#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mc3 s LYS 2 N 0.00 0.50 0.08 1.57 1.02 -0.96 -4.83 119.74 117.12 1mc3 s LYS 2 Ca 0.00 -0.77 0.07 0.00 0.02 0.00 0.00 55.97 55.29 1mc3 s LYS 2 Cb 0.00 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.47 1mc3 s LYS 2 CO 0.00 -0.11 -0.18 0.20 -0.92 0.00 0.00 175.35 174.34 1mc3 s GLY 3 N -2.02 1.07 0.06 -3.33 0.00 -0.68 -0.89 107.32 101.54 1mc3 s GLY 3 Ca -0.07 -1.11 0.06 0.00 0.00 0.00 0.00 44.72 43.60 1mc3 s GLY 3 CO -0.04 -1.11 -0.17 -0.42 0.00 0.00 0.00 173.10 171.36 1mc3 s ILE 4 N -1.12 1.37 -0.14 0.90 1.01 0.60 -1.31 121.20 122.49 1mc3 s ILE 4 Ca 0.04 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 1mc3 s ILE 4 Cb -0.10 -1.24 0.04 0.00 0.01 0.00 0.00 42.46 41.17 1mc3 s ILE 4 CO 0.03 -0.03 -0.04 -0.63 0.00 0.00 0.00 174.94 174.27 1mc3 s ILE 5 N -1.02 0.94 -0.42 2.92 1.01 -0.41 -2.08 121.20 122.15 1mc3 s ILE 5 Ca 0.03 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 1mc3 s ILE 5 Cb -0.09 -1.11 0.02 0.00 0.01 0.00 0.00 42.46 41.29 1mc3 s ILE 5 CO 0.02 0.18 1.24 -0.76 0.00 0.00 0.00 174.94 175.62 1mc3 s LEU 6 N 1.71 3.68 -0.15 2.97 2.01 -1.14 -1.52 118.68 126.25 1mc3 s LEU 6 Ca 0.02 0.74 0.16 0.00 0.01 0.00 0.00 54.13 55.06 1mc3 s LEU 6 Cb -0.14 -3.54 0.43 0.00 0.01 0.00 0.00 46.19 42.94 1mc3 s LEU 6 CO -0.08 -1.25 1.20 0.00 1.01 0.00 0.00 176.35 177.23 1mc3 n ALA 7 N 8.04 3.29 -2.27 4.21 0.00 0.10 -0.86 120.51 133.03 1mc3 n ALA 7 Ca 0.14 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.56 1mc3 n ALA 7 Cb 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1mc3 n ALA 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 8 N -0.58 0.92 0.05 0.00 0.00 -1.12 -4.52 105.19 99.94 1mc3 n GLY 8 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 1mc3 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mc3 n GLY 9 N 5.00 -2.31 0.02 -0.02 0.00 -1.26 -4.73 105.19 101.89 1mc3 n GLY 9 Ca 0.00 -1.46 0.11 0.00 0.00 0.00 0.00 46.02 44.67 1mc3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1mc3 n SER 10 N -2.33 0.65 -4.25 1.61 7.64 -1.26 -4.92 113.62 110.76 1mc3 n SER 10 Ca -0.00 -0.33 -0.31 0.00 1.01 0.00 0.00 58.87 59.24 1mc3 n SER 10 Cb 0.03 0.67 -0.08 0.00 -1.01 0.00 0.00 64.21 63.81 1mc3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mc3 n GLY 11 N 1.42 -0.16 0.24 0.23 0.00 -1.26 -4.85 105.19 100.81 1mc3 n GLY 11 Ca 0.03 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.27 1mc3 n GLY 11 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mc3 h THR 12 N -1.74 1.11 0.00 2.61 1.35 -1.94 -2.96 112.91 111.34 1mc3 h THR 12 Ca -0.65 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 1mc3 h THR 12 Cb 1.39 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1mc3 h THR 12 CO 0.70 0.14 0.00 0.54 -0.25 0.00 0.00 175.52 176.66 1mc3 n ARG 13 N -4.38 0.05 -0.47 4.72 1.74 -1.26 -1.16 116.66 115.90 1mc3 n ARG 13 Ca -0.02 0.39 0.06 0.00 -0.77 0.00 0.00 57.85 57.51 1mc3 n ARG 13 Cb 0.20 -1.62 0.22 0.00 -1.02 0.00 0.00 32.46 30.24 1mc3 n ARG 13 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1mc3 n LEU 14 N -1.71 3.64 -0.38 0.55 4.77 -1.12 -4.24 117.00 118.50 1mc3 n LEU 14 Ca 0.02 -3.24 -0.00 0.00 -0.03 0.00 0.00 56.01 52.75 1mc3 n LEU 14 Cb 0.12 -0.55 0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1mc3 n LEU 14 CO 0.11 0.84 0.59 1.41 -1.33 0.00 0.00 177.39 179.01 1mc3 n HIS 15 N -0.85 0.06 -0.29 -1.77 8.25 -0.31 -1.94 115.22 118.37 1mc3 n HIS 15 Ca 0.23 1.23 0.11 0.00 -0.26 0.00 0.00 57.72 59.03 1mc3 n HIS 15 Cb 0.88 -0.89 0.27 0.00 1.12 0.00 0.00 29.99 31.37 1mc3 n HIS 15 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1mc3 h PRO 16 N 0.00 0.31 0.59 -0.41 0.13 -1.93 -3.08 132.00 127.60 1mc3 h PRO 16 Ca 0.36 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.44 1mc3 h PRO 16 Cb 0.61 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.67 1mc3 h PRO 16 CO -0.99 0.20 -0.28 0.82 -0.23 0.00 0.00 178.00 177.52 1mc3 h ILE 17 N 0.31 0.34 0.00 -3.56 2.04 -1.80 -3.18 117.51 111.67 1mc3 h ILE 17 Ca 0.53 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 66.13 1mc3 h ILE 17 Cb 1.00 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1mc3 h ILE 17 CO -0.56 0.03 0.00 0.35 0.00 0.00 0.00 178.15 177.97 1mc3 n THR 18 N -5.36 0.00 0.56 -0.27 -2.24 -1.13 -1.52 114.28 104.31 1mc3 n THR 18 Ca -0.12 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.79 1mc3 n THR 18 Cb 0.34 -0.40 0.39 0.00 -2.10 0.00 0.00 70.33 68.56 1mc3 n THR 18 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1mc3 h ARG 19 N 0.00 0.00 0.00 -0.78 3.08 -1.51 -3.38 114.38 111.78 1mc3 h ARG 19 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1mc3 h ARG 19 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1mc3 h ARG 19 CO 0.00 0.00 -0.87 0.41 -1.07 0.00 0.00 179.97 178.44 1mc3 n GLY 20 N 1.16 -0.22 3.48 0.04 0.00 -0.58 -5.07 105.19 104.01 1mc3 n GLY 20 Ca 0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1mc3 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mc3 s VAL 21 N -2.30 2.81 0.46 1.61 1.01 -1.23 -5.08 120.40 117.68 1mc3 s VAL 21 Ca -0.13 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.16 1mc3 s VAL 21 Cb 0.03 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 1mc3 s VAL 21 CO 0.18 0.16 1.40 -0.55 0.00 0.00 0.00 175.10 176.29 1mc3 s SER 22 N -1.97 5.81 0.32 3.32 0.15 -1.26 -4.28 113.70 115.78 1mc3 s SER 22 Ca 0.17 2.86 0.05 0.00 0.70 0.00 0.00 55.95 59.73 1mc3 s SER 22 Cb -0.11 -2.65 0.70 0.00 -1.71 0.00 0.00 66.02 62.25 1mc3 s SER 22 CO 0.09 -1.22 1.85 0.50 1.20 0.00 0.00 173.24 175.66 1mc3 h LYS 23 N 2.19 0.81 0.00 5.44 3.64 -1.90 -1.04 116.57 125.71 1mc3 h LYS 23 Ca -0.51 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1mc3 h LYS 23 Cb 1.27 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1mc3 h LYS 23 CO 0.60 0.53 0.00 1.04 -2.27 0.00 0.00 179.45 179.36 1mc3 n GLN 24 N -4.60 0.49 0.00 1.90 3.00 -1.26 -1.78 117.38 115.13 1mc3 n GLN 24 Ca 0.19 0.04 0.09 0.00 -0.01 0.00 0.00 57.00 57.30 1mc3 n GLN 24 Cb 0.43 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 29.11 1mc3 n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mc3 n LEU 25 N -1.10 1.23 -4.76 1.08 4.77 -0.40 -1.75 117.00 116.08 1mc3 n LEU 25 Ca 0.13 -0.61 -0.32 0.00 -0.03 0.00 0.00 56.01 55.18 1mc3 n LEU 25 Cb 0.10 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1mc3 n LEU 25 CO 0.12 0.26 0.72 -0.76 -1.33 0.00 0.00 177.39 176.40 1mc3 s LEU 26 N -2.59 3.16 0.05 2.23 1.43 -0.73 -4.78 118.68 117.45 1mc3 s LEU 26 Ca 0.10 1.95 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 1mc3 s LEU 26 Cb 0.14 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1mc3 s LEU 26 CO 0.63 -2.00 0.56 -2.16 0.23 0.00 0.00 176.35 173.61 1mc3 s PRO 27 N -4.53 4.20 -0.55 1.29 0.04 -1.26 -4.52 135.00 129.66 1mc3 s PRO 27 Ca 0.64 0.70 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 1mc3 s PRO 27 Cb -0.20 -3.26 0.14 0.00 0.04 0.00 0.00 34.50 31.23 1mc3 s PRO 27 CO 0.50 0.60 0.38 0.42 0.04 0.00 0.00 177.00 178.94 1mc3 s ILE 28 N -0.94 3.87 0.00 0.56 -1.09 -0.58 -4.87 121.20 118.14 1mc3 s ILE 28 Ca 0.29 -2.41 0.00 0.00 -2.23 0.00 0.00 60.65 56.30 1mc3 s ILE 28 Cb -0.19 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 1mc3 s ILE 28 CO 0.18 -0.82 0.00 0.00 -1.23 0.00 0.00 174.94 173.07 1mc3 n TYR 29 N 4.15 0.00 0.13 3.97 9.36 -1.26 -2.58 117.16 130.93 1mc3 n TYR 29 Ca 0.02 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.29 1mc3 n TYR 29 Cb 0.40 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.19 1mc3 n TYR 29 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1mc3 n ASP 30 N 9.14 2.27 -4.19 2.98 5.75 -1.26 -5.00 116.55 126.24 1mc3 n ASP 30 Ca 0.00 -1.69 -0.22 0.00 -0.01 0.00 0.00 54.79 52.88 1mc3 n ASP 30 Cb 0.00 -0.09 -0.13 0.00 -1.03 0.00 0.00 41.12 39.86 1mc3 n ASP 30 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mc3 s LYS 31 N -0.89 1.06 0.00 0.11 1.02 -1.07 -5.05 119.74 114.92 1mc3 s LYS 31 Ca 0.15 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1mc3 s LYS 31 Cb 0.09 -1.12 0.00 0.00 -0.52 0.00 0.00 37.83 36.28 1mc3 s LYS 31 CO 0.13 0.27 0.00 -2.30 -0.92 0.00 0.00 175.35 172.53 1mc3 n PRO 32 N 1.77 1.65 0.00 -1.68 -0.02 -1.26 -1.53 135.00 133.93 1mc3 n PRO 32 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1mc3 n PRO 32 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1mc3 n PRO 32 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1mc3 n ILE 34 N 0.00 0.00 0.20 4.25 3.06 -0.72 -4.20 119.36 121.96 1mc3 n ILE 34 Ca 0.00 0.00 0.12 0.00 -2.50 0.00 0.00 62.75 60.37 1mc3 n ILE 34 Cb 0.00 0.00 0.68 0.00 0.54 0.00 0.00 39.64 40.86 1mc3 n ILE 34 CO 0.00 0.00 0.00 1.88 -2.50 0.00 0.00 176.55 175.93 1mc3 h TYR 35 N 0.00 0.00 0.23 9.51 -1.99 -1.90 -2.73 116.97 120.09 1mc3 h TYR 35 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1mc3 h TYR 35 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1mc3 h TYR 35 CO 0.00 0.00 -0.11 1.88 -0.00 0.00 0.00 178.16 179.93 1mc3 h TYR 36 N 0.00 -0.29 -0.90 4.88 -1.99 -1.87 -2.47 116.97 114.32 1mc3 h TYR 36 Ca 0.06 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.90 1mc3 h TYR 36 Cb 0.25 0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.00 1mc3 h TYR 36 CO 0.00 -0.18 0.58 -1.00 -0.00 0.00 0.00 178.16 177.56 1mc3 h PRO 37 N -1.06 0.80 -0.19 4.88 0.13 -1.66 -2.30 132.00 132.60 1mc3 h PRO 37 Ca -0.03 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 65.09 1mc3 h PRO 37 Cb 0.24 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 31.16 1mc3 h PRO 37 CO 0.05 0.53 -0.04 1.25 -0.23 0.00 0.00 178.00 179.56 1mc3 h LEU 38 N 0.82 -0.16 -1.80 1.56 5.85 -1.57 -2.10 115.31 117.91 1mc3 h LEU 38 Ca 0.43 0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.34 1mc3 h LEU 38 Cb 0.53 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1mc3 h LEU 38 CO -0.20 -0.06 0.40 0.77 -0.34 0.00 0.00 178.44 179.02 1mc3 