#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mt1 s GLU 3 N 0.00 2.88 0.61 9.51 2.02 -1.26 -5.12 118.70 127.34 3mt1 s GLU 3 Ca 0.00 -0.88 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 3mt1 s GLU 3 Cb 0.00 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 3mt1 s GLU 3 CO 0.00 0.48 1.03 0.95 0.02 0.00 0.00 175.26 177.74 3mt1 s THR 4 N -1.75 4.53 0.46 3.63 -4.23 -1.26 -4.31 115.64 112.70 3mt1 s THR 4 Ca 0.31 0.91 -0.13 0.00 -1.18 0.00 0.00 61.69 61.59 3mt1 s THR 4 Cb -0.10 -3.75 -0.07 0.00 1.34 0.00 0.00 72.50 69.92 3mt1 s THR 4 CO 0.23 -0.99 0.87 -2.16 -0.54 0.00 0.00 174.62 172.03 3mt1 s PRO 5 N -4.90 3.86 0.03 3.99 0.04 -1.26 -4.99 135.00 131.77 3mt1 s PRO 5 Ca 0.57 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 3mt1 s PRO 5 Cb -0.11 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.18 3mt1 s PRO 5 CO 0.49 -0.15 0.33 1.52 0.04 0.00 0.00 177.00 179.23 3mt1 s TYR 6 N -2.49 -0.15 -0.14 0.56 -0.85 -1.09 -2.40 117.35 110.80 3mt1 s TYR 6 Ca 0.55 0.07 -0.20 0.00 -0.52 0.00 0.00 57.07 56.96 3mt1 s TYR 6 Cb -0.10 0.12 -0.04 0.00 0.38 0.00 0.00 41.96 42.32 3mt1 s TYR 6 CO 0.31 -0.50 0.57 0.71 -1.52 0.00 0.00 175.55 175.12 3mt1 s TYR 7 N -2.35 3.47 -0.30 -3.49 1.51 -0.45 -0.29 117.35 115.46 3mt1 s TYR 7 Ca -0.06 0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 56.92 3mt1 s TYR 7 Cb -0.01 -2.69 0.04 0.00 -0.11 0.00 0.00 41.96 39.19 3mt1 s TYR 7 CO -0.02 0.03 0.04 -1.17 -1.11 0.00 0.00 175.55 173.32 3mt1 s LEU 8 N 1.12 3.92 -0.32 -1.29 2.96 0.17 -0.99 118.68 124.24 3mt1 s LEU 8 Ca 0.29 -1.08 -0.20 0.00 -0.22 0.00 0.00 54.13 52.93 3mt1 s LEU 8 Cb -0.16 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 3mt1 s LEU 8 CO 0.12 -0.25 0.61 -0.63 -1.32 0.00 0.00 176.35 174.88 3mt1 s ILE 9 N 1.35 4.94 -0.51 6.68 1.01 0.22 -1.71 121.20 133.18 3mt1 s ILE 9 Ca -0.02 0.70 -0.28 0.00 0.00 0.00 0.00 60.65 61.05 3mt1 s ILE 9 Cb -0.19 -4.01 0.03 0.00 0.01 0.00 0.00 42.46 38.30 3mt1 s ILE 9 CO 0.00 -0.19 1.14 -0.62 0.00 0.00 0.00 174.94 175.27 3mt1 s ASP 10 N 1.70 6.56 0.20 3.58 2.15 -0.52 -0.24 116.67 130.09 3mt1 s ASP 10 Ca 0.24 0.31 -0.11 0.00 0.43 0.00 0.00 52.55 53.41 3mt1 s ASP 10 Cb -0.15 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.18 3mt1 s ASP 10 CO 0.13 -1.32 1.69 0.50 -0.17 0.00 0.00 175.17 176.00 3mt1 h LYS 11 N 9.34 0.19 -0.48 4.34 3.64 -1.38 -1.21 116.57 131.01 3mt1 h LYS 11 Ca -0.24 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 3mt1 h LYS 11 Cb 1.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 3mt1 h LYS 11 CO 1.14 0.12 0.04 0.00 -2.27 0.00 0.00 179.45 178.49 3mt1 h ALA 12 N 1.47 1.17 -0.01 5.00 0.00 -1.90 -1.70 119.26 123.29 3mt1 h ALA 12 Ca 0.29 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3mt1 h ALA 12 Cb 0.43 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mt1 h ALA 12 CO -0.41 0.54 -0.93 0.87 0.00 0.00 0.00 179.25 179.32 3mt1 h LYS 13 N 0.72 0.43 -0.08 0.00 1.57 -1.73 -1.92 116.57 115.57 3mt1 h LYS 13 Ca 0.15 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.47 3mt1 h LYS 13 Cb 0.39 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3mt1 h LYS 13 CO 0.01 1.11 0.04 1.25 -0.57 0.00 0.00 179.45 181.29 3mt1 h LEU 14 N 0.25 0.10 -0.73 2.94 5.85 -1.18 -2.77 115.31 119.77 3mt1 h LEU 14 Ca -0.08 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.61 3mt1 h LEU 14 Cb 1.56 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.50 3mt1 h LEU 14 CO 0.16 0.19 0.38 0.74 -0.34 0.00 0.00 178.44 179.57 3mt1 h THR 15 N 0.01 0.89 -0.70 1.05 2.02 -1.26 -0.55 112.91 114.36 3mt1 h THR 15 Ca 0.03 -0.23 0.15 0.00 0.77 0.00 0.00 66.41 67.13 3mt1 h THR 15 Cb 0.11 0.17 -0.13 0.00 -1.74 0.00 0.00 68.15 66.56 3mt1 h THR 15 CO -0.00 0.12 -0.09 -0.09 0.37 0.00 0.00 175.52 175.82 3mt1 h ARG 16 N 0.66 0.04 -1.40 6.66 2.43 -1.18 0.50 114.38 122.10 3mt1 h ARG 16 Ca 0.35 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3mt1 h ARG 16 Cb 0.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3mt1 h ARG 16 CO -0.25 0.03 0.00 0.09 -1.51 0.00 0.00 179.97 178.33 3mt1 n ASN 17 N -5.40 0.49 0.00 -3.80 3.02 -0.21 -2.62 115.26 106.74 3mt1 n ASN 17 Ca 0.11 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3mt1 n ASN 17 Cb 0.40 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.47 3mt1 n ASN 17 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mt1 n GLU 19 N 0.77 0.00 0.10 3.52 1.02 0.17 -1.87 120.64 124.36 3mt1 n GLU 19 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 3mt1 n GLU 19 Cb 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.38 3mt1 n GLU 19 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mt1 h ARG 20 N 0.00 0.47 0.26 3.49 3.08 -1.76 -2.06 114.38 117.86 3mt1 h ARG 20 Ca 0.00 -0.67 0.01 0.00 0.07 0.00 0.00 59.98 59.38 3mt1 h ARG 20 Cb 0.00 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3mt1 h ARG 20 CO 0.00 1.30 -0.49 0.82 -1.07 0.00 0.00 179.97 180.53 3mt1 h ILE 21 N 0.18 0.06 -0.63 2.04 2.04 -1.67 -1.92 117.51 117.61 3mt1 h ILE 21 Ca -0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.82 3mt1 h ILE 21 Cb 1.92 0.06 -0.12 0.00 -0.74 0.00 0.00 36.82 37.94 3mt1 h ILE 21 CO 0.22 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 178.18 3mt1 h ALA 22 N -0.53 0.33 -0.48 1.87 0.00 -1.67 0.16 119.26 118.93 3mt1 h ALA 22 Ca -0.02 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.22 3mt1 h ALA 22 Cb 0.78 0.55 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 3mt1 h ALA 22 CO -0.19 -0.47 -0.15 1.25 0.00 0.00 0.00 179.25 179.68 3mt1 h HIS 23 N -0.04 -0.34 -0.25 0.00 -0.00 -1.24 0.48 115.15 113.77 3mt1 h HIS 23 Ca 0.30 0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.72 3mt1 h HIS 23 Cb 0.49 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 3mt1 h HIS 23 CO -0.55 -0.24 0.13 0.28 -0.00 0.00 0.00 177.93 177.55 3mt1 h VAL 24 N -0.04 1.00 -0.98 5.26 2.07 -0.39 -0.00 116.25 123.17 3mt1 h VAL 24 Ca 0.23 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.72 3mt1 h VAL 24 Cb 0.39 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 3mt1 h VAL 24 CO -0.52 0.05 0.63 0.03 0.02 0.00 0.00 177.57 177.79 3mt1 h ARG 25 N 0.27 1.11 -0.04 1.57 3.08 0.37 0.10 114.38 120.83 3mt1 h ARG 25 Ca 0.10 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 3mt1 h ARG 25 Cb 0.02 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.82 3mt1 h ARG 25 CO -0.06 0.73 -0.05 1.49 -1.07 0.00 0.00 179.97 181.01 3mt1 h GLU 26 N 1.14 0.11 -0.16 0.04 4.81 0.46 0.11 114.58 121.09 3mt1 h GLU 26 Ca 0.42 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.45 3mt1 h GLU 26 Cb 0.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3mt1 h GLU 26 CO -0.16 0.58 -0.50 0.87 -0.73 0.00 0.00 179.01 179.06 3mt1 h LYS 27 N -0.36 0.42 0.01 1.92 1.79 -0.76 -3.32 116.57 116.27 3mt1 h LYS 27 Ca 0.01 -0.25 -0.36 0.00 -2.18 0.00 0.00 60.65 57.87 3mt1 h LYS 27 Cb 0.56 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.17 3mt1 h LYS 27 CO 0.01 0.83 -2.29 -1.13 -1.08 0.00 0.00 179.45 175.79 3mt1 n SER 28 N -3.97 0.81 0.00 0.86 3.41 0.33 -4.82 113.62 110.24 3mt1 n SER 28 Ca -0.02 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3mt1 n SER 28 Cb 0.56 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 3mt1 n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mt1 n GLY 29 N 1.87 0.42 3.85 5.00 0.00 0.37 -4.36 105.19 112.34 3mt1 n GLY 29 Ca -0.34 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 3mt1 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mt1 s ALA 30 N -1.95 3.10 0.10 4.61 0.00 -1.25 -4.69 121.76 121.68 3mt1 s ALA 30 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.11 3mt1 s ALA 30 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3mt1 s ALA 30 CO 0.00 -0.27 0.07 0.15 0.00 0.00 0.00 175.76 175.71 3mt1 s LYS 31 N -4.19 2.79 -0.07 0.00 1.02 0.49 -4.42 119.74 115.36 3mt1 s LYS 31 Ca 0.58 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.83 3mt1 s LYS 31 Cb -0.10 -2.65 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3mt1 s LYS 31 CO 0.34 0.54 -0.20 0.00 -0.92 0.00 0.00 175.35 175.11 3mt1 s ALA 32 N -1.46 1.83 -0.07 5.17 0.00 -1.26 0.18 121.76 126.15 3mt1 s ALA 32 Ca 0.29 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.50 3mt1 s ALA 32 Cb -0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 3mt1 s ALA 32 CO 0.21 0.27 -0.24 -0.51 0.00 0.00 0.00 175.76 175.49 3mt1 s LEU 33 N 0.27 2.06 0.05 0.00 1.43 -0.04 -0.48 118.68 121.98 3mt1 s LEU 33 Ca -0.12 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 52.16 3mt1 s LEU 33 Cb -0.15 -1.35 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 3mt1 s LEU 33 CO 0.06 0.22 1.46 -0.22 0.23 0.00 0.00 176.35 178.09 3mt1 s LEU 34 N -0.03 4.34 -0.55 1.79 2.96 0.47 -2.55 118.68 125.12 3mt1 s LEU 34 Ca -0.07 2.27 -0.28 0.00 -0.22 0.00 0.00 54.13 55.83 3mt1 s LEU 34 Cb -0.15 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.00 3mt1 s LEU 34 CO 0.05 -0.74 1.20 0.00 -1.32 0.00 0.00 176.35 175.53 3mt1 s ALA 35 N 2.02 3.03 0.43 5.97 0.00 -1.13 -1.22 121.76 130.86 3mt1 s ALA 35 Ca 0.66 -0.70 0.39 0.00 0.00 0.00 0.00 51.96 52.32 3mt1 s ALA 35 Cb -0.35 -4.00 1.96 0.00 0.00 0.00 0.00 23.12 20.72 3mt1 s ALA 35 CO 0.29 -2.56 2.20 -0.07 0.00 0.00 0.00 175.76 175.62 3mt1 h LEU 36 N 11.80 0.00 -1.89 0.00 3.38 -1.62 -2.22 115.31 124.75 3mt1 h LEU 36 Ca -0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3mt1 h LEU 36 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3mt1 h LEU 36 CO 1.17 0.01 -0.12 0.07 0.09 0.00 0.00 178.44 179.66 3mt1 h LYS 37 N 0.00 0.00 0.15 1.13 2.10 -1.91 -3.02 116.57 115.02 3mt1 h LYS 37 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 3mt1 h LYS 37 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3mt1 h LYS 37 CO 0.00 0.12 -1.72 0.00 -2.00 0.00 0.00 179.45 175.85 3mt1 s PHE 39 N -2.54 -1.04 -0.09 0.00 2.19 -1.14 -0.45 117.98 114.90 3mt1 s PHE 39 Ca -0.19 1.90 0.24 0.00 0.33 0.00 0.00 56.93 59.21 3mt1 s PHE 39 Cb 0.05 0.54 0.44 0.00 -1.31 0.00 0.00 43.02 42.74 3mt1 s PHE 39 CO 0.80 -0.56 1.15 0.00 1.83 0.00 0.00 175.22 178.45 3mt1 n ALA 40 N 5.30 2.49 -2.70 11.12 0.00 -1.26 -4.31 120.51 131.16 3mt1 n ALA 40 Ca -0.11 -2.39 -0.43 0.00 0.00 0.00 0.00 53.44 50.51 3mt1 n ALA 40 Cb 0.50 -0.77 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 3mt1 n ALA 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mt1 s THR 41 N -1.21 4.32 0.47 0.00 2.01 -1.26 -4.84 115.64 115.13 3mt1 s THR 41 Ca 0.30 -1.62 0.31 0.00 0.31 0.00 0.00 61.69 61.00 3mt1 s THR 41 Cb 0.35 -5.03 0.34 0.00 0.01 0.00 0.00 72.50 68.17 3mt1 s THR 41 CO -0.12 -1.84 2.16 4.11 -0.69 0.00 0.00 174.62 178.24 3mt1 h TRP 42 N 8.43 0.00 0.00 4.92 5.08 -1.99 -2.65 115.95 129.75 3mt1 h TRP 42 Ca 0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.27 3mt1 h TRP 42 Cb 0.94 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.10 3mt1 h TRP 42 CO 1.28 0.06 0.00 -1.13 -1.28 0.00 0.00 178.44 177.37 3mt1 n SER 43 N -3.55 0.18 -0.71 0.11 3.41 -1.26 -0.43 113.62 111.37 3mt1 n SER 43 Ca -0.02 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.25 3mt1 n SER 43 Cb 0.18 -0.61 0.13 0.00 -0.26 0.00 0.00 64.21 63.65 3mt1 n SER 43 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3mt1 n VAL 44 N -1.74 0.45 -0.12 -3.33 0.24 -1.00 -4.58 118.33 108.25 3mt1 n VAL 44 Ca -0.00 -0.73 0.03 0.00 -2.04 0.00 0.00 64.34 61.61 3mt1 n VAL 44 Cb 0.02 0.94 0.35 0.00 -1.47 0.00 0.00 33.84 33.69 3mt1 n VAL 44 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 3mt1 h PHE 45 N 2.82 0.72 -0.93 6.34 0.04 -0.91 -2.04 116.94 122.97 3mt1 h PHE 45 Ca 0.00 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3mt1 h PHE 45 Cb 0.70 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 3mt1 h PHE 45 CO 0.14 0.43 0.61 -0.44 -0.60 0.00 0.00 178.31 178.45 3mt1 h ASP 46 N 0.76 0.96 0.00 2.17 3.32 -1.81 0.25 116.42 122.07 3mt1 h ASP 46 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mt1 h ASP 46 Cb -0.00 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3mt1 h ASP 46 CO -0.06 0.62 0.00 -0.11 -1.72 0.00 0.00 179.24 177.97 3mt1 n LEU 47 N -4.48 0.64 0.00 1.55 7.94 -0.77 -4.44 117.00 117.43 3mt1 n LEU 47 Ca 0.14 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.72 3mt1 n LEU 47 Cb 0.18 -0.24 0.00 0.00 0.53 0.00 0.00 43.42 43.89 3mt1 n LEU 47 CO 0.33 0.14 0.00 -1.14 -1.11 0.00 0.00 177.39 175.61 3mt1 n ARG 49 N 0.35 0.00 0.00 1.96 0.63 0.88 -4.64 116.66 115.85 3mt1 n ARG 49 Ca 0.00 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 3mt1 n ARG 49 Cb 0.14 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.51 3mt1 n ARG 49 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3mt1 n ASP 50 N 0.10 0.00 -0.61 6.15 8.00 -1.26 -4.62 116.55 124.31 3mt1 n ASP 50 Ca 0.00 -0.09 0.07 0.00 0.71 0.00 0.00 54.79 55.48 3mt1 n ASP 50 Cb 0.00 -0.23 0.18 0.00 -0.02 0.00 0.00 41.12 41.06 3mt1 n ASP 50 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3mt1 n TYR 51 N -1.23 0.57 -0.96 1.24 4.01 -1.26 -5.07 117.16 114.46 3mt1 n TYR 51 Ca 0.09 -0.74 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 3mt1 n TYR 51 Cb 0.12 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3mt1 n TYR 51 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3mt1 n ASP 53 N -0.32 0.05 0.00 7.72 8.00 0.37 -3.93 116.55 128.44 3mt1 n ASP 53 Ca 0.15 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3mt1 n ASP 53 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 3mt1 n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mt1 n GLY 54 N -0.00 0.69 3.13 0.44 0.00 -1.24 -1.73 105.19 106.48 3mt1 n GLY 54 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 3mt1 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mt1 s THR 55 N -2.99 0.60 0.11 2.61 -4.23 -0.57 -0.40 115.64 110.77 3mt1 s THR 55 Ca 0.00 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 58.95 3mt1 s THR 55 Cb 0.00 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 3mt1 s THR 55 CO 0.00 -0.72 -0.21 0.28 -0.54 0.00 0.00 174.62 173.42 3mt1 s THR 56 N -2.90 1.79 0.08 3.99 -1.32 -0.36 -1.69 115.64 115.23 3mt1 s THR 56 Ca 0.04 -1.60 0.02 0.00 -1.21 0.00 0.00 61.69 58.94 3mt1 s THR 56 Cb 0.00 -1.63 -0.04 0.00 -1.51 0.00 0.00 72.50 69.32 3mt1 s THR 56 CO -0.03 -0.06 -0.07 -0.44 -2.21 0.00 0.00 174.62 171.81 3mt1 s SER 57 N -1.98 1.03 -0.10 8.08 0.01 -0.35 -2.17 113.70 118.21 3mt1 s SER 57 Ca 0.08 -0.89 0.15 0.00 1.31 0.00 0.00 55.95 56.59 3mt1 s SER 57 Cb -0.10 0.09 0.23 0.00 0.21 0.00 0.00 66.02 66.45 3mt1 s SER 57 CO 0.05 -0.41 1.12 -1.54 0.41 0.00 0.00 173.24 172.86 3mt1 n SER 58 N 0.34 1.80 -3.43 2.44 3.41 -1.24 -0.26 113.62 116.68 3mt1 n SER 58 Ca -0.15 -2.85 -0.12 0.00 -0.26 0.00 0.00 58.87 55.49 3mt1 n SER 58 Cb 0.59 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 64.14 3mt1 n SER 58 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mt1 s SER 59 N -2.45 -0.56 0.14 4.04 1.04 -1.25 -4.63 113.70 110.03 3mt1 s SER 59 Ca 0.25 0.06 -0.31 0.00 0.48 0.00 0.00 55.95 56.43 3mt1 s SER 59 Cb 0.22 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.85 3mt1 s SER 59 CO 0.02 -0.92 1.56 0.25 0.98 0.00 0.00 173.24 175.13 3mt1 h LEU 60 N 2.09 -1.68 -1.49 2.42 5.85 -1.97 -1.48 115.31 119.05 3mt1 h LEU 60 Ca -0.33 0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.65 3mt1 h LEU 60 Cb 1.29 0.70 -0.03 0.00 0.37 0.00 0.00 40.66 42.99 3mt1 h LEU 60 CO 0.38 -0.40 0.38 -0.26 -0.34 0.00 0.00 178.44 178.19 3mt1 h PHE 61 N -0.40 0.64 -0.16 1.25 0.04 -1.99 -0.79 116.94 115.52 3mt1 h PHE 61 Ca 0.09 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.83 3mt1 h PHE 61 Cb 0.61 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.54 3mt1 h PHE 61 CO -0.67 0.37 -0.09 0.93 -0.60 0.00 0.00 178.31 178.26 3mt1 h GLU 62 N 0.66 0.35 -0.85 1.51 5.08 -1.87 0.20 114.58 119.67 3mt1 h GLU 62 Ca 0.23 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3mt1 h GLU 62 Cb 0.08 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 3mt1 h GLU 62 CO -0.06 0.68 0.55 -0.24 -1.00 0.00 0.00 179.01 178.93 3mt1 h VAL 63 N 0.02 1.15 -0.60 3.13 3.04 -0.73 0.31 116.25 122.56 3mt1 h VAL 63 Ca 0.03 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 3mt1 h VAL 63 Cb 0.58 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 29.81 3mt1 h VAL 63 CO 0.03 0.20 0.34 -0.09 -1.01 0.00 0.00 177.57 177.03 3mt1 h ARG 64 N 1.08 0.83 -0.78 4.17 2.43 -1.04 -1.28 114.38 119.79 3mt1 h ARG 64 Ca 0.33 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3mt1 h ARG 64 Cb -0.01 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 3mt1 h ARG 64 CO -0.11 0.63 0.45 1.25 -1.51 0.00 0.00 179.97 180.68 3mt1 h LEU 65 N 0.81 0.95 -0.27 3.80 5.85 -0.17 0.24 115.31 126.52 3mt1 h LEU 65 Ca 0.21 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3mt1 h LEU 65 Cb 0.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3mt1 h LEU 65 CO -0.04 0.75 -0.12 1.23 -0.34 0.00 0.00 178.44 179.92 3mt1 h GLY 66 N 1.07 0.62 0.89 3.75 0.00 -0.75 -0.77 103.07 107.89 3mt1 h GLY 66 Ca 0.28 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3mt1 h GLY 66 CO -0.05 0.50 -0.13 -0.09 0.00 0.00 0.00 176.54 176.77 3mt1 h ARG 67 N 0.31 -0.34 -0.04 4.80 9.65 -0.99 0.20 114.38 127.97 3mt1 h ARG 67 Ca 0.06 0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 3mt1 h ARG 67 Cb 0.63 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.28 3mt1 h ARG 67 CO 0.04 -0.15 -0.60 0.93 2.80 0.00 0.00 179.97 182.99 3mt1 h GLU 68 N -0.47 0.14 0.00 0.20 5.08 -0.49 -3.12 114.58 115.93 3mt1 h GLU 68 Ca -0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3mt1 h GLU 68 Cb 0.35 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3mt1 h GLU 68 CO 0.06 0.70 -0.63 0.54 -1.00 0.00 0.00 179.01 178.69 3mt1 n ARG 69 N -3.85 2.85 -0.09 2.33 5.12 -0.30 -4.77 116.66 117.95 3mt1 n ARG 69 Ca -0.02 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.74 3mt1 n ARG 69 Cb 0.61 -0.83 -0.08 0.00 -1.16 0.00 0.00 32.46 31.00 3mt1 n ARG 69 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3mt1 n PHE 70 N -1.32 0.00 -4.15 -1.55 -0.00 -0.26 -4.78 117.46 105.40 3mt1 n PHE 70 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3mt1 n PHE 70 Cb 0.03 -0.70 0.00 0.00 -0.00 0.00 0.00 39.48 38.80 3mt1 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3mt1 n GLY 71 N 2.35 -1.58 7.00 7.13 0.00 0.55 -4.94 105.19 115.71 3mt1 n GLY 71 Ca -0.34 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3mt1 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mt1 n LYS 72 N -0.17 0.00 -2.84 1.61 5.02 -1.26 -4.60 118.16 115.93 3mt1 n LYS 72 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 3mt1 n LYS 72 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 3mt1 n LYS 72 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3mt1 s GLU 73 N 0.00 4.53 -0.12 1.97 2.12 -0.70 -4.95 118.70 121.54 3mt1 s GLU 73 Ca 0.00 1.23 0.02 0.00 0.36 0.00 0.00 54.97 56.57 3mt1 s GLU 73 Cb 0.00 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.95 3mt1 s GLU 73 CO 0.00 0.04 -0.19 0.95 -0.54 0.00 0.00 175.26 175.52 3mt1 s THR 74 N 0.76 2.46 -0.09 -1.70 -4.23 -1.26 -1.51 115.64 110.07 3mt1 s THR 74 Ca 0.46 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.10 3mt1 s THR 74 Cb -0.20 -1.99 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3mt1 s THR 74 CO 0.25 0.54 -0.08 -1.00 -0.54 0.00 0.00 174.62 173.78 3mt1 s HIS 75 N 0.49 2.90 -0.10 3.99 3.76 -0.68 -0.68 115.29 124.97 3mt1 s HIS 75 Ca -0.13 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.60 3mt1 s HIS 75 Cb -0.17 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 3mt1 s HIS 75 CO 0.05 0.15 -0.09 0.00 -0.85 0.00 0.00 174.74 173.99 3mt1 s ALA 76 N -0.37 2.83 0.05 -1.40 0.00 -0.46 -1.21 121.76 121.20 3mt1 s ALA 76 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.14 3mt1 s ALA 76 Cb -0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 3mt1 s ALA 76 CO 0.02 0.42 -0.09 -0.47 0.00 0.00 0.00 175.76 175.65 3mt1 s TYR 77 N -0.28 0.78 0.01 0.00 5.04 0.65 -0.64 117.35 122.91 3mt1 s TYR 77 Ca 0.03 -0.54 -0.23 0.00 -2.44 0.00 0.00 57.07 53.89 3mt1 s TYR 77 Cb -0.13 -0.46 0.05 0.00 0.35 0.00 0.00 41.96 41.78 3mt1 s TYR 77 CO 0.03 -0.07 0.52 0.45 -1.34 0.00 0.00 175.55 175.14 3mt1 s SER 78 N -1.76 -0.45 0.13 4.32 0.15 -1.25 -3.67 113.70 111.18 3mt1 s SER 78 Ca -0.06 0.30 -0.10 0.00 0.70 0.00 0.00 55.95 56.78 3mt1 s SER 78 Cb -0.08 0.47 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 3mt1 s SER 78 CO 0.00 -0.64 1.41 0.58 1.20 0.00 0.00 173.24 175.79 3mt1 h VAL 79 N 3.05 1.28 -2.24 4.45 2.07 -1.93 -3.34 116.25 119.60 3mt1 h VAL 79 Ca -0.30 -1.78 -0.22 0.00 0.82 0.00 0.00 66.70 65.22 3mt1 h VAL 79 Cb 1.19 1.71 -0.32 0.00 -1.52 0.00 0.00 31.29 32.34 3mt1 h VAL 79 CO 0.41 0.58 -0.54 0.00 0.02 0.00 0.00 177.57 178.04 3mt1 s ALA 80 N -4.04 -0.74 0.39 1.67 0.00 -1.26 -4.65 121.76 113.12 3mt1 s ALA 80 Ca -0.10 0.68 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 3mt1 s ALA 80 Cb 0.10 -1.47 -0.09 0.00 0.00 0.00 0.00 23.12 21.66 3mt1 s ALA 80 CO 0.89 -1.17 1.06 0.71 0.00 0.00 0.00 175.76 177.24 3mt1 s TYR 81 N 2.45 3.28 0.03 0.00 1.51 -1.26 -5.03 117.35 118.33 3mt1 s TYR 81 Ca 0.09 1.65 -0.16 0.00 -1.01 0.00 0.00 57.07 57.63 3mt1 s TYR 81 Cb -0.15 -3.15 -0.06 0.00 -0.11 0.00 0.00 41.96 38.49 3mt1 s TYR 81 CO -0.14 -0.65 0.47 0.20 -1.11 0.00 0.00 175.55 174.33 3mt1 s GLY 82 N -1.49 2.55 0.24 0.71 0.00 -1.26 -4.98 107.32 103.09 3mt1 s GLY 82 Ca 0.57 -0.12 -0.05 0.00 0.00 0.00 0.00 44.72 45.12 3mt1 s GLY 82 CO 0.29 0.26 1.79 -0.55 0.00 0.00 0.00 173.10 174.89 3mt1 h ASP 83 N 4.63 0.95 0.01 1.64 3.45 -2.00 0.19 116.42 125.29 3mt1 h ASP 83 Ca -0.51 -0.17 0.00 0.00 0.43 0.00 0.00 57.03 56.78 3mt1 h ASP 83 Cb 1.22 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.74 3mt1 h ASP 83 CO 0.62 0.89 0.00 -0.46 -1.57 0.00 0.00 179.24 178.72 3mt1 n ASN 84 N -4.27 0.00 0.00 6.45 6.94 -1.26 -3.74 115.26 119.38 3mt1 n ASN 84 Ca 0.05 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 54.04 3mt1 n ASN 84 Cb 0.22 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 3mt1 n ASN 84 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3mt1 n GLU 85 N -1.01 0.86 -0.31 -3.83 1.02 -0.65 -4.86 120.64 111.85 3mt1 n GLU 85 Ca 0.14 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.46 3mt1 n GLU 85 Cb 0.07 -0.98 0.35 0.00 -0.02 0.00 0.00 31.44 30.86 3mt1 n GLU 85 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 3mt1 n ILE 86 N -2.34 -0.39 -0.08 -3.67 0.13 0.56 -0.17 119.36 113.41 3mt1 n ILE 86 Ca 0.00 1.99 -0.08 0.00 -1.10 0.00 0.00 62.75 63.56 3mt1 n ILE 86 Cb 0.48 -2.99 0.08 0.00 -0.84 0.00 0.00 39.64 36.37 3mt1 n ILE 86 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3mt1 h ASP 87 N 0.00 0.78 0.24 9.51 3.32 -1.86 0.13 116.42 128.53 3mt1 h ASP 87 Ca 0.62 -0.31 -0.18 0.00 0.02 0.00 0.00 57.03 57.18 3mt1 h ASP 87 Cb 1.40 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 3mt1 h ASP 87 CO -0.83 1.02 -0.72 -0.08 -1.72 0.00 0.00 179.24 176.91 3mt1 h GLU 88 N 0.65 0.42 0.23 3.56 4.81 -0.90 -2.36 114.58 120.99 3mt1 h GLU 88 Ca 0.08 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 3mt1 h GLU 88 Cb 0.81 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3mt1 h GLU 88 CO 0.07 0.97 -0.11 0.28 -0.73 0.00 0.00 179.01 179.49 3mt1 h VAL 89 N 0.29 0.77 -0.98 0.32 2.07 -0.48 -2.87 116.25 115.37 3mt1 h VAL 89 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 3mt1 h VAL 89 Cb 1.29 0.77 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 3mt1 h VAL 89 CO 0.12 0.00 