#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mnu n TRP 5 N 0.00 0.97 -0.81 4.41 4.27 -1.26 -4.89 117.44 120.13 3mnu n TRP 5 Ca 0.00 0.39 0.00 0.00 -3.89 0.00 0.00 57.50 54.00 3mnu n TRP 5 Cb 0.00 -2.08 0.00 0.00 -1.36 0.00 0.00 31.31 27.87 3mnu n TRP 5 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3mnu n GLY 6 N 0.75 2.92 0.06 -1.67 0.00 0.04 -5.02 105.19 102.26 3mnu n GLY 6 Ca 0.13 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 45.86 3mnu n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mnu n TYR 7 N 0.00 0.00 -2.02 1.61 4.02 -1.26 -3.97 117.16 115.54 3mnu n TYR 7 Ca 0.00 -0.36 -0.29 0.00 -0.01 0.00 0.00 57.90 57.24 3mnu n TYR 7 Cb 0.00 -0.05 0.19 0.00 -0.02 0.00 0.00 39.34 39.46 3mnu n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3mnu s GLY 8 N -0.92 1.80 0.37 2.72 0.00 -1.26 -4.63 107.32 105.40 3mnu s GLY 8 Ca 0.04 -1.34 0.06 0.00 0.00 0.00 0.00 44.72 43.49 3mnu s GLY 8 CO 0.00 -0.56 1.94 1.70 0.00 0.00 0.00 173.10 176.19 3mnu h LYS 9 N -1.58 0.46 -0.00 2.90 3.64 -1.98 0.18 116.57 120.19 3mnu h LYS 9 Ca -0.43 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3mnu h LYS 9 Cb 1.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3mnu h LYS 9 CO 0.35 0.45 -0.94 0.72 -2.27 0.00 0.00 179.45 177.76 3mnu n HIS 10 N -4.34 0.00 -1.01 1.91 8.25 -1.26 -4.47 115.22 114.29 3mnu n HIS 10 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3mnu n HIS 10 Cb 0.19 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.30 3mnu n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mnu n ASN 11 N -1.37 0.44 -3.31 0.41 6.94 -1.19 -4.96 115.26 112.22 3mnu n ASN 11 Ca 0.05 -1.44 -0.22 0.00 -0.02 0.00 0.00 54.58 52.95 3mnu n ASN 11 Cb 0.34 -0.05 0.17 0.00 -2.36 0.00 0.00 39.78 37.88 3mnu n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mnu n GLY 12 N -0.15 -2.29 0.42 4.83 0.00 0.61 -0.78 105.19 107.82 3mnu n GLY 12 Ca 0.01 -1.55 0.35 0.00 0.00 0.00 0.00 46.02 44.82 3mnu n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mnu h PRO 13 N 0.00 0.08 0.00 1.61 0.11 -1.84 0.25 132.00 132.21 3mnu h PRO 13 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3mnu h PRO 13 Cb 0.90 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3mnu h PRO 13 CO 0.20 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.44 3mnu n GLU 14 N -4.88 0.26 -0.02 1.05 -0.58 -1.26 -3.05 120.64 112.17 3mnu n GLU 14 Ca 0.37 0.08 0.06 0.00 -0.42 0.00 0.00 57.16 57.25 3mnu n GLU 14 Cb 1.36 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 30.60 3mnu n GLU 14 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3mnu n HIS 15 N -1.33 0.00 -0.31 -0.32 8.25 0.87 -4.66 115.22 117.73 3mnu n HIS 15 Ca 0.10 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.71 3mnu n HIS 15 Cb 0.19 -0.45 0.40 0.00 1.12 0.00 0.00 29.99 31.25 3mnu n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mnu h TRP 16 N 0.00 0.86 -0.32 4.41 6.55 -1.45 -2.46 115.95 123.53 3mnu h TRP 16 Ca -0.08 0.03 0.09 0.00 0.95 0.00 0.00 58.89 59.89 3mnu h TRP 16 Cb 0.98 -0.26 -0.01 0.00 -0.86 0.00 0.00 29.16 29.01 3mnu h TRP 16 CO 0.00 0.21 0.31 1.12 -1.05 0.00 0.00 178.44 179.03 3mnu h HIS 17 N 0.63 0.00 -0.55 0.49 2.07 -1.79 0.12 115.15 116.12 3mnu h HIS 17 Ca 0.53 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.99 3mnu h HIS 17 Cb 1.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.96 3mnu h HIS 17 CO -0.00 0.00 0.10 0.87 -3.07 0.00 0.00 177.93 175.83 3mnu h LYS 18 N 0.00 0.91 0.00 5.12 1.57 -1.79 -2.19 116.57 120.19 3mnu h LYS 18 Ca 0.15 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3mnu h LYS 18 Cb 0.77 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.98 3mnu h LYS 18 CO -0.00 0.87 -1.44 -0.25 -0.57 0.00 0.00 179.45 178.06 3mnu n ASP 19 N -4.36 0.43 -3.53 0.86 8.00 -0.88 -4.63 116.55 112.44 3mnu n ASP 19 Ca 0.02 -0.13 -0.27 0.00 0.71 0.00 0.00 54.79 55.12 3mnu n ASP 19 Cb 0.26 1.29 -0.10 0.00 -0.02 0.00 0.00 41.12 42.55 3mnu n ASP 19 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mnu n PHE 20 N -2.15 0.29 -0.26 1.24 3.72 0.37 -4.99 117.46 115.68 3mnu n PHE 20 Ca -0.01 -3.60 0.31 0.00 -0.05 0.00 0.00 57.45 54.10 3mnu n PHE 20 Cb 0.50 -0.01 0.71 0.00 -0.94 0.00 0.00 39.48 39.74 3mnu n PHE 20 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3mnu h PRO 21 N 5.50 0.05 0.00 -1.08 0.11 -1.63 -0.10 132.00 134.85 3mnu h PRO 21 Ca 0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3mnu h PRO 21 Cb 0.86 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3mnu h PRO 21 CO 0.48 0.03 0.00 1.51 -0.21 0.00 0.00 178.00 179.81 3mnu n ILE 22 N -4.27 1.36 0.29 4.15 0.13 -1.26 -2.31 119.36 117.44 3mnu n ILE 22 Ca 0.22 0.34 0.17 0.00 -1.10 0.00 0.00 62.75 62.38 3mnu n ILE 22 Cb 1.08 -1.25 0.95 0.00 -0.84 0.00 0.00 39.64 39.58 3mnu n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3mnu h ALA 23 N 2.21 1.48 -0.46 1.51 0.00 -1.33 0.26 119.26 122.94 3mnu h ALA 23 Ca 0.00 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3mnu h ALA 23 Cb 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 3mnu h ALA 23 CO 0.00 -0.08 0.08 1.63 0.00 0.00 0.00 179.25 180.88 3mnu n LYS 24 N -3.65 2.44 -0.26 0.00 5.02 -0.98 -4.96 118.16 115.77 3mnu n LYS 24 Ca -0.02 -3.06 -0.07 0.00 -2.02 0.00 0.00 58.31 53.14 3mnu n LYS 24 Cb 0.15 -1.92 0.06 0.00 -0.02 0.00 0.00 35.03 33.30 3mnu n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mnu n GLY 25 N -0.83 -2.51 0.03 0.72 0.00 0.92 -4.99 105.19 98.52 3mnu n GLY 25 Ca 0.34 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 45.02 3mnu n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mnu n GLU 26 N -2.32 0.15 -3.00 1.61 -0.58 -1.26 -4.43 120.64 110.81 3mnu n GLU 26 Ca 0.04 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 3mnu n GLU 26 Cb 0.14 -1.59 -0.00 0.00 -0.57 0.00 0.00 31.44 29.43 3mnu n GLU 26 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3mnu n ARG 27 N -1.79 1.03 -3.01 3.49 1.85 -1.26 -4.66 116.66 112.31 3mnu n ARG 27 Ca 0.04 -3.26 -0.31 0.00 -1.00 0.00 0.00 57.85 53.32 3mnu n ARG 27 Cb 0.39 -1.51 -0.05 0.00 -1.05 0.00 0.00 32.46 30.24 3mnu n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mnu s GLN 28 N -2.51 3.88 0.20 2.89 -1.52 -1.26 -2.75 119.66 118.60 3mnu s GLN 28 Ca 0.35 0.56 0.08 0.00 -1.95 0.00 0.00 55.36 54.40 3mnu s GLN 28 Cb 0.38 -2.42 -0.05 0.00 -0.22 0.00 0.00 33.01 30.71 3mnu s GLN 28 CO -0.04 0.07 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.78 3mnu s SER 29 N -2.71 2.71 0.96 5.90 0.01 -1.26 -4.66 113.70 114.64 3mnu s SER 29 Ca 0.52 -0.97 -0.10 0.00 1.31 0.00 0.00 55.95 56.71 3mnu s SER 29 Cb -0.10 -0.16 0.15 0.00 0.21 0.00 0.00 66.02 66.12 3mnu s SER 29 CO 0.24 -0.11 0.92 -0.81 0.41 0.00 0.00 173.24 173.89 3mnu n PRO 30 N -0.20 -0.81 -4.06 12.44 -0.04 -1.26 -4.49 135.00 136.58 3mnu n PRO 30 Ca -0.09 -1.51 -0.08 0.00 -0.04 0.00 0.00 63.50 61.77 3mnu n PRO 30 Cb 0.59 -0.91 -0.09 0.00 -0.04 0.00 0.00 33.50 33.05 3mnu n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mnu s VAL 31 N -2.96 0.15 0.15 0.52 -7.23 -1.26 -0.10 120.40 109.68 3mnu s VAL 31 Ca 0.53 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.73 3mnu s VAL 31 Cb -0.02 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.16 3mnu s VAL 31 CO 0.37 -0.70 0.84 -0.62 -0.31 0.00 0.00 175.10 174.67 3mnu s ASP 32 N -2.96 7.43 -0.49 4.85 3.68 -1.26 -3.15 116.67 124.77 3mnu s ASP 32 Ca 0.13 1.70 -0.14 0.00 2.13 0.00 0.00 52.55 56.37 3mnu s ASP 32 Cb 0.07 -2.53 0.10 0.00 -1.45 0.00 0.00 42.92 39.11 3mnu s ASP 32 CO -0.05 0.12 0.42 -0.63 0.13 0.00 0.00 175.17 175.16 3mnu s ILE 33 N -0.79 4.99 -0.72 4.11 1.01 0.18 -4.92 121.20 125.06 3mnu s ILE 33 Ca 0.39 -1.37 -0.26 0.00 0.00 0.00 0.00 60.65 59.41 3mnu s ILE 33 Cb -0.23 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.16 3mnu s ILE 33 CO 0.27 -0.72 1.20 -0.62 0.00 0.00 0.00 174.94 175.08 3mnu s ASP 34 N 2.98 6.16 0.55 3.58 3.68 -1.26 -0.85 116.67 131.50 3mnu s ASP 34 Ca 0.04 -0.59 0.23 0.00 2.13 0.00 0.00 52.55 54.36 3mnu s ASP 34 Cb -0.27 -2.52 1.44 0.00 -1.45 0.00 0.00 42.92 40.12 3mnu s ASP 34 CO 0.04 -1.74 2.10 0.71 0.13 0.00 0.00 175.17 176.40 3mnu h THR 35 N 6.02 0.75 0.00 1.71 1.35 -1.94 -1.05 112.91 119.75 3mnu h THR 35 Ca -0.28 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.46 3mnu h THR 35 Cb 1.06 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.33 3mnu h THR 35 CO 1.26 0.00 -0.65 0.45 -0.25 0.00 0.00 175.52 176.33 3mnu h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.02 -3.28 115.15 118.44 3mnu h HIS 36 Ca 0.10 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3mnu h HIS 36 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 3mnu h HIS 36 CO 0.00 0.51 -1.12 1.15 0.86 0.00 0.00 177.93 179.33 3mnu h THR 37 N 0.00 0.26 -3.47 2.45 2.02 -1.74 -3.46 112.91 108.97 3mnu h THR 37 Ca -0.03 -1.49 -0.53 0.00 0.77 0.00 0.00 66.41 65.13 