#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjo n GLU 2 N 0.00 0.99 -2.74 0.00 0.28 -1.26 -5.11 120.64 112.80 1mjo n GLU 2 Ca 0.00 -2.83 -0.41 0.00 -0.16 0.00 0.00 57.16 53.76 1mjo n GLU 2 Cb 0.00 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.38 1mjo n GLU 2 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 177.13 176.51 1mjo s TRP 3 N -1.40 3.72 0.44 -1.84 -0.00 -1.26 -4.94 118.94 113.66 1mjo s TRP 3 Ca 0.33 1.72 0.13 0.00 -0.00 0.00 0.00 56.10 58.28 1mjo s TRP 3 Cb 0.33 -3.07 0.99 0.00 -0.00 0.00 0.00 33.47 31.71 1mjo s TRP 3 CO -0.07 0.09 2.01 0.66 -0.00 0.00 0.00 176.95 179.64 1mjo h SER 4 N 6.29 0.09 0.00 5.86 4.64 -1.96 -3.46 113.55 125.01 1mjo h SER 4 Ca -0.42 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1mjo h SER 4 Cb 1.22 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1mjo h SER 4 CO 0.74 0.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 1mjo n GLY 5 N -1.11 0.28 3.00 -0.77 0.00 -1.26 -4.99 105.19 100.33 1mjo n GLY 5 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1mjo n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1mjo n GLU 6 N -2.00 3.28 -1.58 1.61 1.02 -1.26 -4.83 120.64 116.88 1mjo n GLU 6 Ca 0.00 -3.24 -0.51 0.00 -0.02 0.00 0.00 57.16 53.39 1mjo n GLU 6 Cb 0.00 -3.13 -0.05 0.00 -0.02 0.00 0.00 31.44 28.23 1mjo n GLU 6 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1mjo n TYR 7 N 5.43 1.39 -4.86 -0.32 9.36 -1.26 -4.99 117.16 121.91 1mjo n TYR 7 Ca 0.45 0.67 -0.33 0.00 3.32 0.00 0.00 57.90 62.01 1mjo n TYR 7 Cb 0.39 -2.30 -0.16 0.00 -0.63 0.00 0.00 39.34 36.64 1mjo n TYR 7 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1mjo s ILE 8 N 0.22 2.44 -0.03 2.97 1.01 -1.26 -4.81 121.20 121.75 1mjo s ILE 8 Ca 0.81 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 1mjo s ILE 8 Cb -0.93 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1mjo s ILE 8 CO 0.49 0.54 1.22 -0.55 0.00 0.00 0.00 174.94 176.64 1mjo s SER 9 N 0.53 7.03 0.00 3.58 0.15 -1.26 -4.90 113.70 118.83 1mjo s SER 9 Ca -0.12 1.89 0.29 0.00 0.70 0.00 0.00 55.95 58.71 1mjo s SER 9 Cb -0.16 -2.56 1.73 0.00 -1.71 0.00 0.00 66.02 63.31 1mjo s SER 9 CO 0.04 -0.58 2.10 -0.81 1.20 0.00 0.00 173.24 175.20 1mjo n PRO 10 N 4.99 0.98 -4.18 5.44 -0.04 -1.26 -4.86 135.00 136.08 1mjo n PRO 10 Ca 0.11 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.33 1mjo n PRO 10 Cb 0.46 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1mjo n PRO 10 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1mjo s TYR 11 N -2.00 2.64 0.14 0.54 2.02 -1.26 -4.72 117.35 114.71 1mjo s TYR 11 Ca 0.44 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.74 1mjo s TYR 11 Cb 0.20 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 40.07 1mjo s TYR 11 CO 0.34 0.35 0.13 0.00 -1.57 0.00 0.00 175.55 174.80 1mjo s ALA 12 N -2.48 3.61 0.17 3.71 0.00 -1.26 -5.07 121.76 120.43 1mjo s ALA 12 Ca 0.37 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1mjo s ALA 12 Cb -0.01 -1.43 -0.10 0.00 0.00 0.00 0.00 23.12 21.59 1mjo s ALA 12 CO 0.22 0.59 1.52 -1.21 0.00 0.00 0.00 175.76 176.88 1mjo s GLU 13 N -2.89 4.24 0.60 0.00 0.41 -1.26 -4.88 118.70 114.92 1mjo s GLU 13 Ca 0.31 2.31 -0.19 0.00 -0.41 0.00 0.00 54.97 56.98 1mjo s GLU 13 Cb -0.11 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.05 1mjo s GLU 13 CO 0.23 -0.56 1.26 -1.58 -0.49 0.00 0.00 175.26 174.13 1mjo s HIS 14 N 1.00 2.28 0.00 1.61 2.46 -1.26 -1.49 115.29 119.89 1mjo s HIS 14 Ca 0.68 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.69 1mjo s HIS 14 Cb -0.42 -3.61 0.00 0.00 -0.13 0.00 0.00 32.58 