0.62 0.58 0.02 0.00 0.00 177.57 178.91 3mt1 h VAL 90 N -0.31 0.90 0.00 2.57 2.07 -0.64 0.33 116.25 121.17 3mt1 h VAL 90 Ca -0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3mt1 h VAL 90 Cb 0.24 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3mt1 h VAL 90 CO 0.05 0.17 0.00 0.77 0.02 0.00 0.00 177.57 178.58 3mt1 h SER 91 N 0.94 0.00 0.29 0.57 4.64 -1.21 -3.05 113.55 115.72 3mt1 h SER 91 Ca 0.49 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.58 3mt1 h SER 91 Cb 0.53 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.58 3mt1 h SER 91 CO -0.25 0.00 -1.92 1.41 -0.87 0.00 0.00 176.83 175.20 3mt1 n HIS 92 N -2.69 0.43 -3.44 4.77 8.25 0.04 -4.99 115.22 117.59 3mt1 n HIS 92 Ca 0.02 0.15 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 3mt1 n HIS 92 Cb 0.28 -0.96 -0.05 0.00 1.12 0.00 0.00 29.99 30.38 3mt1 n HIS 92 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mt1 s ALA 93 N -2.84 3.61 -0.10 -1.41 0.00 -0.78 -4.77 121.76 115.47 3mt1 s ALA 93 Ca -0.07 -0.27 0.12 0.00 0.00 0.00 0.00 51.96 51.74 3mt1 s ALA 93 Cb 0.09 -2.41 -0.24 0.00 0.00 0.00 0.00 23.12 20.56 3mt1 s ALA 93 CO 0.84 0.52 0.46 -0.25 0.00 0.00 0.00 175.76 177.33 3mt1 n ASP 94 N 0.25 0.77 -4.15 0.00 8.00 0.14 -4.92 116.55 116.65 3mt1 n ASP 94 Ca -0.02 0.28 -0.19 0.00 0.71 0.00 0.00 54.79 55.57 3mt1 n ASP 94 Cb 0.52 0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 41.64 3mt1 n ASP 94 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3mt1 s LYS 95 N -2.56 0.84 -0.01 -1.24 1.02 -1.13 -3.23 119.74 113.43 3mt1 s LYS 95 Ca -0.08 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.10 3mt1 s LYS 95 Cb 0.07 -0.83 -0.01 0.00 -0.52 0.00 0.00 37.83 36.55 3mt1 s LYS 95 CO 0.82 0.19 -0.10 -1.50 -0.92 0.00 0.00 175.35 173.83 3mt1 s ILE 96 N -1.08 0.81 -0.03 2.17 2.07 -0.89 -1.36 121.20 122.89 3mt1 s ILE 96 Ca -0.01 -0.45 0.05 0.00 -1.41 0.00 0.00 60.65 58.83 3mt1 s ILE 96 Cb -0.09 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.81 3mt1 s ILE 96 CO 0.02 0.22 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.46 3mt1 s ILE 97 N -0.26 1.43 0.06 2.00 1.01 0.19 -0.71 121.20 124.92 3mt1 s ILE 97 Ca 0.04 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.01 3mt1 s ILE 97 Cb -0.04 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 3mt1 s ILE 97 CO -0.00 0.41 -0.14 -0.36 0.00 0.00 0.00 174.94 174.84 3mt1 s PHE 98 N -0.18 2.66 -0.09 3.97 0.08 -0.90 -3.78 117.98 119.73 3mt1 s PHE 98 Ca 0.01 -0.19 0.20 0.00 0.12 0.00 0.00 56.93 57.07 3mt1 s PHE 98 Cb -0.09 -1.46 0.47 0.00 -0.57 0.00 0.00 43.02 41.37 3mt1 s PHE 98 CO 0.01 0.34 1.63 -0.97 -0.10 0.00 0.00 175.22 176.13 3mt1 h ASN 99 N 4.17 0.00 -5.05 1.36 -1.24 -1.83 0.05 115.58 113.03 3mt1 h ASN 99 Ca -0.48 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.48 3mt1 h ASN 99 Cb 1.16 0.00 -0.13 0.00 0.73 0.00 0.00 38.32 40.09 3mt1 h ASN 99 CO 0.50 0.29 0.03 -0.94 -1.29 0.00 0.00 177.43 176.02 3mt1 s SER 100 N -6.29 -0.35 0.14 1.15 1.04 -1.26 -2.81 113.70 105.31 3mt1 s SER 100 Ca 0.03 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.09 3mt1 s SER 100 Cb 0.08 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3mt1 s SER 100 CO 0.69 -0.89 1.75 0.40 0.98 0.00 0.00 173.24 176.17 3mt1 h ILE 101 N 2.25 0.93 -0.61 -1.02 2.04 -1.96 -1.96 117.51 117.19 3mt1 h ILE 101 Ca -0.34 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.52 3mt1 h ILE 101 Cb 1.27 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 3mt1 h ILE 101 CO 0.44 0.04 0.27 -1.28 0.00 0.00 0.00 178.15 177.62 3mt1 h SER 102 N 0.24 0.33 -0.80 1.72 0.87 -1.98 0.42 113.55 114.35 3mt1 h SER 102 Ca 0.12 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3mt1 h SER 102 Cb 0.09 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3mt1 h SER 102 CO -0.12 0.21 0.52 1.56 -0.53 0.00 0.00 176.83 178.46 3mt1 h GLN 103 N 0.49 0.99 -0.18 2.24 1.08 -1.90 0.11 115.11 117.94 3mt1 h GLN 103 Ca 0.29 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 3mt1 h GLN 103 Cb 0.30 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3mt1 h GLN 103 CO -0.25 0.65 -0.00 1.25 -0.95 0.00 0.00 178.83 179.53 3mt1 h LEU 104 N 1.02 0.32 -0.94 1.46 5.85 -0.36 -1.28 115.31 121.38 3mt1 h LEU 104 Ca 0.32 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3mt1 h LEU 104 Cb -0.02 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3mt1 h LEU 104 CO -0.10 0.55 0.60 -0.33 -0.34 0.00 0.00 178.44 178.82 3mt1 h GLU 105 N 0.07 1.10 -0.34 1.25 5.08 -0.06 0.48 114.58 122.16 3mt1 h GLU 105 Ca 0.05 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 3mt1 h GLU 105 Cb 0.39 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3mt1 h GLU 105 CO 0.01 0.73 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.51 3mt1 h ARG 106 N 1.13 0.61 -0.00 2.33 2.43 -0.46 -3.32 114.38 117.11 3mt1 h ARG 106 Ca 0.39 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3mt1 h ARG 106 Cb 0.08 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3mt1 h ARG 106 CO -0.15 0.73 -0.17 1.19 -1.51 0.00 0.00 179.97 180.07 3mt1 n PHE 107 N -4.17 0.00 -0.26 2.20 3.72 -0.51 -4.70 117.46 113.75 3mt1 n PHE 107 Ca 0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.34 3mt1 n PHE 107 Cb 0.36 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.84 3mt1 n PHE 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mt1 n ALA 108 N -0.85 -0.38 -0.07 4.37 0.00 0.17 -1.54 120.51 122.20 3mt1 n ALA 108 Ca 0.01 0.52 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 3mt1 n ALA 108 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.43 3mt1 n ALA 108 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3mt1 h ASP 109 N 0.00 -0.50 -0.01 0.00 3.32 -1.84 -1.92 116.42 115.48 3mt1 h ASP 109 Ca 0.10 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 3mt1 h ASP 109 Cb 0.26 0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3mt1 h ASP 109 CO -0.57 -0.19 -0.09 0.11 -1.72 0.00 0.00 179.24 176.77 3mt1 h LYS 110 N -0.11 0.24 -0.49 3.56 1.57 -1.61 -2.54 116.57 117.19 3mt1 h LYS 110 Ca 0.15 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3mt1 h LYS 110 Cb 0.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3mt1 h LYS 110 CO -0.36 0.35 0.00 0.00 -0.57 0.00 0.00 179.45 178.87 3mt1 n ALA 111 N -2.49 2.61 0.10 3.86 0.00 -0.76 -4.53 120.51 119.30 3mt1 n ALA 111 Ca -0.01 -0.79 0.13 0.00 0.00 0.00 0.00 53.44 52.77 3mt1 n ALA 111 Cb 0.24 -0.99 0.62 0.00 0.00 0.00 0.00 19.45 19.33 3mt1 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mt1 h ALA 112 N 3.62 2.17 0.00 0.00 0.00 -0.96 -2.72 119.26 121.38 3mt1 h ALA 112 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mt1 h ALA 112 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3mt1 h ALA 112 CO 0.06 -0.25 -0.05 0.41 0.00 0.00 0.00 179.25 179.42 3mt1 n GLY 113 N -1.57 -1.58 3.50 0.00 0.00 -1.26 -4.88 105.19 99.39 3mt1 n GLY 113 Ca 0.04 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 3mt1 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mt1 s ILE 114 N -3.05 1.58 0.18 -0.61 -4.36 -1.03 -5.11 121.20 108.79 3mt1 s ILE 114 Ca 0.12 -2.04 -0.31 0.00 -0.26 0.00 0.00 60.65 58.16 3mt1 s ILE 114 Cb 0.16 -2.76 -0.09 0.00 1.25 0.00 0.00 42.46 41.02 3mt1 s ILE 114 CO 0.58 -0.09 1.42 0.00 0.24 0.00 0.00 174.94 177.09 3mt1 s ALA 115 N -3.03 3.62 -0.01 2.27 0.00 -1.20 -4.96 121.76 118.46 3mt1 s ALA 115 Ca 0.34 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.56 3mt1 s ALA 115 Cb 0.08 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3mt1 s ALA 115 CO 0.15 -0.66 -0.11 1.03 0.00 0.00 0.00 175.76 176.17 3mt1 s ARG 116 N 0.42 2.45 0.27 0.00 0.52 -1.26 -2.10 118.95 119.24 3mt1 s ARG 116 Ca 0.62 -0.76 0.03 0.00 -0.52 0.00 0.00 55.73 55.10 3mt1 s ARG 116 Cb -0.39 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.62 3mt1 s ARG 116 CO 0.36 0.60 0.05 0.20 0.02 0.00 0.00 175.30 176.53 3mt1 s GLY 117 N -1.18 1.80 -0.01 -3.53 0.00 0.11 -1.90 107.32 102.61 3mt1 s GLY 117 Ca 0.15 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.97 3mt1 s GLY 117 CO 0.05 -1.70 -0.03 -2.27 0.00 0.00 0.00 173.10 169.14 3mt1 s LEU 118 N -3.37 1.79 0.14 0.66 2.96 -0.81 -2.12 118.68 117.93 3mt1 s LEU 118 Ca 0.34 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.89 3mt1 s LEU 118 Cb 0.07 -0.22 -0.06 0.00 0.50 0.00 0.00 46.19 46.47 3mt1 s LEU 118 CO 0.13 0.01 0.97 -0.60 -1.32 0.00 0.00 176.35 175.54 3mt1 s ARG 119 N 0.20 4.71 -0.07 1.98 3.52 0.00 -4.32 118.95 124.98 3mt1 s ARG 119 Ca -0.02 1.49 0.03 0.00 -0.13 0.00 0.00 55.73 57.10 3mt1 s ARG 119 Cb -0.05 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3mt1 s ARG 119 CO -0.00 0.25 -0.15 -0.51 -0.81 0.00 0.00 175.30 174.07 3mt1 s LEU 120 N -0.22 2.69 -0.36 -0.88 1.02 -1.26 -0.75 118.68 118.92 3mt1 s LEU 120 Ca 0.46 -0.24 -0.11 0.00 0.02 0.00 0.00 54.13 54.26 3mt1 s LEU 120 Cb -0.24 -1.55 0.01 0.00 0.02 0.00 0.00 46.19 44.42 3mt1 s LEU 120 CO 0.31 0.30 0.21 0.21 0.02 0.00 0.00 176.35 177.39 3mt1 s ASN 121 N -0.46 5.75 0.22 2.29 3.84 -0.16 -4.52 114.94 121.90 3mt1 s ASN 121 Ca 0.06 -0.80 0.00 0.00 0.21 0.00 0.00 52.86 52.33 3mt1 s ASN 121 Cb -0.12 -2.04 0.19 0.00 -0.55 0.00 0.00 41.25 38.73 3mt1 s ASN 121 CO 0.02 -0.32 1.54 -0.65 -2.79 0.00 0.00 177.10 174.90 3mt1 h PRO 122 N 8.44 0.44 0.00 0.43 0.11 -1.90 -3.40 132.00 136.12 3mt1 h PRO 122 Ca -0.28 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3mt1 h PRO 122 Cb 1.12 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3mt1 h PRO 122 CO 0.66 0.87 0.00 1.04 -0.21 0.00 0.00 178.00 180.35 3mt1 n GLN 123 N -3.94 0.00 0.00 1.05 6.02 -1.26 -5.09 117.38 114.15 3mt1 n GLN 123 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3mt1 n GLN 123 Cb 0.59 -0.57 0.00 0.00 1.02 0.00 0.00 30.24 31.28 3mt1 n GLN 123 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 3mt1 n ARG 140 N -0.13 0.00 -3.93 -1.09 1.85 -1.26 -5.10 116.66 107.00 3mt1 n ARG 140 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 3mt1 n ARG 140 Cb 0.00 -1.01 -0.15 0.00 -1.05 0.00 0.00 32.46 30.25 3mt1 n ARG 140 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3mt1 s LEU 141 N -0.23 3.18 0.00 2.89 1.43 -1.26 -5.06 118.68 119.63 3mt1 s LEU 141 Ca 0.00 -1.55 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 3mt1 s LEU 141 Cb 0.00 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 44.95 3mt1 s LEU 141 CO 0.00 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 176.89 3mt1 n GLY 142 N 4.57 -0.35 3.84 -3.19 0.00 -1.13 -4.25 105.19 104.69 3mt1 n GLY 142 Ca -0.06 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 3mt1 n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mt1 s GLU 143 N -3.42 3.98 -0.02 1.61 0.41 0.07 -4.34 118.70 117.00 3mt1 s GLU 143 Ca 0.00 0.49 0.05 0.00 -0.41 0.00 0.00 54.97 55.11 3mt1 s GLU 143 Cb 0.00 -2.93 -0.08 0.00 -1.78 0.00 0.00 34.13 29.33 3mt1 s GLU 143 CO 0.00 0.48 0.10 -2.67 -0.49 0.00 0.00 175.26 172.68 3mt1 n TRP 144 N 0.81 0.00 -2.90 1.61 2.14 -1.26 -0.99 117.44 116.85 3mt1 n TRP 144 Ca -0.05 0.00 -0.43 0.00 2.07 0.00 0.00 57.50 59.09 3mt1 n TRP 144 Cb 0.52 -0.16 -0.04 0.00 -0.81 0.00 0.00 31.31 30.81 3mt1 n TRP 144 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3mt1 s ASP 145 N -2.89 6.26 0.16 -0.67 -1.08 -1.26 -4.95 116.67 112.24 3mt1 s ASP 145 Ca -0.02 -0.69 -0.20 0.00 -0.52 0.00 0.00 52.55 51.12 3mt1 s ASP 145 Cb 0.03 -2.41 0.08 0.00 -1.46 0.00 0.00 42.92 39.16 3mt1 s ASP 145 CO 0.23 -1.25 1.64 0.58 0.52 0.00 0.00 175.17 176.88 3mt1 h VAL 146 N 5.98 0.44 -0.74 1.11 2.07 -1.93 -2.31 116.25 120.87 3mt1 h VAL 146 Ca -0.27 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.37 3mt1 h VAL 146 Cb 1.08 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 31.20 3mt1 h VAL 146 CO 1.10 0.00 0.32 -0.65 0.02 0.00 0.00 