3mnu h THR 37 Cb 1.41 1.80 0.06 0.00 -1.74 0.00 0.00 68.15 69.68 3mnu h THR 37 CO 0.06 0.15 0.74 0.00 0.37 0.00 0.00 175.52 176.84 3mnu s ALA 38 N -3.15 3.61 -0.10 6.16 0.00 -0.48 -4.85 121.76 122.95 3mnu s ALA 38 Ca -0.01 1.32 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 3mnu s ALA 38 Cb 0.09 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3mnu s ALA 38 CO 0.79 -0.74 -0.08 0.21 0.00 0.00 0.00 175.76 175.95 3mnu s LYS 39 N -0.62 3.13 0.27 0.00 2.20 -0.95 -4.82 119.74 118.95 3mnu s LYS 39 Ca 0.58 -0.58 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 3mnu s LYS 39 Cb -0.42 -2.67 -0.11 0.00 -1.51 0.00 0.00 37.83 33.12 3mnu s LYS 39 CO 0.45 0.44 1.61 -0.47 -0.36 0.00 0.00 175.35 177.02 3mnu s TYR 40 N -0.22 2.82 -0.26 4.03 6.04 -1.26 -0.60 117.35 127.89 3mnu s TYR 40 Ca 0.02 0.70 0.01 0.00 0.04 0.00 0.00 57.07 57.84 3mnu s TYR 40 Cb -0.13 -4.06 0.05 0.00 -1.04 0.00 0.00 41.96 36.78 3mnu s TYR 40 CO 0.03 -3.68 -0.08 0.34 -1.54 0.00 0.00 175.55 170.62 3mnu s ASP 41 N 0.66 4.44 0.13 4.32 3.68 -0.01 -4.81 116.67 125.09 3mnu s ASP 41 Ca 0.66 -1.23 0.23 0.00 2.13 0.00 0.00 52.55 54.34 3mnu s ASP 41 Cb -0.48 -1.60 0.91 0.00 -1.45 0.00 0.00 42.92 40.30 3mnu s ASP 41 CO 0.43 -0.18 1.72 -0.81 0.13 0.00 0.00 175.17 176.46 3mnu n PRO 42 N 4.53 0.13 0.00 4.34 -0.04 -1.26 -2.81 135.00 139.88 3mnu n PRO 42 Ca -0.15 0.23 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 3mnu n PRO 42 Cb 0.44 -1.69 0.58 0.00 -0.04 0.00 0.00 33.50 32.79 3mnu n PRO 42 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3mnu n SER 43 N -1.91 0.00 -4.72 3.54 3.41 -1.26 -4.77 113.62 107.90 3mnu n SER 43 Ca 0.04 0.20 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 3mnu n SER 43 Cb 0.30 -0.39 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 3mnu n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mnu s LEU 44 N -2.77 4.42 0.49 1.04 1.43 -1.12 -4.98 118.68 117.19 3mnu s LEU 44 Ca 0.18 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 3mnu s LEU 44 Cb 0.16 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 3mnu s LEU 44 CO 0.41 -0.16 0.77 -0.54 0.23 0.00 0.00 176.35 177.06 3mnu s LYS 45 N 0.54 3.27 0.34 1.70 1.02 -1.09 -4.89 119.74 120.62 3mnu s LYS 45 Ca 0.48 -0.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.16 3mnu s LYS 45 Cb -0.22 -2.41 -0.12 0.00 -0.52 0.00 0.00 37.83 34.56 3mnu s LYS 45 CO 0.28 -0.33 1.19 -2.30 -0.92 0.00 0.00 175.35 173.27 3mnu n PRO 46 N -2.27 1.84 -2.79 -1.68 -0.02 -1.26 -0.52 135.00 128.30 3mnu n PRO 46 Ca 0.01 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 3mnu n PRO 46 Cb 0.56 -2.18 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3mnu n PRO 46 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3mnu s LEU 47 N -0.63 4.54 -0.21 2.45 2.96 -1.26 -1.77 118.68 124.75 3mnu s LEU 47 Ca 0.57 1.78 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3mnu s LEU 47 Cb -0.60 -3.53 0.04 0.00 0.50 0.00 0.00 46.19 42.61 3mnu s LEU 47 CO 0.61 0.02 -0.11 -0.55 -1.32 0.00 0.00 176.35 175.00 3mnu s SER 48 N -0.39 3.66 -0.35 3.68 0.15 0.58 -4.90 113.70 116.13 3mnu s SER 48 Ca 0.44 -1.00 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 3mnu s SER 48 Cb -0.24 -1.34 0.07 0.00 -1.71 0.00 0.00 66.02 62.80 3mnu s SER 48 CO 0.29 -0.14 0.11 -0.69 1.20 0.00 0.00 173.24 174.01 3mnu s VAL 49 N 1.31 3.39 -0.57 4.45 1.01 -1.26 -1.62 120.40 127.11 3mnu s VAL 49 Ca -0.03 -1.53 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 3mnu s VAL 49 Cb -0.17 -3.07 0.15 0.00 0.00 0.00 0.00 36.38 33.29 3mnu s VAL 49 CO -0.08 -0.34 0.36 -0.44 0.00 0.00 0.00 175.10 174.60 3mnu s SER 50 N 1.55 5.04 -0.02 3.32 0.01 -0.33 -4.90 113.70 118.38 3mnu s SER 50 Ca 0.01 -2.76 0.15 0.00 1.31 0.00 0.00 55.95 54.65 3mnu s SER 50 Cb -0.21 -1.80 0.45 0.00 0.21 0.00 0.00 66.02 64.67 3mnu s SER 50 CO -0.01 -0.36 1.37 -1.22 0.41 0.00 0.00 173.24 173.43 3mnu n TYR 51 N 3.57 0.71 -0.23 2.43 0.53 -1.26 -1.30 117.16 121.61 3mnu n TYR 51 Ca 0.06 -0.53 0.10 0.00 -1.02 0.00 0.00 57.90 56.51 3mnu n TYR 51 Cb 0.37 -0.05 0.37 0.00 -1.03 0.00 0.00 39.34 39.00 3mnu n TYR 51 CO 0.00 0.00 0.00 0.38 -1.02 0.00 0.00 176.86 176.22 3mnu h ASP 52 N 2.79 0.65 -0.69 7.72 2.03 -1.98 -2.26 116.42 124.69 3mnu h ASP 52 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 3mnu h ASP 52 Cb 0.90 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 3mnu h ASP 52 CO 0.03 0.37 0.00 0.00 -1.03 0.00 0.00 179.24 178.61 3mnu n GLN 53 N -4.52 3.23 -1.70 4.15 1.13 -1.26 -5.00 117.38 113.41 3mnu n GLN 53 Ca 0.15 -2.77 -0.44 0.00 -1.94 0.00 0.00 57.00 52.00 3mnu n GLN 53 Cb 0.38 -1.73 -0.03 0.00 0.11 0.00 0.00 30.24 28.98 3mnu n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mnu n ALA 54 N 1.37 1.68 -3.94 -1.58 0.00 -0.85 -4.58 120.51 112.60 3mnu n ALA 54 Ca 0.25 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.79 3mnu n ALA 54 Cb 0.75 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.70 3mnu n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mnu s THR 55 N 0.14 1.83 0.56 0.00 2.01 -1.26 -4.88 115.64 114.04 3mnu s THR 55 Ca 0.69 -1.91 -0.16 0.00 0.31 0.00 0.00 61.69 60.62 3mnu s THR 55 Cb -0.60 -2.29 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 3mnu s THR 55 CO 0.47 -0.50 1.03 -0.94 -0.69 0.00 0.00 174.62 173.98 3mnu s SER 56 N 1.16 6.16 -0.04 3.53 1.04 -1.26 -0.72 113.70 123.57 3mnu s SER 56 Ca 0.07 1.71 -0.02 0.00 0.48 0.00 0.00 55.95 58.19 3mnu s SER 56 Cb -0.19 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.39 3mnu s SER 56 CO -0.12 -0.90 -0.05 0.18 0.98 0.00 0.00 173.24 173.33 3mnu n LEU 57 N -1.83 0.57 -3.81 2.42 4.77 0.84 -4.10 117.00 115.87 3mnu n LEU 57 Ca 0.08 0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3mnu n LEU 57 Cb 0.53 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3mnu n LEU 57 CO 0.47 0.13 0.70 0.00 -1.33 0.00 0.00 177.39 177.36 3mnu s ARG 58 N -2.07 1.40 -0.03 3.23 1.70 -1.22 -1.57 118.95 120.39 3mnu s ARG 58 Ca -0.05 -0.83 0.06 0.00 -0.47 0.00 0.00 55.73 54.44 3mnu s ARG 58 Cb 0.02 0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 34.83 3mnu s ARG 58 CO 0.07 -0.65 -0.23 -1.50 -1.08 0.00 0.00 175.30 171.91 3mnu s ILE 59 N -2.93 1.80 -0.01 4.99 2.07 -0.03 -0.70 121.20 126.39 3mnu s ILE 59 Ca 0.15 -0.96 0.02 0.00 -1.41 0.00 0.00 60.65 58.45 3mnu s ILE 59 Cb -0.03 -1.51 0.00 0.00 0.13 0.00 0.00 42.46 41.06 3mnu s ILE 59 CO 0.05 0.51 -0.05 -0.22 -1.91 0.00 0.00 174.94 173.31 3mnu s LEU 60 N -0.38 1.85 -0.41 8.50 2.96 0.19 -0.96 118.68 130.42 3mnu s LEU 60 Ca 0.04 -0.10 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 3mnu s LEU 60 Cb -0.10 -0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.29 3mnu s LEU 60 CO 0.00 0.04 0.46 0.21 -1.32 0.00 0.00 176.35 175.74 3mnu s ASN 61 N 0.11 6.21 -0.06 3.68 3.84 -0.32 -0.02 114.94 128.38 3mnu s ASN 61 Ca -0.01 -0.58 0.18 0.00 0.21 0.00 0.00 52.86 52.66 3mnu s ASN 61 Cb -0.05 -2.23 0.61 0.00 -0.55 0.00 0.00 41.25 39.03 3mnu s ASN 61 CO -0.00 -0.58 1.51 -0.46 -2.79 0.00 0.00 177.10 174.77 3mnu n ASN 62 N 5.67 3.94 0.00 -4.21 0.23 -0.75 -0.38 115.26 119.76 3mnu n ASN 62 Ca -0.07 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 3mnu n ASN 62 Cb 0.48 -0.50 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 3mnu n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mnu n GLY 63 N 1.25 1.28 0.00 4.83 0.00 -1.26 -4.75 105.19 106.54 3mnu n GLY 63 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3mnu n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mnu n HIS 64 N -2.00 0.00 -3.40 1.61 8.25 -1.26 -4.72 115.22 113.70 3mnu n HIS 64 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3mnu n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3mnu n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mnu n ALA 65 N -1.98 -0.21 -2.80 -1.41 0.00 -1.26 -4.86 120.51 107.99 3mnu n ALA 65 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 3mnu n ALA 65 Cb 0.36 0.05 -0.17 0.00 0.00 0.00 0.00 19.45 19.70 3mnu n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mnu s PHE 66 N -6.13 2.44 -0.16 0.00 -0.12 -1.26 -1.80 117.98 110.95 3mnu s PHE 66 Ca 0.02 -0.76 -0.04 0.00 -0.05 0.00 0.00 56.93 56.10 3mnu s PHE 66 Cb -0.00 -1.61 -0.03 0.00 -0.63 0.00 0.00 43.02 40.75 3mnu s PHE 66 CO 0.01 -0.24 -0.03 -0.80 -0.05 0.00 0.00 175.22 174.10 3mnu s ASN 67 N -0.10 4.84 -0.38 1.98 0.02 0.97 -4.30 114.94 117.97 3mnu s ASN 67 Ca -0.06 -0.13 -0.15 0.00 -1.02 0.00 0.00 52.86 51.51 3mnu s ASN 67 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 41.25 39.33 3mnu s ASN 67 CO 0.04 0.16 0.35 -0.69 0.02 0.00 0.00 177.10 176.98 3mnu s VAL 68 N 0.42 5.18 0.11 1.60 1.01 -0.45 -0.64 120.40 127.63 3mnu s VAL 68 Ca -0.03 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3mnu s VAL 68 Cb -0.14 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 3mnu s VAL 68 CO 0.03 -0.22 