28.41 1mjo s HIS 14 CO 0.32 -2.56 0.00 0.41 -2.47 0.00 0.00 174.74 170.45 1mjo n GLY 15 N 0.69 2.74 0.61 1.59 0.00 -1.26 -4.61 105.19 104.94 1mjo n GLY 15 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1mjo n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mjo n LYS 16 N -1.26 2.54 0.12 1.61 5.02 -0.55 -4.56 118.16 121.08 1mjo n LYS 16 Ca 0.00 -2.59 -0.03 0.00 -2.02 0.00 0.00 58.31 53.67 1mjo n LYS 16 Cb 0.00 -1.63 0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1mjo n LYS 16 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1mjo h LYS 17 N 1.31 0.04 0.00 1.97 1.57 -1.65 -0.61 116.57 119.20 1mjo h LYS 17 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1mjo h LYS 17 Cb 1.19 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1mjo h LYS 17 CO 0.13 0.69 -0.13 0.66 -0.57 0.00 0.00 179.45 180.23 1mjo h SER 18 N 0.03 0.00 0.00 0.86 4.64 -1.87 0.33 113.55 117.54 1mjo h SER 18 Ca -0.01 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.97 1mjo h SER 18 Cb 1.18 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 1mjo h SER 18 CO 0.09 0.13 -2.29 -0.62 -0.87 0.00 0.00 176.83 173.27 1mjo n GLU 19 N -3.89 0.89 0.02 4.77 1.02 -1.13 -4.56 120.64 117.75 1mjo n GLU 19 Ca -0.02 0.02 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 1mjo n GLU 19 Cb 0.23 -1.48 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 1mjo n GLU 19 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1mjo n GLN 20 N -2.80 0.27 -4.12 3.49 6.02 -0.25 -4.91 117.38 115.08 1mjo n GLN 20 Ca -0.33 -0.02 -0.34 0.00 -0.01 0.00 0.00 57.00 56.30 1mjo n GLN 20 Cb 1.07 -1.57 -0.10 0.00 1.02 0.00 0.00 30.24 30.66 1mjo n GLN 20 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mjo s VAL 21 N -3.19 4.51 0.29 5.09 1.01 0.12 -5.00 120.40 123.23 1mjo s VAL 21 Ca 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1mjo s VAL 21 Cb 0.15 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 1mjo s VAL 21 CO 0.82 0.47 0.08 -0.54 0.00 0.00 0.00 175.10 175.93 1mjo s LYS 22 N 0.37 2.43 -0.11 2.72 3.01 -1.26 -4.80 119.74 122.11 1mjo s LYS 22 Ca 0.01 -1.39 -0.02 0.00 -1.01 0.00 0.00 55.97 53.56 1mjo s LYS 22 Cb -0.13 -2.24 -0.03 0.00 -1.01 0.00 0.00 37.83 34.42 1mjo s LYS 22 CO 0.01 0.29 -0.03 0.15 0.51 0.00 0.00 175.35 176.28 1mjo s LYS 23 N -3.76 3.19 0.04 1.68 -0.14 -1.26 -5.11 119.74 114.38 1mjo s LYS 23 Ca 0.34 -0.49 0.04 0.00 -1.36 0.00 0.00 55.97 54.49 1mjo s LYS 23 Cb -0.05 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.29 1mjo s LYS 23 CO 0.22 0.51 -0.11 0.96 -0.76 0.00 0.00 175.35 176.17 1mjo s ILE 24 N -0.38 0.83 -0.32 2.17 -4.36 -1.26 -5.12 121.20 112.77 1mjo s ILE 24 Ca 0.06 -1.01 -0.15 0.00 -0.26 0.00 0.00 60.65 59.29 1mjo s ILE 24 Cb -0.12 -0.81 -0.02 0.00 1.25 0.00 0.00 42.46 42.76 1mjo s ILE 24 CO 0.02 -0.17 0.37 -0.89 0.24 0.00 0.00 174.94 174.51 1mjo s THR 25 N -1.06 5.16 -0.16 8.37 2.01 -1.26 -5.06 115.64 123.65 1mjo s THR 25 Ca -0.03 0.22 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 1mjo s THR 25 Cb -0.08 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1mjo s THR 25 CO 0.01 -0.02 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.19 1mjo s VAL 26 N 2.05 3.81 -0.23 3.82 1.01 -1.26 -5.08 120.40 124.52 1mjo s VAL 26 Ca 0.13 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1mjo s VAL 26 Cb -0.16 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1mjo s VAL 26 CO 0.11 0.49 0.62 -0.44 0.00 0.00 0.00 175.10 175.88 1mjo s SER 27 N 0.47 6.62 -0.05 3.32 0.01 -1.26 -5.05 113.70 117.76 1mjo s SER 27 Ca -0.04 0.76 0.01 0.00 1.31 0.00 0.00 55.95 57.98 