h SER 39 N 0.01 0.20 0.55 1.25 4.64 -0.92 -1.26 113.55 118.01 1mc3 h SER 39 Ca 0.09 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 1mc3 h SER 39 Cb 0.13 -0.03 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1mc3 h SER 39 CO -0.19 0.11 -0.26 0.58 -0.87 0.00 0.00 176.83 176.20 1mc3 h VAL 40 N 0.21 0.43 0.00 0.95 2.07 -1.23 0.26 116.25 118.94 1mc3 h VAL 40 Ca 0.28 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1mc3 h VAL 40 Cb 0.81 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1mc3 h VAL 40 CO -0.05 0.03 0.00 0.18 0.02 0.00 0.00 177.57 177.74 1mc3 n LEU 41 N -5.36 0.00 0.00 2.57 4.77 -0.48 -0.93 117.00 117.57 1mc3 n LEU 41 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1mc3 n LEU 41 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1mc3 n LEU 41 CO 0.35 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.59 1mc3 n LEU 43 N 0.62 0.00 -0.43 2.23 4.77 0.90 -1.65 117.00 123.45 1mc3 n LEU 43 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1mc3 n LEU 43 Cb 0.00 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.62 1mc3 n LEU 43 CO 0.00 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 176.92 1mc3 n ALA 44 N 0.00 2.63 -1.68 -1.18 0.00 -0.11 -4.70 120.51 115.48 1mc3 n ALA 44 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1mc3 n ALA 44 Cb 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 1mc3 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 45 N 1.19 0.38 3.59 0.00 0.00 -0.93 -4.71 105.19 104.71 1mc3 n GLY 45 Ca 0.18 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1mc3 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mc3 s ILE 46 N -2.11 5.21 -0.08 -0.61 1.01 -0.66 -4.98 121.20 118.98 1mc3 s ILE 46 Ca 0.00 0.13 0.19 0.00 0.00 0.00 0.00 60.65 60.98 1mc3 s ILE 46 Cb 0.00 -3.46 -0.29 0.00 0.01 0.00 0.00 42.46 38.72 1mc3 s ILE 46 CO 0.00 0.29 0.33 0.54 0.00 0.00 0.00 174.94 176.09 1mc3 n ARG 47 N 4.84 0.71 -3.34 2.79 1.74 -1.26 -4.83 116.66 117.31 1mc3 n ARG 47 Ca -0.14 -0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.38 1mc3 n ARG 47 Cb 0.52 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 1mc3 n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1mc3 s GLU 48 N -3.11 3.27 -0.08 5.56 2.02 -1.26 -0.41 118.70 124.68 1mc3 s GLU 48 Ca -0.08 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1mc3 s GLU 48 Cb 0.11 -3.91 0.02 0.00 0.10 0.00 0.00 34.13 30.45 1mc3 s GLU 48 CO 0.82 -0.75 -0.07 0.42 0.02 0.00 0.00 175.26 175.71 1mc3 s ILE 49 N 2.12 0.84 -0.19 -1.63 1.01 -0.88 -1.68 121.20 120.78 1mc3 s ILE 49 Ca 0.12 -0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.43 1mc3 s ILE 49 Cb -0.17 -0.85 -0.05 0.00 0.01 0.00 0.00 42.46 41.40 1mc3 s ILE 49 CO 0.13 0.32 0.18 -0.22 0.00 0.00 0.00 174.94 175.35 1mc3 s LEU 50 N 1.31 4.21 -0.23 2.97 2.96 -0.43 -1.35 118.68 128.11 1mc3 s LEU 50 Ca -0.04 0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1mc3 s LEU 50 Cb -0.14 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1mc3 s LEU 50 CO -0.03 0.14 0.02 -0.63 -1.32 0.00 0.00 176.35 174.53 1mc3 s ILE 51 N 0.48 3.93 -0.25 6.68 1.01 0.15 -1.29 121.20 131.91 1mc3 s ILE 51 Ca 0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1mc3 s ILE 51 Cb -0.12 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1mc3 s ILE 51 CO 0.00 0.38 0.16 -0.63 0.00 0.00 0.00 174.94 174.86 1mc3 s ILE 52 N 1.46 5.29 0.33 2.92 1.01 -0.57 -2.24 121.20 129.40 1mc3 s ILE 52 Ca 0.05 0.16 0.04 0.00 0.00 0.00 0.00 60.65 60.90 1mc3 s ILE 52 Cb -0.15 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1mc3 s ILE 52 CO 0.01 0.32 0.15 0.42 0.00 0.00 0.00 174.94 175.84 1mc3 s THR 53 N 1.25 0.44 0.70 2.92 -4.23 -0.86 0.02 115.64 115.89 1mc3 s THR 53 Ca 0.07 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.47 1mc3 s THR 53 Cb -0.14 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.22 1mc3 s THR 53 CO 0.06 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.65 1mc3 s THR 54 N -3.48 3.66 0.38 3.99 -4.23 -1.26 -0.98 115.64 113.73 1mc3 s THR 54 Ca 0.33 0.54 0.09 0.00 -1.18 0.00 0.00 61.69 61.47 1mc3 s THR 54 Cb 0.05 -3.50 0.16 0.00 1.34 0.00 0.00 72.50 70.55 1mc3 s THR 54 CO 0.17 -0.70 1.91 -0.65 -0.54 0.00 0.00 174.62 174.81 1mc3 h PRO 55 N -0.65 0.26 -0.10 3.99 0.11 -1.87 -2.84 132.00 130.90 1mc3 h PRO 55 Ca -0.45 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 1mc3 h PRO 55 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1mc3 h PRO 55 CO 0.63 0.39 -0.77 0.93 -0.21 0.00 0.00 178.00 178.96 1mc3 h GLU 56 N 0.25 0.56 0.00 1.05 3.07 -1.97 -3.33 114.58 114.20 1mc3 h GLU 56 Ca 0.05 -0.47 -0.06 0.00 -0.50 0.00 0.00 59.36 58.38 1mc3 h GLU 56 Cb 0.37 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 1mc3 h GLU 56 CO 0.02 1.09 -0.77 -0.44 -1.40 0.00 0.00 179.01 177.51 1mc3 h ASP 57 N 0.37 0.00 -0.41 1.42 3.32 -1.92 -3.42 116.42 115.79 1mc3 h ASP 57 Ca -0.04 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.04 1mc3 h ASP 57 Cb 1.37 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.87 1mc3 h ASP 57 CO 0.14 0.25 -0.24 1.17 -1.72 0.00 0.00 179.24 178.84 1mc3 n LYS 58 N -2.94 -0.18 0.22 3.56 4.81 -1.08 -0.11 118.16 122.44 1mc3 n LYS 58 Ca -0.01 0.79 0.15 0.00 -0.87 0.00 0.00 58.31 58.36 1mc3 n LYS 58 Cb 0.65 -1.16 0.78 0.00 0.02 0.00 0.00 35.03 35.32 1mc3 n LYS 58 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1mc3 h GLY 59 N 0.00 0.00 1.26 3.14 0.00 -1.85 0.50 103.07 106.13 1mc3 h GLY 59 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 1mc3 h GLY 59 CO -0.38 0.00 -0.49 -0.97 0.00 0.00 0.00 176.54 174.70 1mc3 h TYR 60 N 0.00 0.97 -0.26 5.60 -1.99 -0.81 0.14 116.97 120.62 1mc3 h TYR 60 Ca 0.06 -0.32 -0.08 0.00 2.00 0.00 0.00 58.73 60.39 1mc3 h TYR 60 Cb 0.30 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 1mc3 h TYR 60 CO 0.00 1.11 -0.14 0.74 -0.00 0.00 0.00 178.16 179.88 1mc3 h PHE 61 N 0.62 0.65 -0.61 4.88 -1.00 -0.69 -1.92 116.94 118.87 1mc3 h PHE 61 Ca 0.03 -0.16 -0.03 0.00 2.81 0.00 0.00 57.97 60.61 1mc3 h PHE 61 Cb 1.07 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 1mc3 h PHE 61 CO 0.06 0.82 0.26 1.96 -1.61 0.00 0.00 178.31 179.80 1mc3 h GLN 62 N 0.29 0.90 -0.10 1.51 4.20 -1.06 0.62 115.11 121.48 1mc3 h GLN 62 Ca 0.06 -0.15 0.03 0.00 0.06 0.00 0.00 58.65 58.64 1mc3 h GLN 62 Cb 0.65 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1mc3 h GLN 62 CO 0.04 0.75 0.08 -0.09 -0.67 0.00 0.00 178.83 178.94 1mc3 h ARG 63 N 0.84 0.00 0.01 1.46 2.43 -0.58 0.56 114.38 119.10 1mc3 h ARG 63 Ca 0.21 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.03 1mc3 h ARG 63 Cb 0.18 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 1mc3 h ARG 63 CO -0.02 0.00 -2.17 -0.11 -1.51 0.00 0.00 179.97 176.16 1mc3 n LEU 64 N -4.47 0.89 -0.01 3.80 7.94 -0.71 -4.68 117.00 119.76 1mc3 n LEU 64 Ca -0.00 0.12 0.04 0.00 -1.11 0.00 0.00 56.01 55.05 1mc3 n LEU 64 Cb 0.19 0.07 -0.06 0.00 0.53 0.00 0.00 43.42 44.15 1mc3 n LEU 64 CO 0.34 0.56 -0.61 0.18 -1.11 0.00 0.00 177.39 176.75 1mc3 n LEU 65 N -2.97 0.00 0.00 -1.96 4.77 0.21 -5.09 117.00 111.96 1mc3 n LEU 65 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 1mc3 n LEU 65 Cb 1.10 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1mc3 n LEU 65 CO 0.41 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1mc3 n GLY 66 N 2.07 1.14 0.16 -0.72 0.00 0.19 -2.11 105.19 105.91 1mc3 n GLY 66 Ca -0.02 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.55 1mc3 n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mc3 n ASP 67 N -2.81 0.49 0.00 1.61 5.68 -1.26 -4.85 116.55 115.41 1mc3 n ASP 67 Ca 0.00 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.07 1mc3 n ASP 67 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1mc3 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mc3 n GLY 68 N 1.03 1.09 0.28 6.12 0.00 -0.90 -1.17 105.19 111.64 1mc3 n GLY 68 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1mc3 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mc3 h SER 69 N 0.00 0.00 0.60 1.61 4.64 -1.81 -0.63 113.55 117.96 1mc3 h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mc3 h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1mc3 h SER 69 CO 0.00 0.05 0.00 -0.08 -0.87 0.00 0.00 176.83 175.93 1mc3 h GLU 70 N 0.00 0.00 -0.02 4.77 4.81 -1.87 -1.80 114.58 120.47 1mc3 h GLU 70 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mc3 h GLU 70 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1mc3 h GLU 70 CO 0.01 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 179.48 1mc3 n PHE 71 N -2.46 0.03 -3.35 0.92 3.01 -0.34 -4.89 117.46 110.39 1mc3 n PHE 71 Ca 0.01 -0.54 -0.16 0.00 1.01 0.00 0.00 57.45 57.76 1mc3 n PHE 71 Cb 0.20 -0.06 0.08 0.00 -0.01 0.00 0.00 39.48 39.69 1mc3 n PHE 71 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mc3 n GLY 72 N -0.52 -0.76 3.27 1.37 0.00 -0.68 -4.72 105.19 103.15 1mc3 n GLY 72 Ca 0.02 0.34 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 1mc3 n GLY 72 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1mc3 s ILE 73 N -3.38 0.08 -0.50 -0.61 -4.36 -0.61 -4.90 121.20 106.91 1mc3 s ILE 73 Ca 0.23 -0.68 -0.13 0.00 -0.26 0.00 0.00 60.65 59.81 1mc3 s ILE 73 Cb -0.03 -1.04 0.12 0.00 1.25 0.00 0.00 42.46 42.75 1mc3 s ILE 73 CO 0.74 -0.37 0.42 0.00 0.24 0.00 0.00 174.94 175.97 1mc3 s GLN 74 N -2.98 2.81 -0.09 0.37 1.03 0.45 -3.07 119.66 118.17 1mc3 s GLN 74 Ca -0.02 -1.66 -0.16 0.00 0.04 0.00 0.00 55.36 53.56 1mc3 s GLN 74 Cb 0.01 -4.13 -0.05 0.00 0.03 0.00 0.00 33.01 28.87 1mc3 s GLN 74 CO -0.06 -1.22 0.40 -0.51 -2.54 0.00 0.00 175.29 171.35 1mc3 s LEU 75 N 1.52 4.33 0.12 2.60 1.43 -0.31 -2.08 118.68 126.29 1mc3 s LEU 75 Ca 0.04 0.77 0.09 0.00 -1.03 0.00 0.00 54.13 54.00 1mc3 s LEU 75 Cb -0.28 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1mc3 s LEU 75 CO 0.02 0.14 -0.23 -1.61 0.23 0.00 0.00 176.35 174.90 1mc3 s GLU 76 N 0.02 1.25 0.20 1.70 2.02 -0.46 -4.81 