1mda s LEU 234 CO 0.42 0.22 -0.18 -1.10 1.01 0.00 0.00 176.35 176.72 1mda s GLN 235 N -0.03 1.44 -0.02 1.70 -0.21 -1.26 -0.95 119.66 120.33 1mda s GLN 235 Ca 0.14 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.90 1mda s GLN 235 Cb -0.12 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.52 1mda s GLN 235 CO 0.03 0.37 -0.00 0.20 -2.12 0.00 0.00 175.29 173.77 1mda s GLY 236 N -0.39 0.15 -0.41 3.09 0.00 -0.91 -1.42 107.32 107.42 1mda s GLY 236 Ca 0.06 0.09 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 1mda s GLY 236 CO -0.01 0.32 0.48 0.99 0.00 0.00 0.00 173.10 174.88 1mda s ASP 237 N 0.56 6.23 -0.26 1.64 1.01 0.11 -2.27 116.67 123.69 1mda s ASP 237 Ca -0.05 -0.50 -0.09 0.00 0.71 0.00 0.00 52.55 52.61 1mda s ASP 237 Cb -0.08 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1mda s ASP 237 CO -0.01 -0.59 0.14 0.27 0.21 0.00 0.00 175.17 175.19 1mda s ILE 238 N 2.29 4.92 0.36 0.77 -4.36 0.58 -0.50 121.20 125.26 1mda s ILE 238 Ca 0.15 0.04 0.07 0.00 -0.26 0.00 0.00 60.65 60.64 1mda s ILE 238 Cb -0.16 -3.32 -0.03 0.00 1.25 0.00 0.00 42.46 40.20 1mda s ILE 238 CO 0.14 0.30 0.25 -2.16 0.24 0.00 0.00 174.94 173.72 1mda s PRO 239 N 1.56 1.84 0.16 0.37 0.04 -1.19 -3.88 135.00 133.90 1mda s PRO 239 Ca 0.07 -2.09 -0.23 0.00 0.04 0.00 0.00 61.00 58.78 1mda s PRO 239 Cb -0.15 0.09 0.06 0.00 0.04 0.00 0.00 34.50 34.53 1mda s PRO 239 CO 0.07 -0.63 1.60 0.00 0.04 0.00 0.00 177.00 178.08 1mda h ALA 240 N 2.01 -0.18 -1.57 8.56 0.00 -1.97 -3.16 119.26 122.96 1mda h ALA 240 Ca -0.27 0.10 -0.60 0.00 0.00 0.00 0.00 54.91 54.14 1mda h ALA 240 Cb 1.24 0.70 -0.13 0.00 0.00 0.00 0.00 17.79 19.61 1mda h ALA 240 CO 0.40 -0.72 0.71 0.00 0.00 0.00 0.00 179.25 179.64 1mda s ALA 241 N -6.00 3.01 0.00 0.00 0.00 -1.26 -4.98 121.76 112.53 1mda s ALA 241 Ca -0.15 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1mda s ALA 241 Cb 0.13 -3.99 0.00 0.00 0.00 0.00 0.00 23.12 19.27 1mda s ALA 241 CO 0.68 -2.94 0.00 0.41 0.00 0.00 0.00 175.76 173.91 1mda n GLY 242 N 5.36 0.00 3.90 0.00 0.00 -1.19 -4.87 105.19 108.39 1mda n GLY 242 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1mda n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mda s ALA 243 N -2.37 3.60 -0.06 4.61 0.00 -1.26 -3.18 121.76 123.10 1mda s ALA 243 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 1mda s ALA 243 Cb 0.00 -2.33 0.03 0.00 0.00 0.00 0.00 23.12 20.82 1mda s ALA 243 CO 0.00 0.19 0.00 0.95 0.00 0.00 0.00 175.76 176.90 1mda s THR 244 N -2.14 0.32 0.28 0.00 -4.23 0.34 -4.94 115.64 105.27 1mda s THR 244 Ca 0.44 0.11 -0.28 0.00 -1.18 0.00 0.00 61.69 60.78 1mda s THR 244 Cb -0.11 -0.46 -0.09 0.00 1.34 0.00 0.00 72.50 73.18 1mda s THR 244 CO 0.31 0.23 0.97 -0.04 -0.54 0.00 0.00 174.62 175.54 1mda s MET 245 N 1.69 4.70 0.16 3.99 -1.94 -1.26 -0.71 119.30 125.93 1mda s MET 245 Ca 0.00 1.48 0.07 0.00 -1.71 0.00 0.00 55.69 55.53 1mda s MET 245 Cb -0.13 -3.06 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1mda s MET 245 CO -0.04 0.36 0.00 0.15 -0.01 0.00 0.00 175.02 175.49 1mda s LYS 246 N -1.58 2.43 0.29 2.03 1.02 -0.51 -4.97 119.74 118.45 1mda s LYS 246 Ca 0.45 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1mda s LYS 246 Cb -0.24 -2.38 -0.12 0.00 -0.52 0.00 0.00 37.83 34.56 1mda s LYS 246 CO 0.30 0.47 1.45 0.00 -0.92 0.00 0.00 175.35 176.65 1mda n ALA 247 N -0.03 1.75 -1.70 5.17 0.00 -1.26 -4.36 120.51 120.07 1mda n ALA 247 Ca -0.10 0.38 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 1mda n ALA 247 Cb 0.55 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.68 1mda n ALA 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda s ALA 248 N -0.35 2.54 0.02 0.00 0.00 -1.26 -4.73 121.76 117.97 1mda s ALA 248 Ca 0.63 0.91 0.03 0.00 0.00 0.00 0.00 51.96 53.53 1mda s ALA 248 Cb -0.56 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.12 1mda s ALA 248 CO 0.53 -1.13 -0.10 0.96 0.00 0.00 0.00 175.76 176.02 1mda s ILE 249 N -1.73 0.80 -0.31 0.00 -4.36 -0.03 -5.03 121.20 110.54 1mda s ILE 249 Ca 0.75 -0.68 -0.15 0.00 -0.26 0.00 0.00 60.65 60.31 1mda s ILE 249 Cb -0.28 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.69 1mda s ILE 249 CO 0.33 0.05 0.39 -1.81 0.24 0.00 0.00 174.94 174.14 1mda s ASP 250 N -0.71 6.23 0.43 4.36 1.01 -1.26 -1.33 116.67 125.41 1mda s ASP 250 Ca 0.01 0.05 0.14 0.00 0.71 0.00 0.00 52.55 53.46 1mda s ASP 250 Cb -0.06 -2.21 0.95 0.00 1.01 0.00 0.00 42.92 42.61 1mda s ASP 250 CO 0.00 -0.28 1.97 1.23 0.21 0.00 0.00 175.17 178.30 1mda h GLY 251 N 8.73 0.01 -5.97 0.21 0.00 -1.92 -3.44 103.07 100.69 1mda h GLY 251 Ca -0.30 -0.01 -0.63 0.00 0.00 0.00 0.00 47.33 46.39 1mda h