177.57 178.37 3mt1 h PRO 147 N -0.14 0.48 -0.49 1.57 0.11 -2.00 -0.06 132.00 131.48 3mt1 h PRO 147 Ca 0.18 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.15 3mt1 h PRO 147 Cb 0.41 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3mt1 h PRO 147 CO -0.44 0.32 -0.12 0.87 -0.21 0.00 0.00 178.00 178.43 3mt1 h LYS 148 N 0.50 0.91 0.35 1.05 6.56 -1.89 -2.96 116.57 121.08 3mt1 h LYS 148 Ca 0.40 -0.32 -0.00 0.00 -1.06 0.00 0.00 60.65 59.66 3mt1 h LYS 148 Cb 0.56 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.13 3mt1 h LYS 148 CO -0.36 0.97 -0.36 0.28 -2.06 0.00 0.00 179.45 177.91 3mt1 h VAL 149 N 0.81 0.25 -1.13 0.50 2.07 -0.81 -3.02 116.25 114.93 3mt1 h VAL 149 Ca 0.13 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.97 3mt1 h VAL 149 Cb 0.64 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 3mt1 h VAL 149 CO 0.04 0.00 0.74 -0.33 0.02 0.00 0.00 177.57 178.05 3mt1 h GLU 150 N -0.74 0.25 0.00 1.57 5.08 -0.88 0.47 114.58 120.34 3mt1 h GLU 150 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3mt1 h GLU 150 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3mt1 h GLU 150 CO -0.07 0.17 0.00 -2.13 -1.00 0.00 0.00 179.01 175.97 3mt1 n ARG 151 N -4.56 0.08 -3.82 2.33 0.63 -1.14 -4.72 116.66 105.46 3mt1 n ARG 151 Ca 0.28 0.42 -0.29 0.00 -0.92 0.00 0.00 57.85 57.34 3mt1 n ARG 151 Cb 1.06 -1.69 -0.13 0.00 0.45 0.00 0.00 32.46 32.16 3mt1 n ARG 151 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3mt1 s VAL 152 N -3.19 2.19 0.00 5.15 0.11 0.17 -5.00 120.40 119.83 3mt1 s VAL 152 Ca 0.03 -3.43 0.00 0.00 -2.93 0.00 0.00 61.98 55.65 3mt1 s VAL 152 Cb 0.07 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 3mt1 s VAL 152 CO 0.23 -0.95 0.00 -0.90 -3.33 0.00 0.00 175.10 170.15 3mt1 n ASP 154 N 2.75 0.00 0.00 3.54 5.68 -1.26 -3.61 116.55 123.65 3mt1 n ASP 154 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.43 3mt1 n ASP 154 Cb 0.35 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3mt1 n ASP 154 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3mt1 n ARG 155 N 0.43 4.81 -1.63 0.11 1.74 -1.26 -5.06 116.66 115.80 3mt1 n ARG 155 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3mt1 n ARG 155 Cb 0.00 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3mt1 n ARG 155 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3mt1 n ILE 156 N -1.01 0.00 -0.62 0.55 -5.35 -1.24 -4.71 119.36 106.98 3mt1 n ILE 156 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3mt1 n ILE 156 Cb 0.00 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.64 3mt1 n ILE 156 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3mt1 n ASN 157 N -1.42 0.00 -3.45 7.28 4.05 -0.80 -4.93 115.26 115.99 3mt1 n ASN 157 Ca 0.00 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.92 3mt1 n ASN 157 Cb 0.00 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 40.99 3mt1 n ASN 157 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 3mt1 s GLY 158 N 0.00 -0.57 0.00 8.20 0.00 -1.19 -1.14 107.32 112.62 3mt1 s GLY 158 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.43 3mt1 s GLY 158 CO 0.00 0.27 0.00 0.69 0.00 0.00 0.00 173.10 174.06 3mt1 n PHE 159 N -0.25 0.00 0.00 1.90 3.72 -0.83 -1.93 117.46 120.08 3mt1 n PHE 159 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 3mt1 n PHE 159 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3mt1 n PHE 159 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3mt1 n ILE 161 N 0.00 0.00 -3.57 4.37 -0.00 -0.02 -1.05 119.36 119.10 3mt1 n ILE 161 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 62.75 62.46 3mt1 n ILE 161 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 39.64 39.51 3mt1 n ILE 161 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3mt1 s HIS 162 N 0.00 1.15 -0.23 1.39 2.46 -1.26 -2.85 115.29 115.95 3mt1 s HIS 162 Ca 0.00 -1.81 -0.01 0.00 0.47 0.00 0.00 55.06 53.71 3mt1 s HIS 162 Cb 0.00 -1.27 -0.14 0.00 -0.13 0.00 0.00 32.58 31.04 3mt1 s HIS 162 CO 0.00 -0.82 -0.22 0.27 -2.47 0.00 0.00 174.74 171.50 3mt1 n ASN 163 N 4.06 2.12 -4.71 9.88 6.94 -1.26 -5.02 115.26 127.28 3mt1 n ASN 163 Ca 0.08 -0.03 -0.34 0.00 -0.02 0.00 0.00 54.58 54.27 3mt1 n ASN 163 Cb 0.37 -0.43 0.11 0.00 -2.36 0.00 0.00 39.78 37.47 3mt1 n ASN 163 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3mt1 s ASN 164 N -6.41 3.85 0.00 0.53 0.01 -1.26 -4.99 114.94 106.67 3mt1 s ASN 164 Ca -0.31 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 3mt1 s ASN 164 Cb 0.09 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.16 3mt1 s ASN 164 CO 0.50 -2.49 0.00 0.00 -1.51 0.00 0.00 177.10 173.60 3mt1 n GLU 166 N -2.02 1.99 -1.67 0.00 0.28 -1.23 -4.23 120.64 113.76 3mt1 n GLU 166 Ca 0.00 -3.11 -0.38 0.00 -0.16 0.00 0.00 57.16 53.52 3mt1 n GLU 166 Cb 0.00 -1.80 -0.03 0.00 1.43 0.00 0.00 31.44 31.04 3mt1 n GLU 166 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3mt1 s ASN 167 N -2.47 4.77 0.00 -1.84 3.84 0.10 -4.76 114.94 114.57 3mt1 s ASN 167 Ca 0.43 1.05 0.18 0.00 0.21 0.00 0.00 52.86 54.73 3mt1 s ASN 167 Cb 0.39 -2.51 0.20 0.00 -0.55 0.00 0.00 41.25 38.78 3mt1 s ASN 167 CO 0.01 -2.63 1.12 1.17 -2.79 0.00 0.00 177.10 173.98 3mt1 n LYS 168 N 8.99 1.69 -4.54 0.43 4.81 -1.26 -0.34 118.16 127.94 3mt1 n LYS 168 Ca 0.32 -1.70 -0.30 0.00 -0.87 0.00 0.00 58.31 55.76 3mt1 n LYS 168 Cb 0.53 -1.35 -0.17 0.00 0.02 0.00 0.00 35.03 34.06 3mt1 n LYS 168 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3mt1 s ASP 169 N -1.39 2.72 0.13 3.14 2.15 -1.26 -4.93 116.67 117.24 3mt1 s ASP 169 Ca 0.24 -0.50 -0.14 0.00 0.43 0.00 0.00 52.55 52.58 3mt1 s ASP 169 Cb 0.16 -1.24 -0.00 0.00 -0.30 0.00 0.00 42.92 41.53 3mt1 s ASP 169 CO 0.23 0.04 1.58 0.15 -0.17 0.00 0.00 175.17 177.00 3mt1 h PHE 170 N 7.39 0.85 -0.82 -5.34 3.57 -1.98 -2.52 116.94 118.09 3mt1 h PHE 170 Ca -0.32 -0.15 0.18 0.00 3.53 0.00 0.00 57.97 61.22 3mt1 h PHE 170 Cb 1.18 -0.22 -0.11 0.00 2.79 0.00 0.00 35.95 39.59 3mt1 h PHE 170 CO 0.47 0.83 0.29 0.78 -2.23 0.00 0.00 178.31 178.46 3mt1 h GLY 171 N 0.62 1.27 0.77 2.40 0.00 -1.99 0.38 103.07 106.53 3mt1 h GLY 171 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.27 3mt1 h GLY 171 CO 0.02 -0.21 -0.17 -2.00 0.00 0.00 0.00 176.54 174.18 3mt1 h LEU 172 N 0.36 0.43 -0.58 3.11 5.85 -1.92 -2.20 115.31 120.35 3mt1 h LEU 172 Ca 0.48 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3mt1 h LEU 172 Cb 0.85 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3mt1 h LEU 172 CO -0.51 0.83 0.21 0.15 -0.34 0.00 0.00 178.44 178.78 3mt1 h PHE 173 N 0.04 0.37 -0.72 1.25 3.57 -1.01 -2.71 116.94 117.72 3mt1 h PHE 173 Ca 0.02 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.65 3mt1 h PHE 173 Cb 0.71 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3mt1 h PHE 173 CO 0.08 0.10 0.35 0.22 -2.23 0.00 0.00 178.31 176.83 3mt1 h ASP 174 N 0.39 0.45 0.00 0.41 3.58 0.05 -1.01 116.42 120.30 3mt1 h ASP 174 Ca 0.29 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.80 3mt1 h ASP 174 Cb 0.35 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3mt1 h ASP 174 CO -0.29 0.25 0.00 0.54 -2.88 0.00 0.00 179.24 176.86 3mt1 n ARG 175 N -4.87 0.31 0.00 0.28 1.74 -0.86 -2.05 116.66 111.21 3mt1 n ARG 175 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3mt1 n ARG 175 Cb 0.29 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3mt1 n ARG 175 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mt1 n LEU 177 N 0.75 0.00 -0.06 0.55 7.94 -0.38 -1.48 117.00 124.32 3mt1 n LEU 177 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3mt1 n LEU 177 Cb 0.14 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.03 3mt1 n LEU 177 CO 0.00 0.00 0.73 1.23 -1.11 0.00 0.00 177.39 178.24 3mt1 h GLY 178 N 0.00 0.35 2.00 -3.96 0.00 -1.66 -2.77 103.07 97.03 3mt1 h GLY 178 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3mt1 h GLY 178 CO 0.00 0.25 -0.07 0.83 0.00 0.00 0.00 176.54 177.54 3mt1 h GLU 179 N 0.05 0.00 -0.36 4.80 5.08 -1.56 -2.73 114.58 119.87 3mt1 h GLU 179 Ca 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3mt1 h GLU 179 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3mt1 h GLU 179 CO 0.01 0.07 -0.05 0.82 -1.00 0.00 0.00 179.01 178.87 3mt1 h ILE 180 N 0.00 1.27 -0.67 3.13 2.04 -1.79 -2.79 117.51 118.71 3mt1 h ILE 180 Ca -0.00 -1.08 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3mt1 h ILE 180 Cb 0.47 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3mt1 h ILE 180 CO 0.01 0.36 0.40 -0.33 0.00 0.00 0.00 178.15 178.58 3mt1 h GLU 181 N 0.46 0.91 -0.26 2.37 5.08 -1.21 -1.35 114.58 120.58 3mt1 h GLU 181 Ca 0.10 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3mt1 h GLU 181 Cb 0.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3mt1 h GLU 181 CO 0.03 0.65 -0.29 0.93 -1.00 0.00 0.00 179.01 179.33 3mt1 h GLU 182 N 0.91 0.52 0.07 2.33 5.08 -1.56 0.90 114.58 122.83 3mt1 h GLU 182 Ca 0.24 -0.21 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 3mt1 h GLU 182 Cb -0.02 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3mt1 h GLU 182 CO -0.04 0.76 -1.34 0.00 -1.00 0.00 0.00 179.01 177.39 3mt1 h ARG 183 N 0.45 0.15 0.00 2.33 3.08 -1.40 -3.42 114.38 115.56 3mt1 h ARG 183 Ca 0.06 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3mt1 h ARG 183 Cb 0.73 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3mt1 h ARG 183 CO 0.06 1.02 0.00 1.19 -1.07 0.00 0.00 179.97 181.17 3mt1 n PHE 184 N -3.38 0.00 -0.33 3.04 3.01 -0.52 -4.86 117.46 114.42 3mt1 n PHE 184 Ca -0.10 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.53 3mt1 n PHE 184 Cb 1.01 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 40.82 3mt1 n PHE 184 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mt1 h GLY 185 N 0.00 1.43 0.99 1.37 0.00 0.82 0.31 103.07 108.00 3mt1 h GLY 185 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3mt1 h GLY 185 CO 0.00 -0.53 0.32 0.00 0.00 0.00 0.00 176.54 176.33 3mt1 h ALA 186 N 1.94 0.72 -0.28 3.60 0.00 -1.89 -2.76 119.26 120.59 3mt1 h ALA 186 Ca 0.63 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.26 3mt1 h ALA 186 Cb 1.37 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3mt1 h ALA 186 CO -0.84 0.22 -0.56 -0.07 0.00 0.00 0.00 179.25 178.01 3mt1 h LEU 187 N 0.76 0.98 -0.38 0.00 3.38 -0.85 -3.30 115.31 115.90 3mt1 h LEU 187 Ca 0.20 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.68 3mt1 h LEU 187 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3mt1 h LEU 187 CO -0.03 1.33 0.15 0.40 0.09 0.00 0.00 178.44 180.37 3mt1 h ILE 188 N 0.67 0.91 -1.21 1.22 2.04 -0.83 -1.65 117.51 118.66 3mt1 h ILE 188 Ca 0.01 -0.11 0.35 0.00 1.00 0.00 0.00 64.86 66.11 3mt1 h ILE 188 Cb 1.17 0.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.75 3mt1 h ILE 188 CO 0.12 0.06 0.83 0.00 0.00 0.00 0.00 178.15 179.16 3mt1 h ALA 189 N 1.23 2.83 0.00 1.87 0.00 -1.57 -1.94 119.26 121.68 3mt1 h ALA 189 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3mt1 h ALA 189 Cb 0.