118.70 118.62 1mc3 s GLU 76 Ca 0.22 -1.26 0.11 0.00 0.02 0.00 0.00 54.97 54.06 1mc3 s GLU 76 Cb -0.15 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1mc3 s GLU 76 CO 0.09 0.37 -0.23 0.71 0.02 0.00 0.00 175.26 176.22 1mc3 s TYR 77 N -1.21 2.25 -0.11 1.61 1.51 -1.26 -0.67 117.35 119.46 1mc3 s TYR 77 Ca 0.10 -0.37 -0.18 0.00 -1.01 0.00 0.00 57.07 55.62 1mc3 s TYR 77 Cb -0.10 -1.10 0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1mc3 s TYR 77 CO 0.05 0.50 0.45 0.00 -1.11 0.00 0.00 175.55 175.45 1mc3 s ALA 78 N -1.78 -1.14 -0.15 3.71 0.00 -0.95 -4.91 121.76 116.53 1mc3 s ALA 78 Ca 0.21 1.03 -0.07 0.00 0.00 0.00 0.00 51.96 53.13 1mc3 s ALA 78 Cb -0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.59 1mc3 s ALA 78 CO 0.10 -0.25 0.10 -1.21 0.00 0.00 0.00 175.76 174.49 1mc3 s GLU 79 N -0.42 3.70 -0.58 0.00 2.02 -1.26 -2.02 118.70 120.14 1mc3 s GLU 79 Ca -0.06 -0.25 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 1mc3 s GLU 79 Cb -0.03 -3.19 0.15 0.00 0.10 0.00 0.00 34.13 31.15 1mc3 s GLU 79 CO 0.03 0.52 0.47 -1.14 0.02 0.00 0.00 175.26 175.16 1mc3 s GLN 80 N -0.31 2.79 0.25 1.61 0.74 -0.15 -4.94 119.66 119.66 1mc3 s GLN 80 Ca 0.10 -2.03 -0.07 0.00 0.05 0.00 0.00 55.36 53.41 1mc3 s GLN 80 Cb -0.12 -4.05 0.42 0.00 1.10 0.00 0.00 33.01 30.37 1mc3 s GLN 80 CO 0.01 -1.23 1.40 -2.30 -0.55 0.00 0.00 175.29 172.62 1mc3 n PRO 81 N 4.52 -0.08 -3.89 1.67 -0.02 -1.26 -4.46 135.00 131.48 1mc3 n PRO 81 Ca -0.02 1.39 -0.11 0.00 -2.02 0.00 0.00 63.50 62.74 1mc3 n PRO 81 Cb 0.41 -2.09 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 1mc3 n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1mc3 s SER 82 N -5.22 0.04 -0.64 2.55 0.15 -1.26 -4.79 113.70 104.53 1mc3 s SER 82 Ca -0.13 -0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.18 1mc3 s SER 82 Cb 0.24 0.07 -0.21 0.00 -1.71 0.00 0.00 66.02 64.41 1mc3 s SER 82 CO 0.70 -0.09 1.85 -0.81 1.20 0.00 0.00 173.24 176.09 1mc3 n PRO 83 N 2.66 1.06 -0.13 5.44 -0.04 -1.26 -4.75 135.00 137.98 1mc3 n PRO 83 Ca -0.15 -1.70 0.03 0.00 -0.04 0.00 0.00 63.50 61.64 1mc3 n PRO 83 Cb 0.59 -2.96 0.09 0.00 -0.04 0.00 0.00 33.50 31.17 1mc3 n PRO 83 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mc3 n ASP 84 N 9.36 1.28 0.00 3.54 8.00 -1.26 -4.98 116.55 132.49 1mc3 n ASP 84 Ca 0.48 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.93 1mc3 n ASP 84 Cb 0.42 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1mc3 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mc3 n GLY 85 N 0.67 2.83 0.14 0.44 0.00 -1.26 -1.02 105.19 107.00 1mc3 n GLY 85 Ca 0.07 -2.08 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 1mc3 n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mc3 h LEU 86 N 0.00 0.79 -1.95 0.99 3.38 -1.56 -3.31 115.31 113.65 1mc3 h LEU 86 Ca 0.00 -0.85 0.22 0.00 0.09 0.00 0.00 57.88 57.34 1mc3 h LEU 86 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1mc3 h LEU 86 CO 0.00 1.67 0.56 0.00 0.09 0.00 0.00 178.44 180.75 1mc3 h ALA 87 N 0.21 2.68 0.00 1.53 0.00 -1.59 -1.43 119.26 120.66 1mc3 h ALA 87 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1mc3 h ALA 87 Cb 2.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.99 1mc3 h ALA 87 CO 0.27 -0.90 0.05 0.37 0.00 0.00 0.00 179.25 179.03 1mc3 h GLN 88 N 0.04 0.00 -0.90 0.00 4.15 -1.79 -2.54 115.11 114.07 1mc3 h GLN 88 Ca 0.37 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.78 1mc3 h GLN 88 Cb 1.43 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 1mc3 h GLN 88 CO -0.02 0.00 0.53 0.00 -1.93 0.00 0.00 178.83 177.41 1mc3 h ALA 89 N 1.89 1.24 -0.10 3.38 0.00 -1.49 0.34 119.26 124.51 1mc3 h ALA 89 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1mc3 h ALA 89 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1mc3 h ALA 89 CO 0.00 0.64 -0.61 0.74 0.00 0.00 0.00 179.25 180.02 1mc3 h PHE 90 N 1.25 0.46 0.31 0.00 -1.00 -1.69 0.63 116.94 116.90 1mc3 h PHE 90 Ca 0.32 -0.18 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1mc3 h PHE 90 Cb -0.03 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.45 1mc3 h PHE 90 CO 0.01 0.88 -0.15 0.82 -1.61 0.00 0.00 178.31 178.26 1mc3 h ILE 91 N 0.26 0.00 -1.05 -0.55 2.04 -1.56 -0.74 117.51 115.92 1mc3 h ILE 91 Ca -0.01 -0.08 0.27 0.00 1.00 0.00 0.00 64.86 66.05 1mc3 h ILE 91 Cb 1.14 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.13 1mc3 h ILE 91 CO 0.10 0.00 0.67 0.40 0.00 0.00 0.00 178.15 179.33 1mc3 h ILE 92 N -0.49 0.51 -0.50 -0.67 2.04 -0.96 -0.43 117.51 117.01 1mc3 h ILE 92 Ca -0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1mc3 h ILE 92 Cb 0.32 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1mc3 h ILE 92 CO 0.07 0.07 0.00 0.61 0.00 0.00 0.00 178.15 178.90 1mc3 n GLY 93 N -1.48 2.41 0.00 5.37 0.00 0.22 -4.63 105.19 107.09 1mc3 n GLY 93 Ca 0.26 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1mc3 n GLY 93 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mc3 n GLU 94 N 0.72 0.00 -0.51 1.61 2.13 -0.17 -1.29 120.64 123.12 1mc3 n GLU 94 Ca 0.21 0.58 0.43 0.00 0.66 0.00 0.00 57.16 59.04 1mc3 n GLU 94 Cb 0.85 -1.48 0.75 0.00 0.27 0.00 0.00 31.44 31.83 1mc3 n GLU 94 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1mc3 h THR 95 N 0.00 0.19 0.09 6.31 1.35 -1.82 -0.03 112.91 119.00 1mc3 h THR 95 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1mc3 h THR 95 Cb 0.00 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.57 1mc3 h THR 95 CO 0.00 0.01 -0.04 0.15 -0.25 0.00 0.00 175.52 175.38 1mc3 h PHE 96 N 0.04 -0.11 -0.47 4.73 3.57 -1.77 -3.29 116.94 119.63 1mc3 h PHE 96 Ca 0.77 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 62.28 1mc3 h PHE 96 Cb 2.93 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 41.68 1mc3 h PHE 96 CO -0.00 0.43 0.31 -0.07 -2.23 0.00 0.00 178.31 176.75 1mc3 h LEU 97 N -0.87 0.52 0.00 0.59 3.38 0.17 -3.47 115.31 115.64 1mc3 h LEU 97 Ca -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mc3 h LEU 97 Cb 0.58 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1mc3 h LEU 97 CO 0.02 0.38 0.00 -3.20 0.09 0.00 0.00 178.44 175.72 1mc3 n ASN 98 N -4.47 0.00 -0.19 -0.43 2.85 -0.16 -2.06 115.26 110.81 1mc3 n ASN 98 Ca 0.04 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.53 1mc3 n ASN 98 Cb 0.08 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.13 1mc3 n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1mc3 n GLY 99 N 0.00 0.45 3.80 8.20 0.00 -1.26 -4.89 105.19 111.49 1mc3 n GLY 99 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1mc3 n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mc3 s GLU 100 N -0.59 1.53 0.67 1.61 2.02 -0.87 -4.41 118.70 118.66 1mc3 s GLU 100 Ca 0.06 0.39 -0.11 0.00 0.02 0.00 0.00 54.97 55.32 1mc3 s GLU 100 Cb 0.04 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 1mc3 s GLU 100 CO 0.05 -1.95 1.05 -1.25 0.02 0.00 0.00 175.26 173.19 1mc3 s PRO 101 N -5.26 3.13 0.28 0.39 0.04 -1.26 -4.27 135.00 128.05 1mc3 s PRO 101 Ca 0.63 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1mc3 s PRO 101 Cb -0.14 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 1mc3 s PRO 101 CO 0.53 -0.94 0.23 -1.54 0.04 0.00 0.00 177.00 175.31 1mc3 s SER 102 N -3.75 1.14 -0.12 6.66 1.04 0.37 -2.27 113.70 116.76 1mc3 s SER 102 Ca 0.58 -1.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.34 1mc3 s SER 102 Cb -0.13 0.49 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1mc3 s SER 102 CO 0.52 -0.98 0.09 0.00 0.98 0.00 0.00 173.24 173.85 1mc3 s LEU 104 N 2.17 4.03 -0.07 0.00 2.96 -0.25 -0.30 118.68 127.23 1mc3 s LEU 104 Ca 0.03 0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1mc3 s LEU 104 Cb -0.14 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.56 1mc3 s LEU 104 CO -0.07 0.24 -0.05 0.54 -1.32 0.00 0.00 176.35 175.69 1mc3 s VAL 105 N -0.01 0.68 0.50 1.68 0.11 -0.88 -0.70 120.40 121.78 1mc3 s VAL 105 Ca 0.08 -0.13 -0.22 0.00 -2.93 0.00 0.00 61.98 58.77 1mc3 s VAL 105 Cb -0.12 -0.72 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1mc3 s VAL 105 CO 0.00 0.29 1.25 -0.76 -3.33 0.00 0.00 175.10 172.55 1mc3 s LEU 106 N 1.39 3.93 0.51 2.54 1.43 -0.14 -2.89 118.68 125.46 1mc3 s LEU 106 Ca -0.03 2.52 0.30 0.00 -1.03 0.00 0.00 54.13 55.88 1mc3 s LEU 106 Cb -0.13 -4.26 1.18 0.00 0.03 0.00 0.00 46.19 43.00 1mc3 s LEU 106 CO -0.03 -1.23 1.92 1.23 0.23 0.00 0.00 176.35 178.47 1mc3 h GLY 107 N 1.76 0.00 -3.37 -3.19 0.00 -1.35 -3.25 103.07 93.68 1mc3 h GLY 107 Ca -0.50 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 1mc3 h GLY 107 CO 0.59 0.00 0.20 2.09 0.00 0.00 0.00 176.54 179.42 1mc3 n ASP 108 N -3.21 4.70 -4.61 0.19 5.75 -1.26 -4.60 116.55 113.51 1mc3 n ASP 108 Ca 0.00 -3.22 -0.34 0.00 -0.01 0.00 0.00 54.79 51.22 1mc3 n ASP 108 Cb 0.36 -0.72 -0.10 0.00 -1.03 0.00 0.00 41.12 39.63 1mc3 n ASP 108 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1mc3 s ASN 109 N -1.20 5.37 -0.16 -1.12 0.02 -1.23 -0.96 114.94 115.66 1mc3 s ASN 109 Ca 0.53 0.05 -0.01 0.00 -1.02 0.00 0.00 52.86 52.41 1mc3 s ASN 109 Cb 0.43 -1.85 -0.01 0.00 0.02 0.00 0.00 41.25 39.84 1mc3 s ASN 109 CO 0.12 0.21 -0.11 -0.63 0.02 0.00 0.00 177.10 176.72 1mc3 s ILE 110 N 0.14 3.15 0.02 0.60 1.09 -0.81 -3.90 121.20 121.49 1mc3 s ILE 110 Ca 0.03 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 59.04 1mc3 s ILE 110 Cb -0.13 -2.35 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 1mc3 s ILE 110 CO 0.01 0.50 -0.22 -0.36 -0.10 0.00 0.00 174.94 174.78 1mc3 s PHE 111 N 0.66 1.91 -0.29 3.97 0.40 -1.26 -1.94 117.98 121.43 1mc3 s PHE 111 Ca -0.06 -0.37 -0.15 0.00 -0.60 0.00 0.00 56.93 55.75 1mc3 s PHE 111 Cb -0.15 -1.17 0.14 0.00 0.51 0.00 0.00 43.02 42.35 1mc3 s PHE 111 CO 0.02 0.05 0.92 0.12 0.70 0.00 0.00 175.22 177.03 1mc3 s PHE 112 N -0.69 -0.74 0.11 0.36 5.36 -0.89 -4.99 117.98 116.50 1mc3 s PHE 112 Ca 0.08 1.37 -0.26 0.00 -0.96 0.00 0.00 56.93 57.16 1mc3 s PHE 112 Cb -0.09 0.44 