GLY 251 CO 0.68 0.01 -0.52 -1.31 0.00 0.00 0.00 176.54 175.39 1mda s ASN 252 N -6.99 5.97 -1.08 0.19 0.01 -1.26 -5.03 114.94 106.75 1mda s ASN 252 Ca -0.04 0.23 -0.22 0.00 -0.71 0.00 0.00 52.86 52.12 1mda s ASN 252 Cb 0.16 -1.99 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 1mda s ASN 252 CO 0.70 0.25 1.78 -0.70 -1.51 0.00 0.00 177.10 177.63 1mda s GLU 253 N -0.08 3.06 0.00 -0.60 -6.30 -1.26 -4.78 118.70 108.74 1mda s GLU 253 Ca 0.08 -1.04 0.00 0.00 -2.50 0.00 0.00 54.97 51.52 1mda s GLU 253 Cb -0.12 -5.27 0.00 0.00 0.00 0.00 0.00 34.13 28.74 1mda s GLU 253 CO 0.01 -3.04 0.00 0.45 0.02 0.00 0.00 175.26 172.70 1mda n SER 254 N 11.80 0.00 0.07 -1.70 2.88 -1.26 0.17 113.62 125.58 1mda n SER 254 Ca 0.41 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.92 1mda n SER 254 Cb 0.48 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.14 1mda n SER 254 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1mda h GLY 255 N 0.00 0.34 1.00 0.46 0.00 -2.01 -2.95 103.07 99.91 1mda h GLY 255 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1mda h GLY 255 CO 0.00 0.29 0.36 3.21 0.00 0.00 0.00 176.54 180.40 1mda h ARG 256 N 0.26 0.91 -0.85 4.80 3.08 0.14 -2.23 114.38 120.50 1mda h ARG 256 Ca 0.03 -0.10 0.10 0.00 0.07 0.00 0.00 59.98 60.07 1mda h ARG 256 Cb 0.80 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 30.60 1mda h ARG 256 CO 0.06 0.68 0.49 0.87 -1.07 0.00 0.00 179.97 181.01 1mda h LYS 257 N 0.89 0.80 0.00 0.04 1.57 -1.68 -0.28 116.57 117.91 1mda h LYS 257 Ca 0.23 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.81 1mda h LYS 257 Cb 0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1mda h LYS 257 CO -0.04 0.53 -0.72 0.00 -0.57 0.00 0.00 179.45 178.65 1mda h ALA 258 N 1.47 0.53 0.00 3.86 0.00 -1.49 -2.92 119.26 120.70 1mda h ALA 258 Ca 0.41 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1mda h ALA 258 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1mda h ALA 258 CO -0.25 0.90 0.00 -3.47 0.00 0.00 0.00 179.25 176.43 1mda n ASP 259 N -3.28 0.00 0.00 0.00 2.03 -0.70 -4.89 116.55 109.71 1mda n ASP 259 Ca 0.01 -1.52 0.00 0.00 0.52 0.00 0.00 54.79 53.80 1mda n ASP 259 Cb 0.82 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1mda n ASP 259 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1mda n ASN 260 N -0.65 -1.41 -4.77 1.67 5.03 -0.84 -4.93 115.26 109.36 1mda n ASN 260 Ca 0.06 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.14 1mda n ASN 260 Cb 0.03 -0.23 -0.02 0.00 -1.02 0.00 0.00 39.78 38.53 1mda n ASN 260 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1mda s PHE 261 N -2.22 3.07 -0.09 3.10 0.40 -0.20 -2.38 117.98 119.67 1mda s PHE 261 Ca 0.00 1.57 -0.30 0.00 -0.60 0.00 0.00 56.93 57.61 1mda s PHE 261 Cb 0.00 -3.33 0.11 0.00 0.51 0.00 0.00 43.02 40.31 1mda s PHE 261 CO 0.00 -1.19 0.91 -0.98 0.70 0.00 0.00 175.22 174.66 1mda s ARG 262 N -2.43 0.74 0.86 0.44 1.70 0.41 -4.54 118.95 116.14 1mda s ARG 262 Ca 0.59 -0.01 -0.11 0.00 -0.47 0.00 0.00 55.73 55.72 1mda s ARG 262 Cb -0.28 0.35 0.12 0.00 -0.57 0.00 0.00 34.95 34.56 1mda s ARG 262 CO 0.35 -0.27 1.17 -1.12 -1.08 0.00 0.00 175.30 174.34 1mda s SER 263 N -1.64 3.26 0.00 -2.89 0.01 -1.26 -2.10 113.70 109.08 1mda s SER 263 Ca -0.00 2.24 0.00 0.00 1.31 0.00 0.00 55.95 59.50 1mda s SER 263 Cb -0.01 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1mda s SER 263 CO -0.01 -2.89 0.00 0.00 0.41 0.00 0.00 173.24 170.75 1mda n ALA 264 N -3.83 0.00 -2.57 1.44 0.00 -0.92 -4.83 120.51 109.80 1mda n ALA 264 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.28 1mda n ALA 264 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.81 1mda n ALA 264 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1mda s GLY 265 N 0.00 1.09 0.00 0.00 0.00 0.60 -4.29 107.32 104.72 1mda s GLY 265 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1mda s GLY 265 CO 0.00 -0.67 0.00 0.69 0.00 0.00 0.00 173.10 173.12 1mda n PHE 266 N 2.74 0.00 -2.34 1.90 3.01 -1.25 -4.31 117.46 117.21 1mda n PHE 266 Ca -0.16 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.93 1mda n PHE 266 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1mda n PHE 266 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 1mda n GLN 267 N 3.69 2.47 -0.07 -1.08 7.27 -1.19 -4.74 117.38 123.73 1mda n GLN 267 Ca 0.00 -2.91 -0.14 0.00 0.07 0.00 0.00 57.00 54.02 1mda n GLN 267 Cb 0.00 -3.60 -0.03 0.00 2.41 0.00 0.00 30.24 29.02 1mda n GLN 267 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 1mda h MET 268 N 8.51 0.85 -6.08 3.69 2.86 -1.81 -0.34 114.93 122.61 1mda h MET 268 Ca 0.35 -0.53 -0.61 0.00 -2.06 0.00 0.00 59.70 56.85 