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mt1 h ALA 189 CO -0.16 -1.24 -0.37 0.54 0.00 0.00 0.00 179.25 178.02 3mt1 n ARG 190 N -4.38 0.26 -3.38 0.00 1.74 -0.62 -4.85 116.66 105.44 3mt1 n ARG 190 Ca 0.28 0.13 -0.22 0.00 -0.77 0.00 0.00 57.85 57.27 3mt1 n ARG 190 Cb 1.20 -1.72 0.03 0.00 -1.02 0.00 0.00 32.46 30.95 3mt1 n ARG 190 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mt1 s VAL 191 N -3.13 2.03 -0.11 1.55 -7.23 -0.73 -5.04 120.40 107.74 3mt1 s VAL 191 Ca 0.08 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.06 3mt1 s VAL 191 Cb 0.13 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.86 3mt1 s VAL 191 CO 0.67 0.00 0.80 -0.90 -0.31 0.00 0.00 175.10 175.36 3mt1 n ASP 192 N -2.01 1.63 -3.64 4.85 5.68 -0.29 -4.72 116.55 118.06 3mt1 n ASP 192 Ca 0.08 -1.57 -0.14 0.00 -0.50 0.00 0.00 54.79 52.66 3mt1 n ASP 192 Cb 0.62 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.53 3mt1 n ASP 192 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 3mt1 s TRP 193 N -0.59 -0.37 -0.01 2.11 1.48 -1.14 -2.12 118.94 118.31 3mt1 s TRP 193 Ca 0.02 0.50 0.00 0.00 -1.06 0.00 0.00 56.10 55.56 3mt1 s TRP 193 Cb 0.01 0.26 0.01 0.00 -1.16 0.00 0.00 33.47 32.59 3mt1 s TRP 193 CO 0.01 -0.55 0.00 0.08 -4.06 0.00 0.00 176.95 172.44 3mt1 s VAL 194 N -1.85 0.05 -0.21 -0.66 1.01 -0.29 -1.96 120.40 116.49 3mt1 s VAL 194 Ca -0.09 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3mt1 s VAL 194 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 3mt1 s VAL 194 CO 0.03 0.05 -0.02 -0.55 0.00 0.00 0.00 175.10 174.60 3mt1 s SER 195 N 0.30 4.61 0.00 3.32 0.15 -0.22 -0.43 113.70 121.44 3mt1 s SER 195 Ca -0.03 -0.28 0.16 0.00 0.70 0.00 0.00 55.95 56.51 3mt1 s SER 195 Cb -0.04 -1.79 0.52 0.00 -1.71 0.00 0.00 66.02 63.00 3mt1 s SER 195 CO -0.01 0.04 1.40 0.18 1.20 0.00 0.00 173.24 176.05 3mt1 n LEU 196 N 4.43 1.83 0.00 3.45 4.77 0.69 -0.84 117.00 131.34 3mt1 n LEU 196 Ca -0.17 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3mt1 n LEU 196 Cb 0.51 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3mt1 n LEU 196 CO 0.30 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3mt1 n GLY 197 N 1.11 0.11 0.00 -0.72 0.00 -1.13 -4.52 105.19 100.03 3mt1 n GLY 197 Ca 0.14 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3mt1 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt1 n GLY 198 N 0.00 5.06 2.81 -0.02 0.00 -1.24 -0.48 105.19 111.31 3mt1 n GLY 198 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3mt1 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mt1 n GLY 199 N 4.92 0.54 3.39 -0.02 0.00 -1.26 -4.36 105.19 108.40 3mt1 n GLY 199 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3mt1 n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mt1 s ILE 200 N -2.44 4.33 -1.33 -0.61 1.01 -1.26 0.01 121.20 120.91 3mt1 s ILE 200 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 3mt1 s ILE 200 Cb 0.00 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.36 3mt1 s ILE 200 CO 0.00 0.05 2.36 1.57 0.00 0.00 0.00 174.94 178.93 3mt1 n HIS 201 N 4.93 2.61 1.01 3.97 -0.00 0.54 -4.67 115.22 123.62 3mt1 n HIS 201 Ca -0.14 -2.83 0.13 0.00 0.46 0.00 0.00 57.72 55.35 3mt1 n HIS 201 Cb 0.48 -1.85 0.61 0.00 -0.12 0.00 0.00 29.99 29.11 3mt1 n HIS 201 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 3mt1 n PHE 202 N 1.89 0.00 1.49 1.57 1.16 -1.26 -2.75 117.46 119.55 3mt1 n PHE 202 Ca 0.61 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 56.33 3mt1 n PHE 202 Cb 0.25 -0.47 0.52 0.00 -1.61 0.00 0.00 39.48 38.18 3mt1 n PHE 202 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3mt1 n THR 203 N -1.47 0.02 -1.82 1.97 -2.24 -1.26 -4.79 114.28 104.69 3mt1 n THR 203 Ca 0.08 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 3mt1 n THR 203 Cb 0.31 0.46 0.05 0.00 -2.10 0.00 0.00 70.33 69.05 3mt1 n THR 203 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mt1 s GLY 204 N -1.96 2.46 0.28 3.38 0.00 -1.11 -4.95 107.32 105.43 3mt1 s GLY 204 Ca 0.38 0.82 -0.29 0.00 0.00 0.00 0.00 44.72 45.63 3mt1 s GLY 204 CO 0.33 1.20 1.39 0.99 0.00 0.00 0.00 173.10 177.01 3mt1 s ASP 205 N -2.00 6.69 0.00 1.64 1.01 -1.26 -2.61 116.67 120.14 3mt1 s ASP 205 Ca 0.73 2.68 0.00 0.00 0.71 0.00 0.00 52.55 56.67 3mt1 s ASP 205 Cb -0.26 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.03 3mt1 s ASP 205 CO 0.38 -0.64 0.00 0.47 0.21 0.00 0.00 175.17 175.58 3mt1 n ASP 206 N 1.70 0.00 -4.77 0.27 8.00 -1.26 -5.03 116.55 115.47 3mt1 n ASP 206 Ca 0.04 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 3mt1 n ASP 206 Cb 0.41 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 3mt1 n ASP 206 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3mt1 s TYR 207 N -3.44 2.89 -1.34 1.24 5.04 -1.07 -4.87 117.35 115.80 3mt1 s TYR 207 Ca 0.00 1.35 -0.16 0.00 -2.44 0.00 0.00 57.07 55.82 3mt1 s TYR 207 Cb 0.00 -3.77 0.03 0.00 0.35 0.00 0.00 41.96 38.57 3mt1 s TYR 207 CO 0.00 -2.19 2.06 -2.30 -1.34 0.00 0.00 175.55 171.78 3mt1 n PRO 208 N 0.60 2.78 0.16 4.97 -0.02 -1.26 -4.75 135.00 137.48 3mt1 n PRO 208 Ca 0.01 -2.72 0.13 0.00 -2.02 0.00 0.00 63.50 58.90 3mt1 n PRO 208 Cb 0.41 -3.33 0.67 0.00 -0.02 0.00 0.00 33.50 31.23 3mt1 n PRO 208 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3mt1 h VAL 209 N 4.56 0.88 0.11 -1.45 2.07 -1.89 -0.41 116.25 120.13 3mt1 h VAL 209 Ca 0.51 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.70 3mt1 h VAL 209 Cb 0.72 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3mt1 h VAL 209 CO 1.75 0.00 -1.75 0.44 0.02 0.00 0.00 177.57 178.03 3mt1 h ASP 210 N 0.00 0.38 -0.37 0.57 3.32 -1.99 -1.18 116.42 117.15 3mt1 h ASP 210 Ca 0.10 -0.87 0.08 0.00 0.02 0.00 0.00 57.03 56.36 3mt1 h ASP 210 Cb 0.40 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 3mt1 h ASP 210 CO -0.00 1.75 -0.15 0.00 -1.72 0.00 0.00 179.24 179.13 3mt1 h ALA 211 N -0.03 0.15 -0.81 3.45 0.00 -1.93 -0.83 119.26 119.26 3mt1 h ALA 211 Ca -0.38 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.68 3mt1 h ALA 211 Cb 1.88 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 20.01 3mt1 h ALA 211 CO 0.05 -0.52 0.53 0.35 0.00 0.00 0.00 179.25 179.66 3mt1 h PHE 212 N -0.08 1.01 -0.86 0.00 3.57 -1.11 -0.11 116.94 119.36 3mt1 h PHE 212 Ca 0.18 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3mt1 h PHE 212 Cb 0.35 -0.34 -0.05 0.00 2.79 0.00 0.00 35.95 38.70 3mt1 h PHE 212 CO -0.38 0.62 0.55 0.77 -2.23 0.00 0.00 178.31 177.65 3mt1 h SER 213 N 1.08 0.92 -0.02 0.41 0.02 -1.07 -1.50 113.55 113.38 3mt1 h SER 213 Ca 0.30 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3mt1 h SER 213 Cb -0.10 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3mt1 h SER 213 CO -0.07 0.63 -0.38 0.00 -1.14 0.00 0.00 176.83 175.87 3mt1 h ALA 214 N 1.36 0.91 -0.14 3.77 0.00 -0.36 -0.25 119.26 124.55 3mt1 h ALA 214 Ca 0.35 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 3mt1 h ALA 214 Cb 0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mt1 h ALA 214 CO -0.12 0.63 -0.56 -0.09 0.00 0.00 0.00 179.25 179.11 3mt1 h ARG 215 N 0.44 0.43 -0.21 0.00 9.65 -0.88 -2.52 114.38 121.29 3mt1 h ARG 215 Ca 0.04 -0.28 -0.02 0.00 -1.10 0.00 0.00 59.98 58.63 3mt1 h ARG 215 Cb 0.86 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 3mt1 h ARG 215 CO 0.07 0.88 0.07 -0.07 2.80 0.00 0.00 179.97 183.72 3mt1 h LEU 216 N 0.33 0.31 -0.54 3.80 3.38 -0.92 -2.71 115.31 118.95 3mt1 h LEU 216 Ca 0.00 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3mt1 h LEU 216 Cb 1.08 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 3mt1 h LEU 216 CO 0.10 0.41 0.07 0.03 0.09 0.00 0.00 178.44 179.14 3mt1 h ARG 217 N 0.18 0.19 -0.33 1.13 3.08 -0.94 -1.66 114.38 116.03 3mt1 h ARG 217 Ca 0.07 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 3mt1 h ARG 217 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3mt1 h ARG 217 CO -0.00 0.13 -0.27 0.00 -1.07 0.00 0.00 179.97 178.75 3mt1 h ALA 218 N 1.45 0.90 -0.24 0.04 0.00 -1.36 0.37 119.26 120.42 3mt1 h ALA 218 Ca 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3mt1 h ALA 218 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3mt1 h ALA 218 CO -0.40 0.62 -0.00 0.35 0.00 0.00 0.00 179.25 179.82 3mt1 h PHE 219 N 0.58 0.47 -0.20 0.00 3.04 -1.22 -0.77 116.94 118.83 3mt1 h PHE 219 Ca 0.07 -0.08 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 3mt1 h PHE 219 Cb 0.77 -0.12 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 3mt1 h PHE 219 CO 0.04 0.60 -0.25 1.03 -2.02 0.00 0.00 178.31 177.70 3mt1 h SER 220 N 0.20 0.38 0.23 0.41 0.87 -0.91 -2.22 113.55 112.51 3mt1 h SER 220 Ca 0.07 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 3mt1 h SER 220 Cb 0.41 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 3mt1 h SER 220 CO 0.01 0.64 -0.11 0.44 -0.53 0.00 0.00 176.83 177.28 3mt1 h ASP 221 N 0.34 -0.26 -0.52 6.23 3.32 -0.17 -1.28 116.42 124.09 3mt1 h ASP 221 Ca 0.05 -0.27 0.10 0.00 0.02 0.00 0.00 57.03 56.94 3mt1 h ASP 221 Cb 0.63 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 40.14 3mt1 h ASP 221 CO 0.05 0.25 -0.24 -0.09 -1.72 0.00 0.00 179.24 177.48 3mt1 h ARG 222 N -0.88 -0.12 -0.00 3.56 2.43 -1.15 -3.06 114.38 115.16 3mt1 h ARG 222 Ca -0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mt1 h ARG 222 Cb 0.51 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3mt1 h ARG 222 CO 0.05 -0.08 -0.50 0.66 -1.51 0.00 0.00 179.97 178.59 3mt1 n TYR 223 N -5.42 0.00 -3.66 2.20 4.01 -0.84 -4.98 117.16 108.47 3mt1 n TYR 223 Ca 0.04 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.56 3mt1 n TYR 223 Cb 0.33 -0.14 0.05 0.00 -0.31 0.00 0.00 39.34 39.27 3mt1 n TYR 223 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mt1 n GLY 224 N 1.44 -0.38 3.36 2.72 0.00 -0.49 -4.44 105.19 107.40 3mt1 n GLY 224 Ca 0.08 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 3mt1 n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mt1 s VAL 225 N -3.48 2.02 -0.04 1.61 -7.23 -1.16 -4.77 120.40 107.35 3mt1 s VAL 225 Ca 0.21 -1.84 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 3mt1 s VAL 225 Cb -0.10 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 3mt1 s VAL 225 CO 0.78 -0.14 0.86 -1.58 -0.31 0.00 0.00 175.10 174.71 3mt1 s GLN 226 N -2.45 4.49 -0.02 4.82 2.00 -0.90 -4.69 119.66 122.91 3mt1 s GLN 226 Ca 0.15 1.17 -0.17 0.00 -2.00 0.00 0.00 55.36 54.51 3mt1 s GLN 226 Cb -0.08 -3.46 -0.05 0.00 0.80 0.00 0.00 33.01 30.21 3mt1 s GLN 226 CO 0.07 -0.03 0.48 0.42 -0.50 0.00 0.00 175.29 175.73 3mt1 s ILE 227 N 1.02 5.01 -0.10 -2.34 1.01 -1.26 -1.13 121.20 123.40 3mt1 s ILE 227 Ca 0.45 0.99 -0.00 0.00 0.00 0.00 0.00 60.65 62.09 3mt1 s ILE 227 Cb -0.19 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 3mt1 s ILE 227 CO 0.23 0.47 -0.08 -0.31 0.00 0.00 0.00 174.94 175.26 3mt1 s TYR 228 N -0.43 2.93 0.04 3.97 2.02 0.43 -0.38 117.35 125.92 3mt1 s TYR 228 Ca 0.26 -0.20 0.03 0.00 -0.37 0.00 0.00 57.07 56.80 3mt1 s TYR 228 Cb -0.17 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3mt1 s TYR 228 CO 0.14 0.12 -0.00 -0.51 -1.57 0.00 0.00 175.55 173.73 3mt1 s LEU 229 N -0.27 3.46 -0.63 -1.29 1.43 0.13 -0.22 118.68 121.30 3mt1 s LEU 229 Ca 0.03 -0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 3mt1 s LEU 229 Cb -0.13 -2.08 0.31 0.00 0.03 0.00 0.00 46.19 44.32 3mt1 s LEU 229 CO 0.03 0.23 0.93 -0.62 0.23 0.00 0.00 176.35 177.15 3mt1 n GLU 230 N 1.04 3.14 -2.18 1.70 1.02 0.36 -0.86 120.64 124.87 3mt1 n GLU 230 Ca -0.13 -4.80 -0.42 0.00 -0.02 0.00 0.00 57.16 51.79 3mt1 n GLU 230 Cb 0.52 -2.26 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 3mt1 n GLU 230 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3mt1 s PRO 231 N -3.19 4.22 0.00 3.49 0.04 -1.06 -3.61 135.00 134.88 3mt1 s PRO 231 Ca 0.45 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3mt1 s PRO 231 Cb 0.23 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.94 3mt1 s PRO 231 CO -0.09 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.61 3mt1 n GLY 232 N 3.87 0.66 0.34 0.56 0.00 -1.26 -2.82 105.19 106.54 3mt1 n GLY 232 Ca 0.15 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.39 3mt1 n GLY 232 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mt1 h GLU 233 N 0.00 0.38 0.00 1.61 4.57 -1.92 -1.23 114.58 117.99 3mt1 h GLU 233 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3mt1 h GLU 233 Cb 0.00 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3mt1 h GLU 233 CO 0.00 0.25 -0.05 0.00 -1.18 0.00 0.00 179.01 178.03 3mt1 h ALA 234 N 1.82 1.05 0.00 2.92 0.00 -1.85 -1.24 119.26 121.96 3mt1 h ALA 234 Ca 0.71 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.47 3mt1 h ALA 234 Cb 1.