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 1mc3 s PHE 112 CO 0.01 -0.37 0.98 0.20 -1.46 0.00 0.00 175.22 174.58 1mc3 s GLY 113 N 1.93 -0.29 0.28 13.12 0.00 -1.26 0.33 107.32 121.43 1mc3 s GLY 113 Ca -0.07 0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.77 1mc3 s GLY 113 CO -0.17 0.08 0.86 1.62 0.00 0.00 0.00 173.10 175.49 1mc3 s GLN 114 N -3.17 4.46 0.00 2.90 2.00 -1.26 -3.67 119.66 120.92 1mc3 s GLN 114 Ca 0.11 1.15 0.00 0.00 -2.00 0.00 0.00 55.36 54.62 1mc3 s GLN 114 Cb -0.01 -2.83 0.00 0.00 0.80 0.00 0.00 33.01 30.97 1mc3 s GLN 114 CO -0.00 0.32 0.00 0.41 -0.50 0.00 0.00 175.29 175.52 1mc3 n GLY 115 N 0.62 0.40 0.36 2.59 0.00 -1.26 -4.91 105.19 102.99 1mc3 n GLY 115 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mc3 n GLY 115 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1mc3 h PHE 116 N 0.00 -0.99 -0.33 1.61 3.57 -2.00 -3.11 116.94 115.69 1mc3 h PHE 116 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1mc3 h PHE 116 Cb 0.26 0.44 -0.08 0.00 2.79 0.00 0.00 35.95 39.35 1mc3 h PHE 116 CO 0.16 -0.44 -0.30 0.66 -2.23 0.00 0.00 178.31 176.16 1mc3 h SER 117 N -0.51 -0.99 -0.99 0.41 4.64 -1.88 0.38 113.55 114.61 1mc3 h SER 117 Ca 0.06 0.17 0.19 0.00 -0.47 0.00 0.00 61.79 61.75 1mc3 h SER 117 Cb 0.59 0.46 -0.10 0.00 -0.31 0.00 0.00 62.40 63.05 1mc3 h SER 117 CO -0.29 -0.31 0.61 -0.65 -0.87 0.00 0.00 176.83 175.32 1mc3 h PRO 118 N -0.27 0.68 -0.01 4.77 0.11 -1.87 0.93 132.00 136.34 1mc3 h PRO 118 Ca 0.16 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1mc3 h PRO 118 Cb 0.52 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1mc3 h PRO 118 CO -0.48 0.45 -0.33 -0.22 -0.21 0.00 0.00 178.00 177.20 1mc3 h LYS 119 N 0.70 0.01 -0.04 1.05 3.64 -0.91 -1.59 116.57 119.43 1mc3 h LYS 119 Ca 0.56 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.81 1mc3 h LYS 119 Cb 0.96 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1mc3 h LYS 119 CO -0.34 0.35 -0.47 -0.07 -2.27 0.00 0.00 179.45 176.65 1mc3 h LEU 120 N 0.01 0.47 -0.11 5.20 3.38 0.20 -2.74 115.31 121.73 1mc3 h LEU 120 Ca -0.00 -0.71 0.01 0.00 0.09 0.00 0.00 57.88 57.27 1mc3 h LEU 120 Cb 0.60 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1mc3 h LEU 120 CO 0.04 1.12 0.03 0.03 0.09 0.00 0.00 178.44 179.76 1mc3 h ARG 121 N -0.13 0.08 -0.32 1.13 2.47 -0.66 0.34 114.38 117.30 1mc3 h ARG 121 Ca -0.05 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.72 1mc3 h ARG 121 Cb 1.16 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.41 1mc3 h ARG 121 CO 0.09 0.06 0.01 1.25 0.56 0.00 0.00 179.97 181.94 1mc3 h HIS 122 N 0.09 0.01 0.00 3.04 2.76 -1.36 0.46 115.15 120.15 1mc3 h HIS 122 Ca 0.05 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1mc3 h HIS 122 Cb 0.03 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1mc3 h HIS 122 CO -0.10 -0.04 0.00 -0.39 -1.30 0.00 0.00 177.93 176.09 1mc3 h VAL 123 N 0.11 0.00 0.11 5.26 -1.51 -1.13 -2.72 116.25 116.37 1mc3 h VAL 123 Ca 0.15 -0.37 -0.32 0.00 -1.23 0.00 0.00 66.70 64.94 1mc3 h VAL 123 Cb 0.20 1.34 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1mc3 h VAL 123 CO -0.25 0.00 -1.63 0.00 -1.23 0.00 0.00 177.57 174.47 1mc3 h ALA 124 N 2.02 0.35 0.00 5.19 0.00 0.14 -3.32 119.26 123.64 1mc3 h ALA 124 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 1mc3 h ALA 124 Cb 0.38 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1mc3 h ALA 124 CO 0.00 1.21 0.00 0.00 0.00 0.00 0.00 179.25 180.46 1mc3 n ALA 125 N -2.71 1.10 -1.76 0.00 0.00 0.15 -4.68 120.51 112.60 1mc3 n ALA 125 Ca -0.19 0.09 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 1mc3 n ALA 125 Cb 1.05 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 1mc3 n ALA 125 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1mc3 s ARG 126 N -3.27 4.60 -0.41 0.00 0.52 -1.24 -5.00 118.95 114.15 1mc3 s ARG 126 Ca -0.00 1.81 0.01 0.00 -0.52 0.00 0.00 55.73 57.03 1mc3 s ARG 126 Cb 0.04 -3.15 0.14 0.00 0.52 0.00 0.00 34.95 32.50 1mc3 s ARG 126 CO 0.13 0.17 0.22 0.95 0.02 0.00 0.00 175.30 176.80 1mc3 s THR 127 N -1.19 0.95 0.00 0.02 -4.23 -1.26 -5.02 115.64 104.91 1mc3 s THR 127 Ca 0.45 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1mc3 s THR 127 Cb -0.32 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 71.85 1mc3 s THR 127 CO 0.41 -0.92 0.00 1.21 -0.54 0.00 0.00 174.62 174.78 1mc3 n GLU 128 N 3.75 0.00 0.00 3.99 0.00 -1.26 -5.15 120.64 121.97 1mc3 n GLU 128 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1mc3 n GLU 128 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.79 1mc3 n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1mc3 n GLY 129 N 0.00 0.10 3.49 8.31 0.00 -1.26 -5.06 105.19 110.77 1mc3 n GLY 129 Ca 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 1mc3 n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mc3 s ALA 130 N -2.00 -1.73 -0.11 4.61 0.00 -0.96 -3.96 121.76 117.62 1mc3 s ALA 130 Ca 0.00 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 53.03 1mc3 s ALA 130 Cb 0.00 0.23 0.05 0.00 0.00 0.00 0.00 23.12 23.40 1mc3 s ALA 130 CO 0.00 -0.48 0.16 0.99 0.00 0.00 0.00 175.76 176.44 1mc3 s THR 131 N -1.88 -0.26 0.12 0.00 2.01 -0.03 -1.97 115.64 113.64 1mc3 s THR 131 Ca -0.08 0.26 0.09 0.00 0.31 0.00 0.00 61.69 62.28 1mc3 s THR 131 Cb -0.00 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1mc3 s THR 131 CO 0.04 0.08 -0.20 0.68 -0.69 0.00 0.00 174.62 174.52 1mc3 s VAL 132 N 2.29 2.70 -0.10 3.82 -7.23 -1.08 -1.36 120.40 119.43 1mc3 s VAL 132 Ca 0.04 -1.55 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 1mc3 s VAL 132 Cb -0.13 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1mc3 s VAL 132 CO -0.07 0.11 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.45 1mc3 s PHE 133 N -1.11 3.07 0.22 2.82 0.40 -1.25 0.36 117.98 122.49 1mc3 s PHE 133 Ca 0.17 0.02 0.07 0.00 -0.60 0.00 0.00 56.93 56.59 1mc3 s PHE 133 Cb -0.10 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.57 1mc3 s PHE 133 CO 0.09 0.30 0.14 0.20 0.70 0.00 0.00 175.22 176.65 1mc3 s GLY 134 N -0.51 1.55 -0.15 4.36 0.00 -0.13 -0.23 107.32 112.20 1mc3 s GLY 134 Ca 0.08 -1.38 -0.08 0.00 0.00 0.00 0.00 44.72 43.35 1mc3 s GLY 134 CO 0.02 -1.41 0.35 -0.47 0.00 0.00 0.00 173.10 171.59 1mc3 s TYR 135 N -2.01 -0.52 -0.53 1.90 5.04 -0.02 -0.93 117.35 120.28 1mc3 s TYR 135 Ca 0.32 1.13 -0.27 0.00 -2.44 0.00 0.00 57.07 55.81 1mc3 s TYR 135 Cb -0.08 0.19 -0.03 0.00 0.35 0.00 0.00 41.96 42.39 1mc3 s TYR 135 CO 0.23 -0.31 1.94 -0.65 -1.34 0.00 0.00 175.55 175.42 1mc3 s GLN 136 N 1.43 2.68 0.00 4.97 -0.21 -1.26 -0.46 119.66 126.81 1mc3 s GLN 136 Ca -0.09 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.20 1mc3 s GLN 136 Cb -0.09 -4.38 0.00 0.00 1.00 0.00 0.00 33.01 29.53 1mc3 s GLN 136 CO -0.11 -2.65 0.00 1.55 -2.12 0.00 0.00 175.29 171.96 1mc3 n VAL 137 N 7.38 0.00 -1.19 1.09 3.14 -0.35 -4.94 118.33 123.47 1mc3 n VAL 137 Ca 0.24 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.62 1mc3 n VAL 137 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 1mc3 n VAL 137 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1mc3 n ASP 139 N 0.00 0.00 -0.29 6.55 10.43 -1.26 -4.83 116.55 127.15 1mc3 n ASP 139 Ca 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.31 1mc3 n ASP 139 Cb 0.00 0.00 0.07 0.00 1.84 0.00 0.00 41.12 43.03 1mc3 n ASP 139 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1mc3 h PRO 140 N 0.46 1.11 -0.32 -0.24 0.11 -1.91 -2.95 132.00 128.27 1mc3 h PRO 140 Ca 0.00 -0.15 0.03 0.00 0.11 0.00 0.00 66.00 66.00 1mc3 h PRO 140 Cb 0.00 -0.21 -0.05 0.00 0.11 0.00 0.00 31.00 30.85 1mc3 h PRO 140 CO 0.00 0.84 -0.32 0.93 -0.21 0.00 0.00 178.00 179.24 1mc3 h GLU 141 N 1.09 -0.16 -0.00 1.05 3.07 -1.89 0.94 114.58 118.68 1mc3 h GLU 141 Ca 0.27 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1mc3 h GLU 141 Cb 0.07 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1mc3 h GLU 141 CO -0.04 -0.10 0.00 0.54 -1.40 0.00 0.00 179.01 178.01 1mc3 n ARG 142 N -4.23 0.03 -4.02 2.33 1.74 -1.12 -3.75 116.66 107.65 1mc3 n ARG 142 Ca -0.01 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.99 1mc3 n ARG 142 Cb 0.18 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 1mc3 n ARG 142 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1mc3 s PHE 143 N -1.89 0.38 0.12 -1.55 -0.00 0.32 -4.96 117.98 110.41 1mc3 s PHE 143 Ca 0.00 -0.84 -0.30 0.00 -0.00 0.00 0.00 56.93 55.79 1mc3 s PHE 143 Cb 0.00 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.02 42.68 1mc3 s PHE 143 CO 0.00 -0.38 1.04 0.20 -0.00 0.00 0.00 175.22 176.08 1mc3 s GLY 144 N -2.60 2.87 0.12 1.99 0.00 -1.26 -2.82 107.32 105.62 1mc3 s GLY 144 Ca 0.02 0.69 0.11 0.00 0.00 0.00 0.00 44.72 45.54 1mc3 s GLY 144 CO -0.08 1.62 -0.27 0.14 0.00 0.00 0.00 173.10 174.51 1mc3 s VAL 145 N 0.11 2.26 -0.23 1.40 1.01 -0.96 -1.29 120.40 122.70 1mc3 s VAL 145 Ca 0.50 -1.72 0.01 0.00 0.00 0.00 0.00 61.98 60.76 1mc3 s VAL 145 Cb -0.26 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.16 1mc3 s VAL 145 CO 0.32 0.12 -0.13 0.54 0.00 0.00 0.00 175.10 175.94 1mc3 s VAL 146 N -1.04 2.33 -0.02 2.92 0.11 -0.75 -2.94 120.40 121.01 1mc3 s VAL 146 Ca 0.14 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 57.88 1mc3 s VAL 146 Cb -0.10 -2.17 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1mc3 s VAL 146 CO 0.06 0.25 0.32 -0.70 -3.33 0.00 0.00 175.10 171.70 1mc3 s GLU 147 N 1.24 3.73 0.10 1.54 2.12 -1.01 -4.66 118.70 121.75 1mc3 s GLU 147 Ca -0.01 0.18 -0.00 0.00 0.36 0.00 0.00 54.97 55.50 1mc3 s GLU 147 Cb -0.16 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1mc3 s GLU 147 CO -0.08 0.69 0.13 1.97 -0.54 0.00 0.00 175.26 177.44 1mc3 n PHE 148 N 1.66 -0.67 -3.65 5.30 -1.74 -1.26 -0.53 117.46 116.57 1mc3 n PHE 148 Ca -0.15 -0.67 -0.11 0.00 -0.56 0.00 0.00 57.45 55.97 1mc3 n PHE 148 Cb 0.53 0.15 -0.08 0.00 1.52 0.00 0.00 39.48 41.60 1mc3 n PHE 148 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1mc3 