1mda h MET 268 Cb 0.90 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 1mda h MET 268 CO 1.36 1.16 -0.55 0.08 1.06 0.00 0.00 176.91 180.03 1mda s VAL 269 N -4.15 4.89 0.00 -2.22 1.01 -1.26 -1.51 120.40 117.17 1mda s VAL 269 Ca -0.10 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1mda s VAL 269 Cb 0.10 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1mda s VAL 269 CO 0.88 0.07 0.29 0.00 0.00 0.00 0.00 175.10 176.34 1mda s ALA 270 N -1.53 -0.70 -0.05 5.51 0.00 -0.82 -4.53 121.76 119.64 1mda s ALA 270 Ca 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1mda s ALA 270 Cb -0.12 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1mda s ALA 270 CO 0.25 -0.30 0.08 0.21 0.00 0.00 0.00 175.76 176.00 1mda s LYS 271 N -1.71 -0.03 -0.16 0.00 2.36 -1.26 -0.27 119.74 118.67 1mda s LYS 271 Ca -0.11 0.39 -0.19 0.00 -2.55 0.00 0.00 55.97 53.50 1mda s LYS 271 Cb -0.04 -0.38 -0.03 0.00 -1.05 0.00 0.00 37.83 36.32 1mda s LYS 271 CO 0.02 -0.28 0.55 -1.17 1.55 0.00 0.00 175.35 176.01 1mda s LEU 272 N 1.92 4.20 0.06 5.43 0.20 0.35 -4.95 118.68 125.90 1mda s LEU 272 Ca 0.01 0.80 -0.16 0.00 0.69 0.00 0.00 54.13 55.47 1mda s LEU 272 Cb -0.12 -2.78 -0.19 0.00 -0.43 0.00 0.00 46.19 42.67 1mda s LEU 272 CO -0.04 -0.14 1.23 0.50 -0.29 0.00 0.00 176.35 177.61 1mda h LYS 273 N 7.17 0.64 -0.59 1.98 3.64 -1.92 -3.20 116.57 124.30 1mda h LYS 273 Ca -0.36 -0.57 0.04 0.00 -1.27 0.00 0.00 60.65 58.49 1mda h LYS 273 Cb 1.16 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1mda h LYS 273 CO 0.75 1.18 0.39 -0.91 -2.27 0.00 0.00 179.45 178.60 1mda h ASN 274 N 0.29 0.55 -3.68 4.20 4.21 -1.93 -3.40 115.58 115.83 1mda h ASN 274 Ca -0.06 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 1mda h ASN 274 Cb 1.37 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1mda h ASN 274 CO 0.15 0.37 0.00 1.07 -1.29 0.00 0.00 177.43 177.73 1mda n THR 275 N -4.47 0.00 -2.71 2.81 5.66 -1.25 -5.04 114.28 109.28 1mda n THR 275 Ca 0.08 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.91 1mda n THR 275 Cb 0.18 -0.99 0.01 0.00 -1.55 0.00 0.00 70.33 67.98 1mda n THR 275 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1mda n ASP 276 N -2.52 2.40 -4.71 1.09 2.03 -1.25 -4.77 116.55 108.83 1mda n ASP 276 Ca 0.00 -3.08 -0.35 0.00 0.52 0.00 0.00 54.79 51.88 1mda n ASP 276 Cb 0.00 -0.53 -0.09 0.00 -0.72 0.00 0.00 41.12 39.79 1mda n ASP 276 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1mda s GLY 277 N -3.15 1.95 -0.22 0.27 0.00 -1.21 0.27 107.32 105.23 1mda s GLY 277 Ca 0.36 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 1mda s GLY 277 CO -0.05 -0.27 0.10 -1.50 0.00 0.00 0.00 173.10 171.38 1mda s ILE 278 N -0.42 4.89 -0.16 0.90 2.07 -0.50 -0.49 121.20 127.50 1mda s ILE 278 Ca 0.09 0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.25 1mda s ILE 278 Cb -0.12 -3.25 -0.05 0.00 0.13 0.00 0.00 42.46 39.17 1mda s ILE 278 CO 0.02 0.39 0.16 -0.04 -1.91 0.00 0.00 174.94 173.56 1mda s MET 279 N 0.89 3.89 -0.06 3.50 -1.94 0.63 -1.07 119.30 125.13 1mda s MET 279 Ca 0.05 -0.14 -0.03 0.00 -1.71 0.00 0.00 55.69 53.87 1mda s MET 279 Cb -0.13 -3.32 0.04 0.00 2.01 0.00 0.00 34.83 33.42 1mda s MET 279 CO 0.03 0.50 0.10 -1.50 -0.01 0.00 0.00 175.02 174.14 1mda s ILE 280 N -0.24 -0.17 0.05 2.53 1.10 -0.70 -1.95 121.20 121.82 1mda s ILE 280 Ca 0.12 0.38 -0.31 0.00 -0.51 0.00 0.00 60.65 60.34 1mda s ILE 280 Cb -0.12 -0.21 -0.05 0.00 0.15 0.00 0.00 42.46 42.23 1mda s ILE 280 CO 0.01 0.16 1.18 -0.76 -2.11 0.00 0.00 174.94 173.42 1mda s LEU 281 N 2.14 4.37 0.18 8.50 1.43 -0.57 -1.28 118.68 133.46 1mda s LEU 281 Ca 0.03 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.04 1mda s LEU 281 Cb -0.12 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 1mda s LEU 281 CO -0.04 -0.45 0.25 0.42 0.23 0.00 0.00 176.35 176.75 1mda s THR 282 N 1.07 0.04 0.00 5.49 -4.23 -0.41 -2.17 115.64 115.43 1mda s THR 282 Ca 0.58 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1mda s THR 282 Cb -0.28 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1mda s THR 282 CO 0.29 -0.19 0.00 0.55 -0.54 0.00 0.00 174.62 174.73 1mda n VAL 283 N -0.24 0.00 -2.30 2.29 3.14 -0.89 -3.05 118.33 117.28 1mda n VAL 283 Ca -0.03 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 60.98 1mda n VAL 283 Cb 0.64 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.38 1mda n VAL 283 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1mda s GLU 284 N -2.00 2.98 0.00 1.45 2.02 -1.26 -0.44 118.70 121.45 1mda s GLU 284 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1mda s GLU 284 Cb 0.00 -4.75 0.00 0.00 0.10 0.00 0.00 34.13 29.48 1mda