1mjo s SER 27 Cb -0.14 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.77 1mjo s SER 27 CO 0.03 -0.31 -0.04 -0.51 0.41 0.00 0.00 173.24 172.82 1mjo s ILE 28 N 2.18 0.50 0.44 1.44 2.07 -1.26 -5.12 121.20 121.45 1mjo s ILE 28 Ca 0.27 -0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.18 1mjo s ILE 28 Cb -0.16 -0.54 -0.09 0.00 0.13 0.00 0.00 42.46 41.80 1mjo s ILE 28 CO 0.09 0.22 1.25 -2.65 -1.91 0.00 0.00 174.94 171.95 1mjo n PRO 29 N 4.18 1.82 0.11 3.50 -0.02 -1.26 -4.72 135.00 138.61 1mjo n PRO 29 Ca -0.23 0.65 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1mjo n PRO 29 Cb 0.51 -2.37 0.61 0.00 -0.02 0.00 0.00 33.50 32.23 1mjo n PRO 29 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1mjo h LEU 30 N 1.90 0.10 -1.03 2.45 3.38 -2.00 0.36 115.31 120.47 1mjo h LEU 30 Ca -0.48 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1mjo h LEU 30 Cb 1.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1mjo h LEU 30 CO 0.59 0.06 -0.26 0.50 0.09 0.00 0.00 178.44 179.42 1mjo h LYS 31 N 0.11 0.37 0.15 1.13 3.64 -2.01 -1.35 116.57 118.61 1mjo h LYS 31 Ca 0.12 -0.14 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 1mjo h LYS 31 Cb 0.36 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1mjo h LYS 31 CO -0.01 0.61 -1.47 0.28 -2.27 0.00 0.00 179.45 176.59 1mjo h VAL 32 N 0.33 1.24 -0.16 2.00 2.07 -1.50 -3.23 116.25 116.99 1mjo h VAL 32 Ca 0.05 -2.83 -0.01 0.00 0.82 0.00 0.00 66.70 64.74 1mjo h VAL 32 Cb 0.64 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1mjo h VAL 32 CO 0.05 0.84 0.07 0.25 0.02 0.00 0.00 177.57 178.79 1mjo h LEU 33 N 0.08 0.20 -0.20 2.57 5.85 -0.74 -0.86 115.31 122.22 1mjo h LEU 33 Ca -0.23 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 1mjo h LEU 33 Cb 2.04 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 43.01 1mjo h LEU 33 CO 0.19 0.18 -0.24 0.50 -0.34 0.00 0.00 178.44 178.73 1mjo h LYS 34 N 0.23 0.51 -0.53 1.25 3.64 -1.30 -0.00 116.57 120.37 1mjo h LYS 34 Ca 0.06 -0.29 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1mjo h LYS 34 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1mjo h LYS 34 CO -0.01 0.88 0.18 0.82 -2.27 0.00 0.00 179.45 179.04 1mjo h ILE 35 N 0.18 1.23 0.42 2.00 2.04 -1.46 0.32 117.51 122.25 1mjo h ILE 35 Ca 0.03 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1mjo h ILE 35 Cb 0.80 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1mjo h ILE 35 CO 0.06 0.28 -0.20 0.25 0.00 0.00 0.00 178.15 178.54 1mjo h LEU 36 N 0.72 -0.48 -0.78 1.44 5.85 -1.14 -2.26 115.31 118.66 1mjo h LEU 36 Ca 0.17 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1mjo h LEU 36 Cb 0.26 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1mjo h LEU 36 CO -0.01 -0.27 0.51 0.74 -0.34 0.00 0.00 178.44 179.07 1mjo h THR 37 N -0.66 1.17 -0.85 1.05 2.02 -0.93 -1.87 112.91 112.84 1mjo h THR 37 Ca -0.06 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1mjo h THR 37 Cb 0.48 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1mjo h THR 37 CO 0.09 0.19 0.56 0.44 0.37 0.00 0.00 175.52 177.17 1mjo h ASP 38 N 1.03 0.98 0.05 4.18 3.32 -0.89 0.46 116.42 125.55 1mjo h ASP 38 Ca 0.30 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.21 1mjo h ASP 38 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1mjo h ASP 38 CO -0.08 0.72 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.72 1mjo h GLU 39 N 1.16 0.43 -0.28 3.56 4.57 -0.79 -0.85 114.58 122.38 1mjo h GLU 39 Ca 0.31 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1mjo h GLU 39 Cb -0.13 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.45 1mjo h