0.39 -1.61 0.00 0.00 0.00 175.10 173.68 3mnu s GLU 69 N 1.93 3.68 0.26 2.72 2.02 0.12 -1.74 118.70 127.70 3mnu s GLU 69 Ca 0.10 0.04 0.11 0.00 0.02 0.00 0.00 54.97 55.23 3mnu s GLU 69 Cb -0.17 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3mnu s GLU 69 CO 0.12 0.51 -0.19 -0.06 0.02 0.00 0.00 175.26 175.66 3mnu s PHE 70 N -1.53 2.18 -0.46 1.61 0.40 -0.54 -0.11 117.98 119.52 3mnu s PHE 70 Ca 0.37 -0.38 -0.26 0.00 -0.60 0.00 0.00 56.93 56.06 3mnu s PHE 70 Cb -0.13 -0.96 0.03 0.00 0.51 0.00 0.00 43.02 42.47 3mnu s PHE 70 CO 0.21 0.64 0.96 0.34 0.70 0.00 0.00 175.22 178.07 3mnu s ASP 71 N -3.42 6.53 -0.26 1.36 -1.08 0.10 -4.84 116.67 115.06 3mnu s ASP 71 Ca 0.28 0.21 0.11 0.00 -0.52 0.00 0.00 52.55 52.63 3mnu s ASP 71 Cb -0.04 -2.47 0.53 0.00 -1.46 0.00 0.00 42.92 39.48 3mnu s ASP 71 CO 0.13 -1.07 1.48 -0.90 0.52 0.00 0.00 175.17 175.33 3mnu n ASP 72 N 7.25 3.07 -0.00 -0.34 3.85 -1.26 -4.56 116.55 124.56 3mnu n ASP 72 Ca 0.07 -3.49 0.14 0.00 -0.71 0.00 0.00 54.79 50.80 3mnu n ASP 72 Cb 0.49 -0.62 0.64 0.00 -1.35 0.00 0.00 41.12 40.28 3mnu n ASP 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3mnu n SER 73 N -0.91 0.03 -4.27 -1.12 3.41 -1.26 -4.83 113.62 104.67 3mnu n SER 73 Ca 0.31 0.28 -0.15 0.00 -0.26 0.00 0.00 58.87 59.05 3mnu n SER 73 Cb 1.03 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.48 3mnu n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mnu s GLN 74 N -2.88 1.15 -1.14 4.33 -0.21 -1.26 -5.07 119.66 114.59 3mnu s GLN 74 Ca 0.18 -1.54 -0.22 0.00 0.02 0.00 0.00 55.36 53.81 3mnu s GLN 74 Cb 0.19 -0.54 -0.00 0.00 1.00 0.00 0.00 33.01 33.66 3mnu s GLN 74 CO 0.52 -0.02 1.77 0.34 -2.12 0.00 0.00 175.29 175.78 3mnu s ASP 75 N -3.21 5.93 0.07 5.90 -1.08 -1.26 -4.88 116.67 118.14 3mnu s ASP 75 Ca 0.22 -1.69 -0.04 0.00 -0.52 0.00 0.00 52.55 50.52 3mnu s ASP 75 Cb 0.04 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 3mnu s ASP 75 CO 0.04 -2.09 0.07 -0.54 0.52 0.00 0.00 175.17 173.16 3mnu s LYS 76 N 5.55 0.73 -0.26 4.34 1.02 -1.26 -4.99 119.74 124.87 3mnu s LYS 76 Ca 0.59 -1.13 -0.14 0.00 0.02 0.00 0.00 55.97 55.32 3mnu s LYS 76 Cb -0.00 0.27 0.02 0.00 -0.52 0.00 0.00 37.83 37.60 3mnu s LYS 76 CO 0.04 -0.19 0.28 0.00 -0.92 0.00 0.00 175.35 174.57 3mnu n ALA 77 N 0.03 -2.56 -2.61 5.17 0.00 -1.21 -4.43 120.51 114.89 3mnu n ALA 77 Ca -0.14 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 3mnu n ALA 77 Cb 0.62 -1.63 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 3mnu n ALA 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mnu s VAL 78 N -1.52 1.41 -0.05 0.00 -7.23 -0.42 -1.31 120.40 111.28 3mnu s VAL 78 Ca 0.15 -1.45 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 3mnu s VAL 78 Cb -0.02 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 3mnu s VAL 78 CO 0.53 -0.16 -0.24 -0.22 -0.31 0.00 0.00 175.10 174.70 3mnu s LEU 79 N -1.88 2.11 0.29 1.32 2.96 -0.06 -1.18 118.68 122.25 3mnu s LEU 79 Ca 0.03 -0.49 -0.19 0.00 -0.22 0.00 0.00 54.13 53.26 3mnu s LEU 79 Cb -0.10 -1.38 0.05 0.00 0.50 0.00 0.00 46.19 45.26 3mnu s LEU 79 CO 0.03 0.26 0.84 -1.59 -1.32 0.00 0.00 176.35 174.57 3mnu s LYS 80 N -0.23 1.83 1.24 1.98 -2.85 -0.64 -1.47 119.74 119.60 3mnu s LYS 80 Ca -0.01 -1.13 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 3mnu s LYS 80 Cb -0.13 0.55 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 3mnu s LYS 80 CO 0.03 -0.85 0.00 0.41 0.10 0.00 0.00 175.35 175.04 3mnu n GLY 81 N -0.54 -1.89 7.00 0.59 0.00 -1.26 -0.31 105.19 108.79 3mnu n GLY 81 Ca -0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3mnu n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mnu n GLY 82 N 0.00 2.99 0.07 -0.02 0.00 0.32 -1.57 105.19 106.98 3mnu n GLY 82 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3mnu n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mnu n PRO 83 N 13.69 0.35 -2.75 1.61 -0.04 -1.26 -2.66 135.00 143.93 3mnu n PRO 83 Ca 0.00 -0.13 -0.39 0.00 -0.04 0.00 0.00 63.50 62.94 3mnu n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 3mnu n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mnu s LEU 84 N -2.74 4.56 -0.22 1.53 1.43 -0.61 -5.05 118.68 117.58 3mnu s LEU 84 Ca 0.20 1.92 -0.05 0.00 -1.03 0.00 0.00 54.13 55.18 3mnu s LEU 84 Cb 0.19 -3.73 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3mnu s LEU 84 CO 0.55 0.09 -0.01 -1.81 0.23 0.00 0.00 176.35 175.40 3mnu s ASP 85 N -1.30 4.63 0.00 2.29 1.01 -1.26 -4.07 116.67 117.98 3mnu s ASP 85 Ca 0.44 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.40 3mnu s ASP 85 Cb -0.24 -1.80 0.00 0.00 1.01 0.00 0.00 42.92 41.89 3mnu s ASP 85 CO 0.30 0.00 0.00 0.61 0.21 0.00 0.00 175.17 176.29 3mnu n GLY 86 N 4.67 -1.76 3.47 0.21 0.00 -1.26 -4.93 105.19 105.59 3mnu n GLY 86 Ca -0.17 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 3mnu n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mnu s THR 87 N 0.00 3.33 -0.09 2.61 2.01 -1.26 -4.45 115.64 117.79 3mnu s THR 87 Ca 0.00 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3mnu s THR 87 Cb 0.00 -2.38 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 3mnu s THR 87 CO 0.00 0.56 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.01 3mnu s TYR 88 N -0.21 2.69 -0.16 4.92 2.02 -0.54 -1.10 117.35 124.96 3mnu s TYR 88 Ca 0.02 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 56.14 3mnu s TYR 88 Cb -0.13 -1.71 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 3mnu s TYR 88 CO 0.03 -0.08 0.05 0.50 -1.57 0.00 0.00 175.55 174.48 3mnu s ARG 89 N -0.13 3.79 0.12 -0.62 3.52 0.32 -0.88 118.95 125.06 3mnu s ARG 89 Ca -0.02 -0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 54.93 3mnu s ARG 89 Cb -0.14 -3.14 -0.09 0.00 -1.56 0.00 0.00 34.95 30.03 3mnu s ARG 89 CO 0.04 0.37 1.53 -1.17 -0.81 0.00 0.00 175.30 175.26 3mnu s LEU 90 N 0.08 4.36 -0.02 -0.88 2.96 -0.42 -1.42 118.68 123.35 3mnu s LEU 90 Ca 0.05 2.47 0.02 0.00 -0.22 0.00 0.00 54.13 56.45 3mnu s LEU 90 Cb -0.12 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 3mnu s LEU 90 CO 0.01 -0.79 0.02 0.00 -1.32 0.00 0.00 176.35 174.27 3mnu n ILE 91 N 4.20 0.12 -3.60 6.68 3.06 -0.01 -4.59 119.36 125.22 3mnu n ILE 91 Ca 0.14 -0.08 -0.03 0.00 -2.50 0.00 0.00 62.75 60.27 3mnu n ILE 91 Cb 0.40 -0.68 -0.02 0.00 0.54 0.00 0.00 39.64 39.89 3mnu n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mnu s GLN 92 N -2.07 0.36 0.02 9.51 1.03 -1.22 -1.47 119.66 125.83 3mnu s GLN 92 Ca -0.01 -0.16 -0.03 0.00 0.04 0.00 0.00 55.36 55.21 3mnu s GLN 92 Cb 0.01 0.15 -0.02 0.00 0.03 0.00 0.00 33.01 33.18 3mnu s GLN 92 CO 0.09 -0.16 0.03 -0.59 -2.54 0.00 0.00 175.29 172.11 3mnu s PHE 93 N -2.46 0.24 0.37 9.60 -0.12 -0.71 -0.51 117.98 124.39 3mnu s PHE 93 Ca 0.10 -0.52 -0.11 0.00 -0.05 0.00 0.00 56.93 56.36 3mnu s PHE 93 Cb 0.00 -0.18 0.04 0.00 -0.63 0.00 0.00 43.02 42.25 3mnu s PHE 93 CO -0.04 -0.27 0.68 -3.38 -0.05 0.00 0.00 175.22 172.16 3mnu s HIS 94 N -1.98 0.43 0.28 3.49 -3.43 -0.80 -1.35 115.29 111.94 3mnu s HIS 94 Ca -0.11 -0.95 0.03 0.00 -0.80 0.00 0.00 55.06 53.24 3mnu s HIS 94 Cb -0.06 0.51 -0.06 0.00 -1.43 0.00 0.00 32.58 31.55 3mnu s HIS 94 CO -0.02 -1.41 0.04 -0.06 -2.00 0.00 0.00 174.74 171.29 3mnu s PHE 95 N -2.63 1.74 -0.04 0.38 0.40 -1.26 -0.40 117.98 116.16 3mnu s PHE 95 Ca 0.20 -0.98 0.02 0.00 -0.60 0.00 0.00 56.93 55.57 3mnu s PHE 95 Cb -0.03 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.44 3mnu s PHE 95 CO 0.14 -0.07 -0.07 -1.01 0.70 0.00 0.00 175.22 174.91 3mnu s HIS 96 N -3.42 0.94 0.20 0.36 3.76 -0.41 -4.74 115.29 111.98 3mnu s HIS 96 Ca 0.34 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.90 3mnu s HIS 96 Cb 0.07 -0.74 -0.02 0.00 1.11 0.00 0.00 32.58 33.00 3mnu s HIS 96 CO 0.13 -0.18 0.27 1.67 -0.85 0.00 0.00 174.74 175.78 3mnu s TRP 97 N 0.66 0.70 0.57 1.40 -2.14 -1.23 -1.14 118.94 117.76 3mnu s TRP 97 Ca -0.10 -1.01 0.07 0.00 2.66 0.00 0.00 56.10 57.72 3mnu s TRP 97 Cb -0.13 -0.19 0.07 0.00 -3.10 0.00 0.00 33.47 30.11 3mnu s TRP 97 CO 0.01 -0.77 0.57 0.20 -2.66 0.00 0.00 176.95 174.31 3mnu s GLY 98 N -3.06 2.13 0.19 3.67 0.00 -1.18 -0.42 107.32 108.66 3mnu s GLY 98 Ca 0.27 -1.56 0.25 0.00 0.00 0.00 0.00 44.72 43.68 3mnu s GLY 98 CO 0.07 -1.87 1.51 1.48 0.00 0.00 0.00 173.10 174.29 3mnu h SER 99 N 0.48 0.00 -4.96 1.64 4.64 -1.88 -3.38 113.55 110.09 3mnu h SER 99 Ca -0.33 -0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 60.72 3mnu h SER 99 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.23 3mnu h SER 99 CO 0.50 0.05 -0.69 -0.76 -0.87 0.00 0.00 176.83 175.06 3mnu s LEU 100 N -4.61 2.43 0.56 5.97 1.43 -1.26 -5.05 118.68 118.15 3mnu s LEU 100 Ca 0.08 -0.88 0.27 0.00 -1.03 0.00 0.00 54.13 52.57 3mnu s LEU 100 Cb 0.12 0.07 1.63 0.00 0.03 0.00 0.00 46.19 48.03 3mnu s LEU 100 CO 0.67 -0.47 2.18 0.44 0.23 0.00 0.00 176.35 179.40 3mnu h ASP 101 N 3.47 0.00 0.00 2.29 3.45 -1.91 -2.79 