s GLU 284 CO 0.00 -2.63 0.00 0.72 0.02 0.00 0.00 175.26 173.37 1mda n HIS 285 N 11.29 0.00 0.00 1.61 8.25 -1.00 -4.98 115.22 130.38 1mda n HIS 285 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.70 1mda n HIS 285 Cb 0.50 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1mda n HIS 285 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1mda n SER 286 N 0.00 0.00 -0.04 0.41 2.88 -1.26 -4.87 113.62 110.73 1mda n SER 286 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1mda n SER 286 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1mda n SER 286 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1mda n ARG 287 N 0.00 0.00 -0.91 -1.46 1.74 -1.26 -4.87 116.66 109.90 1mda n ARG 287 Ca 0.00 -0.54 -0.14 0.00 -0.77 0.00 0.00 57.85 56.40 1mda n ARG 287 Cb 0.00 -0.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.94 1mda n ARG 287 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1mda n SER 288 N 0.00 6.12 -0.33 0.55 7.64 -1.26 -4.72 113.62 121.61 1mda n SER 288 Ca 0.00 -2.89 0.16 0.00 1.01 0.00 0.00 58.87 57.15 1mda n SER 288 Cb 0.52 -1.13 0.39 0.00 -1.01 0.00 0.00 64.21 62.98 1mda n SER 288 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mda n LEU 290 N -4.72 1.29 -4.90 0.00 4.32 -1.26 -2.63 117.00 109.11 1mda n LEU 290 Ca 0.24 -0.42 -0.29 0.00 -0.02 0.00 0.00 56.01 55.52 1mda n LEU 290 Cb 0.67 -0.01 0.04 0.00 -1.62 0.00 0.00 43.42 42.50 1mda n LEU 290 CO 0.23 0.22 0.66 0.00 -1.22 0.00 0.00 177.39 177.28 1mda s ALA 291 N -2.04 3.06 0.48 -1.18 0.00 -1.01 -4.30 121.76 116.76 1mda s ALA 291 Ca 0.38 -0.51 -0.21 0.00 0.00 0.00 0.00 51.96 51.62 1mda s ALA 291 Cb 0.21 -2.84 -0.08 0.00 0.00 0.00 0.00 23.12 20.41 1mda s ALA 291 CO 0.35 -1.03 1.06 0.00 0.00 0.00 0.00 175.76 176.15 1mda s ALA 292 N -3.22 2.89 0.02 0.00 0.00 -1.26 -0.29 121.76 119.91 1mda s ALA 292 Ca 0.57 0.68 0.05 0.00 0.00 0.00 0.00 51.96 53.26 1mda s ALA 292 Cb -0.11 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1mda s ALA 292 CO 0.49 -0.38 -0.14 0.00 0.00 0.00 0.00 175.76 175.73 1mda s ALA 293 N -1.86 2.76 -1.26 0.00 0.00 0.74 -4.83 121.76 117.31 1mda s ALA 293 Ca 0.66 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.74 1mda s ALA 293 Cb -0.19 -0.90 0.19 0.00 0.00 0.00 0.00 23.12 22.22 1mda s ALA 293 CO 0.23 0.59 1.20 0.39 0.00 0.00 0.00 175.76 178.17 1mda n GLU 294 N 1.60 0.30 -4.27 0.00 1.02 -1.26 -1.19 120.64 116.84 1mda n GLU 294 Ca -0.16 -0.22 -0.15 0.00 -0.02 0.00 0.00 57.16 56.62 1mda n GLU 294 Cb 0.52 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.35 1mda n GLU 294 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1mda s ASN 295 N -2.85 1.68 -0.08 1.62 0.01 -1.17 -1.05 114.94 113.10 1mda s ASN 295 Ca 0.13 -1.09 -0.03 0.00 -0.71 0.00 0.00 52.86 51.15 1mda s ASN 295 Cb 0.17 0.02 0.04 0.00 0.41 0.00 0.00 41.25 41.90 1mda s ASN 295 CO 0.72 -0.42 0.15 0.28 -1.51 0.00 0.00 177.10 176.32 1mda s THR 296 N -3.42 -0.20 -0.13 1.60 -1.32 0.93 -1.29 115.64 111.81 1mda s THR 296 Ca 0.21 0.31 -0.04 0.00 -1.21 0.00 0.00 61.69 60.95 1mda s THR 296 Cb 0.04 -0.28 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 1mda s THR 296 CO 0.03 0.13 0.01 -0.94 -2.21 0.00 0.00 174.62 171.64 1mda s SER 297 N 1.97 5.27 -0.13 8.08 1.04 -0.40 -3.24 113.70 126.28 1mda s SER 297 Ca -0.00 0.07 -0.07 0.00 0.48 0.00 0.00 55.95 56.42 1mda s SER 297 Cb -0.12 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 1mda s SER 297 CO -0.06 0.27 0.13 -0.44 0.98 0.00 0.00 173.24 174.12 1mda s SER 298 N -0.23 6.29 0.06 7.02 0.01 -1.12 -1.72 113.70 124.02 1mda s SER 298 Ca 0.06 0.40 0.04 0.00 1.31 0.00 0.00 55.95 57.76 1mda s SER 298 Cb -0.12 -2.05 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1mda s SER 298 CO 0.02 0.36 -0.11 0.68 0.41 0.00 0.00 173.24 174.60 1mda s VAL 299 N -0.73 0.84 -0.19 3.43 -7.23 -0.23 -1.80 120.40 114.49 1mda s VAL 299 Ca 0.13 -1.25 -0.26 0.00 -1.81 0.00 0.00 61.98 58.80 1mda s VAL 299 Cb -0.12 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.91 1mda s VAL 299 CO 0.03 -0.33 0.87 -0.89 -0.31 0.00 0.00 175.10 174.47 1mda s THR 300 N -1.46 4.84 0.41 5.32 2.01 -0.27 -1.41 115.64 125.08 1mda s THR 300 Ca -0.05 1.71 0.29 0.00 0.31 0.00 0.00 61.69 63.95 1mda s THR 300 Cb -0.09 -4.17 0.32 0.00 0.01 0.00 0.00 72.50 68.57 1mda s THR 300 CO 0.01 -0.03 2.09 0.00 -0.69 0.00 0.00 174.62 176.01 1mda h ALA 301 N 7.41 1.24 0.00 7.40 0.00 0.34 -3.06 119.26 132.59 1mda h ALA 301 Ca -0.27 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1mda h ALA 301 Cb 1.