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3mt1 h ALA 234 CO -0.57 0.06 -0.48 0.77 0.00 0.00 0.00 179.25 179.03 3mt1 h SER 235 N 0.00 0.00 0.00 0.00 0.02 -1.43 -3.37 113.55 108.77 3mt1 h SER 235 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3mt1 h SER 235 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3mt1 h SER 235 CO 0.01 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.17 3mt1 n ILE 236 N -3.86 0.00 -1.62 3.27 0.13 -0.82 -4.80 119.36 111.66 3mt1 n ILE 236 Ca -0.01 -0.41 -0.50 0.00 -1.10 0.00 0.00 62.75 60.73 3mt1 n ILE 236 Cb 0.51 1.15 -0.05 0.00 -0.84 0.00 0.00 39.64 40.40 3mt1 n ILE 236 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 3mt1 n THR 237 N -0.16 0.00 -1.43 9.51 5.66 -0.53 -2.26 114.28 125.07 3mt1 n THR 237 Ca 0.00 -0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 3mt1 n THR 237 Cb 0.04 -1.09 -0.07 0.00 -1.55 0.00 0.00 70.33 67.66 3mt1 n THR 237 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3mt1 n LYS 238 N 2.86 -1.47 0.01 1.09 5.02 -1.26 -4.78 118.16 119.63 3mt1 n LYS 238 Ca 0.18 0.97 0.01 0.00 -2.02 0.00 0.00 58.31 57.45 3mt1 n LYS 238 Cb 0.23 -5.29 -0.10 0.00 -0.02 0.00 0.00 35.03 29.85 3mt1 n LYS 238 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3mt1 n SER 239 N -0.95 0.55 -4.11 4.39 3.41 -0.96 -4.85 113.62 111.11 3mt1 n SER 239 Ca -0.16 0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.50 3mt1 n SER 239 Cb 0.56 0.66 -0.14 0.00 -0.26 0.00 0.00 64.21 65.04 3mt1 n SER 239 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mt1 s THR 240 N -3.00 0.98 0.23 6.66 2.01 -1.26 -1.44 115.64 119.83 3mt1 s THR 240 Ca -0.05 -0.86 0.12 0.00 0.31 0.00 0.00 61.69 61.21 3mt1 s THR 240 Cb 0.09 -0.88 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 3mt1 s THR 240 CO 0.83 0.03 -0.21 0.42 -0.69 0.00 0.00 174.62 175.00 3mt1 s THR 241 N -0.73 2.46 -0.37 -0.82 -4.23 -0.69 -0.72 115.64 110.53 3mt1 s THR 241 Ca 0.01 -2.18 -0.11 0.00 -1.18 0.00 0.00 61.69 58.23 3mt1 s THR 241 Cb -0.07 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.56 3mt1 s THR 241 CO 0.01 -0.24 0.21 -0.22 -0.54 0.00 0.00 174.62 173.83 3mt1 s LEU 242 N -3.06 4.69 -0.16 4.79 2.96 -0.08 0.42 118.68 128.25 3mt1 s LEU 242 Ca 0.25 -0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 52.95 3mt1 s LEU 242 Cb -0.07 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 3mt1 s LEU 242 CO 0.12 -0.37 0.85 -1.61 -1.32 0.00 0.00 176.35 174.02 3mt1 s GLU 243 N 1.57 4.31 0.20 1.98 0.41 0.60 -0.86 118.70 126.91 3mt1 s GLU 243 Ca 0.02 1.05 0.02 0.00 -0.41 0.00 0.00 54.97 55.65 3mt1 s GLU 243 Cb -0.19 -3.57 -0.05 0.00 -1.78 0.00 0.00 34.13 28.54 3mt1 s GLU 243 CO 0.07 -0.33 0.02 0.14 -0.49 0.00 0.00 175.26 174.67 3mt1 s VAL 244 N 2.14 0.70 0.10 2.63 -7.23 0.82 -2.67 120.40 116.89 3mt1 s VAL 244 Ca 0.39 -1.99 0.10 0.00 -1.81 0.00 0.00 61.98 58.67 3mt1 s VAL 244 Cb -0.17 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 3mt1 s VAL 244 CO 0.13 -0.35 -0.25 -0.89 -0.31 0.00 0.00 175.10 173.43 3mt1 s THR 245 N -3.64 2.37 0.11 5.32 2.01 -1.26 0.11 115.64 120.66 3mt1 s THR 245 Ca 0.28 -1.56 -0.28 0.00 0.31 0.00 0.00 61.69 60.43 3mt1 s THR 245 Cb 0.06 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.49 3mt1 s THR 245 CO 0.07 0.19 0.89 -0.69 -0.69 0.00 0.00 174.62 174.39 3mt1 s VAL 246 N -0.99 4.52 -0.07 3.82 1.01 0.74 -2.01 120.40 127.43 3mt1 s VAL 246 Ca 0.14 1.92 0.07 0.00 0.00 0.00 0.00 61.98 64.11 3mt1 s VAL 246 Cb -0.10 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.92 3mt1 s VAL 246 CO 0.06 0.36 0.05 0.18 0.00 0.00 0.00 175.10 175.74 3mt1 n LEU 247 N 2.60 0.00 -3.65 3.92 4.77 0.14 -0.97 117.00 123.82 3mt1 n LEU 247 Ca -0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 3mt1 n LEU 247 Cb 0.49 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3mt1 n LEU 247 CO 0.49 0.18 0.17 -0.62 -1.33 0.00 0.00 177.39 176.28 3mt1 s ASP 248 N -3.88 -0.30 0.04 -1.43 2.15 -1.23 -4.87 116.67 107.15 3mt1 s ASP 248 Ca -0.04 -0.01 0.06 0.00 0.43 0.00 0.00 52.55 52.99 3mt1 s ASP 248 Cb 0.03 0.44 -0.02 0.00 -0.30 0.00 0.00 42.92 43.06 3mt1 s ASP 248 CO 0.34 -0.69 -0.18 -0.89 -0.17 0.00 0.00 175.17 173.58 3mt1 s THR 249 N -2.63 1.42 -0.07 1.71 2.01 -1.26 -1.79 115.64 115.03 3mt1 s THR 249 Ca -0.04 -1.09 -0.17 0.00 0.31 0.00 0.00 61.69 60.70 3mt1 s THR 249 Cb -0.00 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.29 3mt1 s THR 249 CO -0.03 0.13 0.40 -0.76 -0.69 0.00 0.00 174.62 173.67 3mt1 s LEU 250 N -1.11 0.47 -0.41 4.42 1.43 -0.52 -5.02 118.68 117.94 3mt1 s LEU 250 Ca 0.05 0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 3mt1 s LEU 250 Cb -0.08 1.51 0.11 0.00 0.03 0.00 0.00 46.19 47.76 3mt1 s LEU 250 CO 0.01 -0.36 0.14 -0.47 0.23 0.00 0.00 176.35 175.90 3mt1 s TYR 251 N -0.76 3.53 0.00 0.29 5.04 -1.26 -1.37 117.35 122.82 3mt1 s TYR 251 Ca -0.08 -3.07 0.00 0.00 -2.44 0.00 0.00 57.07 51.48 3mt1 s TYR 251 Cb -0.04 -2.89 0.00 0.00 0.35 0.00 0.00 41.96 39.38 3mt1 s TYR 251 CO 0.04 -0.87 0.11 0.27 -1.34 0.00 0.00 175.55 173.76 3mt1 n ASN 252 N 3.79 0.00 0.00 4.32 6.94 -1.26 -5.05 115.26 124.00 3mt1 n ASN 252 Ca 0.04 0.48 0.00 0.00 -0.02 0.00 0.00 54.58 55.09 3mt1 n ASN 252 Cb 0.38 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3mt1 n ASN 252 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3mt1 n LYS 254 N -1.77 0.00 -3.17 -3.83 4.76 -1.26 -5.16 118.16 107.73 3mt1 n LYS 254 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 3mt1 n LYS 254 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 3mt1 n LYS 254 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3mt1 s ASN 255 N 0.00 6.96 -0.02 4.39 0.01 -1.26 -5.05 114.94 119.98 3mt1 s ASN 255 Ca 0.00 1.15 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 3mt1 s ASN 255 Cb 0.00 -2.37 -0.02 0.00 0.41 0.00 0.00 41.25 39.27 3mt1 s ASN 255 CO 0.00 0.04 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.65 3mt1 s LEU 256 N 0.13 2.04 -0.03 0.60 1.43 -0.47 -4.33 118.68 118.04 3mt1 s LEU 256 Ca 0.32 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3mt1 s LEU 256 Cb -0.18 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3mt1 s LEU 256 CO 0.17 0.26 -0.06 0.00 0.23 0.00 0.00 176.35 176.95 3mt1 s ALA 257 N -0.49 0.73 -0.18 4.21 0.00 -1.26 -1.44 121.76 123.33 3mt1 s ALA 257 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 3mt1 s ALA 257 Cb -0.08 -0.35 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3mt1 s ALA 257 CO -0.01 0.06 0.26 0.42 0.00 0.00 0.00 175.76 176.50 3mt1 s ILE 258 N 0.52 5.32 0.33 0.00 -1.09 -0.74 -0.47 121.20 125.07 3mt1 s ILE 258 Ca -0.07 0.47 0.09 0.00 -2.23 0.00 0.00 60.65 58.90 3mt1 s ILE 258 Cb -0.11 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.12 3mt1 s ILE 258 CO 0.00 0.38 0.09 0.68 -1.23 0.00 0.00 174.94 174.87 3mt1 s VAL 259 N 0.59 2.98 -0.20 2.92 -7.23 -0.69 0.24 120.40 119.02 3mt1 s VAL 259 Ca 0.14 -1.79 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3mt1 s VAL 259 Cb -0.13 -2.92 -0.11 0.00 0.56 0.00 0.00 36.38 33.78 3mt1 s VAL 259 CO 0.03 -0.21 3.20 -0.90 -0.31 0.00 0.00 175.10 176.91 3mt1 n ASP 260 N -1.07 5.79 -2.87 4.85 5.75 -0.85 -3.40 116.55 124.75 3mt1 n ASP 260 Ca -0.04 -2.80 -0.11 0.00 -0.01 0.00 0.00 54.79 51.84 3mt1 n ASP 260 Cb 0.61 -1.33 0.01 0.00 -1.03 0.00 0.00 41.12 39.39 3mt1 n ASP 260 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3mt1 n SER 261 N 1.75 -2.04 -3.69 -1.12 2.88 -1.26 -4.20 113.62 105.92 3mt1 n SER 261 Ca 0.44 -2.70 -0.10 0.00 -1.33 0.00 0.00 58.87 55.18 3mt1 n SER 261 Cb 0.75 3.49 -0.11 0.00 -0.75 0.00 0.00 64.21 67.59 3mt1 n SER 261 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3mt1 s SER 262 N -3.12 -0.45 0.50 -3.46 0.15 -1.26 0.16 113.70 106.22 3mt1 s SER 262 Ca 0.20 0.87 0.17 0.00 0.70 0.00 0.00 55.95 57.89 3mt1 s SER 262 Cb -0.04 0.80 1.22 0.00 -1.71 0.00 0.00 66.02 66.30 3mt1 s SER 262 CO 0.15 -0.20 2.10 0.16 1.20 0.00 0.00 173.24 176.65 3mt1 h ILE 263 N 5.65 1.00 -0.39 6.45 3.07 -1.93 0.30 117.51 131.66 3mt1 h ILE 263 Ca -0.34 -0.22 -0.12 0.00 1.55 0.00 0.00 64.86 65.72 3mt1 h ILE 263 Cb 1.17 1.12 -0.01 0.00 -0.27 0.00 0.00 36.82 38.83 3mt1 h ILE 263 CO 0.28 0.06 -0.26 -0.08 -1.05 0.00 0.00 178.15 177.11 3mt1 h GLU 264 N 0.00 0.81 0.00 0.16 4.81 -1.95 -2.63 114.58 115.78 3mt1 h GLU 264 Ca -0.00 -0.35 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 3mt1 h GLU 264 Cb 0.12 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3mt1 h GLU 264 CO 0.01 0.97 -1.30 0.00 -0.73 0.00 0.00 179.01 177.96 3mt1 h ALA 265 N 1.01 0.64 0.00 2.92 0.00 -1.71 -3.40 119.26 118.72 3mt1 h ALA 265 Ca 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3mt1 h ALA 265 Cb 0.79 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3mt1 h ALA 265 CO 0.06 0.79 -0.06 0.72 0.00 0.00 0.00 179.25 180.77 3mt1 n HIS 266 N -2.89 0.00 0.00 0.00 8.25 0.04 -1.46 115.22 119.17 3mt1 n HIS 266 Ca -0.08 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 3mt1 n HIS 266 Cb 0.80 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.82 3mt1 n HIS 266 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3mt1 n LEU 268 N -0.77 0.00 -0.23 2.41 7.94 -0.99 -4.83 117.00 120.53 3mt1 n LEU 268 Ca 0.07 0.00 0.17 0.00 -1.11 0.00 0.00 56.01 55.13 3mt1 n LEU 268 Cb 0.49 0.00 0.48 0.00 0.53 0.00 0.00 43.42 44.91 3mt1 n LEU 268 CO 0.00 0.00 1.22 0.44 -1.11 0.00 0.00 177.39 177.94 3mt1 h ASP 269 N 0.00 0.46 -0.83 1.96 5.19 -1.85 0.80 116.42 122.15 3mt1 h ASP 269 Ca 0.00 0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.41 3mt1 h ASP 269 Cb 0.00 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.42 3mt1 h ASP 269 CO 0.00 0.21 0.37 -0.07 -3.12 0.00 0.00 179.24 176.63 3mt1 h LEU 270 N 0.47 1.11 -0.02 1.55 3.38 -1.87 -1.18 115.31 118.76 3mt1 h LEU 270 Ca 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3mt1 h LEU 270 Cb 1.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3mt1 h LEU 270 CO -0.17 0.95 -0.04 0.25 0.09 0.00 0.00 178.44 179.52 3mt1 h LEU 271 N 1.20 0.07 -0.55 1.67 5.85 -1.50 -1.33 115.31 120.72 3mt1 h LEU 271 Ca 0.28 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.50 3mt1 h LEU 271 Cb 0.16 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3mt1 h LEU 271 CO -0.03 0.63 0.19 0.40 -0.34 0.00 0.00 178.44 179.29 3mt1 h ILE 272 N -0.50 0.79 -0.02 4.05 2.04 -0.69 -2.40 117.51 120.79 3mt1 h ILE 272 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3mt1 h ILE 272 Cb 0.62 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3mt1 h ILE 272 CO 0.01 0.07 -0.07 -1.22 0.00 0.00 0.00 178.15 176.94 3mt1 n TYR 273 N -5.01 0.00 -3.59 1.37 4.01 -0.46 -4.97 117.16 108.50 3mt1 n TYR 273 Ca 0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.59 3mt1 n TYR 273 Cb 0.23 -0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 3mt1 n TYR 273 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3mt1 n ARG 274 N 0.85 -3.85 -4.18 -0.72 5.12 -0.66 -5.02 116.66 108.21 3mt1 n ARG 274 Ca 0.14 0.65 -0.27 0.00 -1.93 0.00 0.00 57.85 56.45 3mt1 n ARG 274 Cb 0.52 -5.14 -0.05 0.00 -1.16 0.00 0.00 32.46 26.63 3mt1 n ARG 274 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 3mt1 s GLU 275 N -5.65 2.23 0.20 5.56 0.41 -0.59 -5.04 118.70 115.83 3mt1 s GLU 275 Ca 0.17 -2.02 0.10 0.00 -0.41 0.00 0.00 54.97 52.81 3mt1 s GLU 275 Cb -0.04 -1.93 -0.04 0.00 -1.78 0.00 0.00 34.13 30.33 3mt1 s GLU 275 CO 0.80 -0.34 -0.11 0.95 -0.49 0.00 0.00 175.26 176.07 3mt1 s THR 276 N -2.72 3.03 0.25 3.63 -4.23 -1.26 -4.63 115.64 109.71 3mt1 s THR 276 Ca 0.31 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3mt1 s THR 276 Cb 0.01 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.39 3mt1 s THR 276 CO 0.18 -0.18 