116.42 120.93 3mnu h ASP 101 Ca -0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.12 3mnu h ASP 101 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 3mnu h ASP 101 CO 0.59 0.05 0.00 0.61 -1.57 0.00 0.00 179.24 178.92 3mnu n GLY 102 N -1.11 -0.74 3.52 2.75 0.00 -1.26 -3.51 105.19 104.83 3mnu n GLY 102 Ca -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3mnu n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mnu s GLN 103 N -2.00 1.39 0.00 1.61 -2.07 -1.05 -4.70 119.66 112.83 3mnu s GLN 103 Ca 0.33 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.88 3mnu s GLN 103 Cb 0.15 0.49 0.00 0.00 -1.09 0.00 0.00 33.01 32.56 3mnu s GLN 103 CO 0.26 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 3mnu n GLY 104 N -0.33 2.85 3.80 2.60 0.00 -1.08 -3.08 105.19 109.95 3mnu n GLY 104 Ca -0.08 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.27 3mnu n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mnu s SER 105 N 0.00 5.43 -0.20 1.61 1.04 -0.57 -3.48 113.70 117.53 3mnu s SER 105 Ca 0.00 1.77 -0.16 0.00 0.48 0.00 0.00 55.95 58.03 3mnu s SER 105 Cb 0.00 -2.52 -0.12 0.00 0.10 0.00 0.00 66.02 63.48 3mnu s SER 105 CO 0.00 -1.41 -0.07 -0.62 0.98 0.00 0.00 173.24 172.12 3mnu n GLU 106 N -2.62 0.53 -2.38 4.02 1.02 -1.26 -4.83 120.64 115.12 3mnu n GLU 106 Ca 0.08 0.47 -0.33 0.00 -0.02 0.00 0.00 57.16 57.37 3mnu n GLU 106 Cb 0.53 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.27 3mnu n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mnu s HIS 107 N -2.41 3.26 0.14 -0.32 3.76 -1.26 -4.26 115.29 114.20 3mnu s HIS 107 Ca -0.26 1.51 0.06 0.00 -0.15 0.00 0.00 55.06 56.22 3mnu s HIS 107 Cb 0.06 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.82 3mnu s HIS 107 CO 0.44 -0.59 -0.14 0.95 -0.85 0.00 0.00 174.74 174.56 3mnu s THR 108 N -2.44 1.41 -0.28 1.30 -4.23 -1.19 -4.70 115.64 105.51 3mnu s THR 108 Ca 0.62 -1.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3mnu s THR 108 Cb -0.12 -1.69 0.06 0.00 1.34 0.00 0.00 72.50 72.09 3mnu s THR 108 CO 0.29 -0.49 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.12 3mnu s VAL 109 N -2.45 2.36 -1.42 2.29 1.01 -0.84 0.50 120.40 121.85 3mnu s VAL 109 Ca 0.13 -1.67 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 3mnu s VAL 109 Cb -0.03 -2.42 0.04 0.00 0.00 0.00 0.00 36.38 33.97 3mnu s VAL 109 CO 0.03 -0.11 1.05 0.47 0.00 0.00 0.00 175.10 176.55 3mnu n ASP 110 N 4.45 -5.02 0.00 3.32 10.43 -0.03 -1.18 116.55 128.52 3mnu n ASP 110 Ca -0.12 -0.67 0.00 0.00 2.57 0.00 0.00 54.79 56.57 3mnu n ASP 110 Cb 0.42 -4.49 0.00 0.00 1.84 0.00 0.00 41.12 38.89 3mnu n ASP 110 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3mnu n LYS 111 N -4.76 0.00 -2.45 -1.24 4.76 -1.26 -5.00 118.16 108.22 3mnu n LYS 111 Ca -0.02 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3mnu n LYS 111 Cb 0.56 -2.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 3mnu n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3mnu s LYS 112 N -0.16 4.45 -0.20 1.97 2.20 -0.32 -4.99 119.74 122.69 3mnu s LYS 112 Ca 0.00 1.75 -0.09 0.00 -0.36 0.00 0.00 55.97 57.26 3mnu s LYS 112 Cb 0.00 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3mnu s LYS 112 CO 0.00 -0.21 0.11 0.15 -0.36 0.00 0.00 175.35 175.03 3mnu s LYS 113 N 0.91 4.08 0.61 4.03 1.02 -1.26 -1.99 119.74 127.14 3mnu s LYS 113 Ca 0.57 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 56.25 3mnu s LYS 113 Cb -0.29 -3.36 0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3mnu s LYS 113 CO 0.30 0.25 0.89 0.71 -0.92 0.00 0.00 175.35 176.57 3mnu s TYR 114 N 0.49 2.98 0.45 3.18 1.51 -1.26 -4.56 117.35 120.13 3mnu s TYR 114 Ca 0.06 0.30 0.16 0.00 -1.01 0.00 0.00 57.07 56.58 3mnu s TYR 114 Cb -0.12 -2.90 1.07 0.00 -0.11 0.00 0.00 41.96 39.90 3mnu s TYR 114 CO -0.00 -1.05 2.01 0.00 -1.11 0.00 0.00 175.55 175.40 3mnu h ALA 115 N -0.22 1.68 -2.69 3.71 0.00 -1.42 -1.46 119.26 118.86 3mnu h ALA 115 Ca -0.44 -0.15 0.10 0.00 0.00 0.00 0.00 54.91 54.42 3mnu h ALA 115 Cb 1.29 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3mnu h ALA 115 CO 0.57 0.20 0.43 0.00 0.00 0.00 0.00 179.25 180.46 3mnu s ALA 116 N -4.63 -1.30 -0.13 0.00 0.00 -1.03 -3.15 121.76 111.51 3mnu s ALA 116 Ca -0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 3mnu s ALA 116 Cb 0.16 0.72 0.05 0.00 0.00 0.00 0.00 23.12 24.04 3mnu s ALA 116 CO 0.68 -1.03 0.32 -2.00 0.00 0.00 0.00 175.76 173.73 3mnu s GLU 117 N -2.60 0.30 -0.16 0.00 2.12 -0.29 -1.20 118.70 116.88 3mnu s GLU 117 Ca 0.17 0.63 -0.10 0.00 0.36 0.00 0.00 54.97 56.02 3mnu s GLU 117 Cb -0.03 -0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.26 3mnu s GLU 117 CO 0.07 -0.15 0.19 -1.17 -0.54 0.00 0.00 175.26 173.66 3mnu s LEU 118 N 1.20 4.28 -0.24 2.70 2.96 0.13 -1.29 118.68 128.42 3mnu s LEU 118 Ca -0.08 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 3mnu s LEU 118 Cb -0.09 -2.19 0.05 0.00 0.50 0.00 0.00 46.19 44.46 3mnu s LEU 118 CO -0.09 0.23 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.04 3mnu s HIS 119 N -0.07 3.15 -0.40 5.38 3.76 0.47 -1.04 115.29 126.52 3mnu s HIS 119 Ca 0.13 -2.12 -0.15 0.00 -0.15 0.00 0.00 55.06 52.77 3mnu s HIS 119 Cb -0.12 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.65 3mnu s HIS 119 CO 0.02 -0.85 0.30 -0.51 -0.85 0.00 0.00 174.74 172.84 3mnu s LEU 120 N 1.16 5.06 -0.12 0.89 1.43 -0.46 -1.90 118.68 124.74 3mnu s LEU 120 Ca -0.05 -0.86 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 3mnu s LEU 120 Cb -0.18 -2.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3mnu s LEU 120 CO -0.07 -0.43 0.52 -0.69 0.23 0.00 0.00 176.35 175.90 3mnu s VAL 121 N 1.69 5.16 0.03 -1.59 1.01 0.34 -1.07 120.40 125.96 3mnu s VAL 121 Ca 0.05 1.03 0.04 0.00 0.00 0.00 0.00 61.98 63.10 3mnu s VAL 121 Cb -0.19 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3mnu s VAL 121 CO 0.10 0.30 -0.11 -1.00 0.00 0.00 0.00 175.10 174.38 3mnu s HIS 122 N 0.78 1.00 0.02 5.22 3.76 -0.38 -0.83 115.29 124.86 3mnu s HIS 122 Ca 0.27 -0.32 0.05 0.00 -0.15 0.00 0.00 55.06 54.92 3mnu s HIS 122 Cb -0.15 -0.61 -0.03 0.00 1.11 0.00 0.00 32.58 32.90 3mnu s HIS 122 CO 0.11 0.00 -0.14 1.67 -0.85 0.00 0.00 174.74 175.54 3mnu s TRP 123 N -0.75 2.68 -0.17 1.40 1.48 -0.50 -1.06 118.94 122.02 3mnu s TRP 123 Ca 0.00 -0.17 -0.29 0.00 -1.06 0.00 0.00 56.10 54.58 3mnu s TRP 123 Cb -0.07 -1.53 -0.05 0.00 -1.16 0.00 0.00 33.47 30.66 3mnu s TRP 123 CO 0.01 0.28 1.89 1.21 -4.06 0.00 0.00 176.95 176.28 3mnu s ASN 124 N -1.34 6.09 0.20 -2.66 3.84 0.10 -0.53 114.94 120.65 3mnu s ASN 124 Ca 0.15 1.93 0.16 0.00 0.21 0.00 0.00 52.86 55.30 3mnu s ASN 124 Cb -0.11 -2.52 0.78 0.00 -0.55 0.00 0.00 41.25 38.85 3mnu s ASN 124 CO 0.05 -1.45 1.48 0.35 -2.79 0.00 0.00 177.10 174.74 3mnu n THR 125 N 6.67 1.26 0.59 -5.21 -2.24 -0.26 -1.66 114.28 113.43 3mnu n THR 125 Ca 0.23 0.55 0.08 0.00 -2.27 0.00 0.00 64.05 62.64 3mnu n THR 125 Cb 0.44 -1.52 0.36 0.00 -2.10 0.00 0.00 70.33 67.52 3mnu n THR 125 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3mnu n LYS 127 N -1.99 0.01 -0.41 -0.78 2.85 -1.26 -2.80 118.16 113.78 3mnu n LYS 127 Ca -0.00 0.21 0.09 0.00 -1.05 0.00 0.00 58.31 57.55 3mnu n LYS 127 Cb 0.07 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.23 3mnu n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3mnu n TYR 128 N -1.49 1.01 0.00 5.58 0.53 -0.67 -5.01 117.16 117.12 3mnu n TYR 128 Ca 0.04 -0.58 0.00 0.00 -1.02 0.00 0.00 57.90 56.34 3mnu n TYR 128 Cb 0.19 -0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.37 3mnu n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3mnu n GLY 129 N 0.88 1.39 3.60 2.72 0.00 -1.12 -4.39 105.19 108.27 3mnu n GLY 129 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 3mnu n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mnu s ASP 130 N 0.00 0.53 0.22 1.61 1.47 -1.26 -5.02 116.67 114.22 3mnu s ASP 130 Ca 0.00 -1.31 -0.08 0.00 1.18 0.00 0.00 52.55 52.34 3mnu s ASP 130 Cb 0.00 0.71 0.18 0.00 -0.34 0.00 0.00 42.92 43.47 3mnu s ASP 130 CO 0.00 -1.40 1.82 0.15 0.68 0.00 0.00 175.17 176.43 3mnu h PHE 131 N 2.09 1.20 -0.84 2.11 3.04 -1.94 -1.78 116.94 120.83 3mnu h PHE 131 Ca -0.29 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 61.66 3mnu h PHE 131 Cb 1.24 -0.37 -0.06 0.00 2.56 0.00 0.00 35.95 39.32 3mnu h PHE 131 CO 1.32 0.86 0.52 0.78 -2.02 0.00 0.00 178.31 179.77 3mnu h GLY 132 N 1.19 1.24 1.57 2.40 0.00 -1.97 -2.11 103.07 105.40 3mnu h GLY 132 Ca 0.29 -0.39 -0.23 0.00 0.00 0.00 0.00 47.33 47.01 3mnu h GLY 132 CO -0.04 0.29 -0.96 0.50 0.00 0.00 0.00 176.54 176.33 3mnu h LYS 133 N 0.98 0.39 -0.93 4.80 1.79 -1.76 -3.31 116.57 118.53 3mnu h LYS 133 Ca 0.35 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3mnu h LYS 133 Cb 0.11 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 3mnu h LYS 133 CO -0.15 1.10 0.61 0.00 -1.08 0.00 0.00 179.45 179.93 3mnu h ALA 