s ASP 149 N -1.61 -0.78 0.00 5.98 1.01 0.14 -4.70 116.67 116.70 1mc3 s ASP 149 Ca 0.08 1.37 0.00 0.00 0.71 0.00 0.00 52.55 54.71 1mc3 s ASP 149 Cb -0.00 1.31 0.00 0.00 1.01 0.00 0.00 42.92 45.24 1mc3 s ASP 149 CO 0.06 -0.23 0.00 -0.90 0.21 0.00 0.00 175.17 174.31 1mc3 n ASP 150 N 3.54 -0.79 0.00 0.27 5.75 -1.26 -1.61 116.55 122.45 1mc3 n ASP 150 Ca -0.17 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1mc3 n ASP 150 Cb 0.57 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1mc3 n ASP 150 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1mc3 n ASN 151 N 1.43 0.00 0.00 -1.12 6.94 -1.26 -4.74 115.26 116.51 1mc3 n ASN 151 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1mc3 n ASN 151 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1mc3 n ASN 151 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 1mc3 n PHE 152 N -2.00 0.00 0.00 -2.53 -0.00 -0.64 -4.48 117.46 107.81 1mc3 n PHE 152 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1mc3 n PHE 152 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.48 1mc3 n PHE 152 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 1mc3 n ARG 153 N 0.00 0.00 -0.60 -4.13 1.85 -1.26 0.26 116.66 112.78 1mc3 n ARG 153 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1mc3 n ARG 153 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1mc3 n ARG 153 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mc3 n ALA 154 N 0.00 -1.44 -0.02 2.89 0.00 -1.25 -4.64 120.51 116.05 1mc3 n ALA 154 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1mc3 n ALA 154 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1mc3 n ALA 154 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1mc3 h ILE 155 N 0.00 1.28 -4.15 0.00 2.04 -1.03 -3.46 117.51 112.18 1mc3 h ILE 155 Ca 0.00 -2.00 -0.36 0.00 1.00 0.00 0.00 64.86 63.51 1mc3 h ILE 155 Cb 0.00 2.01 -0.14 0.00 -0.74 0.00 0.00 36.82 37.95 1mc3 h ILE 155 CO 0.00 0.63 -0.58 -0.94 0.00 0.00 0.00 178.15 177.26 1mc3 s SER 156 N -7.13 1.10 -0.36 1.72 1.04 -1.06 -5.03 113.70 103.98 1mc3 s SER 156 Ca -0.10 -1.49 0.06 0.00 0.48 0.00 0.00 55.95 54.90 1mc3 s SER 156 Cb 0.08 0.35 0.18 0.00 0.10 0.00 0.00 66.02 66.73 1mc3 s SER 156 CO 0.91 -0.85 0.55 -0.76 0.98 0.00 0.00 173.24 174.06 1mc3 s LEU 157 N -3.30 -1.19 -0.09 2.42 2.01 -1.26 -2.40 118.68 114.86 1mc3 s LEU 157 Ca 0.37 -0.68 -0.12 0.00 0.01 0.00 0.00 54.13 53.71 1mc3 s LEU 157 Cb 0.06 1.61 -0.05 0.00 0.01 0.00 0.00 46.19 47.83 1mc3 s LEU 157 CO 0.16 -0.24 0.29 -1.61 1.01 0.00 0.00 176.35 175.96 1mc3 s GLU 158 N 2.06 3.89 0.12 1.70 8.01 -1.15 -4.95 118.70 128.37 1mc3 s GLU 158 Ca 0.14 0.14 -0.23 0.00 0.01 0.00 0.00 54.97 55.03 1mc3 s GLU 158 Cb -0.08 -3.28 -0.07 0.00 -4.31 0.00 0.00 34.13 26.38 1mc3 s GLU 158 CO -0.13 0.56 0.70 -1.21 0.01 0.00 0.00 175.26 175.19 1mc3 s GLU 159 N -0.53 4.43 -0.53 1.61 0.41 -1.26 -2.28 118.70 120.55 1mc3 s GLU 159 Ca 0.19 0.99 -0.01 0.00 -0.41 0.00 0.00 54.97 55.72 1mc3 s GLU 159 Cb -0.14 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1mc3 s GLU 159 CO 0.07 0.56 0.02 0.36 -0.49 0.00 0.00 175.26 175.78 1mc3 n LYS 160 N 1.80 -0.96 -1.51 1.61 0.00 -1.13 -4.49 118.16 113.47 1mc3 n LYS 160 Ca -0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.02 1mc3 n LYS 160 Cb 0.50 -1.16 -0.18 0.00 -0.00 0.00 0.00 35.03 34.19 1mc3 n LYS 160 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1mc3 n PRO 161 N -2.25 0.14 0.00 -1.58 -0.04 -1.25 -4.70 135.00 125.32 1mc3 n PRO 161 Ca -0.11 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.17 1mc3 n PRO 161 Cb 0.24 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1mc3 n PRO 161 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1mc3 n LYS 162 N 6.54 0.00 0.00 0.54 0.00 -1.26 -3.88 118.16 120.09 1mc3 n LYS 162 Ca 0.63 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1mc3 n LYS 162 Cb 0.20 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.63 1mc3 n LYS 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1mc3 n GLN 163 N -0.67 0.00 0.00 -1.58 0.00 -1.26 -5.09 117.38 108.78 1mc3 n GLN 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 1mc3 n GLN 163 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.35 1mc3 n GLN 163 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1mc3 n PRO 164 N -1.30 0.00 0.00 2.61 -0.04 -1.25 -4.97 135.00 130.04 1mc3 n PRO 164 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1mc3 n PRO 164 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1mc3 n PRO 164 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1mc3 n LYS 165 N 0.00 0.00 -3.84 0.54 0.00 -1.26 -4.87 118.16 108.73 1mc3 n LYS 165 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 1mc3 n LYS 165 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 35.03 35.06 1mc3 n LYS 165 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1mc3 s SER 166 N -4.00 0.03 -0.12 -5.58 1.04 -1.26 -4.91 113.70 98.89 1mc3 s SER 166 Ca 0.00 -1.02 0.15 0.00 0.48 0.00 0.00 55.95 55.56 1mc3 s SER 166 Cb 0.00 0.73 0.50 0.00 0.10 0.00 0.00 66.02 67.35 1mc3 s SER 166 CO 0.00 -1.46 1.41 -0.46 0.98 0.00 0.00 173.24 173.71 1mc3 n ASN 167 N -1.44 3.80 -4.56 7.02 2.04 -1.26 -4.91 115.26 115.93 1mc3 n ASN 167 Ca -0.06 -2.66 -0.41 0.00 -0.44 0.00 0.00 54.58 51.01 1mc3 n ASN 167 Cb 0.60 -0.46 -0.08 0.00 -2.53 0.00 0.00 39.78 37.30 1mc3 n ASN 167 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1mc3 s TRP 168 N -2.20 3.20 0.21 -2.53 0.52 -1.26 -1.21 118.94 115.68 1mc3 s TRP 168 Ca 0.38 0.18 -0.13 0.00 0.02 0.00 0.00 56.10 56.55 1mc3 s TRP 168 Cb 0.28 -2.78 -0.07 0.00 -1.15 0.00 0.00 33.47 29.75 1mc3 s TRP 168 CO 0.13 -0.44 0.60 0.00 0.02 0.00 0.00 176.95 177.25 1mc3 s ALA 169 N 2.22 3.52 -0.34 0.98 0.00 0.39 -1.81 121.76 126.72 1mc3 s ALA 169 Ca 0.16 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 1mc3 s ALA 169 Cb -0.16 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.41 1mc3 s ALA 169 CO 0.12 0.44 0.90 0.08 0.00 0.00 0.00 175.76 177.30 1mc3 s VAL 170 N -1.68 4.65 0.84 0.00 1.01 -0.41 -0.84 120.40 123.97 1mc3 s VAL 170 Ca 0.44 1.29 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1mc3 s VAL 170 Cb -0.13 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 32.07 1mc3 s VAL 170 CO 0.20 -0.42 1.12 0.42 0.00 0.00 0.00 175.10 176.41 1mc3 s THR 171 N 3.31 2.61 -0.16 3.92 -4.23 0.68 -4.79 115.64 116.97 1mc3 s THR 171 Ca 0.37 0.20 -0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1mc3 s THR 171 Cb -0.13 -2.96 -0.10 0.00 1.34 0.00 0.00 72.50 70.65 1mc3 s THR 171 CO 0.16 -0.26 3.02 0.61 -0.54 0.00 0.00 174.62 177.61 1mc3 n GLY 172 N -2.23 3.42 2.79 3.99 0.00 -1.26 -4.71 105.19 107.20 1mc3 n GLY 172 Ca 0.07 -1.23 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 1mc3 n GLY 172 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mc3 s LEU 173 N -0.79 0.67 0.03 0.99 2.96 -1.26 -0.96 118.68 120.32 1mc3 s LEU 173 Ca 0.53 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1mc3 s LEU 173 Cb 0.29 -0.50 -0.02 0.00 0.50 0.00 0.00 46.19 46.46 1mc3 s LEU 173 CO -0.06 -0.18 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.43 1mc3 s TYR 174 N 1.93 0.39 -0.08 5.38 1.51 0.13 -3.87 117.35 122.74 1mc3 s TYR 174 Ca 0.05 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1mc3 s TYR 174 Cb -0.12 -0.26 0.01 0.00 -0.11 0.00 0.00 41.96 41.48 1mc3 s TYR 174 CO -0.06 -0.19 -0.14 -0.06 -1.11 0.00 0.00 175.55 173.99 1mc3 s PHE 175 N -1.81 1.73 0.23 2.71 0.40 -0.47 -1.09 117.98 119.69 1mc3 s PHE 175 Ca -0.11 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.53 1mc3 s PHE 175 Cb -0.07 -1.25 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 1mc3 s PHE 175 CO -0.02 -0.36 0.02 0.71 0.70 0.00 0.00 175.22 176.27 1mc3 s TYR 176 N 0.76 1.53 0.47 0.36 1.51 -0.02 -0.85 117.35 121.11 1mc3 s TYR 176 Ca -0.12 -0.99 0.02 0.00 -1.01 0.00 0.00 57.07 54.97 1mc3 s TYR 176 Cb -0.16 -0.90 0.02 0.00 -0.11 0.00 0.00 41.96 40.82 1mc3 s TYR 176 CO 0.02 -0.13 0.21 -0.40 -1.11 0.00 0.00 175.55 174.14 1mc3 n ASP 177 N -0.42 2.86 -0.32 2.29 5.68 -1.25 -0.48 116.55 124.90 1mc3 n ASP 177 Ca -0.04 -2.81 0.27 0.00 -0.50 0.00 0.00 54.79 51.71 1mc3 n ASP 177 Cb 0.64 0.12 0.58 0.00 -1.14 0.00 0.00 41.12 41.32 1mc3 n ASP 177 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1mc3 h SER 178 N 0.80 0.31 0.00 -1.12 0.02 -1.77 -0.37 113.55 111.42 1mc3 h SER 178 Ca -0.34 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1mc3 h SER 178 Cb 1.13 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1mc3 h SER 178 CO 0.54 0.05 0.01 0.29 -1.14 0.00 0.00 176.83 176.58 1mc3 n LYS 179 N -4.51 0.08 -0.04 3.45 4.01 -1.26 -3.40 118.16 116.49 1mc3 n LYS 179 Ca 0.26 0.57 -0.09 0.00 -0.51 0.00 0.00 58.31 58.54 1mc3 n LYS 179 Cb 1.00 -1.76 -0.02 0.00 -0.51 0.00 0.00 35.03 33.73 1mc3 n LYS 179 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1mc3 h VAL 180 N 0.00 0.87 0.00 -0.18 3.04 -1.45 -1.81 116.25 116.73 1mc3 h VAL 180 Ca 0.00 -0.03 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 1mc3 h VAL 180 Cb 0.02 0.78 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 1mc3 h VAL 180 CO 0.00 0.02 -0.37 0.58 -1.01 0.00 0.00 177.57 176.79 1mc3 h VAL 181 N 0.08 1.19 0.62 1.51 2.07 -1.80 -2.02 116.25 117.89 1mc3 h VAL 181 Ca 0.09 -1.29 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 1mc3 h VAL 181 Cb 0.11 1.