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1mda h ALA 301 CO 0.87 0.12 -0.68 1.03 0.00 0.00 0.00 179.25 180.58 1mda h SER 302 N 0.00 0.00 -3.50 0.00 0.87 -1.93 -3.43 113.55 105.56 1mda h SER 302 Ca -0.00 -0.72 -0.72 0.00 -1.23 0.00 0.00 61.79 59.11 1mda h SER 302 Cb 0.31 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 61.97 1mda h SER 302 CO 0.01 1.26 -0.35 -0.69 -0.53 0.00 0.00 176.83 176.53 1mda s VAL 303 N -2.29 4.18 -0.18 2.23 1.01 -1.21 -4.99 120.40 119.14 1mda s VAL 303 Ca -0.24 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 59.66 1mda s VAL 303 Cb 0.02 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1mda s VAL 303 CO 0.63 -0.81 0.00 0.61 0.00 0.00 0.00 175.10 175.53 1mda n GLY 304 N 4.55 0.00 3.78 4.51 0.00 -1.16 -3.81 105.19 113.07 1mda n GLY 304 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1mda n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mda s GLN 305 N 0.26 4.54 -0.25 1.61 -2.07 -1.26 -4.72 119.66 117.78 1mda s GLN 305 Ca 0.00 1.21 -0.28 0.00 -1.82 0.00 0.00 55.36 54.47 1mda s GLN 305 Cb 0.00 -2.97 0.01 0.00 -1.09 0.00 0.00 33.01 28.96 1mda s GLN 305 CO 0.00 0.39 1.02 -0.08 -1.32 0.00 0.00 175.29 175.31 1mda s THR 306 N -1.45 4.67 -0.13 3.63 -1.32 -1.26 -1.12 115.64 118.66 1mda s THR 306 Ca 0.45 1.93 0.20 0.00 -1.21 0.00 0.00 61.69 63.05 1mda s THR 306 Cb -0.20 -4.31 -0.19 0.00 -1.51 0.00 0.00 72.50 66.29 1mda s THR 306 CO 0.25 -0.22 0.64 -1.20 -2.21 0.00 0.00 174.62 171.88 1mda n SER 307 N 6.37 0.44 -3.85 8.08 7.64 -0.74 -4.99 113.62 126.57 1mda n SER 307 Ca 0.11 0.18 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 1mda n SER 307 Cb 0.46 0.95 -0.07 0.00 -1.01 0.00 0.00 64.21 64.54 1mda n SER 307 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1mda s GLY 308 N -4.73 0.09 0.00 0.23 0.00 -1.09 -4.98 107.32 96.84 1mda s GLY 308 Ca -0.05 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.06 1mda s GLY 308 CO 0.84 -0.79 0.00 -1.55 0.00 0.00 0.00 173.10 171.60 1mda n PRO 309 N -0.07 0.00 -2.67 2.90 -0.04 -1.26 -2.78 135.00 131.08 1mda n PRO 309 Ca -0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1mda n PRO 309 Cb 0.62 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.07 1mda n PRO 309 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1mda n ILE 310 N 0.00-12.27 -3.06 0.52 5.41 -1.20 -4.10 119.36 104.66 1mda n ILE 310 Ca 0.00 2.10 -0.44 0.00 1.00 0.00 0.00 62.75 65.42 1mda n ILE 310 Cb 0.00 -6.83 -0.05 0.00 -0.71 0.00 0.00 39.64 32.04 1mda n ILE 310 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1mda s SER 311 N -1.37 6.24 0.55 4.38 0.01 -1.26 -0.05 113.70 122.20 1mda s SER 311 Ca -0.08 -0.85 0.33 0.00 1.31 0.00 0.00 55.95 56.67 1mda s SER 311 Cb 0.01 -2.33 1.49 0.00 0.21 0.00 0.00 66.02 65.39 1mda s SER 311 CO 0.79 -1.03 2.04 0.78 0.41 0.00 0.00 173.24 176.22 1mda h ASN 312 N 9.13 0.00 0.00 2.44 2.35 -1.45 -3.46 115.58 124.59 1mda h ASN 312 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1mda h ASN 312 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1mda h ASN 312 CO 1.02 0.05 0.00 0.61 -1.65 0.00 0.00 177.43 177.46 1mda n GLY 313 N -0.22 0.93 3.26 2.83 0.00 -1.26 -4.97 105.19 105.76 1mda n GLY 313 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1mda n GLY 313 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mda s HIS 314 N -3.43 0.07 -0.94 1.61 3.76 -1.26 -5.09 115.29 110.00 1mda s HIS 314 Ca 0.00 -0.46 -0.24 0.00 -0.15 0.00 0.00 55.06 54.21 1mda s HIS 314 Cb 0.00 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.76 1mda s HIS 314 CO 0.00 -0.62 1.54 -0.51 -0.85 0.00 0.00 174.74 174.31 1mda s ASP 315 N -2.86 6.13 -0.08 1.40 1.11 -1.26 -4.30 116.67 116.82 1mda s ASP 315 Ca 0.06 -1.09 -0.10 0.00 0.18 0.00 0.00 52.55 51.60 1mda s ASP 315 Cb 0.04 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 1mda s ASP 315 CO -0.10 -1.84 0.25 -0.44 1.18 0.00 0.00 175.17 174.22 1mda s SER 316 N 5.56 6.55 -0.12 0.27 0.01 -0.33 -4.48 113.70 121.16 1mda s SER 316 Ca 0.50 0.66 0.14 0.00 1.31 0.00 0.00 55.95 58.55 1mda s SER 316 Cb -0.03 -2.14 -0.19 0.00 0.21 0.00 0.00 66.02 63.86 1mda s SER 316 CO -0.04 0.36 0.12 0.47 0.41 0.00 0.00 173.24 174.56 1mda n ASP 317 N 2.02 1.41 -3.84 2.44 9.92 0.78 -0.19 116.55 129.09 1mda n ASP 317 Ca -0.17 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 53.97 1mda n ASP 317 Cb 0.54 1.05 -0.11 0.00 -0.64 0.00 0.00 41.12 41.97 1mda n ASP 317 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mda s ALA 318 N -2.52 -0.40 0.18 2.24 0.00 -0.69 -3.20 121.76 117.38 1mda s ALA 318 Ca -0.07 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.03 1mda s ALA 318 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1mda s ALA 318 CO 0.61 -0.17 0.05 0.96 0.00 0.00 0.00 175.76 