134 N 0.75 1.21 0.00 3.86 0.00 -0.83 -2.25 119.26 122.00 3mnu h ALA 134 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3mnu h ALA 134 Cb 1.60 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3mnu h ALA 134 CO 0.16 0.50 0.00 1.33 0.00 0.00 0.00 179.25 181.24 3mnu n VAL 135 N -4.48 0.00 -0.02 0.00 0.24 -0.84 -1.49 118.33 111.74 3mnu n VAL 135 Ca 0.12 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.46 3mnu n VAL 135 Cb 0.07 -0.19 0.09 0.00 -1.47 0.00 0.00 33.84 32.35 3mnu n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mnu n GLN 136 N -0.35 2.27 -4.56 7.34 6.02 -0.85 -4.89 117.38 122.37 3mnu n GLN 136 Ca 0.00 -1.69 -0.28 0.00 -0.01 0.00 0.00 57.00 55.02 3mnu n GLN 136 Cb 0.04 -1.18 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 3mnu n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mnu s GLN 137 N -0.92 1.47 0.56 -1.09 -1.52 -0.55 -5.03 119.66 112.57 3mnu s GLN 137 Ca 0.15 -1.19 0.30 0.00 -1.95 0.00 0.00 55.36 52.67 3mnu s GLN 137 Cb 0.08 -1.79 1.66 0.00 -0.22 0.00 0.00 33.01 32.74 3mnu s GLN 137 CO 0.11 0.44 2.15 -1.35 -0.25 0.00 0.00 175.29 176.39 3mnu h PRO 138 N 4.32 0.00 -0.40 2.91 0.11 -1.85 -2.67 132.00 134.42 3mnu h PRO 138 Ca -0.48 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.33 3mnu h PRO 138 Cb 1.16 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.98 3mnu h PRO 138 CO 0.41 0.07 -0.80 -0.40 -0.21 0.00 0.00 178.00 177.07 3mnu n ASP 139 N -3.60 3.01 0.13 -2.05 3.85 -1.26 -4.21 116.55 112.42 3mnu n ASP 139 Ca -0.02 -3.32 0.00 0.00 -0.71 0.00 0.00 54.79 50.75 3mnu n ASP 139 Cb 0.18 -0.41 0.08 0.00 -1.35 0.00 0.00 41.12 39.62 3mnu n ASP 139 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 3mnu h GLY 140 N 1.78 0.00 -3.22 6.12 0.00 -1.24 -3.43 103.07 103.08 3mnu h GLY 140 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.98 3mnu h GLY 140 CO 0.37 0.00 -0.76 1.08 0.00 0.00 0.00 176.54 177.23 3mnu s LEU 141 N -6.80 2.46 -0.07 3.11 1.43 0.41 0.01 118.68 119.24 3mnu s LEU 141 Ca 0.02 -0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 52.21 3mnu s LEU 141 Cb 0.10 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.67 3mnu s LEU 141 CO 0.75 -0.11 0.05 0.00 0.23 0.00 0.00 176.35 177.27 3mnu s ALA 142 N -2.33 0.38 -0.16 4.21 0.00 -0.23 -0.90 121.76 122.74 3mnu s ALA 142 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3mnu s ALA 142 Cb -0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 3mnu s ALA 142 CO 0.05 -0.58 -0.10 0.08 0.00 0.00 0.00 175.76 175.22 3mnu s VAL 143 N 2.11 3.20 -0.35 0.00 1.01 -1.01 -1.25 120.40 124.11 3mnu s VAL 143 Ca 0.04 -0.59 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 3mnu s VAL 143 Cb -0.13 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 3mnu s VAL 143 CO -0.04 0.49 0.49 -0.22 0.00 0.00 0.00 175.10 175.82 3mnu s LEU 144 N 0.76 4.36 -0.14 3.92 2.96 -0.24 -1.63 118.68 128.68 3mnu s LEU 144 Ca -0.04 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3mnu s LEU 144 Cb -0.15 -2.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3mnu s LEU 144 CO 0.01 -0.46 0.10 -0.83 -1.32 0.00 0.00 176.35 173.86 3mnu s GLY 145 N 1.75 2.04 -0.06 7.98 0.00 0.98 -1.36 107.32 118.65 3mnu s GLY 145 Ca 0.18 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.21 3mnu s GLY 145 CO 0.13 -0.22 -0.05 -0.42 0.00 0.00 0.00 173.10 172.53 3mnu s ILE 146 N -0.45 0.67 0.41 0.90 1.01 -0.21 -1.17 121.20 122.37 3mnu s ILE 146 Ca 0.11 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.37 3mnu s ILE 146 Cb -0.12 -0.70 -0.10 0.00 0.01 0.00 0.00 42.46 41.55 3mnu s ILE 146 CO 0.02 0.27 0.96 -0.36 0.00 0.00 0.00 174.94 175.83 3mnu s PHE 147 N 1.13 3.34 -0.08 3.97 0.08 -1.26 0.21 117.98 125.37 3mnu s PHE 147 Ca -0.07 1.64 0.04 0.00 0.12 0.00 0.00 56.93 58.66 3mnu s PHE 147 Cb -0.14 -2.90 -0.00 0.00 -0.57 0.00 0.00 43.02 39.41 3mnu s PHE 147 CO -0.01 -0.16 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.22 3mnu s LEU 148 N -2.98 2.02 0.20 -0.37 1.02 -0.34 -0.85 118.68 117.38 3mnu s LEU 148 Ca 0.60 -0.50 0.11 0.00 0.02 0.00 0.00 54.13 54.36 3mnu s LEU 148 Cb -0.12 -1.30 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 3mnu s LEU 148 CO 0.17 0.17 -0.22 -1.59 0.02 0.00 0.00 176.35 174.89 3mnu s LYS 149 N 0.20 1.48 -0.17 1.70 -2.85 -0.60 -1.92 119.74 117.57 3mnu s LYS 149 Ca -0.13 -1.53 -0.20 0.00 -1.00 0.00 0.00 55.97 53.11 3mnu s LYS 149 Cb -0.16 -1.71 -0.03 0.00 -2.06 0.00 0.00 37.83 33.87 3mnu s LYS 149 CO 0.06 0.36 0.60 0.08 0.10 0.00 0.00 175.35 176.55 3mnu s VAL 150 N -1.86 5.06 0.00 1.79 1.01 -1.26 -1.11 120.40 124.03 3mnu s VAL 150 Ca 0.21 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3mnu s VAL 150 Cb -0.07 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3mnu s VAL 150 CO 0.10 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.97 3mnu n GLY 151 N 3.66 0.28 3.79 4.51 0.00 0.72 -4.89 105.19 113.26 3mnu n GLY 151 Ca -0.03 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 3mnu n GLY 151 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mnu s SER 152 N 2.00 5.94 0.61 1.61 1.04 -1.26 -3.91 113.70 119.73 3mnu s SER 152 Ca 0.00 1.97 -0.17 0.00 0.48 0.00 0.00 55.95 58.23 3mnu s SER 152 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3mnu s SER 152 CO 0.00 -1.06 1.11 0.00 0.98 0.00 0.00 173.24 174.27 3mnu s ALA 153 N -2.07 2.59 -0.48 5.32 0.00 -1.26 -1.90 121.76 123.96 3mnu s ALA 153 Ca 0.68 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.17 3mnu s ALA 153 Cb -0.19 -3.33 0.11 0.00 0.00 0.00 0.00 23.12 19.72 3mnu s ALA 153 CO 0.28 -1.02 0.37 0.21 0.00 0.00 0.00 175.76 175.59 3mnu s LYS 154 N -3.76 2.66 0.28 0.00 2.47 -1.21 -4.78 119.74 115.41 3mnu s LYS 154 Ca 0.69 -1.66 -0.00 0.00 -1.56 0.00 0.00 55.97 53.44 3mnu s LYS 154 Cb -0.21 -4.00 0.64 0.00 -1.46 0.00 0.00 37.83 32.80 3mnu s LYS 154 CO 0.35 -1.16 1.64 -1.35 0.16 0.00 0.00 175.35 174.98 3mnu h PRO 155 N 8.57 0.16 0.00 4.03 0.11 -1.91 -0.15 132.00 142.82 3mnu h PRO 155 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3mnu h PRO 155 Cb 1.08 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mnu h PRO 155 CO 0.88 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 3mnu n GLY 156 N -1.40 -1.01 0.07 -0.55 0.00 -1.26 -2.62 105.19 98.43 3mnu n GLY 156 Ca 0.19 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.37 3mnu n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3mnu n LEU 157 N -1.88 0.59 -0.30 0.99 7.94 -0.07 -4.45 117.00 119.82 3mnu n LEU 157 Ca 0.02 0.16 0.07 0.00 -1.11 0.00 0.00 56.01 55.15 3mnu n LEU 157 Cb 0.15 -0.06 0.29 0.00 0.53 0.00 0.00 43.42 44.32 3mnu n LEU 157 CO 0.13 -0.08 1.23 -0.61 -1.11 0.00 0.00 177.39 176.96 3mnu h GLN 158 N 0.00 0.88 -0.34 1.96 5.75 -1.51 -0.85 115.11 121.00 3mnu h GLN 158 Ca 0.00 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3mnu h GLN 158 Cb 0.91 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.25 3mnu h GLN 158 CO 0.00 0.58 0.18 0.87 -2.65 0.00 0.00 178.83 177.81 3mnu h LYS 159 N 0.90 0.46 -0.11 1.69 1.57 -1.79 0.62 116.57 119.91 3mnu h LYS 159 Ca 0.43 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 59.08 3mnu h LYS 159 Cb 0.44 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3mnu h LYS 159 CO -0.20 0.34 -0.31 0.28 -0.57 0.00 0.00 179.45 178.99 3mnu h VAL 160 N 0.47 1.39 -0.97 0.50 2.07 -1.47 -3.16 116.25 115.07 3mnu h VAL 160 Ca 0.12 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.04 3mnu h VAL 160 Cb 0.02 2.15 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3mnu h VAL 160 CO -0.02 0.48 0.64 0.58 0.02 0.00 0.00 177.57 179.27 3mnu h VAL 161 N -0.03 1.16 0.00 2.57 2.07 -0.55 -2.81 116.25 118.66 3mnu h VAL 161 Ca -0.01 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3mnu h VAL 161 Cb 0.93 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3mnu h VAL 161 CO 0.07 0.22 0.00 0.44 0.02 0.00 0.00 177.57 178.32 3mnu h ASP 162 N 1.23 0.00 0.50 0.57 3.32 -0.92 -3.08 116.42 118.03 3mnu h ASP 162 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3mnu h ASP 162 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3mnu h ASP 162 CO -0.13 0.00 -0.72 0.55 -1.72 0.00 0.00 179.24 177.23 3mnu n VAL 163 N -2.74 0.11 0.23 -1.35 3.14 -1.07 -4.20 118.33 112.46 3mnu n VAL 163 Ca 0.03 -0.12 0.13 0.00 -2.96 0.00 0.00 64.34 61.42 3mnu n VAL 163 Cb 0.36 0.24 0.75 0.00 -1.06 0.00 0.00 33.84 34.13 3mnu n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3mnu h LEU 164 N 0.00 0.00 -1.94 6.55 3.38 -1.48 -0.93 115.31 120.90 3mnu h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3mnu h LEU 164 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 3mnu h LEU 164 CO 0.00 0.00 -0.04 -2.24 0.09 0.00 0.00 178.44 176.25 3mnu h ASP 165 N 0.00 0.00 0.27 -0.43 2.03 -1.79 -2.43 116.42 114.08 3mnu h ASP 165 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3mnu h ASP 165 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 