GLU 39 CO -0.07 0.73 0.03 -0.09 -1.18 0.00 0.00 179.01 178.43 1mjo h ARG 40 N 0.36 0.47 -0.91 1.92 2.43 -0.52 -2.04 114.38 116.08 1mjo h ARG 40 Ca 0.04 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1mjo h ARG 40 Cb 0.80 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.24 1mjo h ARG 40 CO 0.06 0.60 0.58 1.15 -1.51 0.00 0.00 179.97 180.86 1mjo h THR 41 N 0.27 1.10 -0.77 0.20 2.02 -0.65 -0.11 112.91 114.97 1mjo h THR 41 Ca 0.08 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1mjo h THR 41 Cb 0.37 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.65 1mjo h THR 41 CO 0.01 0.20 0.51 -0.09 0.37 0.00 0.00 175.52 176.52 1mjo h ARG 42 N 1.10 1.00 -0.14 6.66 2.43 -0.84 -0.08 114.38 124.51 1mjo h ARG 42 Ca 0.38 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 1mjo h ARG 42 Cb 0.09 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1mjo h ARG 42 CO -0.15 0.66 0.04 0.00 -1.51 0.00 0.00 179.97 179.01 1mjo h ARG 43 N 1.03 0.22 0.13 0.20 3.08 -0.64 -2.80 114.38 115.60 1mjo h ARG 43 Ca 0.29 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1mjo h ARG 43 Cb -0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1mjo h ARG 43 CO -0.07 0.38 -0.37 -0.22 -1.07 0.00 0.00 179.97 178.62 1mjo h LYS 44 N 0.03 -0.59 0.00 0.04 3.11 -0.55 -0.91 116.57 117.71 1mjo h LYS 44 Ca 0.04 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1mjo h LYS 44 Cb 0.25 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1mjo h LYS 44 CO 0.00 -0.39 0.00 1.33 -2.81 0.00 0.00 179.45 177.58 1mjo n VAL 45 N -5.45 0.00 -0.46 2.00 0.24 -0.09 -2.45 118.33 112.13 1mjo n VAL 45 Ca -0.07 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.28 1mjo n VAL 45 Cb 0.36 -0.51 0.10 0.00 -1.47 0.00 0.00 33.84 32.32 1mjo n VAL 45 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1mjo n ASN 46 N -0.93 2.51 -2.96 -1.34 4.13 -0.93 -4.99 115.26 110.76 1mjo n ASN 46 Ca 0.17 -2.43 -0.21 0.00 1.68 0.00 0.00 54.58 53.78 1mjo n ASN 46 Cb 0.08 -0.23 0.01 0.00 -1.54 0.00 0.00 39.78 38.10 1mjo n ASN 46 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mjo n ASN 47 N -0.58 -5.17 -4.89 6.41 3.02 -0.96 -4.98 115.26 108.11 1mjo n ASN 47 Ca 0.09 -0.22 -0.30 0.00 -0.03 0.00 0.00 54.58 54.12 1mjo n ASN 47 Cb 0.47 -4.24 -0.04 0.00 -0.61 0.00 0.00 39.78 35.36 1mjo n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mjo s LEU 48 N -6.42 4.12 0.94 3.41 1.43 -0.39 -4.94 118.68 116.84 1mjo s LEU 48 Ca 0.25 0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 1mjo s LEU 48 Cb -0.12 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 42.67 1mjo s LEU 48 CO 0.31 -0.12 1.15 -0.13 0.23 0.00 0.00 176.35 177.79 1mjo s ARG 49 N -3.13 0.94 -1.46 1.70 0.52 -0.01 -4.21 118.95 113.30 1mjo s ARG 49 Ca 0.45 0.21 -0.12 0.00 -0.52 0.00 0.00 55.73 55.76 1mjo s ARG 49 Cb -0.11 -1.82 0.05 0.00 0.52 0.00 0.00 34.95 33.59 1mjo s ARG 49 CO 0.25 -2.32 1.06 0.72 0.02 0.00 0.00 175.30 175.04 1mjo n HIS 50 N -3.84 -2.53 -1.77 -0.53 8.25 -1.26 -4.88 115.22 108.66 1mjo n HIS 50 Ca 0.08 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 58.08 1mjo n HIS 50 Cb 0.59 -4.42 -0.01 0.00 1.12 0.00 0.00 29.99 27.27 1mjo n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mjo n ALA 51 N -4.80 6.75 -2.65 -1.41 0.00 -1.26 -4.61 120.51 112.53 1mjo n ALA 51 Ca 0.02 -3.90 -0.12 0.00 0.00 0.00 0.00 53.44 49.43 1mjo n ALA 51 Cb 0.54 -3.10 -0.11 0.00 0.00 0.00 0.00 19.45 16.79 1mjo n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1mjo s THR 52 N 0.69 0.61 0.21 0.00 -4.23 -1.26 -4.82 115.64 106.83 1mjo s THR 52 Ca 0.57 -1.35 -0.06 0.00 -1.18 