177.22 1mda s ILE 319 N -0.83 0.40 0.12 0.00 -4.36 -0.14 -0.03 121.20 116.37 1mda s ILE 319 Ca -0.09 -1.97 -0.23 0.00 -0.26 0.00 0.00 60.65 58.11 1mda s ILE 319 Cb -0.05 -2.26 0.08 0.00 1.25 0.00 0.00 42.46 41.48 1mda s ILE 319 CO 0.01 -0.31 1.06 2.30 0.24 0.00 0.00 174.94 178.24 1mda n ILE 320 N -0.25 0.00 -3.93 8.37 -5.35 -1.09 -4.73 119.36 112.38 1mda n ILE 320 Ca -0.04 -0.42 -0.09 0.00 -0.27 0.00 0.00 62.75 61.93 1mda n ILE 320 Cb 0.64 0.68 -0.09 0.00 -1.74 0.00 0.00 39.64 39.13 1mda n ILE 320 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1mda s ALA 321 N -1.98 -0.04 -0.05 -1.28 0.00 -1.26 -0.86 121.76 116.30 1mda s ALA 321 Ca 0.24 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.30 1mda s ALA 321 Cb -0.02 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1mda s ALA 321 CO 0.03 -0.33 1.21 0.00 0.00 0.00 0.00 175.76 176.67 1mda s ALA 322 N -2.76 3.49 -0.25 0.00 0.00 -0.64 -4.87 121.76 116.74 1mda s ALA 322 Ca -0.04 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1mda s ALA 322 Cb -0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 1mda s ALA 322 CO -0.05 -0.75 0.64 1.04 0.00 0.00 0.00 175.76 176.64 1mda n GLN 323 N 5.14 0.73 -3.83 0.00 3.00 -1.26 -4.58 117.38 116.58 1mda n GLN 323 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.84 1mda n GLN 323 Cb 0.46 -1.19 -0.00 0.00 0.00 0.00 0.00 30.24 29.50 1mda n GLN 323 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1mda s ASP 324 N 0.69 4.67 0.25 1.08 -4.77 -1.26 -4.70 116.67 112.63 1mda s ASP 324 Ca 0.00 -1.20 -0.09 0.00 -3.30 0.00 0.00 52.55 47.96 1mda s ASP 324 Cb 0.00 0.35 0.40 0.00 -1.09 0.00 0.00 42.92 42.59 1mda s ASP 324 CO 0.00 -1.09 1.60 1.23 0.70 0.00 0.00 175.17 177.61 1mda h GLY 325 N 0.74 0.71 -7.29 2.12 0.00 -1.95 -3.26 103.07 94.13 1mda h GLY 325 Ca -0.37 0.22 -0.61 0.00 0.00 0.00 0.00 47.33 46.57 1mda h GLY 325 CO 0.57 -0.32 -0.74 0.00 0.00 0.00 0.00 176.54 176.05 1mda s ALA 326 N -6.19 2.12 0.33 3.60 0.00 -1.26 -5.06 121.76 115.30 1mda s ALA 326 Ca -0.14 -2.16 -0.22 0.00 0.00 0.00 0.00 51.96 49.44 1mda s ALA 326 Cb 0.23 -1.80 -0.10 0.00 0.00 0.00 0.00 23.12 21.46 1mda s ALA 326 CO 0.76 -1.76 0.88 -1.12 0.00 0.00 0.00 175.76 174.52 1mda s SER 327 N 1.10 7.12 -0.11 0.00 0.01 -1.23 -5.00 113.70 115.59 1mda s SER 327 Ca 0.12 1.66 -0.09 0.00 1.31 0.00 0.00 55.95 58.95 1mda s SER 327 Cb -0.19 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 1mda s SER 327 CO -0.15 -0.14 0.18 -1.81 0.41 0.00 0.00 173.24 171.74 1mda s ASP 328 N -1.84 6.45 -0.25 2.44 1.01 -1.26 -1.26 116.67 121.96 1mda s ASP 328 Ca 0.52 0.54 -0.11 0.00 0.71 0.00 0.00 52.55 54.20 1mda s ASP 328 Cb -0.15 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.63 1mda s ASP 328 CO 0.20 0.38 0.20 0.21 0.21 0.00 0.00 175.17 176.36 1mda s ASN 329 N -0.93 6.11 -0.15 0.27 3.04 0.57 -1.62 114.94 122.24 1mda s ASN 329 Ca 0.16 0.10 -0.14 0.00 0.04 0.00 0.00 52.86 53.02 1mda s ASN 329 Cb -0.13 -2.12 -0.05 0.00 -1.54 0.00 0.00 41.25 37.41 1mda s ASN 329 CO 0.05 0.00 0.30 -0.31 -3.04 0.00 0.00 177.10 174.10 1mda s TYR 330 N 1.38 3.48 -0.19 0.43 2.02 -0.04 -1.05 117.35 123.39 1mda s TYR 330 Ca 0.08 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1mda s TYR 330 Cb -0.15 -2.33 0.04 0.00 -0.40 0.00 0.00 41.96 39.13 1mda s TYR 330 CO 0.07 0.28 -0.08 0.00 -1.57 0.00 0.00 175.55 174.25 1mda s ALA 331 N 0.33 1.80 -0.28 3.71 0.00 0.19 -2.67 121.76 124.83 1mda s ALA 331 Ca 0.17 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1mda s ALA 331 Cb -0.13 -1.23 -0.02 0.00 0.00 0.00 0.00 23.12 21.74 1mda s ALA 331 CO 0.04 -0.83 0.12 1.21 0.00 0.00 0.00 175.76 176.31 1mda s ASN 332 N 1.49 5.43 -0.24 0.00 2.47 0.96 0.10 114.94 125.14 1mda s ASN 332 Ca -0.01 -0.37 -0.15 0.00 0.42 0.00 0.00 52.86 52.75 1mda s ASN 332 Cb -0.16 -1.98 -0.04 0.00 -1.45 0.00 0.00 41.25 37.62 1mda s ASN 332 CO -0.08 -0.12 0.38 -0.55 -3.72 0.00 0.00 177.10 173.01 1mda s SER 333 N 1.62 6.32 0.13 -4.21 0.15 -1.03 -0.16 113.70 116.52 1mda s SER 333 Ca 0.05 0.37 0.01 0.00 0.70 0.00 0.00 55.95 57.08 1mda s SER 333 Cb -0.16 -2.22 -0.11 0.00 -1.71 0.00 0.00 66.02 61.82 1mda s SER 333 CO 0.06 -0.14 1.30 0.00 1.20 0.00 0.00 173.24 175.65 1mda h ALA 334 N 7.86 0.38 -0.42 5.45 0.00 -1.83 -3.03 119.26 127.67 1mda h ALA 334 Ca -0.33 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 53.66 1mda h ALA 334 Cb 1.