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1mc3 h VAL 181 CO -0.15 0.36 -0.30 -0.08 0.02 0.00 0.00 177.57 177.43 1mc3 h GLU 182 N 0.00 -0.80 0.30 1.57 4.22 -1.64 -3.12 114.58 115.12 1mc3 h GLU 182 Ca -0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1mc3 h GLU 182 Cb 0.68 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1mc3 h GLU 182 CO 0.05 -0.49 -0.50 1.88 -2.18 0.00 0.00 179.01 177.77 1mc3 h TYR 183 N -0.97 -1.40 -1.50 0.92 0.99 -0.91 -2.51 116.97 111.58 1mc3 h TYR 183 Ca -0.08 0.02 0.45 0.00 2.00 0.00 0.00 58.73 61.12 1mc3 h TYR 183 Cb 0.68 0.57 -0.08 0.00 1.00 0.00 0.00 36.73 38.90 1mc3 h TYR 183 CO -0.01 -0.62 1.05 0.00 -0.00 0.00 0.00 178.16 178.59 1mc3 h ALA 184 N -0.61 3.25 0.00 3.88 0.00 -1.45 0.48 119.26 124.80 1mc3 h ALA 184 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1mc3 h ALA 184 Cb 0.80 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1mc3 h ALA 184 CO -0.18 -1.75 -0.27 0.87 0.00 0.00 0.00 179.25 177.93 1mc3 h LYS 185 N 0.05 0.00 -0.90 0.00 1.57 -1.38 -2.98 116.57 112.94 1mc3 h LYS 185 Ca 0.77 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 59.06 1mc3 h LYS 185 Cb 2.85 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 34.88 1mc3 h LYS 185 CO -0.13 0.27 0.55 0.00 -0.57 0.00 0.00 179.45 179.57 1mc3 n GLN 186 N -3.51 2.28 -3.86 3.15 10.64 0.17 -4.93 117.38 121.32 1mc3 n GLN 186 Ca -0.00 -3.10 -0.37 0.00 -1.83 0.00 0.00 57.00 51.70 1mc3 n GLN 186 Cb 0.43 -2.14 -0.06 0.00 -0.86 0.00 0.00 30.24 27.60 1mc3 n GLN 186 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1mc3 s VAL 187 N -3.55 5.49 0.17 -0.39 1.01 -1.13 -5.09 120.40 116.91 1mc3 s VAL 187 Ca 0.56 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1mc3 s VAL 187 Cb 0.47 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1mc3 s VAL 187 CO 0.07 0.59 -0.02 -1.59 0.00 0.00 0.00 175.10 174.15 1mc3 s LYS 188 N -0.80 2.33 0.17 2.72 0.00 -1.26 -5.04 119.74 117.85 1mc3 s LYS 188 Ca 0.14 -1.13 -0.34 0.00 0.00 0.00 0.00 55.97 54.64 1mc3 s LYS 188 Cb -0.12 -2.32 -0.14 0.00 0.00 0.00 0.00 37.83 35.26 1mc3 s LYS 188 CO 0.03 0.45 1.59 -2.30 0.00 0.00 0.00 175.35 175.12 1mc3 n PRO 189 N -0.04 2.22 -0.44 1.78 -0.02 -1.26 -4.69 135.00 132.55 1mc3 n PRO 189 Ca -0.10 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 61.93 1mc3 n PRO 189 Cb 0.55 -2.58 0.23 0.00 -0.02 0.00 0.00 33.50 31.69 1mc3 n PRO 189 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1mc3 n SER 190 N 3.43 -3.12 0.10 2.55 3.41 -0.22 -4.75 113.62 115.02 1mc3 n SER 190 Ca 0.17 -0.85 0.02 0.00 -0.26 0.00 0.00 58.87 57.95 1mc3 n SER 190 Cb 0.30 -0.83 0.39 0.00 -0.26 0.00 0.00 64.21 63.81 1mc3 n SER 190 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1mc3 h GLU 191 N 0.00 0.30 0.00 4.33 9.09 -1.94 -1.61 114.58 124.75 1mc3 h GLU 191 Ca -0.33 -0.06 0.00 0.00 0.05 0.00 0.00 59.36 59.02 1mc3 h GLU 191 Cb 1.09 -0.05 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1mc3 h GLU 191 CO 0.21 0.38 0.00 2.89 0.05 0.00 0.00 179.01 182.54 1mc3 n ARG 192 N -4.31 0.14 -0.60 1.06 -4.01 -1.26 -4.91 116.66 102.77 1mc3 n ARG 192 Ca -0.00 0.37 0.00 0.00 -1.04 0.00 0.00 57.85 57.18 1mc3 n ARG 192 Cb 0.23 -1.76 0.00 0.00 -3.04 0.00 0.00 32.46 27.89 1mc3 n ARG 192 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1mc3 n GLY 193 N 0.03 0.69 3.59 2.89 0.00 -0.60 -5.06 105.19 106.73 1mc3 n GLY 193 Ca 0.03 -0.06 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1mc3 n GLY 193 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mc3 s GLU 194 N -0.48 1.96 -0.62 1.61 2.02 -1.26 -4.79 118.70 117.14 1mc3 s GLU 194 Ca 0.00 -1.84 -0.21 0.00 0.02 0.00 0.00 54.97 52.94 1mc3 s GLU 194 Cb 0.00 -1.82 0.08 0.00 0.10 0.00 0.00 34.13 32.49 1mc3 s GLU 194 CO 0.00 0.14 0.82 -0.51 0.02 0.00 0.00 175.26 175.73 1mc3 s LEU 195 N -3.67 4.88 0.31 1.80 1.43 -0.19 -1.06 118.68 122.19 1mc3 s LEU 195 Ca 0.34 -1.17 -0.29 0.00 -1.03 0.00 0.00 54.13 51.97 1mc3 s LEU 195 Cb 0.01 -2.38 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 1mc3 s LEU 195 CO 0.18 -1.25 1.19 -1.61 0.23 0.00 0.00 176.35 175.09 1mc3 s GLU 196 N 3.33 4.50 0.43 1.70 0.41 -1.26 -1.34 118.70 126.48 1mc3 s GLU 196 Ca 0.17 1.98 0.21 0.00 -0.41 0.00 0.00 54.97 56.92 1mc3 s GLU 196 Cb -0.20 -3.12 0.96 0.00 -1.78 0.00 0.00 34.13 29.98 1mc3 s GLU 196 CO 0.09 0.03 1.87 0.97 -0.49 0.00 0.00 175.26 177.72 1mc3 h ILE 197 N 3.05 0.80 -0.80 -1.63 6.09 -1.96 -2.69 117.51 120.36 1mc3 h ILE 197 Ca -0.48 -1.11 0.03 0.00 -1.37 0.00 0.00 64.86 61.93 1mc3 h ILE 197 Cb 1.22 1.68 -0.04 0.00 0.47 0.00 0.00 36.82 40.15 1mc3 h ILE 197 CO 0.66 0.27 0.53 0.74 -3.07 0.00 0.00 178.15 177.28 1mc3 h THR 198 N 0.00 1.14 -0.03 2.19 2.02 -1.99 -1.53 112.91 114.71 1mc3 h THR 198 Ca -0.00 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 66.85 1mc3 h THR 198 Cb 0.66 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1mc3 h THR 198 CO 0.04 0.18 -0.08 0.28 0.37 0.00 0.00 175.52 176.31 1mc3 h SER 199 N 1.01 -0.24 -0.34 4.18 0.02 -1.88 0.24 113.55 116.53 1mc3 h SER 199 Ca 0.31 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.40 1mc3 h SER 199 Cb 0.01 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1mc3 h SER 199 CO -0.09 -0.12 0.27 0.40 -1.14 0.00 0.00 176.83 176.16 1mc3 h ILE 200 N -0.12 0.70 0.11 3.27 2.04 -1.40 -0.65 117.51 121.46 1mc3 h ILE 200 Ca 0.04 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.63 1mc3 h ILE 200 Cb 0.18 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1mc3 h ILE 200 CO -0.11 0.00 -1.31 0.78 0.00 0.00 0.00 178.15 177.51 1mc3 h ASN 201 N 0.00 0.38 0.00 1.72 2.35 -0.42 -3.21 115.58 116.40 1mc3 h ASN 201 Ca 0.16 -0.44 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1mc3 h ASN 201 Cb 0.70 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1mc3 h ASN 201 CO -0.00 1.35 0.00 1.67 -1.65 0.00 0.00 177.43 178.80 1mc3 n GLN 202 N -3.49 0.20 0.00 0.81 -0.06 0.68 -1.91 117.38 113.62 1mc3 n GLN 202 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.90 1mc3 n GLN 202 Cb 1.02 -1.40 0.00 0.00 -4.06 0.00 0.00 30.24 25.80 1mc3 n GLN 202 CO 0.00 0.00 0.00 0.66 -0.20 0.00 0.00 177.06 177.52 1mc3 n TYR 204 N 1.54 0.00 0.26 3.69 4.02 -1.21 -2.82 117.16 122.64 1mc3 n TYR 204 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 1mc3 n TYR 204 Cb 0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1mc3 n TYR 204 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1mc3 h LEU 205 N 0.00 -0.57 -0.26 7.72 5.85 -1.69 -0.03 115.31 126.33 1mc3 h LEU 205 Ca 0.00 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1mc3 h LEU 205 Cb 0.00 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 1mc3 h LEU 205 CO 0.00 -0.36 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.11 1mc3 h GLU 206 N -0.76 -0.29 0.00 1.25 5.08 -1.82 0.49 114.58 118.54 1mc3 h GLU 206 Ca -0.07 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1mc3 h GLU 206 Cb 0.51 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1mc3 h GLU 206 CO 0.11 -0.19 0.02 0.00 -1.00 0.00 0.00 179.01 177.95 1mc3 n ALA 207 N -2.89 1.15 -0.88 3.43 0.00 -1.22 -4.73 120.51 115.37 1mc3 n ALA 207 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mc3 n ALA 207 Cb 0.32 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1mc3 n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mc3 n GLY 208 N -1.06 0.29 2.78 0.00 0.00 0.17 -4.89 105.19 102.47 1mc3 n GLY 208 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1mc3 n GLY 208 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1mc3 n ASN 209 N -0.35 6.85 -3.68 1.61 0.23 -0.06 -4.90 115.26 114.95 1mc3 n ASN 209 Ca 0.00 -3.77 -0.29 0.00 -0.53 0.00 0.00 54.58 49.99 1mc3 n ASN 209 Cb 0.18 -0.97 -0.13 0.00 -2.08 0.00 0.00 39.78 36.77 1mc3 n ASN 209 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1mc3 s LEU 210 N -4.03 2.47 0.41 -4.53 2.96 -1.15 -2.28 118.68 112.53 1mc3 s LEU 210 Ca 0.47 -2.57 -0.23 0.00 -0.22 0.00 0.00 54.13 51.58 1mc3 s LEU 210 Cb 0.35 -0.95 -0.10 0.00 0.50 0.00 0.00 46.19 45.99 1mc3 s LEU 210 CO -0.28 -0.27 1.00 0.28 -1.32 0.00 0.00 176.35 175.76 1mc3 s THR 211 N 0.44 3.99 -0.08 3.68 -1.32 -0.83 -4.20 115.64 117.32 1mc3 s THR 211 Ca 0.18 1.43 0.02 0.00 -1.21 0.00 0.00 61.69 62.11 1mc3 s THR 211 Cb -0.24 -3.69 -0.02 0.00 -1.51 0.00 0.00 72.50 67.04 1mc3 s THR 211 CO 0.00 -0.09 -0.15 -0.69 -2.21 0.00 0.00 174.62 171.49 1mc3 s VAL 212 N -1.83 2.99 -0.24 5.08 1.01 -1.26 -2.63 120.40 123.52 1mc3 s VAL 212 Ca 0.59 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 1mc3 s VAL 212 Cb -0.17 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1mc3 s VAL 212 CO 0.22 0.56 -0.05 -0.70 0.00 0.00 0.00 175.10 175.13 1mc3 s GLU 213 N -0.27 3.07 -0.08 2.72 2.56 0.16 -4.87 118.70 121.99 1mc3 s GLU 213 Ca 0.02 -0.83 -0.30 0.00 0.00 0.00 0.00 54.97 53.86 1mc3 s GLU 213 Cb -0.13 -3.00 -0.02 0.00 2.00 0.00 0.00 34.13 32.98 1mc3 s GLU 213 CO 0.03 -0.31 1.11 -0.51 -0.56 0.00 0.00 175.26 175.02 1mc3 s LEU 214 N 1.39 4.26 -0.83 2.70 1.43 -1.26 -0.95 118.68 125.42 1mc3 s LEU 214 Ca 0.03 1.68 -0.17 0.00 -1.03 0.00 0.00 54.13 54.64 1mc3 s LEU 214 Cb -0.15 -3.56 0.16 0.00 0.03 0.00 0.00 46.19 42.66 1mc3 s LEU 214 CO -0.04 -0.53 0.93 -0.76 0.23 0.00 0.00 176.35 176.18 1mc3 s LEU 215 N 2.14 5.70 0.00 1.79 1.43 -0.10 -4.91 118.68 124.73 1mc3 s LEU 215 Ca 0.52 -2.