#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtj s GLN -1 N 0.00 3.18 0.00 -1.08 -1.52 -1.26 -4.85 119.66 114.13 3mtj s GLN -1 Ca 0.00 0.93 0.00 0.00 -1.95 0.00 0.00 55.36 54.34 3mtj s GLN -1 Cb 0.00 -2.02 0.00 0.00 -0.22 0.00 0.00 33.01 30.77 3mtj s GLN -1 CO 0.00 -0.91 0.00 0.41 -0.25 0.00 0.00 175.29 174.54 3mtj n GLY 0 N -2.06 0.59 0.00 3.09 0.00 -1.26 -5.09 105.19 100.46 3mtj n GLY 0 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3mtj n GLY 0 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mtj n LYS 2 N -0.67 0.00 -1.86 1.61 2.85 -1.26 -4.55 118.16 114.29 3mtj n LYS 2 Ca 0.00 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 3mtj n LYS 2 Cb 0.38 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.81 3mtj n LYS 2 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 3mtj s PRO 3 N 0.00 2.93 0.12 -1.58 0.02 -1.26 -4.60 135.00 130.63 3mtj s PRO 3 Ca 0.00 2.05 -0.22 0.00 0.02 0.00 0.00 61.00 62.85 3mtj s PRO 3 Cb 0.00 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 3mtj s PRO 3 CO 0.00 -1.30 0.67 -1.50 -0.33 0.00 0.00 177.00 174.54 3mtj s ILE 4 N -1.42 4.56 -0.21 2.83 2.07 -0.06 -4.96 121.20 124.02 3mtj s ILE 4 Ca 0.76 1.44 -0.06 0.00 -1.41 0.00 0.00 60.65 61.39 3mtj s ILE 4 Cb -0.36 -4.01 -0.03 0.00 0.13 0.00 0.00 42.46 38.19 3mtj s ILE 4 CO 0.40 0.53 0.02 -1.00 -1.91 0.00 0.00 174.94 172.99 3mtj s HIS 5 N -1.14 3.07 -0.06 3.50 3.76 -1.26 -1.13 115.29 122.03 3mtj s HIS 5 Ca 0.32 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 3mtj s HIS 5 Cb -0.21 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 3mtj s HIS 5 CO 0.22 -0.25 -0.11 0.08 -0.85 0.00 0.00 174.74 173.84 3mtj s VAL 6 N 1.12 3.38 0.05 -0.90 1.01 0.27 -0.57 120.40 124.75 3mtj s VAL 6 Ca 0.03 -0.60 0.08 0.00 0.00 0.00 0.00 61.98 61.49 3mtj s VAL 6 Cb -0.14 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3mtj s VAL 6 CO 0.02 0.59 -0.22 -0.83 0.00 0.00 0.00 175.10 174.66 3mtj s GLY 7 N -0.73 1.19 -0.09 4.51 0.00 -0.08 -0.50 107.32 111.62 3mtj s GLY 7 Ca 0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 44.72 43.69 3mtj s GLY 7 CO 0.01 -1.03 0.03 1.08 0.00 0.00 0.00 173.10 173.19 3mtj s LEU 8 N -1.21 3.72 -0.26 0.66 1.43 -0.70 -0.09 118.68 122.23 3mtj s LEU 8 Ca 0.08 0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3mtj s LEU 8 Cb -0.09 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3mtj s LEU 8 CO 0.02 0.38 0.06 -0.76 0.23 0.00 0.00 176.35 176.27 3mtj s LEU 9 N -0.86 3.50 0.00 1.79 1.43 0.29 -0.37 118.68 124.45 3mtj s LEU 9 Ca 0.13 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3mtj s LEU 9 Cb -0.11 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3mtj s LEU 9 CO 0.03 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3mtj n GLY 10 N 4.89 -2.42 0.00 -3.19 0.00 0.47 -0.36 105.19 104.58 3mtj n GLY 10 Ca -0.16 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3mtj n GLY 10 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mtj n LEU 11 N -1.79 0.00 0.00 0.99 7.94 -1.26 -4.73 117.00 118.14 3mtj n LEU 11 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3mtj n LEU 11 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3mtj n LEU 11 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3mtj n GLY 12 N 2.65 0.45 0.13 -3.96 0.00 -1.26 -0.47 105.19 102.73 3mtj n GLY 12 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 3mtj n GLY 12 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3mtj h THR 13 N 0.00 0.78 -0.27 2.61 2.02 -1.99 -1.23 112.91 114.84 3mtj h THR 13 Ca 0.00 -0.03 -0.09 0.00 0.77 0.00 0.00 66.41 67.06 3mtj h THR 13 Cb 0.00 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3mtj h THR 13 CO 0.00 0.02 -0.17 0.58 0.37 0.00 0.00 175.52 176.31 3mtj h VAL 14 N 0.08 1.30 -0.05 3.16 2.07 -1.83 -1.06 116.25 119.92 3mtj h VAL 14 Ca 0.14 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.39 3mtj h VAL 14 Cb 0.19 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3mtj h VAL 14 CO -0.24 0.41 -0.07 1.23 0.02 0.00 0.00 177.57 178.91 3mtj h GLY 15 N 0.32 -0.04 0.47 2.17 0.00 -0.68 0.15 103.07 105.47 3mtj h GLY 15 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.53 3mtj h GLY 15 CO 0.05 -0.08 -0.07 -1.33 0.00 0.00 0.00 176.54 175.10 3mtj h GLY 16 N -0.11 0.17 -0.05 4.60 0.00 -1.20 -1.61 103.07 104.87 3mtj h GLY 16 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 47.33 47.61 3mtj h GLY 16 CO -0.11 -0.10 0.07 -1.33 0.00 0.00 0.00 176.54 175.06 3mtj h GLY 17 N -0.02 0.79 1.00 4.60 0.00 -0.89 -1.54 103.07 107.02 3mtj h GLY 17 Ca 0.12 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3mtj h GLY 17 CO -0.27 -0.19 0.33 -0.84 0.00 0.00 0.00 176.54 175.57 3mtj h THR 18 N 0.18 1.13 -0.11 4.70 2.02 -0.10 0.18 112.91 120.92 3mtj h THR 18 Ca 0.35 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3mtj h THR 18 Cb 0.58 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3mtj h THR 18 CO -0.51 0.13 0.05 -0.07 0.37 0.00 0.00 175.52 175.49 3mtj h LEU 19 N 0.69 0.14 -0.51 2.58 3.38 -1.01 -1.52 115.31 119.06 3mtj h LEU 19 Ca 0.19 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3mtj h LEU 19 Cb -0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3mtj h LEU 19 CO -0.04 0.22 0.21 0.74 0.09 0.00 0.00 178.44 179.66 3mtj h THR 20 N 0.05 0.87 -0.33 0.22 2.02 -1.06 -1.95 112.91 112.73 3mtj h THR 20 Ca 0.04 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 3mtj h THR 20 Cb 0.12 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 3mtj h THR 20 CO -0.00 0.07 -0.17 0.58 0.37 0.00 0.00 175.52 176.37 3mtj h VAL 21 N 0.41 1.29 -0.62 3.16 2.07 -0.47 -0.82 116.25 121.26 3mtj h VAL 21 Ca 0.24 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3mtj h VAL 21 Cb 0.23 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3mtj h VAL 21 CO -0.22 0.42 0.37 -0.07 0.02 0.00 0.00 177.57 178.08 3mtj h LEU 22 N 0.48 0.57 0.00 2.57 3.38 -1.21 -0.99 115.31 120.11 3mtj h LEU 22 Ca 0.07 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mtj h LEU 22 Cb 0.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3mtj h LEU 22 CO 0.05 0.39 -0.00 0.03 0.09 0.00 0.00 178.44 179.00 3mtj h ARG 23 N 0.70 -0.01 -0.58 1.13 3.08 -1.19 -1.98 114.38 115.54 3mtj h ARG 23 Ca 0.26 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 3mtj h ARG 23 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3mtj h ARG 23 CO -0.13 0.40 0.08 -0.09 -1.07 0.00 0.00 179.97 179.16 3mtj h ARG 24 N -0.42 0.94 -0.56 0.04 2.43 -1.06 -2.88 114.38 112.87 3mtj h ARG 24 Ca -0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3mtj h ARG 24 Cb 0.41 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3mtj h ARG 24 CO 0.00 0.88 0.00 0.09 -1.51 0.00 0.00 179.97 179.43 3mtj n ASN 25 N -4.23 4.16 -0.27 -3.80 4.13 -0.38 -4.74 115.26 110.13 3mtj n ASN 25 Ca 0.04 -2.34 0.14 0.00 1.68 0.00 0.00 54.58 54.10 3mtj n ASN 25 Cb 0.28 -0.49 0.27 0.00 -1.54 0.00 0.00 39.78 38.30 3mtj n ASN 25 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3mtj n ALA 26 N 0.92 0.48 0.38 5.41 0.00 -0.74 -1.85 120.51 125.11 3mtj n ALA 26 Ca 0.22 0.85 -0.18 0.00 0.00 0.00 0.00 53.44 54.33 3mtj n ALA 26 Cb 0.75 -0.66 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 3mtj n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3mtj h GLU 27 N 0.00 -0.93 -0.81 0.00 4.81 -1.86 -1.32 114.58 114.48 3mtj h GLU 27 Ca 0.52 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 3mtj h GLU 27 Cb 1.13 0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 3mtj h GLU 27 CO -0.73 -0.62 0.46 1.49 -0.73 0.00 0.00 179.01 178.88 3mtj h GLU 28 N -0.96 1.12 -0.11 1.92 4.81 -1.76 -1.65 114.58 117.95 3mtj h GLU 28 Ca -0.09 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3mtj h GLU 28 Cb 0.74 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3mtj h GLU 28 CO 0.15 0.82 0.07 0.82 -0.73 0.00 0.00 179.01 180.14 3mtj h ILE 29 N 1.12 1.05 -0.33 2.32 2.04 -1.31 -1.45 117.51 120.95 3mtj h ILE 29 Ca 0.29 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3mtj h ILE 29 Cb 0.01 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3mtj h ILE 29 CO -0.05 0.05 0.19 0.74 0.00 0.00 0.00 178.15 179.08 3mtj h THR 30 N 0.13 1.13 -0.31 -0.27 2.02 -1.20 0.55 112.91 114.96 3mtj h THR 30 Ca 0.04 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.96 3mtj h THR 30 Cb 0.01 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3mtj h THR 30 CO -0.01 0.13 -0.22 0.03 0.37 0.00 0.00 175.52 175.82 3mtj h ARG 31 N 0.42 -0.19 -0.11 6.66 3.08 -1.11 -0.14 114.38 122.99 3mtj h ARG 31 Ca 0.12 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 3mtj h ARG 31 Cb 0.04 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3mtj h ARG 31 CO -0.02 -0.12 -0.51 -0.09 -1.07 0.00 0.00 179.97 178.15 3mtj h ARG 32 N -0.19 0.55 0.00 0.04 9.65 -1.12 -3.22 114.38 120.08 3mtj h ARG 32 Ca 0.16 -0.44 -0.06 0.00 -1.10 0.00 0.00 59.98 58.54 3mtj h ARG 32 Cb 0.44 0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3mtj h ARG 32 CO -0.42 1.06 -0.28 0.00 2.80 0.00 0.00 179.97 183.14 3mtj h ALA 33 N 0.49 1.40 0.00 2.80 0.00 -0.85 -3.47 119.26 119.62 3mtj h ALA 33 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3mtj h ALA 33 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3mtj h ALA 33 CO 0.11 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.11 3mtj n GLY 34 N -0.57 0.84 3.56 0.00 0.00 -0.07 -4.37 105.19 104.59 3mtj n GLY 34 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 3mtj n GLY 34 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mtj s ARG 35 N -0.34 0.86 0.40 1.61 1.70 -1.20 -4.03 118.95 117.95 3mtj s ARG 35 Ca 0.00 -0.36 -0.26 0.00 -0.47 0.00 0.00 55.73 54.64 3mtj s ARG 35 Cb 0.00 0.37 -0.09 0.00 -0.57 0.00 0.00 34.95 34.66 3mtj s ARG 35 CO 0.00 -0.38 1.23 -2.00 -1.08 0.00 0.00 175.30 173.07 3mtj s GLU 36 N -3.11 4.03 -0.29 3.89 2.12 -1.26 -4.47 118.70 119.60 3mtj s GLU 36 Ca 0.07 2.00 -0.05 0.00 0.36 0.00 0.00 54.97 57.34 3mtj s GLU 36 Cb -0.01 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.67 3mtj s GLU 36 CO -0.07 -0.39 0.05 0.42 -0.54 0.00 0.00 175.26 174.73 3mtj s ILE 37 N -1.33 3.62 -0.17 -3.70 1.01 -1.26 -0.88 121.20 118.49 3mtj s ILE 37 Ca 0.57 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3mtj s ILE 37 Cb -0.34 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.23 3mtj s ILE 37 CO 0.44 0.04 -0.18 -0.13 0.00 0.00 0.00 174.94 175.10 3mtj s ARG 38 N 1.42 2.78 -0.19 2.79 1.81 -0.28 -4.98 118.95 122.30 3mtj s ARG 38 Ca 0.01 -0.77 -0.29 0.00 -1.72 0.00 0.00 55.73 52.96 3mtj s ARG 38 Cb -0.18 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 3mtj s ARG 38 CO 0.01 -0.23 1.00 0.08 -0.68 0.00 0.00 175.30 175.48 3mtj s VAL 39 N 1.34 4.74 -0.14 3.52 1.01 -1.26 -0.56 120.40 129.05 3mtj s VAL 39 Ca 0.05 1.97 -0.12 0.00 0.00 0.00 0.00 61.98 63.88 3mtj s VAL 39 Cb -0.13 -4.28 -0.25 0.00 0.00 0.00 0.00 36.38 31.72 3mtj s VAL 39 CO -0.12 -0.10 0.36 0.58 0.00 0.00 0.00 175.10 175.82 3mtj h VAL 40 N 5.33 0.76 -2.20 2.92 2.07 -1.16 -3.47 116.25 120.50 3mtj h VAL 40 Ca -0.23 -2.31 0.18 0.00 0.82 0.00 0.00 66.70 65.15 3mtj h VAL 40 Cb 1.09 2.47 -0.10 0.00 -1.52 0.00 0.00 31.29 33.23 3mtj h VAL 40 CO 0.93 0.73 0.54 0.00 0.02 0.00 0.00 177.57 179.78 3mtj s ARG 41 N -2.50 0.99 -0.06 1.57 1.70 -1.26 -4.41 118.95 114.98 3mtj s ARG 41 Ca -0.23 -0.51 0.03 0.00 -0.47 0.00 0.00 55.73 54.54 3mtj s ARG 41 Cb 0.06 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.81 3mtj s ARG 41 CO 0.73 -0.45 -0.14 0.00 -1.08 0.00 0.00 175.30 174.36 3mtj s ALA 42 N -3.12 1.38 -0.20 7.88 0.00 -0.74 -1.71 121.76 125.24 3mtj s ALA 42 Ca 0.11 -0.51 -0.24 0.00 0.00 0.00 0.00 51.96 51.31 3mtj s ALA 42 Cb -0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3mtj s ALA 42 CO -0.01 0.16 0.80 0.00 0.00 0.00 0.00 175.76 176.70 3mtj s ALA 43 N 0.52 3.56 0.06 0.00 0.00 0.50 -1.83 121.76 124.56 3mtj s ALA 43 Ca -0.13 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3mtj s ALA 43 Cb -0.15 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3mtj s ALA 43 CO 0.04 -0.72 -0.10 0.14 0.00 0.00 0.00 175.76 175.12 3mtj s VAL 44 N 2.32 0.75 -0.01 0.00 -7.23 0.13 -0.39 120.40 115.97 3mtj s VAL 44 Ca 0.36 -1.19 -0.21 0.00 -1.81 0.00 0.00 61.98 59.12 3mtj s VAL 44 Cb -0.16 -0.81 -0.24 0.00 0.56 0.00 0.00 36.38 35.73 3mtj s VAL 44 CO 0.10 -0.35 1.07 0.03 -0.31 0.00 0.00 175.10 175.65 3mtj h ARG 45 N 4.36 0.34 -4.67 4.82 3.08 -1.89 -3.35 114.38 117.07 3mtj h ARG 45 Ca -0.38 -0.37 -0.70 0.00 0.07 0.00 0.00 59.98 58.61 3mtj h ARG 45 Cb 1.20 0.11 -0.27 0.00 0.08 0.00 0.00 29.97 31.09 3mtj h ARG 45 CO 0.41 1.06 -0.58 1.21 -1.07 0.00 0.00 179.97 181.00 3mtj s ASN 46 N -6.63 5.43 0.13 7.04 3.84 -1.26 -4.98 114.94 118.51 3mtj s ASN 46 Ca -0.14 -0.99 -0.11 0.00 0.21 0.00 0.00 52.86 51.83 3mtj s ASN 46 Cb 0.03 -1.93 -0.07 0.00 -0.55 0.00 0.00 41.25 38.73 3mtj s ASN 46 CO 0.80 -0.32 1.42 -0.07 -2.79 0.00 0.00 177.10 176.15 3mtj h LEU 47 N 8.30 0.98 0.01 3.21 3.38 -1.97 -2.66 115.31 126.55 3mtj h LEU 47 Ca -0.26 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.20 3mtj h LEU 47 Cb 1.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3mtj h LEU 47 CO 0.62 1.31 -0.00 0.44 0.09 0.00 0.00 178.44 180.90 3mtj h ASP 48 N 0.69 -0.01 0.15 -0.43 3.32 -2.00 -2.42 116.42 115.72 3mtj h ASP 48 Ca 0.02 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 3mtj h ASP 48 Cb 1.