0.34 0.00 -0.54 0.00 0.00 174.62 174.43 3mt1 n ALA 277 N -0.12 -0.37 -2.67 3.99 0.00 0.16 -5.00 120.51 116.49 3mt1 n ALA 277 Ca -0.10 -0.46 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 3mt1 n ALA 277 Cb 0.56 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.85 3mt1 n ALA 277 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mt1 s LYS 278 N -3.72 1.12 0.20 0.00 1.02 -1.26 -4.91 119.74 112.19 3mt1 s LYS 278 Ca 0.20 -0.46 0.09 0.00 0.02 0.00 0.00 55.97 55.81 3mt1 s LYS 278 Cb -0.01 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 3mt1 s LYS 278 CO 0.14 0.26 -0.17 0.08 -0.92 0.00 0.00 175.35 174.74 3mt1 s VAL 279 N -0.21 1.86 -0.01 3.17 1.01 -1.26 -0.50 120.40 124.46 3mt1 s VAL 279 Ca 0.03 -2.13 0.02 0.00 0.00 0.00 0.00 61.98 59.90 3mt1 s VAL 279 Cb -0.06 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 3mt1 s VAL 279 CO -0.00 -0.47 -0.06 -0.76 0.00 0.00 0.00 175.10 173.81 3mt1 s LEU 280 N -3.10 1.97 0.66 3.92 1.43 -1.26 -3.89 118.68 118.41 3mt1 s LEU 280 Ca 0.21 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 3mt1 s LEU 280 Cb -0.03 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.85 3mt1 s LEU 280 CO 0.08 0.07 1.06 -2.16 0.23 0.00 0.00 176.35 175.63 3mt1 s PRO 281 N -0.09 3.03 -1.18 1.29 0.04 -1.26 -4.99 135.00 131.85 3mt1 s PRO 281 Ca 0.02 1.08 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 3mt1 s PRO 281 Cb -0.03 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.73 3mt1 s PRO 281 CO -0.00 -1.03 2.09 -1.71 0.04 0.00 0.00 177.00 176.38 3mt1 n ASN 282 N -2.71 7.62 -4.27 6.66 5.15 -1.25 -4.79 115.26 121.67 3mt1 n ASN 282 Ca 0.08 -3.41 -0.15 0.00 -0.60 0.00 0.00 54.58 50.51 3mt1 n ASN 282 Cb 0.53 -1.27 -0.10 0.00 -0.53 0.00 0.00 39.78 38.41 3mt1 n ASN 282 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3mt1 s GLU 283 N -2.67 1.21 0.00 1.20 0.41 -1.24 -4.49 118.70 113.12 3mt1 s GLU 283 Ca 0.46 -1.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.41 3mt1 s GLU 283 Cb 0.18 -0.28 0.00 0.00 -1.78 0.00 0.00 34.13 32.25 3mt1 s GLU 283 CO -0.10 -0.18 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 3mt1 n GLY 284 N -0.32 0.67 0.96 -1.39 0.00 -1.26 -2.52 105.19 101.34 3mt1 n GLY 284 Ca -0.04 -2.22 -0.00 0.00 0.00 0.00 0.00 46.02 43.75 3mt1 n GLY 284 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mt1 n SER 285 N 0.00 2.30 -4.04 1.61 3.41 -0.97 -4.55 113.62 111.39 3mt1 n SER 285 Ca 0.00 -3.75 -0.32 0.00 -0.26 0.00 0.00 58.87 54.54 3mt1 n SER 285 Cb 0.00 -0.48 -0.14 0.00 -0.26 0.00 0.00 64.21 63.33 3mt1 n SER 285 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3mt1 s HIS 286 N -3.15 3.72 -0.22 7.33 3.76 -0.81 -5.00 115.29 120.92 3mt1 s HIS 286 Ca 0.40 -2.87 -0.21 0.00 -0.15 0.00 0.00 55.06 52.23 3mt1 s HIS 286 Cb 0.38 -2.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.11 3mt1 s HIS 286 CO -0.05 -0.95 0.65 0.45 -0.85 0.00 0.00 174.74 173.98 3mt1 s SER 287 N 1.07 6.66 0.00 1.40 0.15 -1.26 -2.05 113.70 119.66 3mt1 s SER 287 Ca 0.10 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.55 3mt1 s SER 287 Cb -0.20 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3mt1 s SER 287 CO -0.07 -0.33 0.00 -1.22 1.20 0.00 0.00 173.24 172.82 3mt1 n TYR 288 N 5.38 0.00 -3.54 3.44 4.01 0.77 -4.05 117.16 123.16 3mt1 n TYR 288 Ca -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3mt1 n TYR 288 Cb 0.49 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.47 3mt1 n TYR 288 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3mt1 s ILE 290 N 2.20 -0.26 0.20 -0.72 1.09 -0.64 0.47 121.20 123.54 3mt1 s ILE 290 Ca 0.00 0.00 0.11 0.00 -1.10 0.00 0.00 60.65 59.66 3mt1 s ILE 290 Cb 0.00 -1.00 -0.04 0.00 -1.06 0.00 0.00 42.46 40.36 3mt1 s ILE 290 CO 0.00 0.00 -0.21 0.00 -0.10 0.00 0.00 174.94 174.63 3mt1 s GLY 292 N -2.83 1.62 0.00 0.00 0.00 0.60 -1.70 107.32 105.01 3mt1 s GLY 292 Ca 0.21 -0.74 0.32 0.00 0.00 0.00 0.00 44.72 44.51 3mt1 s GLY 292 CO 0.10 -0.10 2.20 1.17 0.00 0.00 0.00 173.10 176.47 3mt1 n LYS 293 N -3.86 0.98 -1.77 2.90 4.81 0.12 -4.73 118.16 116.61 3mt1 n LYS 293 Ca 0.09 -0.03 -0.30 0.00 -0.87 0.00 0.00 58.31 57.20 3mt1 n LYS 293 Cb 0.59 -1.50 0.05 0.00 0.02 0.00 0.00 35.03 34.20 3mt1 n LYS 293 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3mt1 s SER 294 N -2.04 5.28 0.23 3.14 0.15 -1.26 -4.99 113.70 114.20 3mt1 s SER 294 Ca 0.46 1.24 -0.03 0.00 0.70 0.00 0.00 55.95 58.33 3mt1 s SER 294 Cb 0.22 -2.05 0.23 0.00 -1.71 0.00 0.00 66.02 62.70 3mt1 s SER 294 CO 0.38 -1.46 1.64 0.00 1.20 0.00 0.00 173.24 174.99 3mt1 n LEU 296 N -4.10 0.92 -0.02 0.00 7.94 -1.26 -4.93 117.00 115.55 3mt1 n LEU 296 Ca -0.00 1.07 -0.12 0.00 -1.11 0.00 0.00 56.01 55.85 3mt1 n LEU 296 Cb 0.44 -1.20 -0.07 0.00 0.53 0.00 0.00 43.42 43.13 3mt1 n LEU 296 CO 0.44 -2.09 0.74 0.00 -1.11 0.00 0.00 177.39 175.38 3mt1 h ALA 297 N 1.42 0.11 -0.10 1.96 0.00 -2.03 -3.15 119.26 117.48 3mt1 h ALA 297 Ca -0.39 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mt1 h ALA 297 Cb 1.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3mt1 h ALA 297 CO 0.57 -0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3mt1 n GLY 298 N -0.32 1.76 2.90 0.00 0.00 -1.26 -4.63 105.19 103.64 3mt1 n GLY 298 Ca -0.06 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 3mt1 n GLY 298 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3mt1 n ASP 299 N 0.11 4.30 -3.93 1.61 -0.08 -1.19 -4.89 116.55 112.47 3mt1 n ASP 299 Ca 0.05 -2.91 -0.23 0.00 -1.51 0.00 0.00 54.79 50.19 3mt1 n ASP 299 Cb 0.41 -1.63 -0.17 0.00 2.34 0.00 0.00 41.12 42.07 3mt1 n ASP 299 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3mt1 s VAL 300 N 2.73 0.81 0.11 5.18 -7.23 -1.26 -0.29 120.40 120.44 3mt1 s VAL 300 Ca 0.46 -0.25 -0.10 0.00 -1.81 0.00 0.00 61.98 60.28 3mt1 s VAL 300 Cb 0.11 -0.80 -0.18 0.00 0.56 0.00 0.00 36.38 36.08 3mt1 s VAL 300 CO -0.05 0.29 1.28 -0.26 -0.31 0.00 0.00 175.10 176.06 3mt1 h PHE 301 N 7.34 0.94 0.00 2.82 -1.00 -1.06 -3.47 116.94 122.52 3mt1 h PHE 301 Ca -0.33 -0.46 0.00 0.00 2.81 0.00 0.00 57.97 59.99 3mt1 h PHE 301 Cb 1.16 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.59 3mt1 h PHE 301 CO 0.49 1.28 0.00 0.41 -1.61 0.00 0.00 178.31 178.88 3mt1 n GLY 302 N 0.84 2.72 3.61 -1.45 0.00 -1.23 0.40 105.19 110.07 3mt1 n GLY 302 Ca -0.08 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3mt1 n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mt1 s GLU 303 N -2.04 4.04 0.21 1.61 2.02 -1.26 -1.62 118.70 121.66 3mt1 s GLU 303 Ca 0.00 0.16 0.08 0.00 0.02 0.00 0.00 54.97 55.23 3mt1 s GLU 303 Cb 0.00 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 3mt1 s GLU 303 CO 0.00 -0.31 -0.14 -0.06 0.02 0.00 0.00 175.26 174.77 3mt1 s PHE 304 N 2.17 1.77 0.03 1.61 0.08 0.18 -4.92 117.98 118.89 3mt1 s PHE 304 Ca 0.18 -0.56 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 3mt1 s PHE 304 Cb -0.16 -0.82 -0.06 0.00 -0.57 0.00 0.00 43.02 41.41 3mt1 s PHE 304 CO 0.10 0.38 0.39 1.03 -0.10 0.00 0.00 175.22 177.02 3mt1 s ARG 305 N -3.64 3.83 0.10 0.44 0.52 -1.26 -0.17 118.95 118.77 3mt1 s ARG 305 Ca 0.23 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 3mt1 s ARG 305 Cb -0.01 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 3mt1 s ARG 305 CO 0.08 0.64 -0.07 -0.06 0.02 0.00 0.00 175.30 175.91 3mt1 s PHE 306 N -1.21 0.89 -0.03 -0.53 0.08 -0.87 -3.59 117.98 112.72 3mt1 s PHE 306 Ca 0.27 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.44 3mt1 s PHE 306 Cb -0.15 -0.51 -0.26 0.00 -0.57 0.00 0.00 43.02 41.52 3mt1 s PHE 306 CO 0.15 -0.14 0.72 0.00 -0.10 0.00 0.00 175.22 175.85 3mt1 h ALA 307 N 3.04 0.44 -4.45 5.36 0.00 -1.85 -2.04 119.26 119.76 3mt1 h ALA 307 Ca -0.35 -1.25 -0.64 0.00 0.00 0.00 0.00 54.91 52.66 3mt1 h ALA 307 Cb 1.17 0.41 -0.29 0.00 0.00 0.00 0.00 17.79 19.07 3mt1 h ALA 307 CO 0.63 1.30 -0.87 -1.21 0.00 0.00 0.00 179.25 179.10 3mt1 s GLU 308 N -2.60 1.82 -0.11 0.00 8.01 -1.26 -4.57 118.70 119.99 3mt1 s GLU 308 Ca -0.10 -0.86 -0.36 0.00 0.01 0.00 0.00 54.97 53.66 3mt1 s GLU 308 Cb 0.07 -1.79 -0.17 0.00 -4.31 0.00 0.00 34.13 27.93 3mt1 s GLU 308 CO 0.83 0.49 1.03 -1.91 0.01 0.00 0.00 175.26 175.71 3mt1 n GLU 309 N 2.39 0.00 -2.79 1.61 2.13 -1.26 -4.91 120.64 117.81 3mt1 n GLU 309 Ca -0.16 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.26 3mt1 n GLU 309 Cb 0.52 -1.29 -0.05 0.00 0.27 0.00 0.00 31.44 30.89 3mt1 n GLU 309 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3mt1 s LEU 310 N 0.64 4.59 0.12 4.31 1.43 -1.26 -5.06 118.68 123.43 3mt1 s LEU 310 Ca 0.81 1.83 0.10 0.00 -1.03 0.00 0.00 54.13 55.85 3mt1 s LEU 310 Cb -1.14 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 3mt1 s LEU 310 CO 0.54 0.09 -0.25 -0.54 0.23 0.00 0.00 176.35 176.42 3mt1 s LYS 311 N -0.75 1.33 -0.09 1.70 1.02 -1.26 -4.97 119.74 116.72 3mt1 s LYS 311 Ca 0.42 -1.28 -0.38 0.00 0.02 0.00 0.00 55.97 54.75 3mt1 s LYS 311 Cb -0.24 -1.74 -0.16 0.00 -0.52 0.00 0.00 37.83 35.16 3mt1 s LYS 311 CO 0.30 0.41 1.55 0.28 -0.92 0.00 0.00 175.35 176.97 3mt1 n VAL 312 N 1.02 0.16 0.00 3.17 0.31 -1.26 -1.55 118.33 120.17 3mt1 n VAL 312 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 3mt1 n VAL 312 Cb 0.53 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3mt1 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mt1 n GLY 313 N 3.37 1.88 3.78 2.92 0.00 -0.14 -4.99 105.19 112.01 3mt1 n GLY 313 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3mt1 n GLY 313 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mt1 s ASP 314 N -1.73 6.80 -0.17 1.61 1.01 -0.60 -4.68 116.67 118.92 3mt1 s ASP 314 Ca 0.00 2.04 -0.08 0.00 0.71 0.00 0.00 52.55 55.22 3mt1 s ASP 314 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 3mt1 s ASP 314 CO 0.00 -0.46 0.10 -0.60 0.21 0.00 0.00 175.17 174.42 3mt1 s ARG 315 N -2.43 3.85 -0.05 8.23 6.06 -1.26 -0.18 118.95 133.17 3mt1 s ARG 315 Ca 0.57 -0.26 0.04 0.00 -2.50 0.00 0.00 55.73 53.58 3mt1 s ARG 315 Cb -0.22 -3.24 -0.00 0.00 0.06 0.00 0.00 34.95 31.54 3mt1 s ARG 315 CO 0.28 0.43 -0.18 0.42 -2.50 0.00 0.00 175.30 173.76 3mt1 s ILE 316 N -0.06 1.49 -0.35 4.11 1.01 0.12 -4.99 121.20 122.54 3mt1 s ILE 316 Ca 0.08 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 3mt1 s ILE 316 Cb -0.12 -1.29 0.05 0.00 0.01 0.00 0.00 42.46 41.12 3mt1 s ILE 316 CO 0.00 0.43 0.11 -0.44 0.00 0.00 0.00 174.94 175.05 3mt1 s SER 317 N 0.08 5.28 0.03 3.58 0.01 -1.26 -0.13 113.70 121.29 3mt1 s SER 317 Ca -0.05 -1.27 -0.30 0.00 1.31 0.00 0.00 55.95 55.63 3mt1 s SER 317 Cb -0.12 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 3mt1 s SER 317 CO 0.03 -0.36 1.14 -0.36 0.41 0.00 0.00 173.24 174.11 3mt1 s PHE 318 N 1.36 3.47 0.53 2.43 0.08 -0.04 -4.64 117.98 121.17 3mt1 s PHE 318 Ca -0.01 1.39 -0.07 0.00 0.12 0.00 0.00 56.93 58.36 3mt1 s PHE 318 Cb -0.20 -3.35 -0.03 0.00 -0.57 0.00 0.00 43.02 38.87 3mt1 s PHE 318 CO 0.02 -0.96 0.86 -0.65 -0.10 0.00 0.00 175.22 174.39 3mt1 s GLN 319 N 1.17 3.50 -1.24 0.44 -1.52 0.34 -0.90 119.66 121.45 3mt1 s GLN 319 Ca 0.57 0.33 -0.19 0.00 -1.95 0.00 0.00 55.36 54.12 3mt1 s GLN 319 Cb -0.27 -2.28 0.01 0.00 -0.22 0.00 0.00 33.01 30.25 3mt1 s GLN 319 CO 0.28 -0.35 0.64 -3.47 -0.25 0.00 0.00 175.29 172.13 3mt1 n ASP 320 N -2.43 -3.57 -1.34 5.90 2.03 -0.94 -4.50 116.55 111.70 3mt1 n ASP 320 Ca 0.02 -1.11 0.08 0.00 0.52 0.00 0.00 54.79 54.30 3mt1 n ASP 320 Cb 0.55 -2.72 0.32 0.00 -0.72 0.00 0.00 41.12 38.55 3mt1 n ASP 320 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mt1 n ALA 321 N -4.50 3.17 0.08 -1.67 0.00 0.11 -4.66 120.51 113.03 3mt1 n ALA 321 Ca -0.16 -1.87 -0.17 0.00 0.00 0.00 0.00 53.44 51.24 3mt1 n ALA 321 Cb 0.61 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 3mt1 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mt1 h