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1mc3 s LEU 215 Cb -0.22 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.69 1mc3 s LEU 215 CO 0.20 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.48 1mc3 n GLY 216 N 4.92 -3.23 0.35 -3.19 0.00 -1.26 -4.62 105.19 98.15 1mc3 n GLY 216 Ca 0.14 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1mc3 n GLY 216 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1mc3 h ARG 217 N 0.00 -0.71 0.00 1.61 0.11 -2.02 -3.06 114.38 110.31 1mc3 h ARG 217 Ca 0.00 0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1mc3 h ARG 217 Cb 0.00 0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1mc3 h ARG 217 CO 0.00 -0.47 0.00 0.41 0.10 0.00 0.00 179.97 180.01 1mc3 n GLY 218 N -1.40 -0.06 3.87 0.08 0.00 -1.26 -4.72 105.19 101.70 1mc3 n GLY 218 Ca -0.09 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1mc3 n GLY 218 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1mc3 s PHE 219 N -2.00 3.59 -0.08 1.61 0.40 -1.16 -4.39 117.98 115.96 1mc3 s PHE 219 Ca 0.02 0.70 0.01 0.00 -0.60 0.00 0.00 56.93 57.06 1mc3 s PHE 219 Cb 0.01 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 1mc3 s PHE 219 CO 0.02 0.57 -0.09 0.00 0.70 0.00 0.00 175.22 176.42 1mc3 s ALA 220 N -1.33 2.86 -0.01 5.36 0.00 0.15 -4.96 121.76 123.83 1mc3 s ALA 220 Ca 0.30 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1mc3 s ALA 220 Cb -0.14 -1.18 0.01 0.00 0.00 0.00 0.00 23.12 21.81 1mc3 s ALA 220 CO 0.17 0.50 0.00 -0.46 0.00 0.00 0.00 175.76 175.97 1mc3 s TRP 221 N -0.57 0.15 0.04 0.00 -0.00 -1.26 -2.08 118.94 115.21 1mc3 s TRP 221 Ca 0.08 0.02 0.01 0.00 -0.00 0.00 0.00 56.10 56.21 1mc3 s TRP 221 Cb -0.12 -0.21 -0.02 0.00 -0.00 0.00 0.00 33.47 33.12 1mc3 s TRP 221 CO 0.02 -0.06 -0.05 -0.51 -0.00 0.00 0.00 176.95 176.35 1mc3 s LEU 222 N 0.52 2.29 -0.67 5.86 1.43 -0.82 -5.00 118.68 122.29 1mc3 s LEU 222 Ca -0.05 -0.60 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1mc3 s LEU 222 Cb -0.07 0.01 0.16 0.00 0.03 0.00 0.00 46.19 46.32 1mc3 s LEU 222 CO -0.01 -0.31 0.45 -0.62 0.23 0.00 0.00 176.35 176.09 1mc3 s ASP 223 N -1.74 4.78 -0.75 2.29 -1.08 -1.26 -1.92 116.67 116.99 1mc3 s ASP 223 Ca -0.10 -3.61 -0.26 0.00 -0.52 0.00 0.00 52.55 48.06 1mc3 s ASP 223 Cb -0.07 -1.66 -0.08 0.00 -1.46 0.00 0.00 42.92 39.65 1mc3 s ASP 223 CO -0.02 -0.13 2.17 0.42 0.52 0.00 0.00 175.17 178.13 1mc3 s THR 224 N -1.12 3.21 0.00 1.71 -4.23 -0.13 -4.56 115.64 110.51 1mc3 s THR 224 Ca 0.23 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1mc3 s THR 224 Cb -0.11 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.25 1mc3 s THR 224 CO -0.12 -0.46 0.27 0.61 -0.54 0.00 0.00 174.62 174.38 1mc3 n GLY 225 N 6.51 -1.15 3.26 3.99 0.00 -1.26 -4.82 105.19 111.73 1mc3 n GLY 225 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 1mc3 n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mc3 s THR 226 N 0.00 1.30 0.20 2.61 -4.23 -1.26 -4.07 115.64 110.18 1mc3 s THR 226 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1mc3 s THR 226 Cb 0.00 -1.79 0.12 0.00 1.34 0.00 0.00 72.50 72.16 1mc3 s THR 226 CO 0.00 -0.64 1.78 0.45 -0.54 0.00 0.00 174.62 175.67 1mc3 h HIS 227 N 2.93 0.50 -0.44 3.99 3.86 -1.95 -2.06 115.15 121.98 1mc3 h HIS 227 Ca -0.38 0.02 -0.14 0.00 -1.16 0.00 0.00 60.37 58.72 1mc3 h HIS 227 Cb 1.20 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.52 1mc3 h HIS 227 CO 0.66 0.21 -0.28 -0.44 0.86 0.00 0.00 177.93 178.95 1mc3 h ASP 228 N 0.52 0.99 0.79 2.45 3.32 -1.97 -3.02 116.42 119.50 1mc3 h ASP 228 Ca 0.27 -0.40 -0.07 0.00 0.02 0.00 0.00 57.03 56.85 1mc3 h ASP 228 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1mc3 h ASP 228 CO -0.21 1.19 -0.32 0.77 -1.72 0.00 0.00 179.24 178.95 1mc3 h SER 229 N 0.80 0.00 -0.20 6.45 4.64 -1.90 -1.86 113.55 121.49 1mc3 h SER 229 Ca 0.09 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.33 1mc3 h SER 229 Cb 0.86 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1mc3 h SER 229 CO 0.08 0.32 -0.14 0.25 -0.87 0.00 0.00 176.83 176.47 1mc3 h LEU 230 N 0.00 0.59 -0.00 5.97 5.85 -1.27 -1.23 115.31 125.21 1mc3 h LEU 230 Ca -0.00 -0.17 -0.27 0.00 0.84 0.00 0.00 57.88 58.28 1mc3 h LEU 230 Cb 0.81 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.70 1mc3 h LEU 230 CO 0.04 0.76 -1.07 0.40 -0.34 0.00 0.00 178.44 178.23 1mc3 h ILE 231 N 0.55 1.29 -0.32 4.05 2.04 -1.35 -2.61 117.51 121.16 1mc3 h ILE 231 Ca 0.10 -2.31 0.02 0.00 1.00 0.00 0.00 64.86 63.67 1mc3 h ILE 231 Cb 0.56 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 1mc3 h ILE 231 CO 0.04 0.71 0.18 -0.33 0.00 0.00 0.00 178.15 178.74 1mc3 h GLU 232 N 0.36 0.35 0.34 2.37 4.39 -1.17 -0.33 114.58 120.90 1mc3 h GLU 232 Ca -0.13 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 1mc3 h GLU 232 Cb 1.72 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1mc3 h GLU 232 CO 0.21 0.23 -0.25 0.00 -1.16 0.00 0.00 179.01 178.04 1mc3 h ALA 233 N 1.15 -0.59 -0.03 3.43 0.00 -1.27 -0.85 119.26 121.10 1mc3 h ALA 233 Ca 0.13 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1mc3 h ALA 233 Cb 0.02 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1mc3 h ALA 233 CO -0.07 -0.85 -0.28 0.77 0.00 0.00 0.00 179.25 178.82 1mc3 h SER 234 N -0.59 -0.84 -0.69 0.00 0.02 -1.26 -2.16 113.55 108.03 1mc3 h SER 234 Ca -0.03 0.12 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1mc3 h SER 234 Cb 0.51 0.35 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 1mc3 h SER 234 CO -0.00 -0.34 0.46 0.00 -1.14 0.00 0.00 176.83 175.81 1mc3 h THR 235 N -0.41 0.88 0.07 -2.27 1.03 -0.89 -0.84 112.91 110.49 1mc3 h THR 235 Ca 0.07 -0.17 -0.00 0.00 -0.01 0.00 0.00 66.41 66.30 1mc3 h THR 235 Cb 0.51 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.93 1mc3 h THR 235 CO -0.26 0.09 -0.03 0.15 -0.01 0.00 0.00 175.52 175.45 1mc3 h PHE 236 N 0.49 -0.09 -0.78 0.00 3.57 -0.57 -0.87 116.94 118.70 1mc3 h PHE 236 Ca 0.32 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 1mc3 h PHE 236 Cb 0.59 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1mc3 h PHE 236 CO -0.00 0.34 0.35 0.28 -2.23 0.00 0.00 178.31 177.05 1mc3 h VAL 237 N -0.55 1.25 -0.61 1.41 2.07 -1.07 -1.69 116.25 117.05 1mc3 h VAL 237 Ca -0.01 -0.73 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 1mc3 h VAL 237 Cb 0.47 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1mc3 h VAL 237 CO 0.02 0.31 0.14 -0.61 0.02 0.00 0.00 177.57 177.44 1mc3 h GLN 238 N 1.11 0.99 -0.12 1.57 4.15 -1.15 -1.29 115.11 120.37 1mc3 h GLN 238 Ca 0.26 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 1mc3 h GLN 238 Cb 0.15 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1mc3 h GLN 238 CO -0.03 0.90 0.04 1.15 -1.93 0.00 0.00 178.83 178.97 1mc3 h THR 239 N 0.90 1.16 0.00 2.39 2.02 -0.66 -1.86 112.91 116.85 1mc3 h THR 239 Ca 0.19 -0.48 -0.15 0.00 0.77 0.00 0.00 66.41 66.74 1mc3 h THR 239 Cb 0.37 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1mc3 h THR 239 CO 0.00 0.14 -0.70 -0.37 0.37 0.00 0.00 175.52 174.97 1mc3 h VAL 240 N 0.03 1.47 -0.36 3.16 -1.51 -1.31 0.17 116.25 117.89 1mc3 h VAL 240 Ca 0.04 -2.43 -0.08 0.00 -1.23 0.00 0.00 66.70 63.00 1mc3 h VAL 240 Cb 0.19 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1mc3 h VAL 240 CO -0.00 0.69 -0.10 -0.33 -1.23 0.00 0.00 177.57 176.59 1mc3 h GLU 241 N 0.00 0.71 0.10 5.19 5.08 -1.17 0.15 114.58 124.64 1mc3 h GLU 241 Ca -0.01 -0.28 -0.27 0.00 -1.00 0.00 0.00 59.36 57.80 1mc3 h GLU 241 Cb 1.26 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1mc3 h GLU 241 CO 0.09 0.87 -1.29 0.87 -1.00 0.00 0.00 179.01 178.55 1mc3 h LYS 242 N 0.51 0.21 0.01 2.33 1.57 -1.30 -2.33 116.57 117.57 1mc3 h LYS 242 Ca 0.09 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 1mc3 h LYS 242 Cb 0.62 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1mc3 h LYS 242 CO 0.04 1.13 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.81 1mc3 h ARG 243 N 0.06 0.08 -0.64 3.15 9.65 -0.68 -3.37 114.38 122.63 1mc3 h ARG 243 Ca -0.15 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1mc3 h ARG 243 Cb 1.95 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.56 1mc3 h ARG 243 CO 0.18 0.94 0.00 1.04 2.80 0.00 0.00 179.97 184.92 1mc3 n GLN 244 N -4.56 2.67 -1.06 0.20 6.02 0.52 -5.01 117.38 116.16 1mc3 n GLN 244 Ca -0.10 -2.57 -0.02 0.00 -0.01 0.00 0.00 57.00 54.30 1mc3 n GLN 244 Cb 0.49 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.18 1mc3 n GLN 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mc3 n GLY 245 N 1.64 0.40 3.49 1.08 0.00 -0.88 -4.99 105.19 105.93 1mc3 n GLY 245 Ca 0.23 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1mc3 n GLY 245 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1mc3 s PHE 246 N -1.59 2.17 -0.10 1.61 -0.12 -1.24 -5.04 117.98 113.66 1mc3 s PHE 246 Ca 0.00 -0.67 -0.03 0.00 -0.05 0.00 0.00 56.93 56.19 1mc3 s PHE 246 Cb 0.00 -1.31 -0.03 0.00 -0.63 0.00 0.00 43.02 41.05 1mc3 s PHE 246 CO 0.00 0.36 0.01 0.15 -0.05 0.00 0.00 175.22 175.69 1mc3 s LYS 247 N -3.71 3.18 -0.10 1.99 -0.14 -1.26 -4.25 119.74 115.45 1mc3 s LYS 247 Ca 0.32 -0.40 -0.11 0.00 -1.36 0.00 0.00 55.97 54.41 1mc3 s LYS 247 Cb 0.05 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.29 1mc3 s LYS 247 CO 0.15 0.61 0.26 0.42 -0.76 0.00 0.00 175.35 176.03 1mc3 s ILE 248 N -0.62 5.30 -1.32 2.17 1.01 -1.26 -4.38 121.20 122.09 1mc3 s ILE 248 Ca 0.10 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.19 1mc3 s ILE 248 Cb -0.12 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.80 1mc3 s ILE 248 CO 0.02 0.53 1.05 0.00 0.00 0.00 0.00 174.94 176.55 1mc3 n ALA 249 N 2.48 -1.63 -3.16 9.38 0.00 -1.26 -4.94 120.51 121.39 1mc3 n ALA 249 Ca -0.16 0.17 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 1mc3 n ALA 249 Cb 0.53 -3.98 -0.04 0.00 0.00 0.00 0.00 19.45 15.96 1mc3 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mc3 h LEU 251 N 9.50 -0.68 -1.15 0.00 3.38 -1.92 -1.61 115.31 122.83 1mc3 h LEU 251 Ca -0.18 0.07 0.15 0.00 0.09 0.00 0.00 57.88 58.01 1mc3 h LEU 251 Cb 1.07 0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.98 1mc3 h LEU 251 CO 1.04 -0.35 0.60 -0.33 0.09 0.00 0.00 178.44 179.49 1mc3 h GLU 252 N -0.50 0.77 -0.41 1.13 3.07 -1.91 0.74 114.58 117.47 1mc3 h GLU 252 Ca 0.01 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 1mc3 h GLU 252 Cb 0.48 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1mc3 h GLU 252 CO -0.09 0.51 -0.15 1.49 -1.40 0.00 0.00 179.01 179.37 1mc3 h GLU 253 N 0.80 0.76 -0.43 2.33 4.81 -1.82 0.06 114.58 121.09 1mc3 h GLU 253 Ca 0.49 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1mc3 h GLU 253 Cb 0.70 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1mc3 h GLU 253 CO -0.26 0.87 -0.01 0.82 -0.73 0.00 0.00 179.01 179.70 1mc3 h ILE 254 N 0.68 1.26 0.30 2.32 2.04 -0.02 -2.82 117.51 121.27 1mc3 h ILE 254 Ca 0.11 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 1mc3 h ILE 254 Cb 0.64 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1mc3 h ILE 254 CO 0.04 0.36 -0.15 0.00 0.00 0.00 0.00 178.15 178.41 1mc3 h ALA 