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3mtj h ASP 48 CO 0.12 0.46 -0.12 0.11 -1.72 0.00 0.00 179.24 178.09 3mtj h LYS 49 N -0.49 0.00 0.00 3.56 6.56 -2.00 -2.53 116.57 121.67 3mtj h LYS 49 Ca -0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.46 3mtj h LYS 49 Cb 0.48 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 3mtj h LYS 49 CO 0.00 0.12 -0.64 0.00 -2.06 0.00 0.00 179.45 176.87 3mtj h ALA 50 N 1.88 0.78 -0.56 3.86 0.00 -1.33 -3.32 119.26 120.57 3mtj h ALA 50 Ca -0.00 -0.58 0.09 0.00 0.00 0.00 0.00 54.91 54.42 3mtj h ALA 50 Cb 0.23 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3mtj h ALA 50 CO 0.02 0.79 0.19 0.93 0.00 0.00 0.00 179.25 181.18 3mtj h GLU 51 N 0.00 0.35 -0.02 0.00 4.39 -0.98 -1.70 114.58 116.63 3mtj h GLU 51 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3mtj h GLU 51 Cb 1.26 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3mtj h GLU 51 CO 0.08 0.23 0.02 0.00 -1.16 0.00 0.00 179.01 178.18 3mtj h ALA 52 N 1.39 1.67 -0.01 3.43 0.00 -1.70 -2.98 119.26 121.07 3mtj h ALA 52 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3mtj h ALA 52 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3mtj h ALA 52 CO -0.30 -0.02 -0.58 1.28 0.00 0.00 0.00 179.25 179.63 3mtj n LEU 53 N -4.02 1.57 0.06 0.00 4.77 -0.69 -4.62 117.00 114.06 3mtj n LEU 53 Ca -0.03 -0.68 0.09 0.00 -0.03 0.00 0.00 56.01 55.37 3mtj n LEU 53 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3mtj n LEU 53 CO 0.29 0.31 -0.28 0.00 -1.33 0.00 0.00 177.39 176.39 3mtj n ALA 54 N -0.51 2.48 -3.96 -1.18 0.00 -0.89 -4.29 120.51 112.16 3mtj n ALA 54 Ca 0.07 -0.39 -0.30 0.00 0.00 0.00 0.00 53.44 52.81 3mtj n ALA 54 Cb 0.38 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 18.89 3mtj n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtj n GLY 55 N 1.25 -0.45 2.10 0.00 0.00 -1.26 -2.46 105.19 104.38 3mtj n GLY 55 Ca -0.04 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mtj n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtj n GLY 56 N -1.64 0.61 3.75 -0.02 0.00 -1.26 -5.03 105.19 101.60 3mtj n GLY 56 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3mtj n GLY 56 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3mtj s LEU 57 N 0.00 4.42 0.37 0.99 2.96 -1.03 -4.96 118.68 121.43 3mtj s LEU 57 Ca 0.00 2.50 -0.28 0.00 -0.22 0.00 0.00 54.13 56.13 3mtj s LEU 57 Cb 0.00 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 42.95 3mtj s LEU 57 CO 0.00 -0.54 1.38 -2.65 -1.32 0.00 0.00 176.35 173.23 3mtj n PRO 58 N 2.13 2.37 -4.29 0.98 -0.02 -1.26 -4.87 135.00 130.04 3mtj n PRO 58 Ca 0.05 0.83 -0.24 0.00 -2.02 0.00 0.00 63.50 62.12 3mtj n PRO 58 Cb 0.42 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 3mtj n PRO 58 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mtj s LEU 59 N -1.57 2.31 0.02 2.45 1.43 -1.26 -1.80 118.68 120.26 3mtj s LEU 59 Ca 0.55 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3mtj s LEU 59 Cb -0.52 -0.87 0.01 0.00 0.03 0.00 0.00 46.19 44.84 3mtj s LEU 59 CO 0.63 0.04 0.20 0.28 0.23 0.00 0.00 176.35 177.73 3mtj s THR 60 N -1.26 0.09 -2.19 5.49 -1.32 -0.76 -4.95 115.64 110.74 3mtj s THR 60 Ca 0.07 -0.76 0.24 0.00 -1.21 0.00 0.00 61.69 60.03 3mtj s THR 60 Cb -0.10 -0.72 0.16 0.00 -1.51 0.00 0.00 72.50 70.34 3mtj s THR 60 CO 0.04 -0.42 1.31 0.35 -2.21 0.00 0.00 174.62 173.70 3mtj n THR 61 N 1.02 0.00 -3.55 5.08 -2.24 -1.26 -0.69 114.28 112.64 3mtj n THR 61 Ca -0.21 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3mtj n THR 61 Cb 0.57 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.69 3mtj n THR 61 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mtj s ASN 62 N -2.35 5.87 0.49 3.42 3.84 -1.26 -4.79 114.94 120.16 3mtj s ASN 62 Ca 0.24 -0.92 0.32 0.00 0.21 0.00 0.00 52.86 52.71 3mtj s ASN 62 Cb 0.19 -2.08 1.36 0.00 -0.55 0.00 0.00 41.25 40.18 3mtj s ASN 62 CO 0.49 -0.40 1.94 1.55 -2.79 0.00 0.00 177.10 177.90 3mtj h PRO 63 N 8.50 0.00 0.00 0.43 0.13 -1.94 -1.74 132.00 137.38 3mtj h PRO 63 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3mtj h PRO 63 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3mtj h PRO 63 CO 0.69 0.00 0.00 0.74 -0.23 0.00 0.00 178.00 179.20 3mtj h PHE 64 N 0.00 0.00 0.00 1.56 0.04 -1.96 -1.71 116.94 114.87 3mtj h PHE 64 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mtj h PHE 64 Cb 0.42 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.57 3mtj h PHE 64 CO 0.00 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.46 3mtj n ASP 65 N -2.40 0.30 -0.06 2.17 8.00 -0.66 -1.30 116.55 122.60 3mtj n ASP 65 Ca 0.02 0.59 -0.10 0.00 0.71 0.00 0.00 54.79 56.01 3mtj n ASP 65 Cb 0.24 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.66 3mtj n ASP 65 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3mtj n VAL 66 N -1.85 1.31 0.44 2.53 0.31 -0.72 -4.32 118.33 116.03 3mtj n VAL 66 Ca 0.02 0.10 0.13 0.00 -0.01 0.00 0.00 64.34 64.57 3mtj n VAL 66 Cb 0.13 -2.01 0.44 0.00 -0.91 0.00 0.00 33.84 31.50 3mtj n VAL 66 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3mtj h VAL 67 N -0.67 0.00 -0.02 2.52 -1.51 -1.39 -3.04 116.25 112.14 3mtj h VAL 67 Ca -0.13 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 3mtj h VAL 67 Cb 0.87 1.40 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3mtj h VAL 67 CO -0.08 0.00 -0.11 0.47 -1.23 0.00 0.00 177.57 176.63 3mtj n ASP 68 N -2.52 1.95 -4.63 4.19 8.00 -0.42 -4.58 116.55 118.54 3mtj n ASP 68 Ca 0.03 -1.47 -0.43 0.00 0.71 0.00 0.00 54.79 53.63 3mtj n ASP 68 Cb 0.36 0.17 -0.02 0.00 -0.02 0.00 0.00 41.12 41.61 3mtj n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mtj s ASP 69 N -1.40 6.54 0.57 -2.24 -1.08 -1.15 -4.88 116.67 113.03 3mtj s ASP 69 Ca 0.15 1.29 0.26 0.00 -0.52 0.00 0.00 52.55 53.74 3mtj s ASP 69 Cb 0.12 -2.54 1.64 0.00 -1.46 0.00 0.00 42.92 40.68 3mtj s ASP 69 CO 0.24 -1.18 2.18 -0.65 0.52 0.00 0.00 175.17 176.28 3mtj h PRO 70 N 9.93 0.00 0.00 4.34 0.11 -1.92 -1.80 132.00 142.66 3mtj h PRO 70 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mtj h PRO 70 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3mtj h PRO 70 CO 1.03 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.75 3mtj h GLU 71 N 0.00 0.00 -6.20 1.05 3.07 -1.96 -3.44 114.58 107.10 3mtj h GLU 71 Ca 0.04 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.34 3mtj h GLU 71 Cb 0.18 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 3mtj h GLU 71 CO -0.00 0.00 0.46 0.42 -1.40 0.00 0.00 179.01 178.48 3mtj s ILE 72 N -3.50 4.84 -0.15 3.13 1.01 -0.68 -4.60 121.20 121.25 3mtj s ILE 72 Ca 0.03 1.91 0.04 0.00 0.00 0.00 0.00 60.65 62.63 3mtj s ILE 72 Cb 0.08 -4.25 -0.23 0.00 0.01 0.00 0.00 42.46 38.06 3mtj s ILE 72 CO 0.57 0.06 0.25 0.47 0.00 0.00 0.00 174.94 176.29 3mtj n ASP 73 N 4.77 1.44 -3.96 3.58 8.00 0.26 -4.87 116.55 125.78 3mtj n ASP 73 Ca 0.07 0.14 -0.22 0.00 0.71 0.00 0.00 54.79 55.49 3mtj n ASP 73 Cb 0.49 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 41.17 3mtj n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mtj s ILE 74 N -2.55 0.81 -0.19 0.53 1.01 -1.02 -2.28 121.20 117.52 3mtj s ILE 74 Ca -0.19 -0.30 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3mtj s ILE 74 Cb 0.07 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 3mtj s ILE 74 CO 0.75 0.28 0.08 -0.69 0.00 0.00 0.00 174.94 175.36 3mtj s VAL 75 N 0.74 4.91 -0.32 2.92 1.01 0.07 -0.90 120.40 128.83 3mtj s VAL 75 Ca -0.13 0.01 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 3mtj s VAL 75 Cb -0.15 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3mtj s VAL 75 CO 0.02 0.45 0.17 -0.69 0.00 0.00 0.00 175.10 175.05 3mtj s VAL 76 N 0.41 4.72 -0.34 2.92 1.01 0.87 -0.35 120.40 129.64 3mtj s VAL 76 Ca 0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 3mtj s VAL 76 Cb -0.12 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 3mtj s VAL 76 CO -0.00 0.03 0.24 -0.70 0.00 0.00 0.00 175.10 174.68 3mtj s GLU 77 N 1.63 3.50 -0.08 2.72 -6.30 0.17 -0.55 118.70 119.78 3mtj s GLU 77 Ca 0.05 -0.64 0.13 0.00 -2.50 0.00 0.00 54.97 52.01 3mtj s GLU 77 Cb -0.17 -3.81 0.24 0.00 0.00 0.00 0.00 34.13 30.39 3mtj s GLU 77 CO 0.07 -0.45 1.12 1.28 0.02 0.00 0.00 175.26 177.30 3mtj n LEU 78 N 5.11 1.47 0.01 2.70 4.77 0.51 -2.71 117.00 128.88 3mtj n LEU 78 Ca -0.13 -2.41 -0.12 0.00 -0.03 0.00 0.00 56.01 53.32 3mtj n LEU 78 Cb 0.50 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3mtj n LEU 78 CO 0.37 0.66 0.35 0.40 -1.33 0.00 0.00 177.39 177.83 3mtj h ILE 79 N 3.42 1.33 -1.13 -0.08 2.04 -1.88 -3.43 117.51 117.78 3mtj h ILE 79 Ca -0.03 -2.01 0.13 0.00 1.00 0.00 0.00 64.86 63.95 3mtj h ILE 79 Cb 1.26 1.99 -0.04 0.00 -0.74 0.00 0.00 36.82 39.29 3mtj h ILE 79 CO 0.02 0.62 -0.25 0.61 0.00 0.00 0.00 178.15 179.15 3mtj n GLY 80 N 0.55 -1.83 0.63 5.37 0.00 -1.26 -5.05 105.19 103.60 3mtj n GLY 80 Ca -0.05 -1.39 0.08 0.00 0.00 0.00 0.00 46.02 44.67 3mtj n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtj n GLY 81 N -2.61 -1.80 0.11 -0.02 0.00 -1.26 -4.63 105.19 94.97 3mtj n GLY 81 Ca -0.00 -1.35 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 3mtj n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mtj n LEU 82 N -2.74 1.89 -4.31 0.99 4.77 -1.26 -4.40 117.00 111.94 3mtj n LEU 82 Ca -0.00 0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 56.08 3mtj n LEU 82 Cb 0.29 -0.96 -0.16 0.00 -2.33 0.00 0.00 43.42 40.26 3mtj n LEU 82 CO 0.01 0.31 -0.56 -1.61 -1.33 0.00 0.00 177.39 174.20 3mtj s GLU 83 N -2.38 1.97 0.00 3.23 0.41 -1.26 0.15 118.70 120.82 3mtj s GLU 83 Ca -0.29 -0.96 0.11 0.00 -0.41 0.00 0.00 54.97 53.42 3mtj s GLU 83 Cb 0.06 -1.97 0.54 0.00 -1.78 0.00 0.00 34.13 30.99 3mtj s GLU 83 CO 0.59 0.53 1.37 -0.35 -0.49 0.00 0.00 175.26 176.91 3mtj n PRO 84 N 2.27 1.26 -0.20 0.39 -0.04 -1.26 -4.94 135.00 132.49 3mtj n PRO 84 Ca -0.16 -0.40 -0.00 0.00 -0.04 0.00 0.00 63.50 62.89 3mtj n PRO 84 Cb 0.51 -1.21 0.10 0.00 -0.04 0.00 0.00 33.50 32.87 3mtj n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mtj h ALA 85 N 3.47 0.75 -0.28 0.55 0.00 -1.80 -1.70 119.26 120.25 3mtj h ALA 85 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3mtj h ALA 85 Cb 0.16 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3mtj h ALA 85 CO 0.00 -0.23 0.03 -0.09 0.00 0.00 0.00 179.25 178.96 3mtj h ARG 86 N 0.36 0.12 -0.44 0.00 2.43 -0.58 0.15 114.38 116.43 3mtj h ARG 86 Ca 0.30 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3mtj h ARG 86 Cb 0.39 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3mtj h ARG 86 CO -0.32 0.08 0.18 1.49 -1.51 0.00 0.00 179.97 179.88 3mtj h GLU 87 N 0.12 0.65 -0.40 0.20 4.81 -1.68 -3.17 114.58 115.11 3mtj h GLU 87 Ca 0.13 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 3mtj h GLU 87 Cb 0.15 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3mtj h GLU 87 CO -0.19 0.60 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.46 3mtj h LEU 88 N 0.56 0.82 -1.29 1.64 3.38 -1.05 -1.75 115.31 117.64 3mtj h LEU 88 Ca 0.15 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3mtj h LEU 88 Cb 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mtj h LEU 88 CO -0.01 1.03 0.00 0.52 0.09 0.00 0.00 178.44 180.07 3mtj n VAL 89 N -4.28 0.00 0.00 1.22 0.31 0.02 -0.50 118.33 115.10 3mtj n VAL 89 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3mtj n VAL 89 Cb 0.40 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 3mtj n VAL 89 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3mtj n GLN 91 N 0.60 0.00 -0.17 5.55 -0.06 -0.66 -1.60 117.38 121.04 3mtj n GLN 91 Ca 0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.93 3mtj n GLN 91 Cb 0.00 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.20 3mtj n GLN 91 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3mtj h ALA 92 N 0.00 0.65 -0.22 1.69 0.00 -1.04 -1.89 119.26 118.45 3mtj h ALA 92 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mtj h ALA 92 Cb 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3mtj h ALA 92 CO 0.00 0.10 0.07 0.82 0.00 0.00 0.00 179.25 180.24 3mtj h ILE 93 N 0.70 1.18 -0.52 0.00 2.04 -1.45 -1.30 117.51 118.15 3mtj h ILE 93 Ca 0.19 -0.57 0.14 0.00 1.00 0.00 0.00 64.86 65.62 3mtj h ILE 93 Cb -0.08 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3mtj h ILE 93 CO -0.04 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.66 3mtj h ALA 94 N 0.90 2.41 -0.23 1.87 0.00 -1.78 0.22 119.26 122.65 3mtj h ALA 94 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mtj h ALA 94 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mtj h ALA 94 CO -0.00 -0.56 0.00 0.09 0.00 0.00 0.00 179.25 178.78 3mtj n ASN 95 N -4.40 1.79 -0.76 0.00 5.03 -0.73 -4.93 115.26 111.26 3mtj n ASN 95 Ca 0.09 -1.80 -0.06 0.00 0.87 0.00 0.00 54.58 53.68 3mtj n ASN 95 Cb 0.56 -0.15 -0.00 0.00 -1.02 0.00 0.00 39.78 39.16 3mtj n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3mtj n GLY 96 N 1.12 0.15 3.74 7.41 0.00 0.07 -5.05 105.19 112.63 3mtj n GLY 96 Ca 0.15 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.23 3mtj n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtj s LYS 97 N -4.40 2.93 0.60 1.61 1.02 -0.52 -4.98 119.74 116.01 3mtj s LYS 97 Ca 0.01 -0.56 -0.14 0.00 0.02 0.00 0.00 55.97 55.31 3mtj s LYS 97 Cb -0.01 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 3mtj s LYS 97 CO 0.02 0.63 1.03 -1.01 -0.92 0.00 0.00 175.35 175.10 3mtj s HIS 98 N -1.17 3.25 -0.07 3.18 3.76 -0.97 -4.14 115.29 119.14 3mtj s HIS 98 Ca 0.22 1.44 0.02 0.00 -0.15 0.00 0.00 55.06 56.59 3mtj s HIS 98 Cb -0.12 -2.87 0.02 0.00 1.11 0.00 0.00 32.58 30.71 3mtj s HIS 98 CO 0.13 -0.88 -0.11 0.08 -0.85 0.00 0.00 174.74 173.12 3mtj s VAL 99 N -2.76 1.05 -0.20 -0.90 1.01 -1.26 -0.75 120.40 116.60 3mtj s VAL 99 Ca 0.60 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 3mtj s VAL 99 Cb -0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3mtj s VAL 99 CO 0.43 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 175.14 3mtj s VAL 100 N 0.79 3.64 0.08 2.92 1.01 0.53 -1.05 120.40 128.32 3mtj s VAL 100 Ca -0.12 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3mtj s VAL 100 Cb -0.15 -2.63 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3mtj s VAL 100 CO 0.02 0.44 -0.12 0.28 0.00 0.00 0.00 175.10 175.72 3mtj s THR 101 N 1.06 1.02 -1.37 3.92 -1.32 -0.55 0.44 115.64 118.84 3mtj s THR 101 Ca 0.01 -1.44 0.14 0.00 -1.21 0.00 0.00 61.69 59.19 3mtj s THR 101 Cb -0.15 -1.17 0.33 0.00 -1.51 0.00 0.00 72.50 70.00 3mtj s THR 101 CO 0.01 -0.38 1.25 0.00 -2.21 0.00 0.00 174.62 173.29 3mtj n ALA 102 N 0.97 2.29 -2.80 11.08 0.00 -1.10 -3.98 120.51 126.97 3mtj n ALA 102 Ca -0.19 -1.05 -0.43 0.00 0.00 0.00 0.00 53.44 51.77 3mtj n ALA 102 Cb 0.56 -0.56 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3mtj n ALA 102 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3mtj s ASN 103 N -1.05 6.88 0.46 0.00 3.84 -1.26 -4.16 114.94 119.64 3mtj s ASN 103 Ca 0.27 -2.53 0.14 0.00 0.21 0.00 0.00 52.86 50.95 3mtj s ASN 103 Cb 0.15 -2.47 1.06 0.00 -0.55 0.00 0.00 41.25 39.44 3mtj s ASN 103 CO 0.20 -1.00 2.04 0.07 -2.79 0.00 0.00 177.10 175.63 3mtj h LYS 104 N 7.82 0.06 0.08 0.43 -0.00 -1.93 -1.95 116.57 121.08 3mtj h LYS 104 Ca 0.32 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.65 60.95 3mtj h LYS 104 Cb 0.91 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.13 3mtj h LYS 104 CO 1.30 0.16 -0.04 1.25 -0.00 0.00 0.00 179.45 182.12 3mtj h HIS 105 N 0.06 -0.10 -0.00 0.07 2.76 -1.91 -1.07 115.15 114.96 3mtj h HIS 105 Ca 0.01 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3mtj h HIS 105 Cb 0.20 0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 3mtj h HIS 105 CO 0.00 0.20 0.00 1.25 -1.30 0.00 0.00 177.93 178.09 3mtj h LEU 106 N -0.41 0.00 -1.03 0.26 5.85 -1.71 -2.03 115.31 116.24 3mtj h LEU 106 Ca -0.01 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 3mtj h LEU 106 Cb 0.35 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3mtj h LEU 106 CO 0.02 0.03 0.14 0.58 -0.34 0.00 0.00 178.44 178.87 3mtj h VAL 107 N -0.03 1.22 -0.19 1.05 2.07 -1.41 0.54 116.25 119.51 3mtj h VAL 107 Ca 0.00 -0.80 -0.16 0.00 0.82 0.00 0.00 66.70 66.56 3mtj h VAL 107 Cb 0.03 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3mtj h VAL 107 CO -0.00 0.30 -0.54 0.00 0.02 0.00 0.00 177.57 177.35 3mtj h ALA 108 N 1.35 0.70 0.16 1.67 0.00 -1.12 -0.72 119.26 121.29 3mtj h ALA 108 Ca 0.18 -0.51 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 3mtj h ALA 108 Cb 0.