0.00 0.00 61.69 59.67 1mjo s THR 52 Cb 0.17 -0.95 0.05 0.00 1.34 0.00 0.00 72.50 73.10 1mjo s THR 52 CO -0.07 -0.53 1.64 0.78 -0.54 0.00 0.00 174.62 175.91 1mjo h ASN 53 N 4.02 0.87 -0.40 3.99 4.21 -1.92 -2.65 115.58 123.70 1mjo h ASN 53 Ca -0.36 -0.28 0.02 0.00 1.21 0.00 0.00 56.30 56.89 1mjo h ASN 53 Cb 1.19 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 38.13 1mjo h ASN 53 CO 0.48 1.01 0.22 0.28 -1.29 0.00 0.00 177.43 178.14 1mjo h SER 54 N 0.78 0.36 -0.57 5.81 0.02 -1.96 -2.19 113.55 115.79 1mjo h SER 54 Ca 0.12 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1mjo h SER 54 Cb 0.66 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1mjo h SER 54 CO 0.05 0.26 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.66 1mjo h GLU 55 N 0.46 1.03 -0.59 3.45 5.08 -1.85 -1.40 114.58 120.76 1mjo h GLU 55 Ca 0.16 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1mjo h GLU 55 Cb 0.02 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1mjo h GLU 55 CO -0.08 1.01 0.31 -0.07 -1.00 0.00 0.00 179.01 179.17 1mjo h LEU 56 N 0.94 0.73 -0.16 1.33 3.38 -1.25 -0.68 115.31 119.60 1mjo h LEU 56 Ca 0.17 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.85 1mjo h LEU 56 Cb 0.55 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.13 1mjo h LEU 56 CO 0.03 0.60 -0.85 -0.07 0.09 0.00 0.00 178.44 178.25 1mjo h LEU 57 N 0.82 0.84 -0.46 1.67 3.38 -1.06 -2.27 115.31 118.24 1mjo h LEU 57 Ca 0.21 -0.58 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1mjo h LEU 57 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1mjo h LEU 57 CO -0.03 1.38 -0.11 0.00 0.09 0.00 0.00 178.44 179.77 1mjo h GLU 59 N 0.72 0.57 -0.45 0.00 5.08 -1.17 -2.75 114.58 116.57 1mjo h GLU 59 Ca 0.12 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1mjo h GLU 59 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1mjo h GLU 59 CO 0.04 0.56 0.03 0.00 -1.00 0.00 0.00 179.01 178.64 1mjo h ALA 60 N 0.98 1.22 -0.21 3.43 0.00 -1.32 -2.04 119.26 121.33 1mjo h ALA 60 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1mjo h ALA 60 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mjo h ALA 60 CO -0.01 0.52 -0.13 0.35 0.00 0.00 0.00 179.25 179.99 1mjo h PHE 61 N 0.67 0.53 -0.10 0.00 3.57 -1.17 -1.48 116.94 118.96 1mjo h PHE 61 Ca 0.14 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1mjo h PHE 61 Cb 0.37 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1mjo h PHE 61 CO 0.02 0.76 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.52 1mjo h LEU 62 N 0.14 0.18 -0.43 0.59 3.38 -1.43 0.20 115.31 117.93 1mjo h LEU 62 Ca 0.04 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1mjo h LEU 62 Cb 0.63 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1mjo h LEU 62 CO 0.04 0.44 -0.14 -0.74 0.09 0.00 0.00 178.44 178.13 1mjo h HIS 63 N 0.16 0.98 -0.18 1.13 2.76 -1.25 -0.02 115.15 118.73 1mjo h HIS 63 Ca 0.03 -0.22 -0.14 0.00 -2.20 0.00 0.00 60.37 57.83 1mjo h HIS 63 Cb 0.56 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1mjo h HIS 63 CO 0.01 0.98 -0.44 0.00 -1.30 0.00 0.00 177.93 177.18 1mjo h ALA 64 N 0.85 0.30 -0.04 5.26 0.00 -0.81 0.32 119.26 125.14 1mjo h ALA 64 Ca 0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1mjo h ALA 64 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1mjo h ALA 64 CO 0.05 0.43 -0.09 0.35 0.00 0.00 0.00 179.25 179.99 1mjo h PHE 65 N 0.29 0.17 0.00 0.00 3.57 -0.59 -3.37 116.94 117.01 1mjo h PHE 65 Ca -0.00 -0.06 -0.20 0.00 3.53 0.00 0.00 57.97 61.23 1mjo h PHE 65 Cb 1.05 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1mjo h PHE 65 CO 0.09 0.69 -1.95 0.25 -2.23 0.00 0.00 178.31 175.17 1mjo n THR 66 N -4.68 0.95 -0.40 4.41 -2.24 -0.03 -4.99 114.28 107.30 1mjo n THR 66 Ca -0.08 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1mjo n THR 66 Cb 0.35 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1mjo n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mjo n GLY 67 N 1.50 0.73 3.76 3.38 0.00 0.10 -4.57 105.19 110.09 1mjo n GLY 67 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1mjo n GLY 67 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1mjo s GLN 68 N -0.60 4.35 0.62 1.61 -2.07 -1.25 -4.77 119.66 117.56 1mjo s GLN 68 Ca 0.00 2.19 -0.18 0.00 -1.82 0.00 0.00 55.36 55.55 1mjo s GLN 68 Cb 0.00 -3.11 -0.05 0.00 -1.09 0.00 0.00 33.01 28.76 1mjo s GLN 68 CO 0.00 -0.23 0.75 -0.35 -1.32 0.00 0.00 175.29 174.14 1mjo n PRO 69 N 1.46 0.64 -2.95 9.60 -0.04 -1.26 -4.38 135.00 138.07 1mjo n PRO 69 Ca 0.02 0.25 -0.26 0.00 -0.04 0.00 0.00 63.50 63.48 1mjo n PRO 69 Cb 0.42 -1.97 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 1mjo n PRO 69 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1mjo s LEU 70 N -0.97 3.80 0.15 1.53 1.43 -1.26 -4.88 118.68 118.48 1mjo s LEU 70 Ca 0.72 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.28 1mjo s LEU 70 Cb -0.41 -3.67 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 1mjo s LEU 70 CO 0.51 -0.45 1.04 -2.16 0.23 0.00 0.00 176.35 175.52 1mjo s PRO 71 N -4.48 4.64 0.76 1.29 0.04 -1.26 -4.92 135.00 131.06 1mjo s PRO 71 Ca 0.45 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 1mjo s PRO 71 Cb -0.10 -3.32 0.13 0.00 0.04 0.00 0.00 34.50 31.25 1mjo s PRO 71 CO 0.40 0.14 1.05 0.16 0.04 0.00 0.00 177.00 178.79 1mjo s ASP 72 N -0.09 4.19 0.24 6.66 1.47 -1.26 -4.90 116.67 122.98 1mjo s ASP 72 Ca 0.48 -0.17 -0.07 0.00 1.18 0.00 0.00 52.55 53.98 1mjo s ASP 72 Cb -0.27 -0.19 0.27 0.00 -0.34 0.00 0.00 42.92 42.39 1mjo s ASP 72 CO 0.33 -1.98 1.88 0.44 0.68 0.00 0.00 175.17 176.52 1mjo h ASP 73 N -0.72 0.93 -0.90 2.11 3.32 -1.98 -1.85 116.42 117.33 1mjo h ASP 73 Ca -0.39 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.74 1mjo h ASP 73 Cb 1.27 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 40.54 1mjo h ASP 73 CO 0.42 0.64 0.56 0.00 -1.72 0.00 0.00 179.24 179.13 1mjo h ALA 74 N 1.36 1.27 0.00 3.45 0.00 -2.02 0.06 119.26 123.38 1mjo h ALA 74 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 1mjo h ALA 74 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1mjo h ALA 74 CO -0.12 0.26 -0.19 -0.44 0.00 0.00 0.00 179.25 178.76 1mjo h ASP 75 N 0.98 0.00 0.00 0.00 3.32 -1.71 -2.27 116.42 116.74 1mjo h ASP 75 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1mjo h ASP 75 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1mjo h ASP 75 CO -0.20 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 1mjo n LEU 76 N -4.13 0.48 -0.00 1.55 4.77 0.00 -2.82 117.00 116.86 1mjo n LEU 76 Ca -0.02 -0.24 0.03 0.00 -0.03 0.00 0.00 56.01 55.74 1mjo n LEU 76 Cb 0.27 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.07 1mjo n LEU 76 CO 0.35 0.12 -0.52 0.54 -1.33 0.00 0.00 177.39 176.55 1mjo n ARG 77 N -0.24 0.56 -2.79 3.23 1.74 -0.85 -0.83 116.66 117.48 1mjo n ARG 77 Ca 0.00 -0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.68 1mjo n ARG 77 Cb 0.12 -1.10 -0.07 0.00 -1.02 0.00 0.00 32.46 30.40 1mjo n ARG 77 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1mjo s LYS 78 N -2.30 4.40 0.74 5.56 1.02 -1.13 -5.01 119.74 123.01 1mjo s LYS 78 Ca -0.02 1.24 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 1mjo s LYS 78 Cb 0.03 -2.50 0.03 0.00 -0.52 