255 N 0.90 -0.40 -0.42 1.87 0.00 -0.73 -2.21 119.26 118.26 1mc3 h ALA 255 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1mc3 h ALA 255 Cb 0.51 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 1mc3 h ALA 255 CO 0.03 -0.73 -0.50 2.35 0.00 0.00 0.00 179.25 180.40 1mc3 h TRP 256 N -0.40 -1.53 0.00 0.00 7.01 -0.92 0.32 115.95 120.43 1mc3 h TRP 256 Ca -0.04 0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1mc3 h TRP 256 Cb 0.31 0.72 -0.00 0.00 -2.10 0.00 0.00 29.16 28.10 1mc3 h TRP 256 CO -0.06 -0.42 -0.01 0.00 -2.79 0.00 0.00 178.44 175.16 1mc3 h ARG 257 N -0.31 0.00 -0.02 2.65 3.08 -1.48 0.70 114.38 118.99 1mc3 h ARG 257 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1mc3 h ARG 257 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1mc3 h ARG 257 CO -0.56 0.01 0.00 0.09 -1.07 0.00 0.00 179.97 178.44 1mc3 n ASN 258 N -4.32 0.17 -0.73 7.04 4.13 -0.06 -4.85 115.26 116.63 1mc3 n ASN 258 Ca -0.03 -1.46 -0.10 0.00 1.68 0.00 0.00 54.58 54.67 1mc3 n ASN 258 Cb 0.10 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.28 1mc3 n ASN 258 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mc3 n GLY 259 N 0.82 1.04 0.12 7.41 0.00 0.24 -4.86 105.19 109.96 1mc3 n GLY 259 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1mc3 n GLY 259 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1mc3 h TRP 260 N 0.00 0.00 -3.09 1.61 6.55 -1.26 -3.45 115.95 116.30 1mc3 h TRP 260 Ca -0.19 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.48 1mc3 h TRP 260 Cb 0.85 0.00 -0.27 0.00 -0.86 0.00 0.00 29.16 28.88 1mc3 h TRP 260 CO 0.41 0.63 -0.43 -0.48 -1.05 0.00 0.00 178.44 177.52 1mc3 s LEU 261 N -6.64 0.86 0.70 -4.49 0.05 -1.23 -4.62 118.68 103.31 1mc3 s LEU 261 Ca 0.03 0.52 -0.11 0.00 0.05 0.00 0.00 54.13 54.61 1mc3 s LEU 261 Cb 0.09 0.84 0.01 0.00 -2.05 0.00 0.00 46.19 45.08 1mc3 s LEU 261 CO 0.76 -0.11 1.07 1.51 -0.55 0.00 0.00 176.35 179.03 1mc3 s ASP 262 N 0.43 5.25 0.43 1.48 -4.77 -1.26 -4.15 116.67 114.08 1mc3 s ASP 262 Ca -0.02 1.69 0.24 0.00 -3.30 0.00 0.00 52.55 51.15 1mc3 s ASP 262 Cb -0.04 -2.51 1.24 0.00 -1.09 0.00 0.00 42.92 40.52 1mc3 s ASP 262 CO -0.02 -1.53 1.75 0.44 0.70 0.00 0.00 175.17 176.51 1mc3 h ASP 263 N -0.66 0.33 -0.70 2.11 5.19 -1.99 1.16 116.42 121.86 1mc3 h ASP 263 Ca -0.44 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1mc3 h ASP 263 Cb 1.22 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 1mc3 h ASP 263 CO 0.56 0.03 0.43 -0.08 -3.12 0.00 0.00 179.24 177.06 1mc3 h GLU 264 N 0.27 0.95 -0.35 3.56 4.22 -1.99 -0.51 114.58 120.73 1mc3 h GLU 264 Ca 0.63 -0.08 -0.02 0.00 0.08 0.00 0.00 59.36 59.96 1mc3 h GLU 264 Cb 1.81 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.85 1mc3 h GLU 264 CO -0.26 0.67 0.14 0.78 -2.18 0.00 0.00 179.01 178.15 1mc3 h GLY 265 N 0.96 0.56 1.50 1.92 0.00 0.10 -2.41 103.07 105.70 1mc3 h GLY 265 Ca 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1mc3 h GLY 265 CO -0.05 0.29 0.17 -2.08 0.00 0.00 0.00 176.54 174.87 1mc3 h VAL 266 N 0.41 1.18 -0.29 4.60 2.07 -1.09 -2.70 116.25 120.43 1mc3 h VAL 266 Ca 0.12 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.95 1mc3 h VAL 266 Cb 0.19 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1mc3 h VAL 266 CO -0.01 0.22 -0.35 0.50 0.02 0.00 0.00 177.57 177.95 1mc3 h LYS 267 N 0.64 0.66 -0.40 1.57 3.64 -0.79 -0.78 116.57 121.11 1mc3 h LYS 267 Ca 0.16 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.16 1mc3 h LYS 267 Cb 0.15 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1mc3 h LYS 267 CO -0.01 0.91 0.01 0.00 -2.27 0.00 0.00 179.45 178.09 1mc3 h ARG 268 N 0.55 0.64 0.46 1.90 3.08 -1.13 -1.75 114.38 118.13 1mc3 h ARG 268 Ca 0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1mc3 h ARG 268 Cb 0.86 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1mc3 h ARG 268 CO 0.07 0.65 -0.22 0.00 -1.07 0.00 0.00 179.97 179.40 1mc3 h ALA 269 N 1.41 -0.66 -0.87 0.04 0.00 -1.31 -2.90 119.26 114.97 1mc3 h ALA 269 Ca 0.13 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.15 1mc3 h ALA 269 Cb 0.37 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1mc3 h ALA 269 CO 0.01 -0.61 0.64 0.00 0.00 0.00 0.00 179.25 179.29 1mc3 h ALA 270 N -1.25 2.81 0.27 0.00 0.00 -1.12 -0.88 119.26 119.10 1mc3 h ALA 270 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mc3 h ALA 270 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mc3 h ALA 270 CO 0.10 -1.09 -0.13 1.03 0.00 0.00 0.00 179.25 179.17 1mc3 h SER 271 N 0.00 -0.30 0.01 0.00 0.87 -1.31 0.17 113.55 112.99 1mc3 h SER 271 Ca 0.41 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1mc3 h SER 271 Cb 1.69 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1mc3 h SER 271 CO -0.00 0.08 0.00 -1.54 -0.53 0.00 0.00 176.83 174.84 1mc3 n SER 272 N -5.09 0.00 0.00 6.23 3.41 -0.38 -1.16 113.62 116.63 1mc3 n SER 272 Ca -0.09 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1mc3 n SER 272 Cb 0.26 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1mc3 n SER 272 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1mc3 n LEU 273 N -1.02 0.88 -0.46 1.04 4.77 -0.93 -4.86 117.00 116.43 1mc3 n LEU 273 Ca 0.09 -0.88 0.39 0.00 -0.03 0.00 0.00 56.01 55.59 1mc3 n LEU 273 Cb 0.05 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.81 1mc3 n LEU 273 CO 0.07 0.22 1.21 0.00 -1.33 0.00 0.00 177.39 177.57 1mc3 h ALA 274 N 0.00 2.76 0.00 -1.18 0.00 0.87 1.08 119.26 122.80 1mc3 h ALA 274 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mc3 h ALA 274 Cb 0.25 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1mc3 h ALA 274 CO 0.00 -1.47 0.00 1.17 0.00 0.00 0.00 179.25 178.95 1mc3 n LYS 275 N -4.79 0.79 -4.33 0.00 4.81 -1.26 -4.52 118.16 108.86 1mc3 n LYS 275 Ca 0.40 0.01 -0.30 0.00 -0.87 0.00 0.00 58.31 57.55 1mc3 n LYS 275 Cb 1.54 -1.50 -0.11 0.00 0.02 0.00 0.00 35.03 34.98 1mc3 n LYS 275 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1mc3 s THR 276 N -2.07 3.14 0.53 3.15 2.01 0.37 -5.02 115.64 117.76 1mc3 s THR 276 Ca 0.39 -1.30 0.26 0.00 0.31 0.00 0.00 61.69 61.35 1mc3 s THR 276 Cb 0.19 -2.43 0.31 0.00 0.01 0.00 0.00 72.50 70.57 1mc3 s THR 276 CO 0.32 0.16 2.18 1.23 -0.69 0.00 0.00 174.62 177.82 1mc3 h GLY 277 N 3.84 0.00 1.31 4.40 0.00 -1.88 0.88 103.07 111.62 1mc3 h GLY 277 Ca -0.49 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1mc3 h GLY 277 CO 0.50 0.00 -0.25 -1.82 0.00 0.00 0.00 176.54 174.96 1mc3 h TYR 278 N 0.00 0.90 -0.28 5.60 3.20 -1.95 -2.66 116.97 121.78 1mc3 h TYR 278 Ca -0.00 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1mc3 h TYR 278 Cb 0.10 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1mc3 h TYR 278 CO 0.00 0.96 -0.17 0.78 -1.64 0.00 0.00 178.16 178.08 1mc3 h GLY 279 N 0.95 0.67 1.45 1.82 0.00 -0.86 -2.84 103.07 104.26 1mc3 h GLY 279 Ca 0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1mc3 h GLY 279 CO 0.06 0.57 -0.15 1.46 0.00 0.00 0.00 176.54 178.49 1mc3 h GLN 280 N 0.36 0.65 -0.69 4.80 4.20 -1.45 -1.00 115.11 121.99 1mc3 h GLN 280 Ca 0.06 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.60 1mc3 h GLN 280 Cb 0.70 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1mc3 h GLN 280 CO 0.05 0.77 0.46 -0.92 -0.67 0.00 0.00 178.83 178.52 1mc3 h TYR 281 N 0.59 0.75 -0.20 2.96 3.20 -1.43 0.60 116.97 123.44 1mc3 h TYR 281 Ca 0.10 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 1mc3 h TYR 281 Cb 0.59 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.62 1mc3 h TYR 281 CO 0.03 0.42 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.19 1mc3 h LEU 282 N 0.76 0.97 -0.45 2.82 3.38 -1.03 -2.87 115.31 118.89 1mc3 h LEU 282 Ca 0.29 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1mc3 h LEU 282 Cb 0.18 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1mc3 h LEU 282 CO -0.09 1.40 0.19 -0.07 0.09 0.00 0.00 178.44 179.96 1mc3 h LEU 283 N 0.59 0.61 -1.82 1.67 3.38 -0.36 -2.67 115.31 116.72 1mc3 h LEU 283 Ca -0.03 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1mc3 h LEU 283 Cb 1.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1mc3 h LEU 283 CO 0.15 0.60 0.19 -0.33 0.09 0.00 0.00 178.44 179.14 1mc3 h GLU 284 N 0.58 0.23 0.00 1.13 5.08 -0.91 0.49 114.58 121.18 1mc3 h GLU 284 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1mc3 h GLU 284 Cb 0.17 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1mc3 h GLU 284 CO -0.01 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.43 1mc3 n LEU 285 N -4.49 0.53 -1.89 1.33 4.77 -1.01 -3.42 117.00 112.82 1mc3 n LEU 285 Ca 0.02 0.60 -0.12 0.00 -0.03 0.00 0.00 56.01 56.48 1mc3 n LEU 285 Cb 0.19 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1mc3 n LEU 285 CO 0.35 -0.38 1.28 0.18 -1.33 0.00 0.00 177.39 177.49 1mc3 n LEU 286 N -2.05 5.90 0.00 2.23 4.77 0.16 -4.83 117.00 123.18 1mc3 n LEU 286 Ca 0.04 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.89 1mc3 n LEU 286 Cb 0.27 -1.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1mc3 n LEU 286 CO 0.22 1.33 0.00 -2.11 -1.33 0.00 0.00 177.39 175.49 1mc3 n ARG 287 N 1.19 0.00 -3.72 3.23 0.00 -1.22 -5.08 116.66 111.05 1mc3 n ARG 287 Ca 0.26 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 58.08 1mc3 n ARG 287 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 32.46 33.06 1mc3 n ARG 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1mc3 s ALA 288 N -1.00 -1.78 0.35 2.89 0.00 -1.26 -5.13 121.76 115.83 1mc3 s ALA 288 Ca 0.00 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.32 1mc3 s ALA 288 Cb 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 23.12 23.63 1mc3 s ALA 288 CO 0.00 -1.03 -0.08 1.03 0.00 0.00 0.00 175.76 175.68 1mc3 s ARG 289 N -3.10 1.81 0.00 0.00 0.52 -1.26 -5.20 118.95 111.72 1mc3 s ARG 289 Ca 0.12 -1.94 0.14 0.00 -0.52 0.00 0.00 55.73 53.53 1mc3 s ARG 289 Cb -0.00 -1.65 0.86 0.00 0.52 0.00 0.00 34.95 34.68 1mc3 s ARG 289 CO 0.01 0.11 1.28 -2.30 0.02 0.00 0.00 175.30 174.42