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3mtj h ALA 108 CO -0.00 0.69 -1.78 0.87 0.00 0.00 0.00 179.25 179.02 3mtj h LYS 109 N 0.43 0.33 -0.05 0.00 1.57 -1.13 -3.37 116.57 114.36 3mtj h LYS 109 Ca 0.01 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 3mtj h LYS 109 Cb 1.09 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3mtj h LYS 109 CO 0.10 1.27 0.00 0.66 -0.57 0.00 0.00 179.45 180.92 3mtj n TYR 110 N -3.61 0.07 -0.29 -1.35 4.01 0.19 -4.77 117.16 111.40 3mtj n TYR 110 Ca -0.27 -0.58 0.09 0.00 -0.16 0.00 0.00 57.90 56.98 3mtj n TYR 110 Cb 1.04 -0.07 0.24 0.00 -0.31 0.00 0.00 39.34 40.25 3mtj n TYR 110 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3mtj h GLY 111 N 0.27 1.40 0.79 2.72 0.00 -1.17 -1.35 103.07 105.74 3mtj h GLY 111 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3mtj h GLY 111 CO 0.00 -0.11 -0.08 3.43 0.00 0.00 0.00 176.54 179.79 3mtj h ASN 112 N 0.54 -0.23 -0.11 0.19 2.35 -1.86 -0.34 115.58 116.11 3mtj h ASN 112 Ca 0.48 0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 56.16 3mtj h ASN 112 Cb 0.77 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.22 3mtj h ASN 112 CO -0.41 -0.12 -0.29 -0.33 -1.65 0.00 0.00 177.43 174.63 3mtj h GLU 113 N -0.14 0.58 0.04 0.81 3.07 -1.82 -2.02 114.58 115.10 3mtj h GLU 113 Ca 0.03 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3mtj h GLU 113 Cb 0.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 3mtj h GLU 113 CO -0.08 0.81 -0.02 0.82 -1.40 0.00 0.00 179.01 179.13 3mtj h ILE 114 N 0.50 1.24 -0.51 3.13 2.04 -0.99 -2.06 117.51 120.86 3mtj h ILE 114 Ca 0.06 -0.95 -0.07 0.00 1.00 0.00 0.00 64.86 64.90 3mtj h ILE 114 Cb 0.75 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3mtj h ILE 114 CO 0.06 0.24 0.02 -0.26 0.00 0.00 0.00 178.15 178.21 3mtj h PHE 115 N -0.48 0.89 -0.46 1.37 0.04 -1.10 0.20 116.94 117.42 3mtj h PHE 115 Ca -0.01 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.64 3mtj h PHE 115 Cb 0.44 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3mtj h PHE 115 CO 0.07 0.81 0.29 0.00 -0.60 0.00 0.00 178.31 178.87 3mtj h ALA 116 N 1.23 0.58 -0.61 2.45 0.00 -1.36 0.20 119.26 121.76 3mtj h ALA 116 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3mtj h ALA 116 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3mtj h ALA 116 CO 0.02 0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.36 3mtj h ALA 117 N 1.14 0.91 -0.28 0.00 0.00 -1.04 -2.14 119.26 117.85 3mtj h ALA 117 Ca 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3mtj h ALA 117 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3mtj h ALA 117 CO -0.03 0.66 0.12 0.00 0.00 0.00 0.00 179.25 179.99 3mtj h ALA 118 N 1.07 0.37 -0.77 0.00 0.00 -0.64 -1.71 119.26 117.58 3mtj h ALA 118 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3mtj h ALA 118 Cb 0.50 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3mtj h ALA 118 CO 0.02 -0.04 0.35 0.37 0.00 0.00 0.00 179.25 179.95 3mtj h GLN 119 N 0.31 1.11 -0.74 0.00 4.15 -0.91 0.55 115.11 119.58 3mtj h GLN 119 Ca 0.09 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3mtj h GLN 119 Cb 0.17 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 3mtj h GLN 119 CO -0.01 0.88 0.36 0.00 -1.93 0.00 0.00 178.83 178.13 3mtj h ALA 120 N 1.18 0.95 0.00 3.38 0.00 -1.32 -2.62 119.26 120.83 3mtj h ALA 120 Ca 0.26 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3mtj h ALA 120 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3mtj h ALA 120 CO -0.03 0.51 -0.62 -0.22 0.00 0.00 0.00 179.25 178.89 3mtj h LYS 121 N 1.03 0.00 0.00 0.00 1.63 -1.00 -3.48 116.57 114.76 3mtj h LYS 121 Ca 0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 3mtj h LYS 121 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3mtj h LYS 121 CO -0.03 0.62 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 3mtj n GLY 122 N 0.92 0.82 0.00 5.01 0.00 0.18 -5.01 105.19 107.11 3mtj n GLY 122 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3mtj n GLY 122 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mtj n VAL 123 N -2.65 0.00 -3.55 1.61 0.24 -0.35 -5.01 118.33 108.62 3mtj n VAL 123 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3mtj n VAL 123 Cb 0.12 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.44 3mtj n VAL 123 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3mtj s VAL 125 N 4.34 -0.10 0.17 3.34 1.01 -1.26 -4.29 120.40 123.61 3mtj s VAL 125 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3mtj s VAL 125 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3mtj s VAL 125 CO 0.00 0.00 -0.16 0.42 0.00 0.00 0.00 175.10 175.36 3mtj s THR 126 N 1.53 1.70 0.00 3.92 -4.23 -0.21 -4.69 115.64 113.66 3mtj s THR 126 Ca -0.07 -1.98 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 3mtj s THR 126 Cb -0.03 -1.86 0.19 0.00 1.34 0.00 0.00 72.50 72.14 3mtj s THR 126 CO -0.14 -0.43 1.04 2.22 -0.54 0.00 0.00 174.62 176.77 3mtj n PHE 127 N 0.10 0.00 -0.23 3.99 1.16 -1.26 -1.48 117.46 119.74 3mtj n PHE 127 Ca -0.12 -0.43 0.03 0.00 -1.87 0.00 0.00 57.45 55.06 3mtj n PHE 127 Cb 0.58 0.16 0.15 0.00 -1.61 0.00 0.00 39.48 38.77 3mtj n PHE 127 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3mtj h GLU 128 N 0.43 0.37 0.00 3.97 4.57 -1.87 -0.36 114.58 121.70 3mtj h GLU 128 Ca -0.34 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 3mtj h GLU 128 Cb 1.59 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.10 3mtj h GLU 128 CO -0.08 0.25 0.00 0.00 -1.18 0.00 0.00 179.01 178.00 3mtj n ALA 129 N -2.54 1.67 0.19 2.92 0.00 -1.26 -2.92 120.51 118.58 3mtj n ALA 129 Ca 0.12 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.59 3mtj n ALA 129 Cb 0.37 -1.24 0.24 0.00 0.00 0.00 0.00 19.45 18.81 3mtj n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mtj h ALA 130 N 2.50 0.88 -3.30 0.00 0.00 -1.18 -3.40 119.26 114.75 3mtj h ALA 130 Ca 0.00 -0.25 -0.50 0.00 0.00 0.00 0.00 54.91 54.16 3mtj h ALA 130 Cb 0.26 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 17.64 3mtj h ALA 130 CO 0.00 0.35 -0.80 0.14 0.00 0.00 0.00 179.25 178.94 3mtj s VAL 131 N -3.28 0.92 -1.56 0.00 -7.23 -1.15 -4.43 120.40 103.67 3mtj s VAL 131 Ca 0.03 -0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 59.91 3mtj s VAL 131 Cb 0.08 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 36.10 3mtj s VAL 131 CO 0.68 0.33 0.27 0.00 -0.31 0.00 0.00 175.10 176.07 3mtj n ALA 132 N 4.51 -0.73 -0.47 1.32 0.00 -1.26 -4.80 120.51 119.09 3mtj n ALA 132 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3mtj n ALA 132 Cb 0.51 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3mtj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtj n GLY 133 N -1.23 3.17 0.01 0.00 0.00 -0.94 -1.37 105.19 104.83 3mtj n GLY 133 Ca -0.17 0.24 0.15 0.00 0.00 0.00 0.00 46.02 46.24 3mtj n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtj n GLY 134 N 0.00 -1.30 3.68 -0.02 0.00 -1.15 -4.56 105.19 101.84 3mtj n GLY 134 Ca 0.00 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3mtj n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtj s ILE 135 N -2.64 3.96 -1.57 -0.61 1.01 -0.47 -4.78 121.20 116.09 3mtj s ILE 135 Ca 0.26 1.28 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 3mtj s ILE 135 Cb 0.20 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 3mtj s ILE 135 CO 0.48 -0.03 2.84 -0.81 0.00 0.00 0.00 174.94 177.42 3mtj n PRO 136 N 5.67 3.86 0.03 2.79 -0.04 -1.26 -4.62 135.00 141.43 3mtj n PRO 136 Ca 0.13 -2.45 -0.16 0.00 -0.04 0.00 0.00 63.50 60.98 3mtj n PRO 136 Cb 0.44 -2.78 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 3mtj n PRO 136 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3mtj h ILE 137 N 2.95 1.32 -0.44 0.52 6.09 -1.91 -0.76 117.51 125.28 3mtj h ILE 137 Ca 0.84 -2.18 -0.02 0.00 -1.37 0.00 0.00 64.86 62.13 3mtj h ILE 137 Cb 0.29 2.20 -0.02 0.00 0.47 0.00 0.00 36.82 39.77 3mtj h ILE 137 CO 1.73 0.67 0.21 0.40 -3.07 0.00 0.00 178.15 178.09 3mtj h ILE 138 N 0.39 1.18 -0.18 2.19 1.08 -1.90 0.24 117.51 120.52 3mtj h ILE 138 Ca -0.07 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.86 3mtj h ILE 138 Cb 1.50 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3mtj h ILE 138 CO 0.17 0.20 0.08 0.50 -0.69 0.00 0.00 178.15 178.40 3mtj h LYS 139 N 0.57 0.27 -0.30 2.37 3.64 -1.92 0.21 116.57 121.40 3mtj h LYS 139 Ca 0.15 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 3mtj h LYS 139 Cb 0.13 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 3mtj h LYS 139 CO -0.02 0.33 -0.12 0.00 -2.27 0.00 0.00 179.45 177.37 3mtj h ALA 140 N 0.92 0.14 -0.37 5.00 0.00 -0.97 0.11 119.26 124.09 3mtj h ALA 140 Ca 0.06 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3mtj h ALA 140 Cb 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3mtj h ALA 140 CO -0.01 -0.51 -0.09 -0.07 0.00 0.00 0.00 179.25 178.57 3mtj h LEU 141 N -0.06 0.72 0.04 0.00 3.38 -0.27 0.12 115.31 119.23 3mtj h LEU 141 Ca 0.15 -0.37 -0.25 0.00 0.09 0.00 0.00 57.88 57.50 3mtj h LEU 141 Cb 0.29 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3mtj h LEU 141 CO -0.34 0.92 -1.28 -0.09 0.09 0.00 0.00 178.44 177.73 3mtj h ARG 142 N 0.51 0.07 0.00 1.13 9.65 -0.54 -3.37 114.38 121.83 3mtj h ARG 142 Ca 0.09 -0.13 -0.05 0.00 -1.10 0.00 0.00 59.98 58.80 3mtj h ARG 142 Cb 0.61 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.23 3mtj h ARG 142 CO 0.04 0.93 -1.07 0.39 2.80 0.00 0.00 179.97 183.06 3mtj n GLU 143 N -3.32 0.06 -0.34 0.20 1.02 0.32 -4.38 120.64 114.19 3mtj n GLU 143 Ca -0.08 0.03 -0.02 0.00 -0.02 0.00 0.00 57.16 57.07 3mtj n GLU 143 Cb 0.99 -0.61 0.12 0.00 -0.02 0.00 0.00 31.44 31.92 3mtj n GLU 143 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3mtj h GLY 144 N -0.11 1.35 -2.08 0.62 0.00 -0.71 -3.20 103.07 98.94 3mtj h GLY 144 Ca -0.07 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 3mtj h GLY 144 CO -0.04 0.53 0.01 1.04 0.00 0.00 0.00 176.54 178.08 3mtj n LEU 145 N -4.36 4.36 0.08 3.11 4.77 0.37 -4.61 117.00 120.72 3mtj n LEU 145 Ca 0.11 -3.07 0.17 0.00 -0.03 0.00 0.00 56.01 53.19 3mtj n LEU 145 Cb 0.05 -0.59 0.70 0.00 -2.33 0.00 0.00 43.42 41.25 3mtj n LEU 145 CO 0.38 0.71 1.16 0.00 -1.33 0.00 0.00 177.39 178.31 3mtj h THR 146 N 2.17 0.74 -0.01 -5.08 1.03 -1.72 -0.00 112.91 110.04 3mtj h THR 146 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.43 3mtj h THR 146 Cb 1.61 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 3mtj h THR 146 CO 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 175.52 175.82 3mtj n ALA 147 N -2.58 2.63 -2.54 0.00 0.00 -1.26 -4.86 120.51 111.90 3mtj n ALA 147 Ca 0.06 -0.17 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 3mtj n ALA 147 Cb 0.47 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3mtj n ALA 147 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3mtj s ASN 148 N -1.72 4.34 -0.08 0.00 0.01 -0.02 -4.82 114.94 112.65 3mtj s ASN 148 Ca 0.34 -0.16 -0.25 0.00 -0.71 0.00 0.00 52.86 52.08 3mtj s ASN 148 Cb 0.16 -0.97 -0.03 0.00 0.41 0.00 0.00 41.25 40.82 3mtj s ASN 148 CO 0.27 0.32 0.79 -0.60 -1.51 0.00 0.00 177.10 176.37 3mtj s ARG 149 N -1.03 4.42 -0.18 -0.60 3.52 -1.26 -4.90 118.95 118.91 3mtj s ARG 149 Ca 0.14 1.03 -0.23 0.00 -0.13 0.00 0.00 55.73 56.54 3mtj s ARG 149 Cb -0.11 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3mtj s ARG 149 CO 0.03 -0.07 0.70 0.42 -0.81 0.00 0.00 175.30 175.57 3mtj s ILE 150 N 1.24 4.97 -0.12 4.11 -1.09 -1.26 -1.07 121.20 127.99 3mtj s ILE 150 Ca 0.41 1.36 -0.14 0.00 -2.23 0.00 0.00 60.65 60.05 3mtj s ILE 150 Cb -0.18 -4.02 -0.26 0.00 -1.58 0.00 0.00 42.46 36.42 3mtj s ILE 150 CO 0.18 0.09 0.47 -0.33 -1.23 0.00 0.00 174.94 174.12 3mtj h GLU 151 N 7.38 0.23 -2.46 2.79 5.08 -0.77 -3.45 114.58 123.37 3mtj h GLU 151 Ca -0.31 -0.40 0.09 0.00 -1.00 0.00 0.00 59.36 57.75 3mtj h GLU 151 Cb 1.14 0.15 -0.13 0.00 0.50 0.00 0.00 28.75 30.41 3mtj h GLU 151 CO 0.80 1.19 0.42 1.67 -1.00 0.00 0.00 179.01 182.09 3mtj s TRP 152 N -2.49 -0.34 0.02 4.33 1.48 -1.20 -1.36 118.94 119.38 3mtj s TRP 152 Ca -0.21 0.14 0.00 0.00 -1.06 0.00 0.00 56.10 54.97 3mtj s TRP 152 Cb 0.05 0.57 -0.02 0.00 -1.16 0.00 0.00 33.47 32.91 3mtj s TRP 152 CO 0.75 -0.69 -0.03 -0.48 -4.06 0.00 0.00 176.95 172.44 3mtj s LEU 153 N -2.64 2.22 -0.04 -4.66 0.05 -0.31 -0.33 118.68 112.97 3mtj s LEU 153 Ca 0.06 -0.46 0.03 0.00 0.05 0.00 0.00 54.13 53.81 3mtj s LEU 153 Cb -0.01 0.06 0.00 0.00 -2.05 0.00 0.00 46.19 44.19 3mtj s LEU 153 CO -0.07 -0.26 -0.14 0.00 -0.55 0.00 0.00 176.35 175.33 3mtj s ALA 154 N -1.32 1.28 -0.02 1.48 0.00 0.37 -2.21 121.76 121.35 3mtj s ALA 154 Ca -0.14 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3mtj s ALA 154 Cb -0.09 -0.47 -0.00 0.00 0.00 0.00 0.00 23.12 22.56 3mtj s ALA 154 CO -0.01 0.20 -0.09 0.20 0.00 0.00 0.00 175.76 176.06 3mtj s GLY 155 N 0.22 0.49 -0.52 0.00 0.00 0.01 -0.26 107.32 107.26 3mtj s GLY 155 Ca -0.06 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 3mtj s GLY 155 CO 0.02 -0.21 0.64 -0.42 0.00 0.00 0.00 173.10 173.13 3mtj s ILE 156 N -0.02 4.86 -0.03 0.90 1.01 0.59 -1.28 121.20 127.24 3mtj s ILE 156 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 60.65 60.11 3mtj s ILE 156 Cb -0.06 -4.34 0.06 0.00 0.01 0.00 0.00 42.46 38.13 3mtj s ILE 156 CO -0.00 -0.87 0.91 2.30 0.00 0.00 0.00 174.94 177.29 3mtj n ILE 157 N 5.61 0.47 -3.82 2.92 -5.35 -1.26 -0.65 119.36 117.28 3mtj n ILE 157 Ca -0.07 -0.55 -0.27 0.00 -0.27 0.00 0.00 62.75 61.59 3mtj n ILE 157 Cb 0.45 0.47 -0.17 0.00 -1.74 0.00 0.00 39.64 38.65 3mtj n ILE 157 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3mtj s ASN 158 N -1.14 2.67 0.20 7.28 2.47 -1.26 -4.69 114.94 120.47 3mtj s ASN 158 Ca 0.06 -0.63 -0.05 0.00 0.42 0.00 0.00 52.86 52.66 3mtj s ASN 158 Cb 0.06 -0.74 0.15 0.00 -1.45 0.00 0.00 41.25 39.27 3mtj s ASN 158 CO 0.01 -0.23 1.60 1.23 -3.72 0.00 0.00 177.10 175.99 3mtj h GLY 159 N 8.19 0.86 0.67 1.21 0.00 -1.92 -2.64 103.07 109.45 3mtj h GLY 159 Ca -0.20 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.35 3mtj h GLY 159 CO 0.35 0.69 -0.02 -0.84 0.00 0.00 0.00 176.54 176.73 3mtj h THR 160 N 0.68 1.30 -0.19 4.70 2.02 -1.89 -0.26 112.91 119.28 3mtj h THR 160 Ca 0.09 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.26 3mtj h THR 160 Cb 0.78 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.99 3mtj h THR 160 CO 0.06 0.26 -0.16 0.77 0.37 0.00 0.00 175.52 176.82 3mtj h SER 161 N -0.24 0.30 -0.36 4.18 4.64 -1.81 -1.68 113.55 118.57 3mtj h SER 161 Ca 0.01 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.10 3mtj h SER 161 Cb 0.42 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3mtj h SER 161 CO 0.01 0.48 -0.38 -1.13 -0.87 0.00 0.00 176.83 174.93 3mtj h ASN 162 N 0.29 0.98 -0.35 4.97 -0.00 -1.37 -2.31 115.58 117.78 3mtj h ASN 162 Ca 0.06 -0.45 0.02 0.00 -0.00 0.00 0.00 56.30 55.93 3mtj h ASN 162 Cb 0.45 -0.28 -0.03 0.00 -0.00 0.00 0.00 38.32 38.47 3mtj h ASN 162 CO 0.03 1.24 0.20 0.15 -0.00 0.00 0.00 177.43 179.05 3mtj h PHE 163 N 0.75 0.37 -0.06 0.67 3.57 -0.17 0.35 116.94 122.42 3mtj h PHE 163 Ca 0.06 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3mtj h PHE 163 Cb 0.98 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3mtj h PHE 163 CO 0.06 0.21 0.01 0.82 -2.23 0.00 0.00 178.31 177.19 3mtj h ILE 164 N 0.40 0.98 -0.27 1.41 2.04 -1.32 0.04 117.51 120.80 3mtj h ILE 164 Ca 0.14 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 3mtj h ILE 164 Cb 0.02 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3mtj h ILE 164 CO -0.08 0.01 -0.15 -0.07 0.00 0.00 0.00 178.15 177.87 3mtj h LEU 165 N 0.04 0.44 -0.15 1.44 3.38 -1.26 -2.79 115.31 116.42 3mtj h LEU 165 Ca 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3mtj h LEU 165 Cb 0.