ALA 322 N 3.11 0.21 -2.62 0.00 0.00 -1.84 -3.42 119.26 114.70 3mt1 h ALA 322 Ca 0.00 -1.06 -0.54 0.00 0.00 0.00 0.00 54.91 53.31 3mt1 h ALA 322 Cb 1.51 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3mt1 h ALA 322 CO 0.27 1.08 0.21 0.20 0.00 0.00 0.00 179.25 181.01 3mt1 s GLY 323 N -4.89 2.82 -1.94 0.00 0.00 -1.26 -3.98 107.32 98.06 3mt1 s GLY 323 Ca -0.08 0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3mt1 s GLY 323 CO 0.86 1.24 0.00 -1.72 0.00 0.00 0.00 173.10 173.48 3mt1 n TYR 324 N 3.07 -0.52 -0.00 1.90 4.01 0.40 -5.03 117.16 120.99 3mt1 n TYR 324 Ca -0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.78 3mt1 n TYR 324 Cb 0.50 -3.63 0.10 0.00 -0.31 0.00 0.00 39.34 36.00 3mt1 n TYR 324 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3mt1 n THR 325 N -3.11 0.73 0.00 -0.72 -2.24 -1.26 -4.37 114.28 103.31 3mt1 n THR 325 Ca -0.22 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 3mt1 n THR 325 Cb 0.67 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 3mt1 n THR 325 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3mt1 n VAL 327 N 0.38 0.00 -1.71 2.28 0.24 -1.26 -2.64 118.33 115.62 3mt1 n VAL 327 Ca 0.08 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.40 3mt1 n VAL 327 Cb 0.35 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3mt1 n VAL 327 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3mt1 n LYS 328 N 0.05 0.25 -2.21 7.34 2.85 -1.26 -5.07 118.16 120.11 3mt1 n LYS 328 Ca 0.00 -1.19 -0.35 0.00 -1.05 0.00 0.00 58.31 55.72 3mt1 n LYS 328 Cb 0.00 -0.66 0.01 0.00 -0.65 0.00 0.00 35.03 33.73 3mt1 n LYS 328 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3mt1 s LYS 329 N -0.44 3.31 0.33 -1.58 -2.85 -1.08 -4.85 119.74 112.58 3mt1 s LYS 329 Ca 0.05 1.67 0.01 0.00 -1.00 0.00 0.00 55.97 56.70 3mt1 s LYS 329 Cb 0.04 -2.02 -0.01 0.00 -2.06 0.00 0.00 37.83 33.78 3mt1 s LYS 329 CO 0.00 -0.90 0.40 0.54 0.10 0.00 0.00 175.35 175.50 3mt1 s ASN 330 N -1.69 1.12 -0.33 0.03 2.20 -0.53 -5.03 114.94 110.70 3mt1 s ASN 330 Ca 0.73 -1.56 0.10 0.00 -0.94 0.00 0.00 52.86 51.18 3mt1 s ASN 330 Cb -0.26 0.62 0.74 0.00 -2.00 0.00 0.00 41.25 40.36 3mt1 s ASN 330 CO 0.29 -1.21 1.82 0.79 -2.94 0.00 0.00 177.10 175.85 3mt1 n TRP 331 N -0.57 2.49 -1.59 1.54 7.02 -1.26 -4.73 117.44 120.35 3mt1 n TRP 331 Ca 0.03 -1.25 -0.52 0.00 -1.02 0.00 0.00 57.50 54.74 3mt1 n TRP 331 Cb 0.62 -0.71 -0.06 0.00 -2.42 0.00 0.00 31.31 28.74 3mt1 n TRP 331 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3mt1 n PHE 332 N -0.23 1.51 -0.75 -5.99 7.35 -1.26 0.01 117.46 118.10 3mt1 n PHE 332 Ca 0.42 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.75 3mt1 n PHE 332 Cb 1.41 -2.33 0.00 0.00 0.35 0.00 0.00 39.48 38.91 3mt1 n PHE 332 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3mt1 n ASN 333 N 2.54 -0.75 -0.25 -2.13 4.13 -1.26 -2.37 115.26 115.17 3mt1 n ASN 333 Ca 0.18 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.41 3mt1 n ASN 333 Cb 0.19 -1.61 -0.01 0.00 -1.54 0.00 0.00 39.78 36.80 3mt1 n ASN 333 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3mt1 n GLY 334 N -1.78 0.43 3.69 7.41 0.00 0.10 -4.99 105.19 110.05 3mt1 n GLY 334 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3mt1 n GLY 334 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mt1 n VAL 335 N -2.31 3.25 0.00 1.61 0.24 -1.00 -5.09 118.33 115.03 3mt1 n VAL 335 Ca -0.03 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 3mt1 n VAL 335 Cb 0.40 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.30 3mt1 n VAL 335 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3mt1 n LYS 336 N -0.55 2.13 -5.07 7.34 4.81 -1.26 -4.85 118.16 120.71 3mt1 n LYS 336 Ca 0.10 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.23 3mt1 n LYS 336 Cb 0.43 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.33 3mt1 n LYS 336 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3mt1 s PRO 338 N 0.00 2.11 0.85 1.64 0.02 -1.26 -4.91 135.00 133.44 3mt1 s PRO 338 Ca 0.00 -0.93 -0.12 0.00 0.02 0.00 0.00 61.00 59.97 3mt1 s PRO 338 Cb 0.00 -2.10 0.11 0.00 0.02 0.00 0.00 34.50 32.53 3mt1 s PRO 338 CO 0.00 0.56 1.17 0.00 -0.33 0.00 0.00 177.00 178.40 3mt1 s ALA 339 N -0.71 1.70 -0.21 -1.55 0.00 -1.01 -4.73 121.76 115.25 3mt1 s ALA 339 Ca 0.11 0.69 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 3mt1 s ALA 339 Cb -0.10 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3mt1 s ALA 339 CO 0.01 -2.47 0.03 0.42 0.00 0.00 0.00 175.76 173.75 3mt1 s ILE 340 N -2.43 4.19 0.04 0.00 1.01 -0.12 -1.34 121.20 122.55 3mt1 s ILE 340 Ca 0.69 -0.23 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 3mt1 s ILE 340 Cb -0.25 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 3mt1 s ILE 340 CO 0.54 0.41 -0.03 0.00 0.00 0.00 0.00 174.94 175.86 3mt1 s ALA 341 N 1.02 0.32 -0.11 9.38 0.00 -0.16 -0.69 121.76 131.51 3mt1 s ALA 341 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3mt1 s ALA 341 Cb -0.14 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.18 3mt1 s ALA 341 CO 0.02 -0.26 -0.21 0.42 0.00 0.00 0.00 175.76 175.73 3mt1 s ILE 342 N -2.61 2.27 -0.41 0.00 1.01 -0.58 0.72 121.20 121.60 3mt1 s ILE 342 Ca -0.05 -0.94 -0.27 0.00 0.00 0.00 0.00 60.65 59.39 3mt1 s ILE 342 Cb -0.02 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.58 3mt1 s ILE 342 CO -0.05 0.55 1.01 -0.60 0.00 0.00 0.00 174.94 175.85 3mt1 s ARG 343 N 0.44 3.80 0.93 2.79 3.52 0.66 -0.88 118.95 130.21 3mt1 s ARG 343 Ca -0.15 0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 55.91 3mt1 s ARG 343 Cb -0.17 -3.84 0.20 0.00 -1.56 0.00 0.00 34.95 29.58 3mt1 s ARG 343 CO 0.06 -1.11 1.28 -1.21 -0.81 0.00 0.00 175.30 173.51 3mt1 s GLU 344 N 3.83 0.67 0.06 5.12 0.41 0.37 -1.01 118.70 128.15 3mt1 s GLU 344 Ca 0.42 -0.65 -0.27 0.00 -0.41 0.00 0.00 54.97 54.07 3mt1 s GLU 344 Cb -0.10 -1.93 -0.17 0.00 -1.78 0.00 0.00 34.13 30.14 3mt1 s GLU 344 CO 0.23 -2.33 1.58 -0.07 -0.49 0.00 0.00 175.26 174.18 3mt1 h LEU 345 N -1.49 -0.30 0.00 1.80 3.38 -1.97 0.16 115.31 116.89 3mt1 h LEU 345 Ca -0.42 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3mt1 h LEU 345 Cb 1.23 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3mt1 h LEU 345 CO 0.34 -0.13 0.00 -0.67 0.09 0.00 0.00 178.44 178.07 3mt1 n ASP 346 N -5.20 0.00 0.00 -0.43 2.03 -1.26 -4.83 116.55 106.86 3mt1 n ASP 346 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 3mt1 n ASP 346 Cb 0.19 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 3mt1 n ASP 346 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mt1 n GLY 347 N -0.73 1.57 3.73 0.27 0.00 0.57 -5.06 105.19 105.54 3mt1 n GLY 347 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3mt1 n GLY 347 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mt1 s SER 348 N -1.78 4.61 -0.24 1.61 1.04 -1.26 -4.67 113.70 113.00 3mt1 s SER 348 Ca 0.00 2.51 -0.09 0.00 0.48 0.00 0.00 55.95 58.85 3mt1 s SER 348 Cb 0.00 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.47 3mt1 s SER 348 CO 0.00 -2.00 0.12 0.68 0.98 0.00 0.00 173.24 173.03 3mt1 s VAL 349 N -1.59 4.91 -0.14 5.02 -7.23 -1.26 -0.48 120.40 119.64 3mt1 s VAL 349 Ca 0.79 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.88 3mt1 s VAL 349 Cb -0.34 -3.29 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 3mt1 s VAL 349 CO 0.40 0.34 0.23 -0.60 -0.31 0.00 0.00 175.10 175.15 3mt1 s ARG 350 N 1.29 3.96 -0.25 4.82 3.52 -0.06 -4.94 118.95 127.28 3mt1 s ARG 350 Ca 0.06 -0.00 -0.17 0.00 -0.13 0.00 0.00 55.73 55.49 3mt1 s ARG 350 Cb -0.14 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 3mt1 s ARG 350 CO 0.05 0.47 0.45 0.99 -0.81 0.00 0.00 175.30 176.45 3mt1 s THR 351 N -0.21 5.13 -0.17 4.11 2.01 -1.26 -1.52 115.64 123.72 3mt1 s THR 351 Ca 0.15 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.68 3mt1 s THR 351 Cb -0.13 -3.77 -0.22 0.00 0.01 0.00 0.00 72.50 68.39 3mt1 s THR 351 CO 0.04 0.14 0.41 0.58 -0.69 0.00 0.00 174.62 175.10 3mt1 h VAL 352 N 5.31 1.13 -2.89 3.82 2.07 -1.28 -3.48 116.25 120.93 3mt1 h VAL 352 Ca -0.31 -2.26 -0.17 0.00 0.82 0.00 0.00 66.70 64.77 3mt1 h VAL 352 Cb 1.15 2.59 -0.29 0.00 -1.52 0.00 0.00 31.29 33.22 3mt1 h VAL 352 CO 0.69 0.47 -0.43 -0.60 0.02 0.00 0.00 177.57 177.72 3mt1 s ARG 353 N -2.36 0.25 -0.09 1.57 6.06 -1.10 -5.00 118.95 118.28 3mt1 s ARG 353 Ca -0.25 0.64 0.03 0.00 -2.50 0.00 0.00 55.73 53.65 3mt1 s ARG 353 Cb 0.04 -0.07 -0.01 0.00 0.06 0.00 0.00 34.95 34.96 3mt1 s ARG 353 CO 0.65 -0.18 -0.19 -2.00 -2.50 0.00 0.00 175.30 171.09 3mt1 s GLU 354 N 1.45 2.92 -0.17 5.12 2.12 -1.26 -0.94 118.70 127.94 3mt1 s GLU 354 Ca -0.08 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.34 3mt1 s GLU 354 Cb -0.10 -2.39 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 3mt1 s GLU 354 CO -0.10 0.33 0.22 -0.06 -0.54 0.00 0.00 175.26 175.11 3mt1 s PHE 355 N 0.00 3.45 0.46 5.30 0.40 -1.26 -5.06 117.98 121.28 3mt1 s PHE 355 Ca -0.06 0.49 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 3mt1 s PHE 355 Cb -0.15 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 3mt1 s PHE 355 CO 0.05 0.29 0.02 0.95 0.70 0.00 0.00 175.22 177.23 3mt1 s THR 356 N 0.32 1.58 0.26 0.64 -4.23 -1.26 -5.00 115.64 107.96 3mt1 s THR 356 Ca 0.13 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3mt1 s THR 356 Cb -0.12 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.41 3mt1 s THR 356 CO 0.02 0.00 1.72 0.22 -0.54 0.00 0.00 174.62 176.03 3mt1 h TYR 357 N 1.53 0.56 -0.22 3.99 3.20 -1.99 -0.80 116.97 123.23 3mt1 h TYR 357 Ca -0.44 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.43 3mt1 h TYR 357 Cb 1.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3mt1 h TYR 357 CO 1.13 0.02 -0.03 0.00 -1.64 0.00 0.00 178.16 177.64 3mt1 h ALA 358 N 1.62 1.55 0.21 1.82 0.00 -1.98 0.34 119.26 122.83 3mt1 h ALA 358 Ca 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3mt1 h ALA 358 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3mt1 h ALA 358 CO -0.46 0.33 -0.10 -0.44 0.00 0.00 0.00 179.25 178.57 3mt1 h ASP 359 N 0.32 -0.24 -0.18 0.00 3.32 -1.55 -1.43 116.42 116.66 3mt1 h ASP 359 Ca 0.07 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.09 3mt1 h ASP 359 Cb 0.26 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 3mt1 h ASP 359 CO 0.01 -0.07 -0.18 0.22 -1.72 0.00 0.00 179.24 177.50 3mt1 h TYR 360 N -0.40 -0.45 -0.57 4.55 3.20 -0.76 -1.96 116.97 120.56 3mt1 h TYR 360 Ca -0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3mt1 h TYR 360 Cb 0.31 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 3mt1 h TYR 360 CO -0.03 -0.25 0.27 1.49 -1.64 0.00 0.00 178.16 178.00 3mt1 h GLU 361 N -0.20 0.83 0.00 1.82 4.81 -0.36 -1.61 114.58 119.87 3mt1 h GLU 361 Ca 0.11 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3mt1 h GLU 361 Cb 0.37 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.60 3mt1 h GLU 361 CO -0.30 0.68 0.00 1.96 -0.73 0.00 0.00 179.01 180.63 3mt1 h GLN 362 N 0.78 0.00 -0.00 1.92 4.20 -1.07 -2.41 115.11 118.52 3mt1 h GLN 362 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3mt1 h GLN 362 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3mt1 h GLN 362 CO -0.02 0.00 -0.09 -1.13 -0.67 0.00 0.00 178.83 176.92 3mt1 n SER 363 N -2.44 0.14 -0.00 1.46 3.41 -0.61 -4.16 113.62 111.42 3mt1 n SER 363 Ca 0.01 0.11 0.06 0.00 -0.26 0.00 0.00 58.87 58.79 3mt1 n SER 363 Cb 0.23 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.82 3mt1 n SER 363 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mt1 n LEU 364 N -1.38 0.30 0.00 1.04 4.77 -0.91 -5.12 117.00 115.70 3mt1 n LEU 364 Ca 0.09 -0.27 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3mt1 n LEU 364 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3mt1 n LEU 364 CO 0.27 0.07 0.00 -1.20 -1.33 0.00 0.00 177.39 175.20