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1mda h ALA 334 CO 0.67 0.96 -0.26 0.78 0.00 0.00 0.00 179.25 181.40 1mda h GLY 335 N 1.86 0.97 -1.53 0.00 0.00 -1.90 -3.19 103.07 99.27 1mda h GLY 335 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1mda h GLY 335 CO 0.15 0.80 0.00 -1.30 0.00 0.00 0.00 176.54 176.19 1mda n THR 336 N -4.09 0.06 -4.06 4.70 -2.24 -1.25 -4.96 114.28 102.44 1mda n THR 336 Ca -0.00 -0.45 -0.33 0.00 -2.27 0.00 0.00 64.05 61.00 1mda n THR 336 Cb 0.47 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 1mda n THR 336 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1mda n GLU 337 N 1.01 -4.45 -4.13 -0.78 4.71 -1.15 -4.68 120.64 111.17 1mda n GLU 337 Ca 0.16 0.49 -0.16 0.00 -0.01 0.00 0.00 57.16 57.65 1mda n GLU 337 Cb 0.52 -5.30 -0.14 0.00 -1.01 0.00 0.00 31.44 25.51 1mda n GLU 337 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1mda s VAL 338 N -3.30 0.38 -0.33 2.62 0.11 -1.22 -1.10 120.40 117.55 1mda s VAL 338 Ca 0.69 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 59.42 1mda s VAL 338 Cb -0.36 -0.32 -0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1mda s VAL 338 CO 0.88 0.11 0.21 -0.22 -3.33 0.00 0.00 175.10 172.75 1mda s LEU 339 N -0.09 4.41 -0.28 2.54 2.96 0.15 -2.48 118.68 125.89 1mda s LEU 339 Ca 0.02 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.28 1mda s LEU 339 Cb -0.02 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1mda s LEU 339 CO -0.00 -0.23 0.44 -1.81 -1.32 0.00 0.00 176.35 173.43 1mda s ASP 340 N 1.68 6.32 -0.20 3.68 1.01 0.28 -1.30 116.67 128.15 1mda s ASP 340 Ca 0.05 0.31 -0.07 0.00 0.71 0.00 0.00 52.55 53.55 1mda s ASP 340 Cb -0.17 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1mda s ASP 340 CO 0.09 -0.27 0.06 -0.51 0.21 0.00 0.00 175.17 174.75 1mda s ILE 341 N 2.20 4.60 0.25 0.77 1.10 -1.22 0.55 121.20 129.44 1mda s ILE 341 Ca 0.18 -0.09 0.05 0.00 -0.51 0.00 0.00 60.65 60.27 1mda s ILE 341 Cb -0.16 -3.09 -0.05 0.00 0.15 0.00 0.00 42.46 39.31 1mda s ILE 341 CO 0.10 0.42 -0.04 -0.31 -2.11 0.00 0.00 174.94 173.00 1mda s TYR 342 N 0.77 1.72 -0.18 3.50 1.51 -0.21 -0.03 117.35 124.43 1mda s TYR 342 Ca 0.03 -0.80 -0.27 0.00 -1.01 0.00 0.00 57.07 55.02 1mda s TYR 342 Cb -0.13 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 1mda s TYR 342 CO 0.02 0.12 0.91 0.34 -1.11 0.00 0.00 175.55 175.84 1mda s ASP 343 N -3.36 7.04 0.00 2.29 2.15 0.62 -0.31 116.67 125.09 1mda s ASP 343 Ca 0.28 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.54 1mda s ASP 343 Cb 0.04 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 1mda s ASP 343 CO 0.10 -0.48 0.03 0.00 -0.17 0.00 0.00 175.17 174.64 1mda n ALA 344 N 5.50 1.08 -2.63 3.66 0.00 -0.39 -0.53 120.51 127.20 1mda n ALA 344 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 1mda n ALA 344 Cb 0.48 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.96 1mda n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mda n ALA 345 N 0.46 3.48 0.00 0.00 0.00 -1.26 -5.01 120.51 118.19 1mda n ALA 345 Ca 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.24 1mda n ALA 345 Cb 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1mda n ALA 345 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1mda n SER 346 N -0.39 0.00 -4.69 0.00 7.64 0.31 -5.08 113.62 111.41 1mda n SER 346 Ca 0.16 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.60 1mda n SER 346 Cb 0.81 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.99 1mda n SER 346 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1mda n ASP 347 N 3.55 2.99 -4.69 6.43 2.03 -1.25 -4.58 116.55 121.02 1mda n ASP 347 Ca 0.00 1.16 -0.42 0.00 0.52 0.00 0.00 54.79 56.04 1mda n ASP 347 Cb 0.00 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 38.90 1mda n ASP 347 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1mda s GLN 348 N -0.70 4.45 -0.05 -0.67 0.74 -1.26 -0.28 119.66 121.89 1mda s GLN 348 Ca 0.65 1.42 -0.04 0.00 0.05 0.00 0.00 55.36 57.43 1mda s GLN 348 Cb -0.60 -3.53 -0.01 0.00 1.10 0.00 0.00 33.01 29.97 1mda s GLN 348 CO 0.52 -0.27 -0.09 -0.25 -0.55 0.00 0.00 175.29 174.65 1mda n ASP 349 N 4.80 0.59 -2.94 6.67 8.00 0.95 -4.95 116.55 129.67 1mda n ASP 349 Ca 0.08 0.22 -0.07 0.00 0.71 0.00 0.00 54.79 55.73 1mda n ASP 349 Cb 0.49 -0.59 0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1mda n ASP 349 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mda n GLN 350 N -3.07 1.02 -3.64 -1.24 3.00 -1.15 -5.04 117.38 107.26 1mda n GLN 350 Ca -0.03 -1.05 -0.09 0.00 -0.01 0.00 0.00 57.00 55.82 1mda n GLN 350 Cb 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.30 1mda n GLN 350 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1mda s SER 351 N -2.11 -0.44 -0.27 1.08 0.15 -1.26 -3.45 113.70 107.39 1mda s SER 351 Ca 0.16 0.84 -0.02 0.00 0.70 0.00 0.00 55.95 57.63 1mda s SER 351 Cb -0.01 0.87 0.09 0.00 -1.71 0.00 0.00 66.02 65.25 1mda s SER 