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3mtj h LEU 165 CO -0.03 0.61 0.02 0.28 0.09 0.00 0.00 178.44 179.41 3mtj h SER 166 N 0.42 0.24 0.00 -0.43 0.02 -0.79 -2.79 113.55 110.21 3mtj h SER 166 Ca 0.08 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3mtj h SER 166 Cb 0.50 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3mtj h SER 166 CO 0.03 0.44 0.00 -0.62 -1.14 0.00 0.00 176.83 175.54 3mtj n GLU 167 N -4.80 0.12 0.00 3.45 -0.58 -0.01 -1.35 120.64 117.48 3mtj n GLU 167 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 3mtj n GLU 167 Cb 0.18 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 3mtj n GLU 167 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 3mtj n ARG 169 N 0.82 0.00 0.00 3.49 0.00 -1.06 -0.21 116.66 119.70 3mtj n ARG 169 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 3mtj n ARG 169 Cb 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.45 3mtj n ARG 169 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3mtj h ASP 170 N 0.00 0.09 0.41 6.15 3.32 -1.50 -3.33 116.42 121.56 3mtj h ASP 170 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3mtj h ASP 170 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3mtj h ASP 170 CO 0.00 0.18 -1.51 0.29 -1.72 0.00 0.00 179.24 176.48 3mtj n LYS 171 N -4.98 0.59 -0.96 3.56 4.01 0.71 -4.99 118.16 116.10 3mtj n LYS 171 Ca -0.06 -0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 3mtj n LYS 171 Cb 0.09 -1.64 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 3mtj n LYS 171 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3mtj n GLY 172 N 1.25 0.80 3.88 0.72 0.00 -1.25 -5.03 105.19 105.56 3mtj n GLY 172 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3mtj n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mtj s ALA 173 N -3.17 2.80 0.61 4.61 0.00 -1.26 -4.94 121.76 120.42 3mtj s ALA 173 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 51.96 51.39 3mtj s ALA 173 Cb 0.00 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 3mtj s ALA 173 CO 0.00 -1.29 1.11 0.00 0.00 0.00 0.00 175.76 175.58 3mtj s ALA 174 N -3.40 2.57 0.21 0.00 0.00 -1.26 -4.78 121.76 115.11 3mtj s ALA 174 Ca 0.59 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 3mtj s ALA 174 Cb -0.11 -3.33 0.30 0.00 0.00 0.00 0.00 23.12 19.98 3mtj s ALA 174 CO 0.51 -1.06 1.73 0.35 0.00 0.00 0.00 175.76 177.30 3mtj h PHE 175 N 0.47 0.35 -0.45 0.00 3.57 -1.95 -2.20 116.94 116.74 3mtj h PHE 175 Ca -0.48 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.13 3mtj h PHE 175 Cb 1.25 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 3mtj h PHE 175 CO 0.54 0.06 0.05 -0.44 -2.23 0.00 0.00 178.31 176.29 3mtj h ASP 176 N 0.37 -0.07 1.31 0.41 3.45 -1.93 0.32 116.42 120.27 3mtj h ASP 176 Ca 0.32 0.09 -0.07 0.00 0.43 0.00 0.00 57.03 57.80 3mtj h ASP 176 Cb 0.43 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.33 3mtj h ASP 176 CO -0.34 -0.00 -0.72 0.44 -1.57 0.00 0.00 179.24 177.04 3mtj h ASP 177 N 0.18 0.00 -0.37 6.45 3.32 -1.92 -2.04 116.42 122.03 3mtj h ASP 177 Ca 0.22 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 3mtj h ASP 177 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 3mtj h ASP 177 CO -0.33 0.27 -0.36 0.58 -1.72 0.00 0.00 179.24 177.68 3mtj h VAL 178 N 0.00 1.28 -0.52 -1.35 2.07 -1.04 -0.30 116.25 116.39 3mtj h VAL 178 Ca -0.04 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 3mtj h VAL 178 Cb 1.24 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3mtj h VAL 178 CO 0.03 0.51 0.17 0.25 0.02 0.00 0.00 177.57 178.54 3mtj h LEU 179 N 0.70 0.75 -0.37 2.57 6.46 -0.92 0.12 115.31 124.63 3mtj h LEU 179 Ca 0.06 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 3mtj h LEU 179 Cb 0.95 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.68 3mtj h LEU 179 CO 0.09 0.75 -0.05 0.11 -0.62 0.00 0.00 178.44 178.72 3mtj h LYS 180 N 0.70 0.68 -0.31 1.25 1.57 -1.37 -1.81 116.57 117.29 3mtj h LYS 180 Ca 0.17 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3mtj h LYS 180 Cb 0.27 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3mtj h LYS 180 CO -0.01 0.82 -0.17 1.49 -0.57 0.00 0.00 179.45 181.01 3mtj h GLU 181 N 0.48 0.55 -0.54 3.15 4.57 -0.97 -1.89 114.58 119.94 3mtj h GLU 181 Ca 0.10 -0.18 -0.11 0.00 -1.18 0.00 0.00 59.36 57.99 3mtj h GLU 181 Cb 0.54 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 3mtj h GLU 181 CO 0.03 0.70 -0.08 0.00 -1.18 0.00 0.00 179.01 178.49 3mtj h ALA 182 N 1.32 0.84 -0.63 2.92 0.00 -0.85 -2.03 119.26 120.82 3mtj h ALA 182 Ca 0.08 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3mtj h ALA 182 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3mtj h ALA 182 CO 0.04 0.66 0.13 1.96 0.00 0.00 0.00 179.25 182.04 3mtj h GLN 183 N 0.89 1.03 -0.65 0.00 4.20 -1.05 0.22 115.11 119.76 3mtj h GLN 183 Ca 0.15 -0.26 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 3mtj h GLN 183 Cb 0.63 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3mtj h GLN 183 CO 0.04 0.94 0.13 -0.09 -0.67 0.00 0.00 178.83 179.19 3mtj h ARG 184 N 0.95 1.05 -0.01 1.46 2.43 -1.17 -2.79 114.38 116.29 3mtj h ARG 184 Ca 0.20 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3mtj h ARG 184 Cb 0.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3mtj h ARG 184 CO 0.01 0.95 -0.04 1.28 -1.51 0.00 0.00 179.97 180.65 3mtj n LEU 185 N -4.23 1.40 0.00 3.80 4.32 -0.78 -4.95 117.00 116.57 3mtj n LEU 185 Ca 0.05 -0.45 0.00 0.00 -0.02 0.00 0.00 56.01 55.58 3mtj n LEU 185 Cb 0.27 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 3mtj n LEU 185 CO 0.42 0.24 0.00 0.61 -1.22 0.00 0.00 177.39 177.44 3mtj n GLY 186 N 1.20 0.58 0.12 -0.72 0.00 -0.50 -4.94 105.19 100.93 3mtj n GLY 186 Ca 0.18 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.54 3mtj n GLY 186 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3mtj h TYR 187 N 0.00 0.00 -3.99 1.61 -1.99 -0.86 -3.46 116.97 108.28 3mtj h TYR 187 Ca 0.00 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.31 3mtj h TYR 187 Cb 0.06 0.00 -0.29 0.00 2.00 0.00 0.00 36.73 38.50 3mtj h TYR 187 CO 0.00 0.00 -0.79 0.00 -0.00 0.00 0.00 178.16 177.37 3mtj s ALA 188 N -3.35 0.86 0.49 3.88 0.00 -0.98 -4.66 121.76 118.00 3mtj s ALA 188 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 51.96 51.42 3mtj s ALA 188 Cb 0.09 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.90 3mtj s ALA 188 CO 0.78 0.19 0.90 -1.21 0.00 0.00 0.00 175.76 176.42 3mtj s GLU 189 N -0.11 3.81 0.38 0.00 2.02 -1.26 -4.06 118.70 119.48 3mtj s GLU 189 Ca 0.02 0.71 0.17 0.00 0.02 0.00 0.00 54.97 55.88 3mtj s GLU 189 Cb -0.05 -2.23 1.09 0.00 0.10 0.00 0.00 34.13 33.03 3mtj s GLU 189 CO -0.00 -0.23 1.73 0.00 0.02 0.00 0.00 175.26 176.78 3mtj h ALA 190 N 0.81 2.15 -3.02 5.21 0.00 -2.01 -2.77 119.26 119.64 3mtj h ALA 190 Ca -0.47 0.10 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 3mtj h ALA 190 Cb 1.19 0.06 -0.33 0.00 0.00 0.00 0.00 17.79 18.70 3mtj h ALA 190 CO 0.62 -0.62 -0.49 0.34 0.00 0.00 0.00 179.25 179.10 3mtj s ASP 191 N -5.11 5.37 -0.09 0.00 -1.08 -1.26 -4.97 116.67 109.52 3mtj s ASP 191 Ca -0.09 -2.10 0.14 0.00 -0.52 0.00 0.00 52.55 49.97 3mtj s ASP 191 Cb 0.27 -1.88 0.55 0.00 -1.46 0.00 0.00 42.92 40.41 3mtj s ASP 191 CO 0.80 -0.56 1.42 -0.81 0.52 0.00 0.00 175.17 176.54 3mtj n PRO 192 N 4.54 3.13 -0.19 4.34 -0.04 -1.05 -4.69 135.00 141.04 3mtj n PRO 192 Ca -0.02 -2.18 -0.04 0.00 -0.04 0.00 0.00 63.50 61.22 3mtj n PRO 192 Cb 0.41 -1.76 0.03 0.00 -0.04 0.00 0.00 33.50 32.13 3mtj n PRO 192 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3mtj h THR 193 N 3.11 0.26 -0.27 0.52 2.02 -1.93 -0.75 112.91 115.86 3mtj h THR 193 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3mtj h THR 193 Cb 1.19 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3mtj h THR 193 CO 0.19 0.00 0.11 -0.26 0.37 0.00 0.00 175.52 175.93 3mtj h PHE 194 N -0.11 0.37 0.20 3.16 0.05 -1.96 -0.55 116.94 118.10 3mtj h PHE 194 Ca 0.26 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 62.03 3mtj h PHE 194 Cb 0.52 -0.12 0.00 0.00 2.00 0.00 0.00 35.95 38.35 3mtj h PHE 194 CO -0.57 0.30 -0.10 -0.44 -0.18 0.00 0.00 178.31 177.32 3mtj h ASP 195 N 0.38 -0.23 1.01 2.17 3.32 -1.63 0.46 116.42 121.89 3mtj h ASP 195 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3mtj h ASP 195 Cb 0.08 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3mtj h ASP 195 CO -0.01 0.16 0.00 0.16 -1.72 0.00 0.00 179.24 177.83 3mtj h ILE 196 N -0.92 0.00 -0.02 0.35 3.07 -1.15 -2.91 117.51 115.93 3mtj h ILE 196 Ca -0.03 -0.36 0.00 0.00 1.55 0.00 0.00 64.86 66.02 3mtj h ILE 196 Cb 0.21 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.96 3mtj h ILE 196 CO 0.05 0.00 -0.27 -0.62 -1.05 0.00 0.00 178.15 176.26 3mtj n GLU 197 N -2.39 1.58 -0.92 0.16 -0.58 -0.22 -0.69 120.64 117.60 3mtj n GLU 197 Ca 0.03 -1.27 0.00 0.00 -0.42 0.00 0.00 57.16 55.50 3mtj n GLU 197 Cb 0.30 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 3mtj n GLU 197 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mtj n GLY 198 N 1.38 0.56 0.07 0.62 0.00 -1.10 -3.28 105.19 103.43 3mtj n GLY 198 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3mtj n GLY 198 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mtj h ILE 199 N 0.00 1.37 -0.01 -0.61 2.04 -1.60 -0.98 117.51 117.72 3mtj h ILE 199 Ca 0.00 -1.16 0.02 0.00 1.00 0.00 0.00 64.86 64.73 3mtj h ILE 199 Cb 0.00 2.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 3mtj h ILE 199 CO 0.00 0.31 -0.14 -0.78 0.00 0.00 0.00 178.15 177.54 3mtj h ASP 200 N -0.37 -0.41 -0.73 1.72 1.82 -1.27 -0.30 116.42 116.88 3mtj h ASP 200 Ca 0.01 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.81 3mtj h ASP 200 Cb 0.52 0.18 -0.05 0.00 0.68 0.00 0.00 39.33 40.66 3mtj h ASP 200 CO 0.01 -0.19 0.48 0.00 -1.61 0.00 0.00 179.24 177.93 3mtj h ALA 201 N 0.73 1.87 0.00 -0.78 0.00 -1.77 -2.05 119.26 117.26 3mtj h ALA 201 Ca 0.05 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3mtj h ALA 201 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3mtj h ALA 201 CO -0.15 -0.03 -0.72 0.00 0.00 0.00 0.00 179.25 178.36 3mtj h ALA 202 N 1.63 0.76 0.14 0.00 0.00 -0.29 0.82 119.26 122.31 3mtj h ALA 202 Ca 0.34 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3mtj h ALA 202 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mtj h ALA 202 CO -0.12 0.90 -0.09 0.45 0.00 0.00 0.00 179.25 180.39 3mtj h HIS 203 N 0.00 -0.23 -0.46 0.00 -0.00 -0.40 -1.99 115.15 112.07 3mtj h HIS 203 Ca -0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 3mtj h HIS 203 Cb 1.31 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.79 3mtj h HIS 203 CO 0.00 -0.14 0.10 0.87 -0.00 0.00 0.00 177.93 178.76 3mtj h LYS 204 N -0.23 0.74 -0.70 2.45 1.57 -1.31 -2.77 116.57 116.33 3mtj h LYS 204 Ca -0.01 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3mtj h LYS 204 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3mtj h LYS 204 CO 0.01 0.74 0.39 1.25 -0.57 0.00 0.00 179.45 181.26 3mtj h LEU 205 N 0.61 0.88 -0.57 2.94 5.85 -0.84 -0.51 115.31 123.67 3mtj h LEU 205 Ca 0.14 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3mtj h LEU 205 Cb 0.34 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3mtj h LEU 205 CO 0.00 0.72 0.15 0.74 -0.34 0.00 0.00 178.44 179.71 3mtj h THR 206 N 0.97 0.70 -0.32 1.05 2.02 -1.22 0.22 112.91 116.33 3mtj h THR 206 Ca 0.25 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3mtj h THR 206 Cb 0.03 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3mtj h THR 206 CO -0.04 0.05 0.15 0.40 0.37 0.00 0.00 175.52 176.45 3mtj h ILE 207 N 0.29 1.17 -0.95 3.11 2.04 -1.15 -1.76 117.51 120.27 3mtj h ILE 207 Ca 0.29 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3mtj h ILE 207 Cb 0.40 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3mtj h ILE 207 CO -0.35 0.17 0.63 -0.07 0.00 0.00 0.00 178.15 178.53 3mtj h LEU 208 N 0.38 1.08 -0.66 1.44 3.38 -0.35 -2.48 115.31 118.10 3mtj h LEU 208 Ca 0.11 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3mtj h LEU 208 Cb 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3mtj h LEU 208 CO -0.01 0.78 -0.06 0.77 0.09 0.00 0.00 178.44 180.01 3mtj h SER 209 N 1.27 0.97 -0.89 -0.43 4.64 -0.41 0.24 113.55 118.95 3mtj h SER 209 Ca 0.35 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3mtj h SER 209 Cb -0.13 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.65 3mtj h SER 209 CO -0.08 1.06 0.47 0.00 -0.87 0.00 0.00 176.83 177.41 3mtj h ALA 210 N 1.03 1.15 0.14 5.18 0.00 -0.87 -1.92 119.26 123.96 3mtj h ALA 210 Ca 0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 54.91 54.62 3mtj h ALA 210 Cb 0.60 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3mtj h ALA 210 CO 0.04 0.67 -1.48 0.82 0.00 0.00 0.00 179.25 179.30 3mtj h ILE 211 N 1.26 1.22 -0.30 0.00 1.08 -1.36 -0.58 117.51 118.82 3mtj h ILE 211 Ca 0.31 -2.83 -0.02 0.00 -0.39 0.00 0.00 64.86 61.93 3mtj h ILE 211 Cb 0.05 2.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.61 3mtj h ILE 211 CO -0.05 0.84 0.11 0.00 -0.69 0.00 0.00 178.15 178.35 3mtj h ALA 212 N 0.46 0.39 -0.01 1.87 0.00 -0.92 -3.34 119.26 117.71 3mtj h ALA 212 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3mtj h ALA 212 Cb 2.