3mnu h ASP 165 CO -0.00 0.04 -0.33 -1.54 -1.03 0.00 0.00 179.24 176.38 3mnu n SER 166 N -3.21 0.96 -2.58 4.15 3.41 -0.35 -4.09 113.62 111.91 3mnu n SER 166 Ca -0.01 -0.79 -0.10 0.00 -0.26 0.00 0.00 58.87 57.71 3mnu n SER 166 Cb 0.24 0.19 0.03 0.00 -0.26 0.00 0.00 64.21 64.41 3mnu n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mnu n ILE 167 N -0.81 1.62 -0.33 -1.33 -5.35 -0.93 -4.71 119.36 107.52 3mnu n ILE 167 Ca 0.11 -3.45 0.04 0.00 -0.27 0.00 0.00 62.75 59.18 3mnu n ILE 167 Cb 0.35 0.35 0.19 0.00 -1.74 0.00 0.00 39.64 38.80 3mnu n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mnu h LYS 168 N 2.58 0.90 -6.17 6.28 3.64 -1.68 -3.43 116.57 118.70 3mnu h LYS 168 Ca 0.03 -0.05 -0.53 0.00 -1.27 0.00 0.00 60.65 58.83 3mnu h LYS 168 Cb 1.28 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 3mnu h LYS 168 CO 0.45 0.59 -0.54 0.95 -2.27 0.00 0.00 179.45 178.63 3mnu s THR 169 N -6.01 3.62 0.18 1.00 -4.23 -1.26 -0.06 115.64 108.88 3mnu s THR 169 Ca -0.12 -1.60 -0.33 0.00 -1.18 0.00 0.00 61.69 58.46 3mnu s THR 169 Cb 0.20 -3.11 -0.14 0.00 1.34 0.00 0.00 72.50 70.80 3mnu s THR 169 CO 0.80 -0.27 1.47 1.17 -0.54 0.00 0.00 174.62 177.25 3mnu n LYS 170 N -1.14 1.96 0.00 3.99 4.81 0.17 -2.29 118.16 125.65 3mnu n LYS 170 Ca -0.05 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 3mnu n LYS 170 Cb 0.59 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.24 3mnu n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mnu n GLY 171 N 2.81 1.95 3.79 3.14 0.00 0.48 -4.46 105.19 112.91 3mnu n GLY 171 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3mnu n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mnu s LYS 172 N -0.74 4.43 0.11 1.61 1.02 -0.97 -4.88 119.74 120.31 3mnu s LYS 172 Ca 0.00 1.06 -0.02 0.00 0.02 0.00 0.00 55.97 57.03 3mnu s LYS 172 Cb 0.00 -2.99 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3mnu s LYS 172 CO 0.00 0.43 0.06 -1.54 -0.92 0.00 0.00 175.35 173.39 3mnu s SER 173 N -1.47 0.32 -0.02 2.83 1.04 -1.26 -1.17 113.70 113.96 3mnu s SER 173 Ca 0.42 -1.06 -0.15 0.00 0.48 0.00 0.00 55.95 55.64 3mnu s SER 173 Cb -0.19 0.28 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3mnu s SER 173 CO 0.23 -0.71 0.33 0.00 0.98 0.00 0.00 173.24 174.07 3mnu s ALA 174 N -3.98 -0.83 0.38 5.32 0.00 -0.14 -4.92 121.76 117.59 3mnu s ALA 174 Ca 0.16 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.26 3mnu s ALA 174 Cb 0.07 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.11 3mnu s ALA 174 CO -0.03 -0.26 1.38 -0.25 0.00 0.00 0.00 175.76 176.60 3mnu n ASP 175 N 1.38 3.19 -2.94 0.00 8.00 -1.26 -0.85 116.55 124.07 3mnu n ASP 175 Ca -0.21 1.19 -0.14 0.00 0.71 0.00 0.00 54.79 56.35 3mnu n ASP 175 Cb 0.56 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.12 40.10 3mnu n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mnu n PHE 176 N 0.23 -2.37 -3.46 1.24 7.35 -0.61 -4.68 117.46 115.17 3mnu n PHE 176 Ca 0.04 -2.35 -0.23 0.00 -0.76 0.00 0.00 57.45 54.15 3mnu n PHE 176 Cb 0.38 0.89 -0.01 0.00 0.35 0.00 0.00 39.48 41.09 3mnu n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3mnu s THR 177 N 0.14 4.91 -1.77 -2.13 -4.23 -1.25 -3.17 115.64 108.14 3mnu s THR 177 Ca 0.33 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 3mnu s THR 177 Cb 0.15 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3mnu s THR 177 CO -0.17 -0.45 0.00 0.59 -0.54 0.00 0.00 174.62 174.05 3mnu n ASN 178 N -1.73 -5.84 -4.73 3.99 4.13 -1.26 -4.95 115.26 104.87 3mnu n ASN 178 Ca -0.04 0.01 -0.38 0.00 1.68 0.00 0.00 54.58 55.84 3mnu n ASN 178 Cb 0.57 -4.87 -0.06 0.00 -1.54 0.00 0.00 39.78 33.88 3mnu n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3mnu s PHE 179 N -3.02 3.56 -0.44 3.10 5.36 -1.26 -5.00 117.98 120.27 3mnu s PHE 179 Ca 0.00 1.03 -0.15 0.00 -0.96 0.00 0.00 56.93 56.85 3mnu s PHE 179 Cb 0.00 -2.62 0.05 0.00 -0.34 0.00 0.00 43.02 40.11 3mnu s PHE 179 CO 0.00 0.19 0.35 0.34 -1.46 0.00 0.00 175.22 174.64 3mnu s ASP 180 N 0.50 6.13 0.13 6.13 3.68 -1.26 -4.44 116.67 127.54 3mnu s ASP 180 Ca 0.30 -1.10 0.15 0.00 2.13 0.00 0.00 52.55 54.03 3mnu s ASP 180 Cb -0.16 -2.17 0.67 0.00 -1.45 0.00 0.00 42.92 39.81 3mnu s ASP 180 CO 0.13 -0.55 1.46 -0.81 0.13 0.00 0.00 175.17 175.53 3mnu n PRO 181 N 5.20 0.08 0.31 4.34 -0.04 -1.26 -2.23 135.00 141.39 3mnu n PRO 181 Ca -0.12 0.43 0.20 0.00 -0.04 0.00 0.00 63.50 63.97 3mnu n PRO 181 Cb 0.45 -1.69 0.96 0.00 -0.04 0.00 0.00 33.50 33.19 3mnu n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mnu h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.53 114.38 114.55 3mnu h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mnu h ARG 182 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3mnu h ARG 182 CO 0.00 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.32 3mnu n GLY 183 N -0.58 -0.94 0.28 0.04 0.00 -0.95 -2.88 105.19 100.16 3mnu n GLY 183 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3mnu n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mnu n LEU 184 N -0.77 1.90 -4.85 0.99 4.77 -0.58 -4.03 117.00 114.43 3mnu n LEU 184 Ca 0.12 -1.41 -0.37 0.00 -0.03 0.00 0.00 56.01 54.32 3mnu n LEU 184 Cb 0.06 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3mnu n LEU 184 CO 0.09 0.44 0.11 -0.76 -1.33 0.00 0.00 177.39 175.94 3mnu s LEU 185 N -0.70 4.43 0.99 2.23 1.43 -1.14 -4.93 118.68 120.99 3mnu s LEU 185 Ca 0.09 0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 53.96 3mnu s LEU 185 Cb 0.05 -2.77 0.21 0.00 0.03 0.00 0.00 46.19 43.71 3mnu s LEU 185 CO 0.08 0.26 1.29 -2.16 0.23 0.00 0.00 176.35 176.05 3mnu s PRO 186 N -1.40 0.39 0.02 1.29 0.04 -1.26 -5.01 135.00 129.06 3mnu s PRO 186 Ca 0.28 -0.36 -0.27 0.00 0.04 0.00 0.00 61.00 60.69 3mnu s PRO 186 Cb -0.16 -1.81 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 3mnu s PRO 186 CO 0.15 -2.59 1.26 0.93 0.04 0.00 0.00 177.00 176.80 3mnu h GLU 187 N -1.77 -0.65 -6.73 4.56 5.08 -1.91 -3.45 114.58 109.72 3mnu h GLU 187 Ca -0.44 0.04 -0.50 0.00 -1.00 0.00 0.00 59.36 57.46 3mnu h GLU 187 Cb 1.24 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3mnu h GLU 187 CO 0.38 -0.34 0.03 -1.54 -1.00 0.00 0.00 179.01 176.53 3mnu s SER 188 N -4.76 6.48 -0.15 1.42 1.04 -1.26 -4.99 113.70 111.48 3mnu s SER 188 Ca -0.15 0.97 0.16 0.00 0.48 0.00 0.00 55.95 57.41 3mnu s SER 188 Cb 0.02 -2.25 0.53 0.00 0.10 0.00 0.00 66.02 64.42 3mnu s SER 188 CO 0.52 -0.34 1.43 0.18 0.98 0.00 0.00 173.24 176.01 3mnu n LEU 189 N -1.23 3.94 -4.74 2.42 4.77 -1.26 -4.76 117.00 116.14 3mnu n LEU 189 Ca 0.01 -2.83 -0.42 0.00 -0.03 0.00 0.00 56.01 52.73 3mnu n LEU 189 Cb 0.54 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3mnu n LEU 189 CO 0.48 0.68 1.10 0.47 -1.33 0.00 0.00 177.39 178.79 3mnu n ASP 190 N -0.19 3.47 -3.89 -1.43 10.43 -1.26 -4.90 116.55 118.78 3mnu n ASP 190 Ca 0.21 1.19 -0.09 0.00 2.57 0.00 0.00 54.79 58.67 3mnu n ASP 190 Cb 0.85 -1.56 -0.05 0.00 1.84 0.00 0.00 41.12 42.20 3mnu n ASP 190 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 3mnu s TYR 191 N -0.72 0.19 0.09 1.24 -0.85 -1.26 -1.24 117.35 114.80 3mnu s TYR 191 Ca 0.58 -0.55 0.08 0.00 -0.52 0.00 0.00 57.07 56.66 3mnu s TYR 191 Cb -0.52 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 3mnu s TYR 191 CO 0.58 -0.89 -0.15 -1.58 -1.52 0.00 0.00 175.55 171.99 3mnu s TRP 192 N -3.95 2.62 -0.01 -3.49 0.51 -0.04 -1.22 118.94 113.36 3mnu s TRP 192 Ca 0.16 -0.22 -0.04 0.00 -2.12 0.00 0.00 56.10 53.88 3mnu s TRP 192 Cb 0.00 -1.41 0.00 0.00 -0.81 0.00 0.00 33.47 31.25 3mnu s TRP 192 CO 0.02 0.37 0.08 -0.08 -0.51 0.00 0.00 176.95 176.83 3mnu s THR 193 N -1.10 0.05 0.09 2.01 -1.32 0.34 -0.98 115.64 114.73 3mnu s THR 193 Ca 0.18 -0.42 -0.25 0.00 -1.21 0.00 0.00 61.69 59.99 3mnu s THR 193 Cb -0.11 -0.26 0.08 0.00 -1.51 0.00 0.00 72.50 70.70 3mnu s THR 193 CO 0.10 -0.23 0.70 -0.72 -2.21 0.00 0.00 174.62 172.26 3mnu s TYR 194 N -0.73 -0.48 -0.11 9.09 -0.85 -1.01 -1.45 117.35 121.80 3mnu s TYR 194 Ca -0.08 0.34 -0.27 0.00 -0.52 0.00 0.00 57.07 56.54 3mnu s TYR 194 Cb -0.05 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 3mnu s TYR 194 CO 0.00 -0.74 0.88 -1.25 -1.52 0.00 0.00 175.55 172.92 3mnu s PRO 195 N -3.39 4.40 0.00 -3.49 0.04 -1.26 -1.12 135.00 130.18 3mnu s PRO 195 Ca 0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.21 3mnu s PRO 195 Cb -0.01 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.01 3mnu s PRO 195 CO -0.10 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.14 3mnu n GLY 196 N 3.21 5.13 2.80 0.56 0.00 0.12 -4.82 105.19 112.18 3mnu n GLY 196 Ca 0.05 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.97 3mnu n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mnu n SER 197 N 0.00 -0.76 -4.77 1.61 3.41 -1.11 -2.53 113.62 109.47 3mnu n SER 197 Ca 0.00 -2.82 -0.37 0.00 -0.26 0.00 0.00 58.87 55.42 3mnu n SER 197 Cb 0.00 