351 CO 0.10 -0.15 0.08 -0.55 1.20 0.00 0.00 173.24 173.93 1mda s SER 352 N 0.26 3.57 0.68 5.45 0.15 -0.42 -4.97 113.70 118.43 1mda s SER 352 Ca 0.03 -1.30 -0.10 0.00 0.70 0.00 0.00 55.95 55.28 1mda s SER 352 Cb -0.05 -0.67 0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1mda s SER 352 CO -0.07 -0.39 1.04 0.54 1.20 0.00 0.00 173.24 175.57 1mda s VAL 353 N 1.80 3.41 -1.57 4.45 0.11 -1.26 -0.67 120.40 126.67 1mda s VAL 353 Ca 0.06 0.29 -0.13 0.00 -2.93 0.00 0.00 61.98 59.27 1mda s VAL 353 Cb -0.17 -3.43 0.10 0.00 -1.53 0.00 0.00 36.38 31.35 1mda s VAL 353 CO -0.22 -0.53 0.86 -1.84 -3.33 0.00 0.00 175.10 170.04 1mda n GLU 354 N -2.90 -4.52 -1.01 1.54 0.28 -0.95 -4.83 120.64 108.25 1mda n GLU 354 Ca 0.06 0.51 -0.17 0.00 -0.16 0.00 0.00 57.16 57.40 1mda n GLU 354 Cb 0.58 -5.26 -0.01 0.00 1.43 0.00 0.00 31.44 28.18 1mda n GLU 354 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1mda n LEU 355 N -4.54 6.27 -0.62 -1.84 4.77 -0.26 -4.96 117.00 115.82 1mda n LEU 355 Ca 0.00 -3.39 -0.06 0.00 -0.03 0.00 0.00 56.01 52.53 1mda n LEU 355 Cb 0.54 -1.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.49 1mda n LEU 355 CO 0.79 1.37 -0.11 0.47 -1.33 0.00 0.00 177.39 178.57 1mda n ASP 356 N 0.76 -0.60 0.00 -1.43 8.00 -1.26 -4.22 116.55 117.80 1mda n ASP 356 Ca 0.33 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.91 1mda n ASP 356 Cb 0.59 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1mda n ASP 356 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mda n LYS 357 N 0.25 0.00 -2.83 -1.24 4.01 -1.26 -4.62 118.16 112.47 1mda n LYS 357 Ca 0.01 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.74 1mda n LYS 357 Cb 0.07 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.59 1mda n LYS 357 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1mda n GLY 358 N 0.00 -0.28 3.76 0.72 0.00 -1.26 -4.88 105.19 103.26 1mda n GLY 358 Ca 0.00 0.27 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 1mda n GLY 358 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mda s PRO 359 N 0.78 3.64 0.00 1.61 0.04 -1.26 -3.69 135.00 136.12 1mda s PRO 359 Ca 0.30 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.32 1mda s PRO 359 Cb 0.01 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1mda s PRO 359 CO -0.07 -0.71 0.00 0.39 0.04 0.00 0.00 177.00 176.65 1mda n GLU 360 N -0.49 0.01 -4.26 4.56 1.02 -0.44 -4.20 120.64 116.83 1mda n GLU 360 Ca 0.07 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 1mda n GLU 360 Cb 0.46 -0.50 -0.09 0.00 -0.02 0.00 0.00 31.44 31.29 1mda n GLU 360 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1mda s SER 361 N -2.10 5.44 -0.08 1.62 0.01 -1.21 -4.64 113.70 112.73 1mda s SER 361 Ca 0.00 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.47 1mda s SER 361 Cb 0.00 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.66 1mda s SER 361 CO 0.00 0.36 -0.20 -0.76 0.41 0.00 0.00 173.24 173.05 1mda s LEU 362 N -1.11 2.36 -0.00 2.44 1.02 -1.26 -1.55 118.68 120.58 1mda s LEU 362 Ca 0.16 -0.42 -0.00 0.00 0.02 0.00 0.00 54.13 53.89 1mda s LEU 362 Cb -0.12 -1.47 -0.00 0.00 0.02 0.00 0.00 46.19 44.62 1mda s LEU 362 CO 0.05 0.22 0.01 -0.44 0.02 0.00 0.00 176.35 176.21 1mda s SER 363 N -0.02 0.00 0.12 2.29 0.01 -1.06 -4.98 113.70 110.06 1mda s SER 363 Ca -0.06 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.23 1mda s SER 363 Cb -0.15 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 1mda s SER 363 CO 0.05 -0.02 -0.09 0.68 0.41 0.00 0.00 173.24 174.27 1mda s VAL 364 N -0.06 1.01 0.04 3.43 -7.23 -1.26 -1.58 120.40 114.75 1mda s VAL 364 Ca -0.01 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1mda s VAL 364 Cb -0.00 -1.68 -0.06 0.00 0.56 0.00 0.00 36.38 35.20 1mda s VAL 364 CO -0.00 -0.72 0.38 0.00 -0.31 0.00 0.00 175.10 174.45 1mda s GLN 365 N -3.49 3.79 -0.95 4.82 0.00 -1.26 -4.92 119.66 117.64 1mda s GLN 365 Ca 0.13 0.23 -0.16 0.00 -0.00 0.00 0.00 55.36 55.56 1mda s GLN 365 Cb 0.02 -3.09 0.17 0.00 0.00 0.00 0.00 33.01 30.11 1mda s GLN 365 CO -0.01 0.62 1.06 1.21 0.00 0.00 0.00 175.29 178.18 1mda s ASN 366 N -1.48 6.78 -0.03 12.60 3.84 -1.25 -4.50 114.94 130.91 1mda s ASN 366 Ca 0.28 -2.49 -0.07 0.00 0.21 0.00 0.00 52.86 50.80 1mda s ASN 366 Cb -0.15 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.18 1mda s ASN 366 CO 0.15 -0.82 0.23 -1.61 -2.79 0.00 0.00 177.10 172.27 1mda s GLU 367 N 1.49 3.56 0.00 0.43 2.02 -1.25 -4.53 118.70 120.42 1mda s GLU 367 Ca 0.30 -0.07 0.29 0.00 0.02 0.00 0.00 54.97 55.51 1mda s GLU 367 Cb -0.06 -3.13 1.72 0.00 0.10 0.00 0.00 34.13 32.76 1mda s GLU 367 CO -0.08 0.70 2.06 0.00 0.02 0.00 0.00 175.26 177.95