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3mtj h ALA 212 CO 0.18 0.01 -0.10 1.19 0.00 0.00 0.00 179.25 180.53 3mtj n PHE 213 N -4.71 0.00 -3.43 0.00 3.72 -0.73 -4.53 117.46 107.78 3mtj n PHE 213 Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 3mtj n PHE 213 Cb 0.15 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.78 3mtj n PHE 213 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mtj n GLY 214 N 0.87 -0.37 3.46 1.37 0.00 -0.25 -4.78 105.19 105.48 3mtj n GLY 214 Ca 0.07 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3mtj n GLY 214 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3mtj s ILE 215 N -3.35 2.16 0.00 -0.61 -4.36 -1.05 -0.96 121.20 113.03 3mtj s ILE 215 Ca 0.10 -2.28 0.00 0.00 -0.26 0.00 0.00 60.65 58.21 3mtj s ILE 215 Cb -0.05 -2.35 0.00 0.00 1.25 0.00 0.00 42.46 41.32 3mtj s ILE 215 CO 0.71 -0.38 0.00 -2.65 0.24 0.00 0.00 174.94 172.86 3mtj n PRO 216 N -0.61 0.00 0.00 0.37 -0.02 -1.26 -4.51 135.00 128.98 3mtj n PRO 216 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3mtj n PRO 216 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3mtj n PRO 216 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3mtj n GLN 218 N 0.00 0.00 -0.31 -0.52 6.02 -1.26 -4.70 117.38 116.61 3mtj n GLN 218 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3mtj n GLN 218 Cb 0.00 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.43 3mtj n GLN 218 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3mtj h PHE 219 N 0.00 0.94 -0.18 1.08 3.57 -1.95 -1.08 116.94 119.32 3mtj h PHE 219 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3mtj h PHE 219 Cb 0.00 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3mtj h PHE 219 CO 0.00 0.42 0.23 0.93 -2.23 0.00 0.00 178.31 177.66 3mtj h GLU 220 N 0.88 0.00 -0.01 1.11 3.07 -1.98 -1.03 114.58 116.61 3mtj h GLU 220 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 3mtj h GLU 220 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3mtj h GLU 220 CO -0.22 0.00 -0.25 0.54 -1.40 0.00 0.00 179.01 177.67 3mtj n ARG 221 N -3.67 1.28 -2.42 2.33 1.74 -0.41 -4.90 116.66 110.61 3mtj n ARG 221 Ca 0.02 -0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 55.78 3mtj n ARG 221 Cb 0.35 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.27 3mtj n ARG 221 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mtj s ALA 222 N -2.35 3.41 -0.02 7.54 0.00 -0.39 -4.86 121.76 125.09 3mtj s ALA 222 Ca 0.25 0.90 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 3mtj s ALA 222 Cb 0.19 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 3mtj s ALA 222 CO 0.48 -0.34 0.91 -0.47 0.00 0.00 0.00 175.76 176.34 3mtj s TYR 223 N 0.05 3.64 -0.02 0.00 5.04 -0.34 -4.98 117.35 120.75 3mtj s TYR 223 Ca 0.53 1.59 0.02 0.00 -2.44 0.00 0.00 57.07 56.77 3mtj s TYR 223 Cb -0.31 -3.04 0.00 0.00 0.35 0.00 0.00 41.96 38.95 3mtj s TYR 223 CO 0.35 0.02 -0.08 0.95 -1.34 0.00 0.00 175.55 175.44 3mtj s THR 224 N 0.95 0.70 -0.05 4.34 -4.23 -1.25 0.92 115.64 117.01 3mtj s THR 224 Ca 0.48 -0.34 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 3mtj s THR 224 Cb -0.20 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.04 3mtj s THR 224 CO 0.26 0.22 0.14 -0.70 -0.54 0.00 0.00 174.62 173.99 3mtj s GLU 225 N 0.08 0.15 0.00 3.99 2.12 0.34 -4.96 118.70 120.42 3mtj s GLU 225 Ca -0.01 0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.54 3mtj s GLU 225 Cb -0.07 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3mtj s GLU 225 CO 0.00 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3mtj n GLY 226 N 3.20 1.74 0.12 -1.50 0.00 -1.21 -3.95 105.19 103.60 3mtj n GLY 226 Ca -0.15 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.89 3mtj n GLY 226 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3mtj n ILE 227 N -0.48 0.00 0.28 -0.61 -5.35 0.14 -4.54 119.36 108.79 3mtj n ILE 227 Ca 0.00 -0.24 0.12 0.00 -0.27 0.00 0.00 62.75 62.36 3mtj n ILE 227 Cb 0.00 1.06 0.57 0.00 -1.74 0.00 0.00 39.64 39.54 3mtj n ILE 227 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3mtj h SER 228 N 0.59 0.00 0.11 7.28 4.64 -1.98 -1.57 113.55 122.62 3mtj h SER 228 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mtj h SER 228 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3mtj h SER 228 CO 0.00 0.00 -0.18 0.00 -0.87 0.00 0.00 176.83 175.78 3mtj n GLN 229 N -2.31 1.26 -2.55 4.77 1.13 -1.26 -4.93 117.38 113.49 3mtj n GLN 229 Ca 0.00 -0.81 -0.41 0.00 -1.94 0.00 0.00 57.00 53.84 3mtj n GLN 229 Cb 0.13 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 28.96 3mtj n GLN 229 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3mtj s LEU 230 N -2.30 4.48 0.34 1.08 2.96 -0.59 -5.05 118.68 119.60 3mtj s LEU 230 Ca 0.28 2.02 0.07 0.00 -0.22 0.00 0.00 54.13 56.29 3mtj s LEU 230 Cb 0.20 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 3mtj s LEU 230 CO 0.45 -0.21 0.29 0.42 -1.32 0.00 0.00 176.35 175.98 3mtj s THR 231 N -0.05 3.52 0.24 3.68 -4.23 -1.26 -4.61 115.64 112.93 3mtj s THR 231 Ca 0.50 -1.37 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 3mtj s THR 231 Cb -0.28 -3.18 0.21 0.00 1.34 0.00 0.00 72.50 70.59 3mtj s THR 231 CO 0.33 -0.17 1.85 0.03 -0.54 0.00 0.00 174.62 176.12 3mtj h ARG 232 N 1.24 0.94 -0.84 3.99 3.08 -1.92 -2.57 114.38 118.30 3mtj h ARG 232 Ca -0.45 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.57 3mtj h ARG 232 Cb 1.25 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 31.05 3mtj h ARG 232 CO 0.58 0.62 0.55 0.93 -1.07 0.00 0.00 179.97 181.58 3mtj h GLU 233 N 0.96 1.06 -0.19 0.04 3.07 -1.95 -1.91 114.58 115.66 3mtj h GLU 233 Ca 0.37 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 59.16 3mtj h GLU 233 Cb 0.15 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3mtj h GLU 233 CO -0.17 0.70 0.10 -0.44 -1.40 0.00 0.00 179.01 177.81 3mtj h ASP 234 N 1.09 0.23 -0.61 1.42 3.32 -1.87 0.26 116.42 120.27 3mtj h ASP 234 Ca 0.32 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3mtj h ASP 234 Cb -0.05 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3mtj h ASP 234 CO -0.09 0.25 0.38 0.58 -1.72 0.00 0.00 179.24 178.64 3mtj h VAL 235 N 0.20 1.17 -0.22 -1.35 2.07 -1.36 -0.81 116.25 115.94 3mtj h VAL 235 Ca 0.07 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3mtj h VAL 235 Cb 0.07 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3mtj h VAL 235 CO -0.01 0.17 -0.16 -0.09 0.02 0.00 0.00 177.57 177.51 3mtj h ARG 236 N 0.83 0.49 -0.70 1.57 2.43 -1.04 -2.02 114.38 115.94 3mtj h ARG 236 Ca 0.22 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3mtj h ARG 236 Cb -0.05 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3mtj h ARG 236 CO -0.04 0.80 0.43 1.88 -1.51 0.00 0.00 179.97 181.52 3mtj h TYR 237 N 0.19 0.93 -0.70 2.20 0.05 -0.42 -1.31 116.97 117.91 3mtj h TYR 237 Ca 0.04 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.82 3mtj h TYR 237 Cb 0.68 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 3mtj h TYR 237 CO 0.07 0.62 0.44 0.00 -1.05 0.00 0.00 178.16 178.24 3mtj h ALA 238 N 1.22 0.89 -0.19 3.88 0.00 -1.12 -0.52 119.26 123.41 3mtj h ALA 238 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3mtj h ALA 238 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3mtj h ALA 238 CO -0.05 0.34 0.05 1.49 0.00 0.00 0.00 179.25 181.08 3mtj h GLU 239 N 0.95 0.13 0.00 0.00 4.57 -1.09 0.12 114.58 119.26 3mtj h GLU 239 Ca 0.25 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3mtj h GLU 239 Cb -0.06 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3mtj h GLU 239 CO -0.05 0.09 -0.24 0.93 -1.18 0.00 0.00 179.01 178.56 3mtj h GLU 240 N 0.13 0.00 -0.01 1.92 5.08 -0.87 -2.70 114.58 118.13 3mtj h GLU 240 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3mtj h GLU 240 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3mtj h GLU 240 CO -0.10 0.24 -0.15 1.28 -1.00 0.00 0.00 179.01 179.27 3mtj n LEU 241 N -3.97 0.83 0.00 1.33 4.77 -0.24 -4.94 117.00 114.79 3mtj n LEU 241 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3mtj n LEU 241 Cb 0.32 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3mtj n LEU 241 CO 0.35 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3mtj n GLY 242 N 1.28 1.03 3.27 -0.72 0.00 -0.88 -5.06 105.19 104.11 3mtj n GLY 242 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 3mtj n GLY 242 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mtj s TYR 243 N -2.00 1.49 0.14 1.61 2.02 0.38 -0.77 117.35 120.22 3mtj s TYR 243 Ca 0.00 -0.56 0.07 0.00 -0.37 0.00 0.00 57.07 56.21 3mtj s TYR 243 Cb 0.00 -0.76 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3mtj s TYR 243 CO 0.00 0.19 -0.06 1.03 -1.57 0.00 0.00 175.55 175.14 3mtj s ARG 244 N -2.87 2.24 -0.23 -0.62 1.81 0.94 -3.10 118.95 117.11 3mtj s ARG 244 Ca 0.12 -1.08 -0.06 0.00 -1.72 0.00 0.00 55.73 52.99 3mtj s ARG 244 Cb -0.04 -2.32 -0.02 0.00 -0.45 0.00 0.00 34.95 32.12 3mtj s ARG 244 CO 0.04 0.48 0.03 0.42 -0.68 0.00 0.00 175.30 175.59 3mtj s ILE 245 N -1.48 4.04 0.14 1.52 1.01 -1.26 -0.42 121.20 124.75 3mtj s ILE 245 Ca 0.24 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.71 3mtj s ILE 245 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3mtj s ILE 245 CO 0.16 0.37 -0.18 -0.54 0.00 0.00 0.00 174.94 174.76 3mtj s LYS 246 N 1.47 1.17 -0.49 2.79 -0.14 -0.55 -4.84 119.74 119.14 3mtj s LYS 246 Ca 0.05 -1.30 -0.24 0.00 -1.36 0.00 0.00 55.97 53.13 3mtj s LYS 246 Cb -0.15 -1.23 0.03 0.00 -1.68 0.00 0.00 37.83 34.80 3mtj s LYS 246 CO 0.02 0.26 0.88 -1.17 -0.76 0.00 0.00 175.35 174.57 3mtj s LEU 247 N -2.41 4.15 -0.02 3.17 1.98 -1.26 -0.14 118.68 124.15 3mtj s LEU 247 Ca 0.11 -0.16 0.05 0.00 -2.89 0.00 0.00 54.13 51.25 3mtj s LEU 247 Cb -0.07 -2.97 -0.03 0.00 0.66 0.00 0.00 46.19 43.79 3mtj s LEU 247 CO 0.05 -1.07 -0.16 -0.76 -1.89 0.00 0.00 176.35 172.53 3mtj s LEU 248 N 3.64 2.68 -0.22 -0.68 1.43 -0.62 -4.60 118.68 120.32 3mtj s LEU 248 Ca 0.32 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 3mtj s LEU 248 Cb -0.12 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 3mtj s LEU 248 CO 0.22 0.31 0.21 -0.83 0.23 0.00 0.00 176.35 176.50 3mtj s GLY 249 N -0.98 2.04 -0.13 -3.19 0.00 -0.40 -1.94 107.32 102.72 3mtj s GLY 249 Ca 0.13 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.14 3mtj s GLY 249 CO 0.02 0.42 -0.21 -0.42 0.00 0.00 0.00 173.10 172.91 3mtj s ILE 250 N 0.89 2.21 -0.13 0.90 1.01 0.83 -0.81 121.20 126.10 3mtj s ILE 250 Ca 0.11 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.83 3mtj s ILE 250 Cb -0.13 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.48 3mtj s ILE 250 CO 0.04 0.55 -0.17 0.00 0.00 0.00 0.00 174.94 175.35 3mtj s ALA 251 N 0.62 1.95 -0.12 9.38 0.00 -0.94 -1.51 121.76 131.13 3mtj s ALA 251 Ca -0.11 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 3mtj s ALA 251 Cb -0.16 -0.95 0.04 0.00 0.00 0.00 0.00 23.12 22.04 3mtj s ALA 251 CO 0.03 -0.14 0.32 0.50 0.00 0.00 0.00 175.76 176.46 3mtj s ARG 252 N 1.05 0.35 -0.24 0.00 3.52 -0.79 -1.17 118.95 121.67 3mtj s ARG 252 Ca -0.04 0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.77 3mtj s ARG 252 Cb -0.15 0.12 -0.00 0.00 -1.56 0.00 0.00 34.95 33.36 3mtj s ARG 252 CO -0.04 -0.07 1.23 1.03 -0.81 0.00 0.00 175.30 176.63 3mtj s ARG 253 N 0.46 4.09 0.47 5.12 0.52 -0.46 -0.39 118.95 128.76 3mtj s ARG 253 Ca -0.02 1.40 0.06 0.00 -0.52 0.00 0.00 55.73 56.64 3mtj s ARG 253 Cb -0.04 -3.79 0.06 0.00 0.52 0.00 0.00 34.95 31.69 3mtj s ARG 253 CO -0.02 -0.88 0.46 0.00 0.02 0.00 0.00 175.30 174.87 3mtj n ALA 254 N 7.00 0.82 -0.05 2.13 0.00 0.21 -4.95 120.51 125.67 3mtj n ALA 254 Ca 0.14 -1.81 -0.09 0.00 0.00 0.00 0.00 53.44 51.68 3mtj n ALA 254 Cb 0.46 0.66 -0.02 0.00 0.00 0.00 0.00 19.45 20.55 3mtj n ALA 254 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3mtj h GLU 255 N 0.00 0.20 -0.21 0.00 4.39 -1.99 -3.23 114.58 113.75 3mtj h GLU 255 Ca -0.27 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.42 3mtj h GLU 255 Cb 1.05 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3mtj h GLU 255 CO 0.41 0.13 0.00 0.09 -1.16 0.00 0.00 179.01 178.48 3mtj n ASN 256 N -5.01 2.50 0.00 1.42 3.02 -1.26 -5.07 115.26 110.85 3mtj n ASN 256 Ca -0.02 -1.86 0.00 0.00 -0.03 0.00 0.00 54.58 52.66 3mtj n ASN 256 Cb 0.07 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3mtj n ASN 256 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mtj n GLY 257 N 0.32 -1.23 3.53 7.41 0.00 -1.22 -4.73 105.19 109.27 3mtj n GLY 257 Ca 0.08 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 3mtj n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mtj s ILE 258 N -3.00 4.04 0.10 -0.61 1.01 0.14 0.67 121.20 123.56 3mtj s ILE 258 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 3mtj s ILE 258 Cb 0.00 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.63 3mtj s ILE 258 CO 0.00 0.49 0.90 -1.61 0.00 0.00 0.00 174.94 174.72 3mtj s GLU 259 N 0.30 4.64 -0.26 2.79 2.02 0.48 -0.00 118.70 128.67 3mtj s GLU 259 Ca -0.02 1.33 -0.04 0.00 0.02 0.00 0.00 54.97 56.26 3mtj s GLU 259 Cb -0.14 -3.36 0.10 0.00 0.10 0.00 0.00 34.13 30.82 3mtj s GLU 259 CO 0.02 0.26 0.15 -1.17 0.02 0.00 0.00 175.26 174.55 3mtj s LEU 260 N -0.12 0.34 -0.17 1.80 2.96 -1.25 -1.89 118.68 120.35 3mtj s LEU 260 Ca 0.44 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 53.21 3mtj s LEU 260 Cb -0.23 -0.15 0.05 0.00 0.50 0.00 0.00 46.19 46.36 3mtj s LEU 260 CO 0.28 -0.41 0.44 0.00 -1.32 0.00 0.00 176.35 175.34 3mtj s ARG 261 N 2.16 0.49 -0.11 1.98 1.70 -0.57 -1.19 118.95 123.41 3mtj s ARG 261 Ca 0.07 0.66 0.03 0.00 -0.47 0.00 0.00 55.73 56.02 3mtj s ARG 261 Cb -0.16 0.19 0.01 0.00 -0.57 0.00 0.00 34.95 34.42 3mtj s ARG 261 CO -0.29 -0.08 -0.22 0.08 -1.08 0.00 0.00 175.30 173.72 3mtj s VAL 262 N 0.50 1.92 0.00 4.99 1.01 0.26 -0.12 120.40 128.96 3mtj s VAL 262 Ca -0.02 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 3mtj s VAL 262 Cb -0.04 -1.68 0.10 0.00 0.00 0.00 0.00 36.38 34.75 3mtj s VAL 262 CO -0.03 0.53 0.84 -1.38 0.00 0.00 0.00 175.10 175.06 3mtj s HIS 263 N 0.57 -0.40 0.37 5.22 -3.43 -0.82 -0.50 115.29 116.30 3mtj s HIS 263 Ca -0.14 0.32 -0.28 0.00 -0.80 0.00 0.00 55.06 54.17 3mtj s HIS 263 Cb -0.17 0.53 -0.11 0.00 -1.43 0.00 0.00 32.58 31.39 3mtj s HIS 263 CO 0.04 -0.58 1.43 -0.35 -2.00 0.00 0.00 174.74 173.29 3mtj n PRO 264 N -0.10 2.52 -3.75 -0.38 -0.04 -1.26 -1.58 135.00 130.40 3mtj n PRO 264 Ca -0.11 0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 64.11 3mtj n PRO 264 Cb 0.62 -2.58 -0.11 0.00 -0.04 0.00 0.00 33.50 31.39 3mtj n PRO 264 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3mtj s THR 265 N -1.11 0.00 -0.11 0.52 -1.32 0.81 -3.54 115.64 110.88 3mtj s THR 265 Ca 0.54 -0.02 -0.26 0.00 -1.21 0.00 0.00 61.69 60.74 3mtj s THR 265 Cb -0.50 -0.50 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 3mtj s THR 265 CO 0.63 -0.01 0.85 -0.76 -2.21 0.00 0.00 174.62 173.13 3mtj s LEU 266 N 0.12 4.25 -0.06 9.08 1.02 0.69 -1.49 118.68 132.29 3mtj s LEU 266 Ca -0.01 1.31 0.05 0.00 0.02 0.00 0.00 54.13 55.50 3mtj s LEU 266 Cb -0.03 -3.30 -0.01 0.00 0.02 0.00 0.00 46.19 42.87 3mtj s LEU 266 CO 0.01 -0.32 -0.22 -0.63 0.02 0.00 0.00 176.35 175.20 3mtj s ILE 267 N 1.65 1.85 0.27 -0.59 1.01 0.44 -0.99 121.20 124.84 3mtj s ILE 267 Ca 0.42 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 3mtj s ILE 267 Cb -0.18 -1.58 -0.14 0.00 0.01 0.00 0.00 42.46 40.57 3mtj s ILE 267 CO 0.17 0.52 1.21 -2.65 0.00 0.00 0.00 174.94 174.19 3mtj n PRO 268 N 3.15 1.72 0.31 2.79 -0.02 -1.26 -0.04 135.00 141.65 3mtj n PRO 268 Ca -0.18 0.61 0.20 0.00 -2.02 0.00 0.00 63.50 62.10 3mtj n PRO 268 Cb 0.52 -2.13 1.00 0.00 -0.02 0.00 0.00 33.50 32.88 3mtj n PRO 268 