1.64 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 3mnu n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mnu s LEU 198 N 0.00 4.11 0.00 1.04 1.43 -0.26 -4.48 118.68 120.51 3mnu s LEU 198 Ca 0.32 2.21 0.24 0.00 -1.03 0.00 0.00 54.13 55.87 3mnu s LEU 198 Cb 0.01 -4.17 0.72 0.00 0.03 0.00 0.00 46.19 42.78 3mnu s LEU 198 CO 0.23 -0.69 1.55 0.35 0.23 0.00 0.00 176.35 178.02 3mnu n THR 199 N -0.18 0.14 -4.24 5.49 -2.24 -1.26 -4.36 114.28 107.63 3mnu n THR 199 Ca 0.06 -0.39 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 3mnu n THR 199 Cb 0.48 0.70 -0.12 0.00 -2.10 0.00 0.00 70.33 69.29 3mnu n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mnu s THR 200 N -1.86 1.46 0.45 4.28 -4.23 -1.26 -4.70 115.64 109.77 3mnu s THR 200 Ca 0.34 -1.47 -0.23 0.00 -1.18 0.00 0.00 61.69 59.16 3mnu s THR 200 Cb 0.20 -1.37 -0.10 0.00 1.34 0.00 0.00 72.50 72.57 3mnu s THR 200 CO 0.30 -0.15 0.89 -2.65 -0.54 0.00 0.00 174.62 172.48 3mnu n PRO 201 N 1.12 1.10 0.00 3.99 -0.02 -1.26 -0.02 135.00 139.90 3mnu n PRO 201 Ca -0.20 0.40 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 3mnu n PRO 201 Cb 0.54 -1.94 0.29 0.00 -0.02 0.00 0.00 33.50 32.37 3mnu n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mnu n PRO 202 N 0.08 0.59 -3.01 0.52 -0.04 -1.26 -4.99 135.00 126.89 3mnu n PRO 202 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.35 3mnu n PRO 202 Cb 0.41 -1.26 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 3mnu n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mnu n LEU 203 N -0.76 -2.10 -4.77 1.53 4.77 0.96 -4.90 117.00 111.74 3mnu n LEU 203 Ca 0.07 -0.24 -0.41 0.00 -0.03 0.00 0.00 56.01 55.40 3mnu n LEU 203 Cb 0.03 -2.62 -0.01 0.00 -2.33 0.00 0.00 43.42 38.49 3mnu n LEU 203 CO 0.05 0.13 1.17 -0.76 -1.33 0.00 0.00 177.39 176.66 3mnu s LEU 204 N -6.46 4.33 -1.24 2.23 1.43 -1.26 -4.33 118.68 113.39 3mnu s LEU 204 Ca 0.27 2.99 -0.07 0.00 -1.03 0.00 0.00 54.13 56.29 3mnu s LEU 204 Cb -0.13 -3.65 0.19 0.00 0.03 0.00 0.00 46.19 42.63 3mnu s LEU 204 CO 0.34 -0.87 1.89 -0.62 0.23 0.00 0.00 176.35 177.31 3mnu n GLU 205 N 1.17 4.06 -0.14 1.70 1.02 -1.26 -1.10 120.64 126.09 3mnu n GLU 205 Ca 0.04 -3.77 0.04 0.00 -0.02 0.00 0.00 57.16 53.45 3mnu n GLU 205 Cb 0.39 -2.77 0.06 0.00 -0.02 0.00 0.00 31.44 29.10 3mnu n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mnu s VAL 207 N -1.50 3.91 -0.36 0.00 1.01 -1.05 -0.44 120.40 121.97 3mnu s VAL 207 Ca 0.14 -0.38 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 3mnu s VAL 207 Cb 0.12 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.85 3mnu s VAL 207 CO 0.01 0.55 0.22 -0.89 0.00 0.00 0.00 175.10 174.99 3mnu s THR 208 N -0.23 4.91 0.02 3.92 2.01 -0.08 0.11 115.64 126.30 3mnu s THR 208 Ca 0.04 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.29 3mnu s THR 208 Cb -0.13 -3.63 -0.06 0.00 0.01 0.00 0.00 72.50 68.70 3mnu s THR 208 CO 0.02 -0.12 0.62 0.26 -0.69 0.00 0.00 174.62 174.71 3mnu s TRP 209 N 1.64 3.71 -0.27 4.92 0.52 -0.27 -2.40 118.94 126.79 3mnu s TRP 209 Ca 0.04 1.25 0.00 0.00 0.02 0.00 0.00 56.10 57.42 3mnu s TRP 209 Cb -0.18 -2.63 0.08 0.00 -1.15 0.00 0.00 33.47 29.59 3mnu s TRP 209 CO 0.08 0.37 0.02 0.42 0.02 0.00 0.00 176.95 177.87 3mnu s ILE 210 N -0.31 1.30 -0.26 2.03 1.01 -0.64 -2.42 121.20 121.90 3mnu s ILE 210 Ca 0.32 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 3mnu s ILE 210 Cb -0.19 -1.78 -0.00 0.00 0.01 0.00 0.00 42.46 40.50 3mnu s ILE 210 CO 0.18 -0.37 0.04 -0.69 0.00 0.00 0.00 174.94 174.10 3mnu s VAL 211 N 1.46 3.83 0.34 2.92 1.01 -0.15 -0.01 120.40 129.79 3mnu s VAL 211 Ca 0.02 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 3mnu s VAL 211 Cb -0.18 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 3mnu s VAL 211 CO -0.13 0.23 1.22 -0.76 0.00 0.00 0.00 175.10 175.67 3mnu s LEU 212 N 1.51 4.37 0.08 3.92 1.43 -0.31 -0.87 118.68 128.82 3mnu s LEU 212 Ca 0.04 2.49 -0.14 0.00 -1.03 0.00 0.00 54.13 55.50 3mnu s LEU 212 Cb -0.16 -3.77 -0.19 0.00 0.03 0.00 0.00 46.19 42.11 3mnu s LEU 212 CO 0.01 -0.51 1.26 0.50 0.23 0.00 0.00 176.35 177.83 3mnu h LYS 213 N 3.21 0.74 -5.93 1.70 3.64 -1.52 -3.42 116.57 114.99 3mnu h LYS 213 Ca -0.48 -0.66 -0.58 0.00 -1.27 0.00 0.00 60.65 57.65 3mnu h LYS 213 Cb 1.23 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 33.13 3mnu h LYS 213 CO 0.65 1.26 0.54 -2.00 -2.27 0.00 0.00 179.45 177.62 3mnu s GLU 214 N -3.59 4.25 0.62 1.90 2.12 -1.26 -5.00 118.70 117.73 3mnu s GLU 214 Ca -0.10 1.09 -0.08 0.00 0.36 0.00 0.00 54.97 56.24 3mnu s GLU 214 Cb 0.08 -3.62 0.01 0.00 0.26 0.00 0.00 34.13 30.85 3mnu s GLU 214 CO 0.90 -0.48 0.96 -1.25 -0.54 0.00 0.00 175.26 174.84 3mnu s PRO 215 N 2.69 2.94 0.11 4.30 0.04 -1.26 -4.67 135.00 139.16 3mnu s PRO 215 Ca 0.39 0.15 0.02 0.00 0.04 0.00 0.00 61.00 61.61 3mnu s PRO 215 Cb -0.16 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 3mnu s PRO 215 CO 0.09 -0.77 0.18 0.96 0.04 0.00 0.00 177.00 177.50 3mnu s ILE 216 N -3.09 4.97 -0.10 0.56 -4.36 -0.03 -4.89 121.20 114.25 3mnu s ILE 216 Ca 0.55 -0.70 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 3mnu s ILE 216 Cb -0.11 -3.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.09 3mnu s ILE 216 CO 0.47 0.03 0.21 -0.44 0.24 0.00 0.00 174.94 175.45 3mnu s SER 217 N -2.78 6.47 0.09 4.36 0.01 -1.26 -1.56 113.70 119.03 3mnu s SER 217 Ca 0.33 0.56 0.04 0.00 1.31 0.00 0.00 55.95 58.19 3mnu s SER 217 Cb -0.12 -2.12 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 3mnu s SER 217 CO 0.26 0.36 -0.12 0.68 0.41 0.00 0.00 173.24 174.82 3mnu s VAL 218 N -0.84 1.04 0.63 3.43 -7.23 -0.26 -3.32 120.40 113.84 3mnu s VAL 218 Ca 0.16 -1.51 -0.11 0.00 -1.81 0.00 0.00 61.98 58.71 3mnu s VAL 218 Cb -0.13 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 3mnu s VAL 218 CO 0.06 -0.42 1.04 -0.94 -0.31 0.00 0.00 175.10 174.52 3mnu s SER 219 N -2.17 6.10 0.30 4.85 1.04 -1.13 -0.20 113.70 122.48 3mnu s SER 219 Ca 0.03 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 57.89 3mnu s SER 219 Cb -0.06 -2.46 0.46 0.00 0.10 0.00 0.00 66.02 64.05 3mnu s SER 219 CO 0.01 -0.96 1.95 -1.28 0.98 0.00 0.00 173.24 173.94 3mnu h SER 220 N -0.38 0.90 -0.82 7.02 0.87 -1.93 -2.14 113.55 117.06 3mnu h SER 220 Ca -0.44 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.04 3mnu h SER 220 Cb 1.19 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.89 3mnu h SER 220 CO 0.61 0.68 0.38 -0.33 -0.53 0.00 0.00 176.83 177.65 3mnu h GLU 221 N 1.04 1.20 -0.18 2.24 3.07 -1.94 -0.27 114.58 119.73 3mnu h GLU 221 Ca 0.27 -0.18 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 3mnu h GLU 221 Cb -0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 3mnu h GLU 221 CO -0.05 0.93 -0.01 1.96 -1.40 0.00 0.00 179.01 180.44 3mnu h GLN 222 N 1.18 0.32 0.00 2.33 4.20 -1.77 -2.83 115.11 118.54 3mnu h GLN 222 Ca 0.28 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 3mnu h GLN 222 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3mnu h GLN 222 CO -0.03 0.55 -0.44 -0.24 -0.67 0.00 0.00 178.83 178.00 3mnu h VAL 223 N 0.06 1.12 -0.43 -0.54 3.04 -1.35 -2.68 116.25 115.48 3mnu h VAL 223 Ca 0.05 -1.61 -0.03 0.00 -1.01 0.00 0.00 66.70 64.10 3mnu h VAL 223 Cb 0.41 1.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 3mnu h VAL 223 CO 0.01 0.43 0.12 -0.07 -1.01 0.00 0.00 177.57 177.05 3mnu h LEU 224 N 0.00 0.57 -0.89 3.16 3.38 -0.92 -1.64 115.31 118.97 3mnu h LEU 224 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3mnu h LEU 224 Cb 0.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3mnu h LEU 224 CO 0.06 0.56 -0.46 0.11 0.09 0.00 0.00 178.44 178.80 3mnu h LYS 225 N 0.61 0.00 -0.63 1.13 1.57 -1.23 -2.51 116.57 115.51 3mnu h LYS 225 Ca 0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3mnu h LYS 225 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 3mnu h LYS 225 CO -0.01 0.46 0.33 0.74 -0.57 0.00 0.00 179.45 180.40 3mnu h PHE 226 N 0.00 0.89 0.00 -1.35 -1.00 -1.21 -2.35 116.94 111.92 3mnu h PHE 226 Ca -0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3mnu h PHE 226 Cb 0.96 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.24 3mnu h PHE 226 CO 0.00 0.65 0.00 0.54 -1.61 0.00 0.00 178.31 177.89 3mnu n ARG 227 N -4.53 0.36 0.02 1.51 1.74 -0.95 -2.42 116.66 112.38 3mnu n ARG 227 Ca 0.05 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 3mnu n ARG 227 Cb 0.10 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.23 3mnu n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mnu n LYS 228 N -1.16 0.10 -1.07 5.56 5.02 -0.88 -4.42 118.16 121.31 3mnu n LYS 228 Ca 0.10 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 56.10 3mnu n LYS 228 Cb 0.10 -1.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.69 3mnu n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mnu s LEU 229 N -3.39 2.48 0.09 -0.35 1.43 -1.02 -4.84 118.68 113.08 3mnu s LEU 229 Ca 0.09 1.73 0.10 0.00 -1.03 0.00 0.00 54.13 55.01 3mnu s LEU 229 Cb 0.16 -4.