0.00 0.00 37.83 34.88 1mjo s LYS 78 CO 0.22 0.11 1.10 -1.21 -0.92 0.00 0.00 175.35 174.65 1mjo s GLU 79 N -2.60 2.60 0.00 1.68 0.41 -1.26 -4.79 118.70 114.74 1mjo s GLU 79 Ca 0.56 0.52 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 1mjo s GLU 79 Cb -0.14 -1.99 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1mjo s GLU 79 CO 0.19 -1.23 0.77 0.54 -0.49 0.00 0.00 175.26 175.04 1mjo n ARG 80 N -3.15 0.00 0.17 1.61 5.12 -1.26 0.13 116.66 119.28 1mjo n ARG 80 Ca 0.07 0.29 0.06 0.00 -1.93 0.00 0.00 57.85 56.34 1mjo n ARG 80 Cb 0.57 -1.54 0.08 0.00 -1.16 0.00 0.00 32.46 30.41 1mjo n ARG 80 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1mjo h SER 81 N 0.00 0.00 -2.02 0.55 4.64 -2.04 -3.33 113.55 111.36 1mjo h SER 81 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1mjo h SER 81 Cb 0.08 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.77 1mjo h SER 81 CO 0.00 0.32 -1.15 -0.67 -0.87 0.00 0.00 176.83 174.47 1mjo n ASP 82 N -3.18 0.91 0.12 4.97 2.03 0.12 -4.95 116.55 116.57 1mjo n ASP 82 Ca 0.03 -2.98 0.07 0.00 0.52 0.00 0.00 54.79 52.43 1mjo n ASP 82 Cb 0.66 -0.62 0.02 0.00 -0.72 0.00 0.00 41.12 40.46 1mjo n ASP 82 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1mjo h GLU 83 N 3.22 0.00 -6.40 -0.67 4.11 -1.60 -3.40 114.58 109.84 1mjo h GLU 83 Ca 0.10 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.00 1mjo h GLU 83 Cb 0.92 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.20 1mjo h GLU 83 CO 0.51 0.15 1.20 0.42 0.07 0.00 0.00 179.01 181.37 1mjo s ILE 84 N -3.16 2.88 0.22 -1.06 1.01 -1.26 -4.89 121.20 114.93 1mjo s ILE 84 Ca 0.01 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 1mjo s ILE 84 Cb 0.08 -3.01 -0.15 0.00 0.01 0.00 0.00 42.46 39.38 1mjo s ILE 84 CO 0.76 -0.00 0.99 -2.65 0.00 0.00 0.00 174.94 174.04 1mjo n PRO 85 N 7.04 0.99 -0.23 2.79 -0.02 -1.26 -4.69 135.00 139.62 1mjo n PRO 85 Ca 0.19 0.35 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 1mjo n PRO 85 Cb 0.40 -1.71 0.14 0.00 -0.02 0.00 0.00 33.50 32.31 1mjo n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1mjo h GLU 86 N 2.41 0.46 0.00 -0.52 4.39 -1.93 0.04 114.58 119.42 1mjo h GLU 86 Ca -0.39 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 1mjo h GLU 86 Cb 1.36 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1mjo h GLU 86 CO 0.64 0.30 -0.06 0.00 -1.16 0.00 0.00 179.01 178.73 1mjo h ALA 87 N 1.47 1.21 0.21 3.43 0.00 -1.93 -0.89 119.26 122.75 1mjo h ALA 87 Ca 0.35 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 1mjo h ALA 87 Cb 0.46 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1mjo h ALA 87 CO -0.33 0.08 -1.47 0.00 0.00 0.00 0.00 179.25 177.53 1mjo h ALA 88 N 1.94 -0.04 -0.96 0.00 0.00 -1.37 -2.89 119.26 115.93 1mjo h ALA 88 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 54.91 54.00 1mjo h ALA 88 Cb 0.25 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1mjo h ALA 88 CO 0.01 0.82 0.62 0.87 0.00 0.00 0.00 179.25 181.57 1mjo h LYS 89 N 0.12 1.28 -0.42 0.00 1.57 -0.18 0.93 116.57 119.87 1mjo h LYS 89 Ca -0.24 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.39 1mjo h LYS 89 Cb 2.11 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 34.13 1mjo h LYS 89 CO 0.24 0.86 0.01 1.49 -0.57 0.00 0.00 179.45 181.49 1mjo h GLU 90 N 1.31 0.74 -0.33 3.15 4.57 -1.26 -2.26 114.58 120.51 1mjo h GLU 90 Ca 0.35 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 1mjo h GLU 90 Cb -0.12 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1mjo h GLU 90 CO -0.07 0.81 -0.25 0.82 -1.18 0.00 0.00 179.01 179.14 1mjo h ILE 91 N 0.58 1.27 -0.60 2.32 2.04 -1.24 -2.63 117.51 119.25 1mjo h ILE 91 Ca 0.12 -1.34 0.01 0.00 1.00 0.00 0.00 64.86 64.66 1mjo h ILE 91 Cb 0.47 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1mjo h ILE 91 CO 0.02 0.44 0.39 0.24 0.00 0.00 0.00 178.15 179.24 1mjo h MET 92 N 0.58 0.77 0.15 2.37 2.86 -0.63 -2.47 114.93 118.55 1mjo h MET 92 Ca 0.08 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1mjo h MET 92 Cb 0.73 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 1mjo h MET 92 CO 0.06 0.51 -0.09 0.00 1.06 0.00 0.00 176.91 178.45 1mjo h ARG 93 N 0.79 -0.22 0.00 1.72 3.08 -1.16 -0.50 114.38 118.09 1mjo h ARG 93 Ca 0.22 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1mjo h ARG 93 Cb -0.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1mjo h ARG 93 CO -0.06 -0.15 0.00 -1.91 -1.07 0.00 0.00 179.97 176.78 1mjo n GLU 94 N -5.20 0.11 0.04 0.04 2.13 -1.01 -0.98 120.64 115.77 1mjo n GLU 94 Ca -0.08 0.55 0.11 0.00 0.66 0.00 0.00 57.16 58.40 1mjo n GLU 94 Cb 0.12 -1.81 0.00 0.00 0.27 0.00 0.00 31.44 30.03 1mjo n GLU 94 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1mjo n MET 95 N -2.03 0.41 0.00 5.31 1.56 -0.51 -4.96 117.12 116.91 1mjo n MET 95 Ca -0.00 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1mjo n MET 95 Cb 0.06 -1.64 0.00 0.00 2.15 0.00 0.00 33.22 33.79 1mjo n MET 95 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1mjo n GLY 96 N 1.31 0.63 3.68 -5.12 0.00 -0.15 -5.08 105.19 100.46 1mjo n GLY 96 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1mjo n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mjo s ILE 97 N -2.00 5.30 -0.47 -0.61 1.01 -0.31 -4.99 121.20 119.13 1mjo s ILE 97 Ca 0.00 0.42 -0.27 0.00 0.00 0.00 0.00 60.65 60.79 1mjo s ILE 97 Cb 0.00 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1mjo s ILE 97 CO 0.00 0.32 1.04 0.21 0.00 0.00 0.00 174.94 176.51 1mjo s ASN 98 N 0.95 6.58 0.27 3.58 2.47 -1.26 -2.90 114.94 124.63 1mjo s ASN 98 Ca 0.13 0.33 -0.04 0.00 0.42 0.00 0.00 52.86 53.70 1mjo s ASN 98 Cb -0.14 -2.51 0.34 0.00 -1.45 0.00 0.00 41.25 37.50 1mjo s ASN 98 CO 0.05 -1.15 1.94 -0.65 -3.72 0.00 0.00 177.10 173.57 1mjo h PRO 99 N 9.13 1.20 0.00 0.43 0.11 -1.90 -2.60 132.00 138.37 1mjo h PRO 99 Ca -0.23 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1mjo h PRO 99 Cb 1.07 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1mjo h PRO 99 CO 1.08 0.81 0.00 0.39 -0.21 0.00 0.00 178.00 180.07 1mjo n GLU 100 N -4.39 0.02 0.00 1.05 -0.58 -1.26 -2.09 120.64 113.40 1mjo n GLU 100 Ca 0.10 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 1mjo n GLU 100 Cb 0.03 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1mjo n GLU 100 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1mjo n THR 101 N -1.36 0.00 -2.40 2.62 -2.24 -1.01 -5.05 114.28 104.83 1mjo n THR 101 Ca 0.01 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1mjo n THR 101 Cb 0.02 1.55 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1mjo n THR 101 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mjo s TRP 102 N -0.02 2.95 0.02 4.78 -0.11 -0.89 -5.02 118.94 120.66 1mjo s TRP 102 Ca 0.00 1.04 -0.25 0.00 1.22 0.00 0.00 56.10 58.11 1mjo s TRP 102 Cb 0.00 -3.50 -0.05 0.00 -1.50 0.00 0.00 33.47 28.42 1mjo s TRP 102 CO 0.00 -1.71 0.75 -1.21 -4.62 0.00 0.00 176.95 170.16 1mjo s GLU 103 N 2.90 4.48 0.00 5.86 2.02 -1.26 -5.03 118.70 127.67 1mjo s GLU 103 Ca 0.57 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.58 1mjo s GLU 103 Cb -0.24 -3.38 0.00 0.00 0.10 0.00 0.00 34.13 30.61 1mjo s GLU 103 CO 0.19 0.24 0.01 2.48 0.02 0.00 0.00 175.26 178.21