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3mtj h GLU 269 N 2.91 0.00 0.00 -0.52 4.11 -1.25 -2.65 114.58 117.18 3mtj h GLU 269 Ca -0.43 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.92 3mtj h GLU 269 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3mtj h GLU 269 CO 0.66 0.01 -0.35 0.07 0.07 0.00 0.00 179.01 179.47 3mtj h ARG 270 N 0.00 0.00 -6.89 1.06 0.11 -1.89 -3.44 114.38 103.33 3mtj h ARG 270 Ca -0.00 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.55 3mtj h ARG 270 Cb 0.19 0.00 0.08 0.00 1.11 0.00 0.00 29.97 31.35 3mtj h ARG 270 CO 0.00 0.35 0.69 1.03 0.10 0.00 0.00 179.97 182.14 3mtj s ARG 271 N -4.11 4.28 0.20 0.08 1.81 -1.00 -4.93 118.95 115.27 3mtj s ARG 271 Ca -0.02 2.33 -0.11 0.00 -1.72 0.00 0.00 55.73 56.20 3mtj s ARG 271 Cb 0.14 -3.04 0.15 0.00 -0.45 0.00 0.00 34.95 31.75 3mtj s ARG 271 CO 0.71 -0.31 1.84 -0.07 -0.68 0.00 0.00 175.30 176.79 3mtj h LEU 272 N 3.35 0.66 -1.90 2.53 3.38 -1.91 -2.26 115.31 119.17 3mtj h LEU 272 Ca -0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.46 3mtj h LEU 272 Cb 1.23 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3mtj h LEU 272 CO 0.66 0.46 -0.07 -0.29 0.09 0.00 0.00 178.44 179.29 3mtj h ILE 273 N 0.79 1.00 0.00 1.22 2.10 -1.96 -1.31 117.51 119.35 3mtj h ILE 273 Ca 0.25 -0.25 -0.03 0.00 1.08 0.00 0.00 64.86 65.92 3mtj h ILE 273 Cb 0.00 1.14 -0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3mtj h ILE 273 CO -0.10 0.07 -0.12 0.00 -1.08 0.00 0.00 178.15 176.92 3mtj h ALA 274 N 1.93 1.17 -0.55 0.18 0.00 -1.69 -2.77 119.26 117.53 3mtj h ALA 274 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3mtj h ALA 274 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3mtj h ALA 274 CO 0.01 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.50 3mtj n ASN 275 N -3.48 4.59 -4.47 0.00 3.02 -0.50 -4.87 115.26 109.55 3mtj n ASN 275 Ca -0.01 -2.56 -0.43 0.00 -0.03 0.00 0.00 54.58 51.55 3mtj n ASN 275 Cb 0.28 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 3mtj n ASN 275 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mtj s VAL 276 N -2.04 4.27 0.45 2.41 1.01 -1.05 -5.01 120.40 120.44 3mtj s VAL 276 Ca 0.47 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.14 3mtj s VAL 276 Cb 0.32 -4.74 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3mtj s VAL 276 CO 0.20 -1.53 0.28 -1.81 0.00 0.00 0.00 175.10 172.24 3mtj s ASP 277 N 3.73 4.62 0.48 3.32 1.01 -1.26 -4.97 116.67 123.59 3mtj s ASP 277 Ca 0.25 -1.07 0.00 0.00 0.71 0.00 0.00 52.55 52.44 3mtj s ASP 277 Cb -0.14 -0.21 0.00 0.00 1.01 0.00 0.00 42.92 43.58 3mtj s ASP 277 CO 0.08 -0.74 0.00 0.61 0.21 0.00 0.00 175.17 175.33 3mtj n GLY 278 N -1.46 1.38 3.44 0.21 0.00 -1.26 -4.91 105.19 102.58 3mtj n GLY 278 Ca -0.01 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 3mtj n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mtj s ALA 279 N -1.91 3.85 0.07 4.61 0.00 -1.26 -1.73 121.76 125.39 3mtj s ALA 279 Ca 0.00 -3.19 -0.18 0.00 0.00 0.00 0.00 51.96 48.59 3mtj s ALA 279 Cb 0.00 -4.01 0.04 0.00 0.00 0.00 0.00 23.12 19.15 3mtj s ALA 279 CO 0.00 -2.76 0.42 -0.80 0.00 0.00 0.00 175.76 172.61 3mtj s ASN 281 N 2.94 -0.28 -0.19 0.00 -0.87 0.10 -4.22 114.94 112.43 3mtj s ASN 281 Ca 0.36 -0.09 -0.17 0.00 -1.57 0.00 0.00 52.86 51.39 3mtj s ASN 281 Cb -0.05 0.45 0.05 0.00 -0.02 0.00 0.00 41.25 41.68 3mtj s ASN 281 CO -0.05 -0.73 0.49 0.00 -2.57 0.00 0.00 177.10 174.25 3mtj s ALA 282 N -2.91 -1.22 -0.14 0.60 0.00 0.18 -1.85 121.76 116.42 3mtj s ALA 282 Ca -0.03 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.35 3mtj s ALA 282 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.32 3mtj s ALA 282 CO -0.05 -0.23 -0.20 0.08 0.00 0.00 0.00 175.76 175.35 3mtj s VAL 283 N 0.27 1.95 -0.25 0.00 1.01 -0.28 -0.30 120.40 122.81 3mtj s VAL 283 Ca -0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 3mtj s VAL 283 Cb -0.03 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3mtj s VAL 283 CO 0.01 0.53 0.15 -0.22 0.00 0.00 0.00 175.10 175.57 3mtj s LEU 284 N 0.90 4.00 -0.11 3.92 2.96 0.64 -1.53 118.68 129.46 3mtj s LEU 284 Ca -0.06 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3mtj s LEU 284 Cb -0.15 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.46 3mtj s LEU 284 CO -0.03 0.03 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.12 3mtj s VAL 285 N 1.24 1.97 -0.37 1.68 1.01 0.86 -0.47 120.40 126.31 3mtj s VAL 285 Ca 0.07 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3mtj s VAL 285 Cb -0.14 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.57 3mtj s VAL 285 CO 0.06 0.54 0.17 -0.75 0.00 0.00 0.00 175.10 175.12 3mtj s LYS 286 N 0.49 2.66 0.16 2.72 2.47 0.56 -0.09 119.74 128.70 3mtj s LYS 286 Ca -0.16 -1.24 0.05 0.00 -1.56 0.00 0.00 55.97 53.07 3mtj s LYS 286 Cb -0.17 -3.62 -0.04 0.00 -1.46 0.00 0.00 37.83 32.54 3mtj s LYS 286 CO 0.06 -0.76 0.13 0.20 0.16 0.00 0.00 175.35 175.14 3mtj s GLY 287 N 1.63 1.73 0.20 5.54 0.00 -0.84 -0.00 107.32 115.58 3mtj s GLY 287 Ca 0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.49 3mtj s GLY 287 CO 0.04 -1.22 1.53 1.29 0.00 0.00 0.00 173.10 174.74 3mtj h ASP 288 N 2.46 0.57 0.14 1.64 2.03 -1.41 -0.88 116.42 120.97 3mtj h ASP 288 Ca -0.48 -0.29 -0.29 0.00 -0.73 0.00 0.00 57.03 55.24 3mtj h ASP 288 Cb 1.20 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 3mtj h ASP 288 CO 0.63 0.99 -1.47 0.00 -1.03 0.00 0.00 179.24 178.36 3mtj h ALA 289 N 1.03 0.14 0.00 4.15 0.00 -1.87 -3.39 119.26 119.31 3mtj h ALA 289 Ca 0.01 -1.06 -0.06 0.00 0.00 0.00 0.00 54.91 53.80 3mtj h ALA 289 Cb 1.04 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3mtj h ALA 289 CO 0.10 0.84 -1.20 1.55 0.00 0.00 0.00 179.25 180.54 3mtj n VAL 290 N -3.84 0.81 -3.35 0.00 3.14 -1.24 -5.08 118.33 108.78 3mtj n VAL 290 Ca -0.24 -0.60 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 3mtj n VAL 290 Cb 0.95 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 33.26 3mtj n VAL 290 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3mtj n GLY 291 N 1.26 -1.24 3.72 7.55 0.00 -0.34 -4.84 105.19 111.30 3mtj n GLY 291 Ca -0.04 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 3mtj n GLY 291 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mtj s PRO 292 N 0.00 4.54 0.08 1.61 0.04 -1.26 -1.98 135.00 138.03 3mtj s PRO 292 Ca 0.00 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.69 3mtj s PRO 292 Cb 0.00 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 3mtj s PRO 292 CO 0.00 -0.06 -0.17 0.95 0.04 0.00 0.00 177.00 177.76 3mtj s THR 293 N 0.69 1.36 -0.03 1.26 -4.23 0.87 -4.97 115.64 110.58 3mtj s THR 293 Ca 0.53 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.71 3mtj s THR 293 Cb -0.26 -1.26 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 3mtj s THR 293 CO 0.30 -0.13 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.90 3mtj s LEU 294 N -1.73 1.85 -0.15 4.79 0.20 -1.26 -0.10 118.68 122.28 3mtj s LEU 294 Ca 0.02 -0.26 0.02 0.00 0.69 0.00 0.00 54.13 54.60 3mtj s LEU 294 Cb -0.10 -0.74 0.01 0.00 -0.43 0.00 0.00 46.19 44.94 3mtj s LEU 294 CO 0.03 0.11 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.68 3mtj s TYR 295 N 0.11 2.62 0.02 5.38 2.02 -0.58 -5.00 117.35 121.91 3mtj s TYR 295 Ca -0.03 -1.40 0.03 0.00 -0.37 0.00 0.00 57.07 55.30 3mtj s TYR 295 Cb -0.10 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 3mtj s TYR 295 CO 0.01 -0.66 -0.10 -0.47 -1.57 0.00 0.00 175.55 172.76 3mtj s TYR 296 N 1.00 0.85 -3.02 2.71 5.04 -1.26 -1.12 117.35 121.54 3mtj s TYR 296 Ca -0.03 -0.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 3mtj s TYR 296 Cb -0.15 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.64 3mtj s TYR 296 CO -0.06 -0.01 0.00 0.41 -1.34 0.00 0.00 175.55 174.55 3mtj n GLY 297 N 2.35 -0.81 3.75 8.97 0.00 -0.77 -4.97 105.19 113.70 3mtj n GLY 297 Ca -0.16 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 3mtj n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mtj s ALA 298 N -1.00 3.38 -1.27 4.61 0.00 -1.26 0.02 121.76 126.23 3mtj s ALA 298 Ca 0.00 0.82 0.11 0.00 0.00 0.00 0.00 51.96 52.89 3mtj s ALA 298 Cb 0.00 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.95 3mtj s ALA 298 CO 0.00 -0.10 0.95 0.41 0.00 0.00 0.00 175.76 177.02 3mtj n GLY 299 N 1.50 0.43 0.00 0.00 0.00 -1.26 -2.98 105.19 102.88 3mtj n GLY 299 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3mtj n GLY 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mtj n ALA 300 N 0.60 0.00 0.00 4.61 0.00 -1.26 -2.22 120.51 122.23 3mtj n ALA 300 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3mtj n ALA 300 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3mtj n ALA 300 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtj n GLY 301 N 0.00 0.85 0.13 0.00 0.00 -1.26 -4.57 105.19 100.34 3mtj n GLY 301 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 46.02 44.24 3mtj n GLY 301 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3mtj h SER 302 N 0.00 -0.41 0.77 1.61 0.87 -1.97 -2.36 113.55 112.06 3mtj h SER 302 Ca 0.00 0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 60.35 3mtj h SER 302 Cb 0.00 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3mtj h SER 302 CO 0.00 -0.16 -1.18 -0.33 -0.53 0.00 0.00 176.83 174.62 3mtj h GLU 303 N -0.23 0.15 -0.84 2.24 5.08 -1.90 -1.76 114.58 117.31 3mtj h GLU 303 Ca -0.01 -0.25 0.04 0.00 -1.00 0.00 0.00 59.36 58.14 3mtj h GLU 303 Cb 0.22 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 3mtj h GLU 303 CO -0.05 1.09 0.54 -1.35 -1.00 0.00 0.00 179.01 178.23 3mtj h PRO 304 N 0.04 1.01 -0.25 2.33 0.11 -1.82 0.77 132.00 134.18 3mtj h PRO 304 Ca -0.10 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.85 3mtj h PRO 304 Cb 1.89 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.77 3mtj h PRO 304 CO 0.16 0.67 -0.26 1.15 -0.21 0.00 0.00 178.00 179.51 3mtj h THR 305 N 1.04 1.31 -0.91 -1.15 2.02 -1.28 -2.88 112.91 111.05 3mtj h THR 305 Ca 0.34 -1.42 0.08 0.00 0.77 0.00 0.00 66.41 66.17 3mtj h THR 305 Cb 0.03 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.03 3mtj h THR 305 CO -0.12 0.45 0.57 0.00 0.37 0.00 0.00 175.52 176.78 3mtj h ALA 306 N 0.68 1.28 -0.74 6.16 0.00 -1.13 -1.34 119.26 124.16 3mtj h ALA 306 Ca 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3mtj h ALA 306 Cb 0.82 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3mtj h ALA 306 CO 0.06 0.29 0.38 1.03 0.00 0.00 0.00 179.25 181.01 3mtj h SER 307 N 1.00 0.49 0.12 0.00 0.87 -0.64 -0.13 113.55 115.27 3mtj h SER 307 Ca 0.41 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.84 3mtj h SER 307 Cb 0.24 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 3mtj h SER 307 CO -0.20 0.27 -0.73 0.00 -0.53 0.00 0.00 176.83 175.64 3mtj h ALA 308 N 1.45 0.51 -0.37 6.23 0.00 -1.24 -2.13 119.26 123.73 3mtj h ALA 308 Ca 0.37 -0.60 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3mtj h ALA 308 Cb 0.40 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mtj h ALA 308 CO -0.28 0.73 0.22 0.28 0.00 0.00 0.00 179.25 180.20 3mtj h VAL 309 N 0.37 1.05 -0.27 0.00 2.07 -0.52 -2.05 116.25 116.89 3mtj h VAL 309 Ca -0.03 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3mtj h VAL 309 Cb 1.32 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3mtj h VAL 309 CO 0.13 0.08 -0.46 0.58 0.02 0.00 0.00 177.57 177.92 3mtj h VAL 310 N 0.45 1.29 -0.65 2.57 2.07 -1.01 0.69 116.25 121.66 3mtj h VAL 310 Ca 0.14 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.05 3mtj h VAL 310 Cb -0.01 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3mtj h VAL 310 CO -0.06 0.53 0.38 0.00 0.02 0.00 0.00 177.57 178.44 3mtj h ALA 311 N 0.91 0.86 -0.36 1.67 0.00 -1.33 0.10 119.26 121.11 3mtj h ALA 311 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3mtj h ALA 311 Cb 1.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3mtj h ALA 311 CO 0.10 0.08 0.14 -0.44 0.00 0.00 0.00 179.25 179.13 3mtj h ASP 312 N 0.71 0.49 -0.71 0.00 5.19 -0.96 -0.74 116.42 120.41 3mtj h ASP 312 Ca 0.28 -0.17 0.12 0.00 -0.62 0.00 0.00 57.03 56.65 3mtj h ASP 312 Cb 0.12 -0.13 -0.09 0.00 0.18 0.00 0.00 39.33 39.41 3mtj h ASP 312 CO -0.15 0.53 0.28 -0.07 -3.12 0.00 0.00 179.24 176.71 3mtj h LEU 313 N 0.43 0.27 -0.03 1.55 3.38 -0.22 -0.22 115.31 120.48 3mtj h LEU 313 Ca 0.12 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3mtj h LEU 313 Cb 0.19 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3mtj h LEU 313 CO -0.01 0.12 0.01 0.58 0.09 0.00 0.00 178.44 179.24 3mtj h VAL 314 N 0.45 1.15 -0.66 1.22 2.07 -0.50 -1.12 116.25 118.85 3mtj h VAL 314 Ca 0.38 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.53 3mtj h VAL 314 Cb 0.54 1.40 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 3mtj h VAL 314 CO -0.37 0.12 0.32 0.44 0.02 0.00 0.00 177.57 178.10 3mtj h ASP 315 N -0.13 0.42 -0.27 0.57 3.32 -0.57 -0.82 116.42 118.94 3mtj h ASP 315 Ca 0.01 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 3mtj h ASP 315 Cb 0.19 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3mtj h ASP 315 CO -0.00 0.25 -0.08 0.58 -1.72 0.00 0.00 179.24 178.26 3mtj h VAL 316 N 0.56 1.29 -0.51 -1.35 2.07 -1.00 -2.67 116.25 114.64 3mtj h VAL 316 Ca 0.32 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3mtj h VAL 316 Cb 0.32 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3mtj h VAL 316 CO -0.25 0.35 0.30 0.74 0.02 0.00 0.00 177.57 178.74 3mtj h THR 317 N 0.28 1.06 0.02 2.57 2.02 -0.80 0.10 112.91 118.15 3mtj h THR 317 Ca 0.07 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.05 3mtj h THR 317 Cb 0.57 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3mtj h THR 317 CO 0.03 0.11 -0.07 0.03 0.37 0.00 0.00 175.52 175.99 3mtj h ARG 318 N 0.61 -0.13 -0.04 6.66 3.08 -1.06 -2.00 114.38 121.49 3mtj h ARG 318 Ca 0.20 0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.09 3mtj h ARG 318 Cb 0.02 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3mtj h ARG 318 CO -0.09 -0.09 -0.73 -0.07 -1.07 0.00 0.00 179.97 177.92 3mtj h LEU 319 N -0.14 0.31 -0.57 3.04 3.38 -1.30 -0.35 115.31 119.68 3mtj h LEU 319 Ca 0.02 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3mtj h LEU 319 Cb 0.16 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3mtj h LEU 319 CO -0.06 0.93 0.26 -0.74 0.09 0.00 0.00 178.44 178.92 3mtj h HIS 320 N 0.17 0.46 0.00 1.13 2.76 -0.92 -0.15 115.15 118.61 3mtj h HIS 320 Ca -0.03 0.03 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 3mtj h HIS 320 Cb 1.30 -0.12 0.01 0.00 1.55 0.00 0.00 27.41 30.14 3mtj h HIS 320 CO 0.03 0.18 -0.40 1.15 -1.30 0.00 0.00 177.93 177.58 3mtj h THR 321 N 0.48 1.50 -0.07 6.26 2.02 -1.10 -3.31 112.91 118.68 3mtj h THR 321 Ca 0.27 -2.02 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 3mtj h THR 321 Cb 0.26 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3mtj h THR 321 CO -0.23 0.57 -0.02 0.00 0.37 0.00 0.00 175.52 176.21 