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.17 3mnu s LEU 229 CO 0.72 -2.68 -0.24 0.20 0.23 0.00 0.00 176.35 174.58 3mnu s ASN 230 N -3.19 3.44 0.03 2.29 0.02 0.91 0.11 114.94 118.56 3mnu s ASN 230 Ca 0.64 -0.62 -0.00 0.00 -1.02 0.00 0.00 52.86 51.86 3mnu s ASN 230 Cb -0.19 -0.36 -0.26 0.00 0.02 0.00 0.00 41.25 40.46 3mnu s ASN 230 CO 0.58 0.22 0.97 -0.26 0.02 0.00 0.00 177.10 178.62 3mnu h PHE 231 N 4.24 0.35 -4.35 2.20 0.05 -1.34 -3.36 116.94 114.74 3mnu h PHE 231 Ca -0.49 -0.26 -0.49 0.00 3.82 0.00 0.00 57.97 60.56 3mnu h PHE 231 Cb 1.16 -0.01 0.10 0.00 2.00 0.00 0.00 35.95 39.20 3mnu h PHE 231 CO 0.55 1.27 0.36 0.54 -0.18 0.00 0.00 178.31 180.85 3mnu s ASN 232 N -6.90 4.79 0.58 2.17 4.22 -1.26 -4.37 114.94 114.17 3mnu s ASN 232 Ca -0.06 1.27 -0.02 0.00 -2.14 0.00 0.00 52.86 51.91 3mnu s ASN 232 Cb 0.07 -2.02 0.03 0.00 1.28 0.00 0.00 41.25 40.61 3mnu s ASN 232 CO 0.85 -1.78 0.84 -0.83 -2.04 0.00 0.00 177.10 174.14 3mnu s GLY 233 N -4.03 1.71 0.45 0.45 0.00 -1.26 -0.66 107.32 103.99 3mnu s GLY 233 Ca 0.60 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.99 3mnu s GLY 233 CO 0.54 -0.79 1.34 -2.21 0.00 0.00 0.00 173.10 171.98 3mnu n GLU 234 N -2.49 2.01 -1.03 2.90 2.13 -1.26 -2.51 120.64 120.40 3mnu n GLU 234 Ca 0.06 0.72 -0.01 0.00 0.66 0.00 0.00 57.16 58.59 3mnu n GLU 234 Cb 0.59 -2.51 -0.00 0.00 0.27 0.00 0.00 31.44 29.79 3mnu n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mnu n GLY 235 N 0.72 0.49 3.51 8.31 0.00 -1.26 -5.03 105.19 111.93 3mnu n GLY 235 Ca 0.07 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3mnu n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mnu s GLU 236 N -0.94 1.82 0.20 1.61 2.02 -1.04 -5.08 118.70 117.27 3mnu s GLU 236 Ca 0.00 -1.71 -0.33 0.00 0.02 0.00 0.00 54.97 52.95 3mnu s GLU 236 Cb 0.00 -1.84 -0.14 0.00 0.10 0.00 0.00 34.13 32.24 3mnu s GLU 236 CO 0.00 0.32 1.42 -2.30 0.02 0.00 0.00 175.26 174.72 3mnu n PRO 237 N -0.69 1.90 -2.30 0.39 -0.02 -1.26 -4.86 135.00 128.15 3mnu n PRO 237 Ca -0.05 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 3mnu n PRO 237 Cb 0.60 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.71 3mnu n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mnu s GLU 238 N 0.03 4.28 -0.26 -0.52 2.12 -1.26 -4.76 118.70 118.33 3mnu s GLU 238 Ca 0.73 1.85 0.01 0.00 0.36 0.00 0.00 54.97 57.92 3mnu s GLU 238 Cb -0.70 -3.64 0.07 0.00 0.26 0.00 0.00 34.13 30.12 3mnu s GLU 238 CO 0.46 -0.59 -0.02 -1.21 -0.54 0.00 0.00 175.26 173.37 3mnu s GLU 239 N 2.68 1.45 0.33 4.30 2.02 -1.26 -5.06 118.70 123.15 3mnu s GLU 239 Ca 0.61 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 3mnu s GLU 239 Cb -0.28 -2.57 -0.12 0.00 0.10 0.00 0.00 34.13 31.26 3mnu s GLU 239 CO 0.23 -0.70 1.37 1.28 0.02 0.00 0.00 175.26 177.47 3mnu n LEU 240 N 4.65 3.80 -4.54 1.80 4.77 -1.26 -1.05 117.00 125.18 3mnu n LEU 240 Ca -0.08 1.20 -0.42 0.00 -0.03 0.00 0.00 56.01 56.68 3mnu n LEU 240 Cb 0.44 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 3mnu n LEU 240 CO 0.17 -0.30 1.41 -0.32 -1.33 0.00 0.00 177.39 177.02 3mnu s MET 241 N -1.59 3.61 0.04 3.23 -2.45 0.12 -4.59 119.30 117.67 3mnu s MET 241 Ca 0.58 -1.30 -0.00 0.00 -1.25 0.00 0.00 55.69 53.71 3mnu s MET 241 Cb -0.55 -5.28 -0.03 0.00 1.25 0.00 0.00 34.83 30.21 3mnu s MET 241 CO 0.60 -2.12 -0.03 0.14 1.05 0.00 0.00 175.02 174.65 3mnu s VAL 242 N 4.47 0.21 -1.36 10.11 -7.23 -1.26 -4.47 120.40 120.87 3mnu s VAL 242 Ca 0.44 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 59.05 3mnu s VAL 242 Cb -0.01 -1.10 0.03 0.00 0.56 0.00 0.00 36.38 35.86 3mnu s VAL 242 CO -0.09 -0.82 0.93 0.47 -0.31 0.00 0.00 175.10 175.28 3mnu n ASP 243 N 0.62 -3.31 -2.80 4.85 10.43 0.44 -4.83 116.55 121.94 3mnu n ASP 243 Ca -0.17 -0.72 -0.33 0.00 2.57 0.00 0.00 54.79 56.13 3mnu n ASP 243 Cb 0.59 -4.39 -0.02 0.00 1.84 0.00 0.00 41.12 39.14 3mnu n ASP 243 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 3mnu n ASN 244 N -3.00 7.03 -4.27 -2.24 6.94 -1.06 -4.92 115.26 113.75 3mnu n ASN 244 Ca -0.15 -3.44 -0.25 0.00 -0.02 0.00 0.00 54.58 50.72 3mnu n ASN 244 Cb 0.61 -1.19 -0.13 0.00 -2.36 0.00 0.00 39.78 36.71 3mnu n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3mnu s TRP 245 N -2.62 1.81 -0.09 -2.53 1.48 -1.26 -4.58 118.94 111.14 3mnu s TRP 245 Ca 0.55 -0.39 -0.12 0.00 -1.06 0.00 0.00 56.10 55.08 3mnu s TRP 245 Cb 0.37 -1.04 -0.05 0.00 -1.16 0.00 0.00 33.47 31.59 3mnu s TRP 245 CO -0.27 0.14 0.29 0.50 -4.06 0.00 0.00 176.95 173.55 3mnu s ARG 246 N -1.48 3.87 0.90 3.25 3.52 -1.26 -4.97 118.95 122.78 3mnu s ARG 246 Ca 0.07 0.14 -0.12 0.00 -0.13 0.00 0.00 55.73 55.69 3mnu s ARG 246 Cb -0.09 -3.28 0.13 0.00 -1.56 0.00 0.00 34.95 30.15 3mnu s ARG 246 CO 0.03 0.58 1.10 -1.25 -0.81 0.00 0.00 175.30 174.95 3mnu s PRO 247 N -0.57 1.26 0.33 5.12 0.04 -1.26 -4.61 135.00 135.31 3mnu s PRO 247 Ca 0.19 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 3mnu s PRO 247 Cb -0.14 -1.83 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 3mnu s PRO 247 CO 0.07 -2.18 1.45 0.00 0.04 0.00 0.00 177.00 176.38 3mnu n ALA 248 N -3.81 1.95 -2.62 8.56 0.00 -1.26 -4.35 120.51 118.98 3mnu n ALA 248 Ca 0.06 0.36 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 3mnu n ALA 248 Cb 0.57 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3mnu n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mnu s GLN 249 N -1.39 2.66 0.20 0.00 -1.52 0.85 -4.94 119.66 115.53 3mnu s GLN 249 Ca 0.59 -1.29 -0.33 0.00 -1.95 0.00 0.00 55.36 52.39 3mnu s GLN 249 Cb -0.53 -2.41 -0.13 0.00 -0.22 0.00 0.00 33.01 29.72 3mnu s GLN 249 CO 0.57 0.22 1.60 -2.30 -0.25 0.00 0.00 175.29 175.14 3mnu n PRO 250 N -1.21 2.38 0.01 2.91 -0.02 -1.26 -4.56 135.00 133.25 3mnu n PRO 250 Ca -0.04 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.20 3mnu n PRO 250 Cb 0.59 -2.64 0.07 0.00 -0.02 0.00 0.00 33.50 31.51 3mnu n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mnu h LEU 251 N 5.84 0.57 0.00 2.45 5.85 -1.95 -3.43 115.31 124.65 3mnu h LEU 251 Ca -0.45 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 57.97 3mnu h LEU 251 Cb 1.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3mnu h LEU 251 CO 0.88 1.00 0.00 0.29 -0.34 0.00 0.00 178.44 180.27 3mnu n LYS 252 N -3.96 0.00 -3.23 1.25 5.02 -1.26 -3.41 118.16 112.57 3mnu n LYS 252 Ca -0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 3mnu n LYS 252 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 3mnu n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mnu n ASN 253 N 2.37 5.80 -3.97 4.39 4.05 -1.26 -4.92 115.26 121.72 3mnu n ASN 253 Ca 0.00 -3.15 -0.09 0.00 0.45 0.00 0.00 54.58 51.79 3mnu n ASN 253 Cb 0.00 -1.35 -0.11 0.00 1.23 0.00 0.00 39.78 39.56 3mnu n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3mnu s ARG 254 N -1.73 0.40 -0.03 1.20 0.52 -1.22 -5.10 118.95 112.98 3mnu s ARG 254 Ca 0.31 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 3mnu s ARG 254 Cb -0.05 0.15 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3mnu s ARG 254 CO -0.02 -0.08 -0.21 -0.65 0.02 0.00 0.00 175.30 174.36 3mnu s GLN 255 N -1.85 1.93 -0.22 3.54 -0.21 -1.26 -5.04 119.66 116.55 3mnu s GLN 255 Ca -0.12 -0.74 -0.16 0.00 0.02 0.00 0.00 55.36 54.35 3mnu s GLN 255 Cb -0.07 -1.74 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 3mnu s GLN 255 CO -0.02 0.37 0.43 0.42 -2.12 0.00 0.00 175.29 174.37 3mnu s ILE 256 N -0.24 5.16 -0.03 1.08 1.01 -1.26 -4.72 121.20 122.20 3mnu s ILE 256 Ca 0.01 0.75 -0.05 0.00 0.00 0.00 0.00 60.65 61.37 3mnu s ILE 256 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3mnu s ILE 256 CO 0.01 0.21 0.21 -0.54 0.00 0.00 0.00 174.94 174.82 3mnu s LYS 257 N 1.58 3.50 0.01 2.79 -0.14 -0.53 -2.23 119.74 124.73 3mnu s LYS 257 Ca 0.20 -0.18 0.02 0.00 -1.36 0.00 0.00 55.97 54.64 3mnu s LYS 257 Cb -0.15 -3.11 -0.04 0.00 -1.68 0.00 0.00 37.83 32.85 3mnu s LYS 257 CO 0.09 0.69 0.01 0.00 -0.76 0.00 0.00 175.35 175.37 3mnu s ALA 258 N -1.25 3.30 -2.35 5.17 0.00 0.23 -0.51 121.76 126.36 3mnu s ALA 258 Ca 0.25 -0.97 0.26 0.00 0.00 0.00 0.00 51.96 51.50 3mnu s ALA 258 Cb -0.13 -1.33 0.71 0.00 0.00 0.00 0.00 23.12 22.37 3mnu s ALA 258 CO 0.14 0.66 1.54 -1.13 0.00 0.00 0.00 175.76 176.98 3mnu n SER 259 N 1.25 1.70 -4.05 0.00 3.41 -0.36 -0.83 113.62 114.75 3mnu n SER 259 Ca -0.14 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.79 3mnu n SER 259 Cb 0.53 0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 3mnu n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mnu s PHE 260 N -2.18 1.77 0.00 7.33 -0.71 -1.26 -4.90 117.98 118.03 3mnu s PHE 260 Ca 0.31 -1.32 0.00 0.00 -1.04 0.00 0.00 56.93 54.88 3mnu s PHE 260 Cb 0.20 -1.10 0.00 0.00 -1.21 0.00 0.00 43.02 40.91 3mnu s PHE 260 CO 0.40 -0.36 0.00 1.63 -1.34 0.00 0.00 175.22 175.55