3mtj h ALA 322 N 0.27 0.10 -1.89 6.16 0.00 -1.06 -3.41 119.26 119.43 3mtj h ALA 322 Ca -0.05 -0.21 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 3mtj h ALA 322 Cb 1.15 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3mtj h ALA 322 CO 0.08 -0.18 -1.01 -3.47 0.00 0.00 0.00 179.25 174.67 3mtj n ASP 323 N -4.81 2.25 0.26 0.00 2.03 -0.07 -4.87 116.55 111.34 3mtj n ASP 323 Ca -0.07 -3.21 0.18 0.00 0.52 0.00 0.00 54.79 52.21 3mtj n ASP 323 Cb 0.23 -0.58 0.84 0.00 -0.72 0.00 0.00 41.12 40.89 3mtj n ASP 323 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3mtj h PRO 324 N 2.96 0.00 -0.22 -0.67 0.13 -1.71 -1.68 132.00 130.81 3mtj h PRO 324 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3mtj h PRO 324 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3mtj h PRO 324 CO 0.62 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.11 3mtj n HIS 325 N -2.86 0.28 -3.49 1.56 8.25 -1.26 -4.97 115.22 112.74 3mtj n HIS 325 Ca -0.01 -0.14 -0.18 0.00 -0.26 0.00 0.00 57.72 57.13 3mtj n HIS 325 Cb 0.18 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.36 3mtj n HIS 325 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3mtj n HIS 326 N 0.55 -2.14 0.20 4.41 8.25 -0.63 -4.89 115.22 120.96 3mtj n HIS 326 Ca 0.16 0.90 0.04 0.00 -0.26 0.00 0.00 57.72 58.56 3mtj n HIS 326 Cb 0.38 -4.78 0.41 0.00 1.12 0.00 0.00 29.99 27.12 3mtj n HIS 326 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mtj h ARG 327 N -1.81 0.00 -5.81 -0.41 3.08 -1.94 -3.44 114.38 104.05 3mtj h ARG 327 Ca -0.60 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 58.94 3mtj h ARG 327 Cb 1.34 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.24 3mtj h ARG 327 CO 0.51 0.31 -0.75 0.14 -1.07 0.00 0.00 179.97 179.11 3mtj s VAL 328 N -4.29 1.95 0.35 2.04 -7.23 -1.26 -5.13 120.40 106.83 3mtj s VAL 328 Ca -0.03 -2.21 -0.28 0.00 -1.81 0.00 0.00 61.98 57.66 3mtj s VAL 328 Cb 0.15 -2.08 -0.10 0.00 0.56 0.00 0.00 36.38 34.92 3mtj s VAL 328 CO 0.71 -0.49 1.25 -2.84 -0.31 0.00 0.00 175.10 173.42 3mtj s PRO 329 N -3.44 4.27 -0.20 4.82 0.02 -1.26 -4.97 135.00 134.25 3mtj s PRO 329 Ca 0.23 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 3mtj s PRO 329 Cb -0.03 -2.96 -0.12 0.00 0.02 0.00 0.00 34.50 31.41 3mtj s PRO 329 CO 0.09 -0.21 -0.19 0.72 -0.33 0.00 0.00 177.00 177.07 3mtj n HIS 330 N 0.60 0.00 -2.40 6.54 8.25 -1.26 -5.02 115.22 121.93 3mtj n HIS 330 Ca 0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 3mtj n HIS 330 Cb 0.43 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 30.76 3mtj n HIS 330 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3mtj s LEU 331 N -6.37 4.48 0.31 2.41 1.43 -1.26 -4.94 118.68 114.74 3mtj s LEU 331 Ca -0.27 2.26 0.08 0.00 -1.03 0.00 0.00 54.13 55.17 3mtj s LEU 331 Cb 0.08 -3.61 0.52 0.00 0.03 0.00 0.00 46.19 43.20 3mtj s LEU 331 CO 0.43 -0.31 1.73 0.00 0.23 0.00 0.00 176.35 178.43 3mtj h ALA 332 N 4.76 1.18 -2.97 4.21 0.00 -1.96 -3.39 119.26 121.08 3mtj h ALA 332 Ca -0.45 -0.39 -0.64 0.00 0.00 0.00 0.00 54.91 53.42 3mtj h ALA 332 Cb 1.21 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.71 3mtj h ALA 332 CO 0.72 0.56 -0.60 0.12 0.00 0.00 0.00 179.25 180.05 3mtj s PHE 333 N -4.18 3.13 -0.58 0.00 5.36 -1.26 -4.94 117.98 115.51 3mtj s PHE 333 Ca -0.04 -0.26 -0.06 0.00 -0.96 0.00 0.00 56.93 55.61 3mtj s PHE 333 Cb 0.14 -2.25 0.15 0.00 -0.34 0.00 0.00 43.02 40.71 3mtj s PHE 333 CO 0.76 -0.26 0.42 -0.65 -1.46 0.00 0.00 175.22 174.02 3mtj s GLN 334 N 1.52 2.58 0.56 10.12 -1.52 -1.26 -4.97 119.66 126.68 3mtj s GLN 334 Ca 0.06 -2.22 0.26 0.00 -1.95 0.00 0.00 55.36 51.51 3mtj s GLN 334 Cb -0.15 -3.84 1.48 0.00 -0.22 0.00 0.00 33.01 30.28 3mtj s GLN 334 CO 0.05 -1.18 2.02 -1.35 -0.25 0.00 0.00 175.29 174.58 3mtj h PRO 335 N 7.64 0.00 -0.43 2.91 0.11 -1.96 -0.15 132.00 140.11 3mtj h PRO 335 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3mtj h PRO 335 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3mtj h PRO 335 CO 0.75 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3mtj n ASP 336 N -4.11 2.01 -1.44 -2.05 5.75 -1.26 -4.25 116.55 111.20 3mtj n ASP 336 Ca 0.06 -2.09 0.04 0.00 -0.01 0.00 0.00 54.79 52.79 3mtj n ASP 336 Cb 0.50 -0.30 0.05 0.00 -1.03 0.00 0.00 41.12 40.34 3mtj n ASP 336 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mtj n GLN 337 N 0.40 0.39 -3.54 0.11 6.02 -0.07 -5.11 117.38 115.57 3mtj n GLN 337 Ca 0.11 -2.31 -0.35 0.00 -0.01 0.00 0.00 57.00 54.44 3mtj n GLN 337 Cb 0.36 -0.37 -0.06 0.00 1.02 0.00 0.00 30.24 31.19 3mtj n GLN 337 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3mtj s LEU 338 N -0.76 4.36 0.07 1.08 1.43 -1.24 -4.94 118.68 118.67 3mtj s LEU 338 Ca 0.34 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 3mtj s LEU 338 Cb 0.38 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 3mtj s LEU 338 CO -0.14 0.18 0.18 0.00 0.23 0.00 0.00 176.35 176.79 3mtj s ALA 339 N -1.38 3.89 -1.11 4.21 0.00 -0.14 -5.02 121.76 122.21 3mtj s ALA 339 Ca 0.33 -0.89 0.18 0.00 0.00 0.00 0.00 51.96 51.58 3mtj s ALA 339 Cb -0.14 -1.72 0.73 0.00 0.00 0.00 0.00 23.12 21.98 3mtj s ALA 339 CO 0.18 0.80 1.64 -0.40 0.00 0.00 0.00 175.76 177.97 3mtj n ASP 340 N 0.31 4.80 -4.64 0.00 5.75 -1.26 -4.34 116.55 117.17 3mtj n ASP 340 Ca -0.06 -2.46 -0.55 0.00 -0.01 0.00 0.00 54.79 51.71 3mtj n ASP 340 Cb 0.51 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.95 3mtj n ASP 340 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3mtj n THR 341 N 1.12 0.12 -2.56 2.12 -1.04 -1.26 -4.90 114.28 107.87 3mtj n THR 341 Ca 0.26 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.92 3mtj n THR 341 Cb 0.90 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.43 3mtj n THR 341 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3mtj s PRO 342 N 1.71 3.98 0.14 -2.82 0.04 -1.26 -4.80 135.00 131.99 3mtj s PRO 342 Ca 0.91 1.11 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 3mtj s PRO 342 Cb -1.02 -2.14 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 3mtj s PRO 342 CO 0.55 -0.25 0.92 0.42 0.04 0.00 0.00 177.00 178.68 3mtj s ILE 343 N -2.32 4.40 0.19 0.56 1.09 -1.26 -0.68 121.20 123.17 3mtj s ILE 343 Ca 0.62 1.99 -0.27 0.00 -1.10 0.00 0.00 60.65 61.89 3mtj s ILE 343 Cb -0.11 -4.28 -0.08 0.00 -1.06 0.00 0.00 42.46 36.92 3mtj s ILE 343 CO 0.23 0.39 0.85 -0.76 -0.10 0.00 0.00 174.94 175.54 3mtj s LEU 344 N -0.42 4.61 0.00 2.97 1.43 0.99 -4.81 118.68 123.45 3mtj s LEU 344 Ca 0.43 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.30 3mtj s LEU 344 Cb -0.24 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3mtj s LEU 344 CO 0.29 0.17 0.00 -2.65 0.23 0.00 0.00 176.35 174.40 3mtj n PRO 345 N 1.63 0.00 0.00 1.29 -0.02 -1.26 -4.64 135.00 132.00 3mtj n PRO 345 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3mtj n PRO 345 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 3mtj n PRO 345 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3mtj n GLU 347 N 0.00 0.00 -0.04 -0.52 0.28 -1.26 -3.36 120.64 115.74 3mtj n GLU 347 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 3mtj n GLU 347 Cb 0.00 0.00 0.38 0.00 1.43 0.00 0.00 31.44 33.25 3mtj n GLU 347 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3mtj n ALA 348 N 0.00 2.55 -2.82 -1.84 0.00 -1.26 -1.36 120.51 115.78 3mtj n ALA 348 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 3mtj n ALA 348 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 3mtj n ALA 348 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mtj s VAL 349 N -1.90 5.39 -0.20 0.00 1.01 -1.21 -4.87 120.40 118.61 3mtj s VAL 349 Ca 0.25 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 3mtj s VAL 349 Cb 0.12 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 3mtj s VAL 349 CO 0.19 0.45 0.24 -0.13 0.00 0.00 0.00 175.10 175.85 3mtj s ARG 350 N -1.52 4.17 0.22 2.72 0.52 -1.26 -0.50 118.95 123.30 3mtj s ARG 350 Ca 0.23 -0.06 -0.19 0.00 -0.52 0.00 0.00 55.73 55.18 3mtj s ARG 350 Cb -0.13 -3.48 0.03 0.00 0.52 0.00 0.00 34.95 31.90 3mtj s ARG 350 CO 0.12 0.15 0.60 -0.08 0.02 0.00 0.00 175.30 176.11 3mtj s THR 351 N 0.77 0.01 0.31 0.02 -1.32 -0.48 -4.86 115.64 110.10 3mtj s THR 351 Ca 0.12 -0.73 0.05 0.00 -1.21 0.00 0.00 61.69 59.92 3mtj s THR 351 Cb -0.13 -1.64 -0.02 0.00 -1.51 0.00 0.00 72.50 69.20 3mtj s THR 351 CO 0.03 -0.05 0.46 0.00 -2.21 0.00 0.00 174.62 172.85 3mtj s ALA 352 N -3.87 4.06 0.03 11.08 0.00 -1.18 -1.55 121.76 130.32 3mtj s ALA 352 Ca 0.09 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 50.77 3mtj s ALA 352 Cb -0.03 -1.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 3mtj s ALA 352 CO -0.01 0.03 -0.10 0.71 0.00 0.00 0.00 175.76 176.39 3mtj s TYR 353 N -2.15 0.87 -0.22 0.00 2.02 -1.25 -0.39 117.35 116.23 3mtj s TYR 353 Ca 0.41 -0.32 -0.10 0.00 -0.37 0.00 0.00 57.07 56.69 3mtj s TYR 353 Cb -0.09 -0.52 -0.05 0.00 -0.40 0.00 0.00 41.96 40.89 3mtj s TYR 353 CO 0.31 -0.01 0.14 -0.47 -1.57 0.00 0.00 175.55 173.95 3mtj s TYR 354 N -0.78 3.35 -0.07 2.71 5.04 1.00 -1.67 117.35 126.94 3mtj s TYR 354 Ca -0.01 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.91 3mtj s TYR 354 Cb -0.07 -2.21 0.01 0.00 0.35 0.00 0.00 41.96 40.04 3mtj s TYR 354 CO 0.01 0.17 -0.16 -0.51 -1.34 0.00 0.00 175.55 173.72 3mtj s LEU 355 N 0.71 1.80 -0.06 6.97 1.02 0.23 -0.98 118.68 128.37 3mtj s LEU 355 Ca 0.08 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 53.86 3mtj s LEU 355 Cb -0.12 -0.97 0.02 0.00 0.02 0.00 0.00 46.19 45.14 3mtj s LEU 355 CO 0.01 0.09 -0.03 -0.60 0.02 0.00 0.00 176.35 175.84 3mtj s ARG 356 N 0.45 0.75 0.06 1.70 3.52 -1.26 0.13 118.95 124.30 3mtj s ARG 356 Ca -0.13 -0.03 -0.03 0.00 -0.13 0.00 0.00 55.73 55.41 3mtj s ARG 356 Cb -0.15 -0.90 -0.03 0.00 -1.56 0.00 0.00 34.95 32.31 3mtj s ARG 356 CO 0.04 -0.17 0.04 -0.48 -0.81 0.00 0.00 175.30 173.92 3mtj s LEU 357 N 1.32 2.15 -0.15 -0.88 0.05 -0.63 -4.56 118.68 116.00 3mtj s LEU 357 Ca -0.05 -0.84 -0.05 0.00 0.05 0.00 0.00 54.13 53.25 3mtj s LEU 357 Cb -0.13 0.43 -0.03 0.00 -2.05 0.00 0.00 46.19 44.40 3mtj s LEU 357 CO -0.02 -0.60 0.01 -0.60 -0.55 0.00 0.00 176.35 174.58 3mtj s ARG 358 N -3.60 3.61 0.06 1.48 6.06 -1.26 -0.47 118.95 124.82 3mtj s ARG 358 Ca 0.04 -0.43 -0.10 0.00 -2.50 0.00 0.00 55.73 52.74 3mtj s ARG 358 Cb 0.05 -2.99 0.00 0.00 0.06 0.00 0.00 34.95 32.08 3mtj s ARG 358 CO -0.09 0.37 0.21 0.00 -2.50 0.00 0.00 175.30 173.30 3mtj s ALA 359 N 0.04 -0.37 0.00 6.12 0.00 -0.67 -3.43 121.76 123.44 3mtj s ALA 359 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3mtj s ALA 359 Cb -0.13 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.37 3mtj s ALA 359 CO 0.02 -0.44 0.00 1.19 0.00 0.00 0.00 175.76 176.53 3mtj n PHE 360 N 0.35 0.00 -0.64 0.00 3.72 -0.54 -0.08 117.46 120.27 3mtj n PHE 360 Ca -0.17 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.31 3mtj n PHE 360 Cb 0.60 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.10 3mtj n PHE 360 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mtj n ARG 362 N 0.00 -1.48 0.10 -1.08 5.12 -1.26 -4.74 116.66 113.32 3mtj n ARG 362 Ca 0.00 1.20 -0.05 0.00 -1.93 0.00 0.00 57.85 57.06 3mtj n ARG 362 Cb 0.00 -1.73 0.05 0.00 -1.16 0.00 0.00 32.46 29.62 3mtj n ARG 362 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3mtj h PRO 363 N -0.63 0.11 0.00 5.56 0.11 -2.05 -3.25 132.00 131.84 3mtj h PRO 363 Ca -0.08 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3mtj h PRO 363 Cb 0.62 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3mtj h PRO 363 CO 0.03 0.82 0.00 0.78 -0.21 0.00 0.00 178.00 179.42 3mtj h GLY 364 N 1.97 0.00 0.96 -0.55 0.00 -2.00 -3.07 103.07 100.37 3mtj h GLY 364 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3mtj h GLY 364 CO 0.11 0.00 0.20 -2.08 0.00 0.00 0.00 176.54 174.77 3mtj h VAL 365 N 0.00 1.15 -0.37 4.60 2.07 -1.98 -2.02 116.25 119.71 3mtj h VAL 365 Ca 0.00 -0.40 -0.15 0.00 0.82 0.00 0.00 66.70 66.97 3mtj h VAL 365 Cb 0.05 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3mtj h VAL 365 CO 0.00 0.16 -0.36 0.25 0.02 0.00 0.00 177.57 177.64 3mtj h LEU 366 N 0.47 0.90 -0.96 2.57 6.46 -1.78 -2.36 115.31 120.62 3mtj h LEU 366 Ca 0.13 -0.40 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 3mtj h LEU 366 Cb 0.07 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 39.70 3mtj h LEU 366 CO -0.02 1.16 0.62 0.00 -0.62 0.00 0.00 178.44 179.59 3mtj h ALA 367 N 0.88 1.26 -0.18 1.25 0.00 -1.61 -0.52 119.26 120.34 3mtj h ALA 367 Ca 0.07 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3mtj h ALA 367 Cb 0.93 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3mtj h ALA 367 CO 0.09 0.51 -0.37 -0.44 0.00 0.00 0.00 179.25 179.04 3mtj h ASP 368 N 1.22 0.64 -0.06 0.00 3.32 -1.30 -2.02 116.42 118.22 3mtj h ASP 368 Ca 0.38 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.88 3mtj h ASP 368 Cb -0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3mtj h ASP 368 CO -0.12 1.07 0.01 0.40 -1.72 0.00 0.00 179.24 178.88 3mtj h ILE 369 N 0.23 0.97 -0.31 0.35 2.04 -1.20 -1.24 117.51 118.35 3mtj h ILE 369 Ca 0.01 -0.01 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3mtj h ILE 369 Cb 0.97 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3mtj h ILE 369 CO 0.08 0.01 -0.14 0.71 0.00 0.00 0.00 178.15 178.81 3mtj h THR 370 N 0.03 1.24 -0.51 -0.27 1.35 -1.12 -1.72 112.91 111.92 3mtj h THR 370 Ca 0.03 -1.09 -0.11 0.00 -0.55 0.00 0.00 66.41 64.68 3mtj h THR 370 Cb 0.02 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3mtj h THR 370 CO -0.04 0.36 -0.13 -0.09 -0.25 0.00 0.00 175.52 175.37 3mtj h ARG 371 N 0.50 0.97 -0.83 4.72 9.65 -1.21 -1.20 114.38 126.97 3mtj h ARG 371 Ca 0.09 -0.36 -0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3mtj h ARG 371 Cb 0.54 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 3mtj h ARG 371 CO 0.03 1.03 0.51 0.82 2.80 0.00 0.00 179.97 185.16 3mtj h ILE 372 N 0.86 1.23 -0.26 1.20 2.04 -0.90 -1.17 117.51 120.50 3mtj h ILE 372 Ca 0.13 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3mtj h ILE 372 Cb 0.68 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3mtj h ILE 372 CO 0.05 0.24 -0.05 -0.07 0.00 0.00 0.00 178.15 178.31 3mtj h LEU 373 N 1.14 0.51 -1.08 1.44 3.38 -1.11 -2.68 115.31 116.92 3mtj h LEU 373 Ca 0.30 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3mtj h LEU 373 Cb -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3mtj h LEU 373 CO -0.06 0.74 0.33 0.00 0.09 0.00 0.00 178.44 179.55 3mtj h ALA 374 N 0.78 1.28 -0.50 1.53 0.00 -1.04 0.27 119.26 121.57 3mtj h ALA 374 Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3mtj h ALA 374 Cb 0.52 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3mtj h ALA 374 CO 0.02 0.56 0.33 -0.44 0.00 0.00 0.00 179.25 179.72 3mtj h ASP 375 N 0.98 0.53 -0.51 0.00 3.32 -1.04 -0.63 116.42 119.07 3mtj h ASP 375 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3mtj h ASP 375 Cb 0.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3mtj h ASP 375 CO -0.03 0.38 0.00 -1.20 -1.72 0.00 0.00 179.24 176.67 3mtj n SER 376 N -4.47 2.87 -2.35 6.45 7.64 -0.86 -4.94 113.62 117.95 3mtj n SER 376 Ca 0.05 -2.04 -0.18 0.00 1.01 0.00 0.00 58.87 57.71 3mtj n SER 376 Cb 0.10 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 62.95 3mtj n SER 376 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3mtj n SER 377 N 0.99 -5.20 -4.65 6.43 7.64 -0.24 -4.84 113.62 113.74 3mtj n SER 377 Ca 0.17 -0.18 -0.37 0.00 1.01 0.00 0.00 58.87 59.50 3mtj n SER 377 Cb 0.47 -4.10 -0.10 0.00 -1.01 0.00 0.00 64.21 59.46 3mtj n SER 377 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mtj s ILE 378 N -3.01 5.31 -0.08 0.44 1.01 0.87 -4.98 121.20 120.75 3mtj s ILE 378 Ca 0.19 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 3mtj s ILE 378 Cb -0.08 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.86 3mtj s ILE 378 CO 0.24 0.34 0.30 -0.44 0.00 0.00 0.00 174.94 175.38 3mtj s SER 379 N 1.13 6.58 -0.02 3.58 0.01 -1.26 -4.03 113.70 119.68 3mtj s SER 379 Ca 0.07 0.69 -0.15 0.00 1.31 0.00 0.00 55.95 57.87 3mtj s SER 379 Cb -0.14 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.86 3mtj s SER 379 CO 0.05 0.27 0.41 -0.63 0.41 0.00 0.00 173.24 173.75 3mtj s ILE 380 N -0.55 5.07 -0.16 1.44 1.01 -1.26 0.39 121.20 127.14 3mtj s ILE 380 Ca 0.19 0.83 -0.11 0.00 0.00 0.00 0.00 60.65 61.56 3mtj s ILE 380 Cb -0.14 -3.72 -0.23 0.00 0.01 0.00 0.00 42.46 38.38 3mtj s ILE 380 CO 0.08 0.54 0.28 -0.67 0.00 0.00 0.00 174.94 175.17 3mtj n ASP 381 N 2.15 2.04 -0.82 3.58 4.64 0.28 -4.75 116.55 123.67 3mtj n ASP 381 Ca -0.13 0.26 0.00 0.00 -1.38 0.00 0.00 54.79 53.54 3mtj n ASP 381 Cb 0.52 -0.88 0.00 0.00 -1.04 0.00 0.00 41.12 39.72 3mtj n ASP 381 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3mtj n ALA 382 N -3.17 0.00 0.00 -1.67 0.00 -0.96 -4.99 120.51 109.72 3mtj n ALA 382 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3mtj n ALA 382 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 3mtj n ALA 382 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3mtj n VAL 384 N 0.00 0.00 -3.68 0.00 0.31 -0.31 -0.75 118.33 113.90 3mtj n VAL 384 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3mtj n VAL 384 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3mtj n VAL 384 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 3mtj n GLN 385 N -0.15 2.45 -2.71 5.55 7.27 -1.26 0.02 117.38 128.55 3mtj n GLN 385 Ca 0.00 -4.50 -0.42 0.00 0.07 0.00 0.00 57.00 52.15 3mtj n GLN 385 Cb 0.00 -2.37 0.01 0.00 2.41 0.00 0.00 30.24 30.30 3mtj n GLN 385 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3mtj n LYS 386 N 2.03 4.86 0.00 3.69 4.76 -0.63 -4.89 118.16 127.98 3mtj n LYS 386 Ca 0.22 -4.44 0.00 0.00 -2.87 0.00 0.00 58.31 51.22 3mtj n LYS 386 Cb 0.36 -2.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.02 3mtj n LYS 386 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3mtj n GLU 393 N 0.94 0.00 -3.73 1.97 2.13 -1.26 -4.51 120.64 116.17 3mtj n GLU 393 Ca 0.39 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.84 3mtj n GLU 393 Cb 0.29 -1.12 -0.06 0.00 0.27 0.00 0.00 31.44 30.83 3mtj n GLU 393 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3mtj s GLN 394 N 0.14 3.65 0.03 5.31 -0.21 -1.26 -4.62 119.66 122.69 3mtj s GLN 394 Ca 0.00 0.06 0.05 0.00 0.02 0.00 0.00 55.36 55.49 3mtj s GLN 394 Cb 0.00 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 3mtj s GLN 394 CO 0.00 0.72 -0.10 0.14 -2.12 0.00 0.00 175.29 173.93 3mtj s VAL 395 N -0.95 3.40 -0.24 1.09 -7.23 0.89 -4.90 120.40 112.46 3mtj s VAL 395 Ca 0.18 -0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 59.18 3mtj s VAL 395 Cb -0.14 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 3mtj s VAL 395 CO 0.07 0.34 0.73 -1.81 -0.31 0.00 0.00 175.10 174.12 3mtj s ASP 396 N -1.54 6.73 -0.09 4.85 1.01 -1.26 -1.67 116.67 124.71 3mtj s ASP 396 Ca 0.17 0.90 0.03 0.00 0.71 0.00 0.00 52.55 54.36 3mtj s ASP 396 Cb -0.11 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 3mtj s ASP 396 CO 0.08 -0.43 -0.17 0.27 0.21 0.00 0.00 175.17 175.13 3mtj s ILE 397 N 2.58 2.79 -0.09 0.77 -4.36 0.38 -1.61 121.20 121.66 3mtj s ILE 397 Ca 0.31 -0.78 0.03 0.00 -0.26 0.00 0.00 60.65 59.95 3mtj s ILE 397 Cb -0.15 -2.11 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 3mtj s ILE 397 CO 0.08 0.56 -0.20 -0.63 0.24 0.00 0.00 174.94 174.99 3mtj s ILE 398 N -0.09 2.48 -0.06 8.37 1.01 0.10 -1.60 121.20 131.42 3mtj s ILE 398 Ca -0.03 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3mtj s ILE 398 Cb -0.14 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.37 3mtj s ILE 398 CO 0.04 0.56 -0.15 -0.76 0.00 0.00 0.00 174.94 174.63 3mtj s LEU 399 N 0.02 1.78 -0.22 2.97 1.43 0.12 -1.16 118.68 123.62 3mtj s LEU 399 Ca -0.07 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 3mtj s LEU 399 Cb -0.15 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3mtj s LEU 399 CO 0.05 0.08 0.03 -0.76 0.23 0.00 0.00 176.35 175.98 3mtj s LEU 400 N 0.40 3.30 0.29 1.79 1.43 0.07 -0.60 118.68 125.37 3mtj s LEU 400 Ca -0.11 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3mtj s LEU 400 Cb -0.14 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3mtj s LEU 400 CO 0.03 0.01 0.45 0.42 0.23 0.00 0.00 176.35 177.50 3mtj s THR 401 N 1.31 5.18 1.07 5.49 -4.23 -0.67 0.10 115.64 123.90 3mtj s THR 401 Ca 0.04 -0.74 -0.16 0.00 -1.18 0.00 0.00 61.69 59.65 3mtj s THR 401 Cb -0.15 -3.86 0.23 0.00 1.34 0.00 0.00 72.50 70.06 3mtj s THR 401 CO 0.02 -0.44 1.13 -1.00 -0.54 0.00 0.00 174.62 173.79 3mtj s HIS 402 N -2.14 1.42 0.19 3.99 3.76 0.16 -3.90 115.29 118.77 3mtj s HIS 402 Ca 0.37 0.69 -0.31 0.00 -0.15 0.00 0.00 55.06 55.66 3mtj s HIS 402 Cb -0.09 -3.44 -0.10 0.00 1.11 0.00 0.00 32.58 30.06 3mtj s HIS 402 CO 0.32 -3.24 1.46 0.08 -0.85 0.00 0.00 174.74 172.52 3mtj s VAL 403 N -3.11 2.81 0.05 -0.90 1.01 -1.26 -4.43 120.40 114.56 3mtj s VAL 403 Ca 0.68 0.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.08 3mtj s VAL 403 Cb -0.13 -3.40 0.04 0.00 0.00 0.00 0.00 36.38 32.90 3mtj s VAL 403 CO 0.56 0.07 0.46 0.28 0.00 0.00 0.00 175.10 176.47 3mtj s THR 404 N 0.60 0.04 0.17 3.92 -1.32 -0.59 -4.90 115.64 113.56 3mtj s THR 404 Ca 0.64 -0.36 -0.32 0.00 -1.21 0.00 0.00 61.69 60.44 3mtj s THR 404 Cb -0.41 -0.97 -0.11 0.00 -1.51 0.00 0.00 72.50 69.50 3mtj s THR 404 CO 0.36 -0.20 1.73 -0.22 -2.21 0.00 0.00 174.62 174.08 3mtj s LEU 405 N -2.01 4.38 0.26 9.08 0.20 -1.26 -1.38 118.68 127.95 3mtj s LEU 405 Ca -0.05 2.79 -0.01 0.00 0.69 0.00 0.00 54.13 57.54 3mtj s LEU 405 Cb -0.01 -3.59 0.49 0.00 -0.43 0.00 0.00 46.19 42.66 3mtj s LEU 405 CO -0.02 -0.96 1.80 -0.08 -0.29 0.00 0.00 176.35 176.79 3mtj h GLU 406 N 7.38 0.75 -0.92 1.98 4.81 -0.82 -1.72 114.58 126.04 3mtj h GLU 406 Ca -0.44 -0.05 0.24 0.00 -0.13 0.00 0.00 59.36 58.99 3mtj h GLU 406 Cb 1.21 -0.17 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 3mtj h GLU 406 CO 0.95 0.50 0.40 0.87 -0.73 0.00 0.00 179.01 181.00 3mtj h LYS 407 N 0.78 0.35 -0.82 1.92 1.57 -1.50 0.15 116.57 119.01 3mtj h LYS 407 Ca 0.45 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.23 3mtj h LYS 407 Cb 0.51 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 3mtj h LYS 407 CO -0.30 0.23 0.53 -0.91 -0.57 0.00 0.00 179.45 178.43 3mtj h ASN 408 N 0.36 0.90 0.01 0.86 2.35 -1.62 -2.19 115.58 116.24 3mtj h ASN 408 Ca 0.60 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 56.16 3mtj h ASN 408 Cb 1.20 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 3mtj h ASN 408 CO -0.57 0.63 -0.62 0.58 -1.65 0.00 0.00 177.43 175.80 3mtj h VAL 409 N 1.05 1.32 -0.20 2.81 2.07 -0.78 -1.61 116.25 120.91 3mtj h VAL 409 Ca 0.32 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.96 3mtj h VAL 409 Cb -0.04 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3mtj h VAL 409 CO -0.09 0.59 0.09 0.78 0.02 0.00 0.00 177.57 178.96 3mtj h ASN 410 N 0.44 0.14 -0.34 0.57 2.35 -0.99 -0.39 115.58 117.37 3mtj h ASN 410 Ca -0.01 0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 3mtj h ASN 410 Cb 1.19 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.54 3mtj h ASN 410 CO 0.12 0.11 -0.06 0.00 -1.65 0.00 0.00 177.43 175.95 3mtj h ALA 411 N 1.11 0.47 -0.67 -0.83 0.00 -1.36 -2.60 119.26 115.38 3mtj h ALA 411 Ca 0.08 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3mtj h ALA 411 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3mtj h ALA 411 CO -0.06 0.29 0.15 0.00 0.00 0.00 0.00 179.25 179.63 3mtj h ALA 412 N 0.82 1.01 -0.67 0.00 0.00 -1.22 -2.80 119.26 116.40 3mtj h ALA 412 Ca 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3mtj h ALA 412 Cb 0.55 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3mtj h ALA 412 CO 0.03 0.64 0.26 0.82 0.00 0.00 0.00 179.25 181.00 3mtj h ILE 413 N 1.01 1.23 -0.24 0.00 2.04 -0.94 -1.56 117.51 119.05 3mtj h ILE 413 Ca 0.21 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3mtj h ILE 413 Cb 0.37 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3mtj h ILE 413 CO 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 178.15 178.25 3mtj h ALA 414 N 1.32 1.22 -0.14 1.87 0.00 -1.22 -0.22 119.26 122.10 3mtj h ALA 414 Ca 0.22 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3mtj h ALA 414 Cb 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3mtj h ALA 414 CO -0.02 0.51 -0.56 0.87 0.00 0.00 0.00 179.25 180.05 3mtj h LYS 415 N 0.38 0.62 -0.88 0.00 1.57 -1.24 -2.64 116.57 114.39 3mtj h LYS 415 Ca 0.06 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3mtj h LYS 415 Cb 0.57 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3mtj h LYS 415 CO 0.04 1.11 0.53 0.82 -0.57 0.00 0.00 179.45 181.38 3mtj h ILE 416 N 0.28 1.24 0.00 1.86 2.04 -1.08 -1.94 117.51 119.91 3mtj h ILE 416 Ca -0.03 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3mtj h ILE 416 Cb 1.19 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3mtj h ILE 416 CO 0.12 0.26 0.00 -0.33 0.00 0.00 0.00 178.15 178.19 3mtj h GLU 417 N 1.21 0.00 0.00 2.37 5.08 -1.05 -2.76 114.58 119.43 3mtj h GLU 417 Ca 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 3mtj h GLU 417 Cb -0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3mtj h GLU 417 CO -0.06 0.00 -0.47 0.00 -1.00 0.00 0.00 179.01 177.49 3mtj h ALA 418 N 2.24 0.77 -2.48 3.43 0.00 -0.97 -3.47 119.26 118.78 3mtj h ALA 418 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 3mtj h ALA 418 Cb 0.47 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.32 3mtj h ALA 418 CO 0.00 0.04 0.94 1.28 0.00 0.00 0.00 179.25 181.51 3mtj n LEU 419 N -2.92 3.66 -0.32 0.00 4.32 -1.04 -4.88 117.00 115.81 3mtj n LEU 419 Ca 0.02 1.06 0.08 0.00 -0.02 0.00 0.00 56.01 57.15 3mtj n LEU 419 Cb 0.55 -1.51 0.25 0.00 -1.62 0.00 0.00 43.42 41.08 3mtj n LEU 419 CO 0.37 0.00 1.14 -2.24 -1.22 0.00 0.00 177.39 175.45 3mtj h ASP 420 N 6.64 0.65 0.31 -1.43 2.03 -1.89 -0.99 116.42 121.74 3mtj h ASP 420 Ca -0.44 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3mtj h ASP 420 Cb 1.22 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3mtj h ASP 420 CO 0.93 0.28 0.00 0.00 -1.03 0.00 0.00 179.24 179.42 3mtj n ALA 421 N -2.39 1.36 -2.84 4.15 0.00 -1.26 -4.58 120.51 114.94 3mtj n ALA 421 Ca 0.19 0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3mtj n ALA 421 Cb 0.45 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.57 3mtj n ALA 421 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3mtj s VAL 422 N -3.16 4.61 -0.19 0.00 1.01 -0.38 -1.46 120.40 120.82 3mtj s VAL 422 Ca 0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3mtj s VAL 422 Cb 0.06 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3mtj s VAL 422 CO 0.20 -0.04 0.14 0.00 0.00 0.00 0.00 175.10 175.40 3mtj s ALA 423 N 1.60 3.71 0.00 5.51 0.00 -1.22 -4.82 121.76 126.54 3mtj s ALA 423 Ca 0.04 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.32 3mtj s ALA 423 Cb -0.18 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3mtj s ALA 423 CO 0.06 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.45 3mtj n GLY 424 N 3.33 -1.94 3.96 0.00 0.00 -1.26 -4.48 105.19 104.81 3mtj n GLY 424 Ca -0.16 -1.54 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 3mtj n GLY 424 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtj s LYS 425 N 0.00 2.92 0.00 1.61 1.02 -1.26 -4.89 119.74 119.14 3mtj s LYS 425 Ca 0.00 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.82 3mtj s LYS 425 Cb 0.00 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 3mtj s LYS 425 CO 0.00 -0.03 0.00 0.28 -0.92 0.00 0.00 175.35 174.68 3mtj n VAL 426 N -1.63 0.00 -3.64 3.17 0.31 -1.26 -4.60 118.33 110.67 3mtj n VAL 426 Ca 0.02 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.28 3mtj n VAL 426 Cb 0.59 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.42 3mtj n VAL 426 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mtj s ARG 428 N 2.06 0.36 -0.02 5.55 1.70 -1.26 -4.90 118.95 122.44 3mtj s ARG 428 Ca 0.00 0.44 -0.00 0.00 -0.47 0.00 0.00 55.73 55.70 3mtj s ARG 428 Cb 0.00 0.17 0.03 0.00 -0.57 0.00 0.00 34.95 34.57 3mtj s ARG 428 CO 0.00 -0.04 0.03 -1.50 -1.08 0.00 0.00 175.30 172.71 3mtj s ILE 429 N 0.26 -0.05 0.72 4.99 1.10 -0.15 -5.01 121.20 123.06 3mtj s ILE 429 Ca 0.03 0.20 -0.11 0.00 -0.51 0.00 0.00 60.65 60.26 3mtj s ILE 429 Cb -0.05 -0.08 0.03 0.00 0.15 0.00 0.00 42.46 42.51 3mtj s ILE 429 CO -0.10 0.08 1.07 -0.13 -2.11 0.00 0.00 174.94 173.75 3mtj s ARG 430 N 0.97 2.69 -0.03 3.50 0.52 -1.23 -0.00 118.95 125.36 3mtj s ARG 430 Ca -0.08 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.01 3mtj s ARG 430 Cb -0.12 -1.97 0.03 0.00 0.52 0.00 0.00 34.95 33.42 3mtj s ARG 430 CO -0.03 -1.25 0.03 -1.17 0.02 0.00 0.00 175.30 172.90 3mtj s LEU 431 N -5.62 0.74 -0.07 2.53 0.20 0.48 -0.22 118.68 116.71 3mtj s LEU 431 Ca 0.59 0.02 0.00 0.00 0.69 0.00 0.00 54.13 55.43 3mtj s LEU 431 Cb -0.14 -0.17 0.02 0.00 -0.43 0.00 0.00 46.19 45.47 3mtj s LEU 431 CO 0.55 -0.17 -0.05 -1.61 -0.29 0.00 0.00 176.35 174.78 3mtj s GLU 432 N 1.51 1.06 0.12 1.98 0.41 -0.17 -3.10 118.70 120.52 3mtj s GLU 432 Ca -0.03 -0.12 -0.12 0.00 -0.41 0.00 0.00 54.97 54.28 3mtj s GLU 432 Cb -0.13 -1.14 -0.08 0.00 -1.78 0.00 0.00 34.13 31.01 3mtj s GLU 432 CO -0.03 -0.18 1.43 0.22 -0.49 0.00 0.00 175.26 176.21 3mtj h ASP 433 N 7.73 0.94 -1.54 -0.19 1.82 -1.99 -3.39 116.42 119.80 3mtj h ASP 433 Ca -0.30 -0.50 -0.37 0.00 -0.39 0.00 0.00 57.03 55.47 3mtj h ASP 433 Cb 1.14 -0.27 -0.12 0.00 0.68 0.00 0.00 39.33 40.76 3mtj h ASP 433 CO 0.40 1.26 -0.37 0.18 -1.61 0.00 0.00 179.24 179.10 3mtj n LEU 434 N -4.08 -1.41 -0.80 2.28 4.77 -1.26 -4.65 117.00 111.85 3mtj n LEU 434 Ca -0.04 0.38 0.10 0.00 -0.03 0.00 0.00 56.01 56.42 3mtj n LEU 434 Cb 0.57 -2.61 0.08 0.00 -2.33 0.00 0.00 43.42 39.14 3mtj n LEU 434 CO 0.49 -0.81 0.57 0.61 -1.33 0.00 0.00 177.39 176.91