#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwg n TYR 4 N 0.00 0.00 -0.06 2.13 0.18 -1.26 -4.30 117.16 113.85 3bwg n TYR 4 Ca 0.00 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.61 3bwg n TYR 4 Cb 0.00 -0.02 -0.13 0.00 -0.38 0.00 0.00 39.34 38.81 3bwg n TYR 4 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3bwg h GLN 5 N 3.12 0.04 -0.51 -3.48 4.20 -1.97 -3.07 115.11 113.45 3bwg h GLN 5 Ca 0.00 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.74 3bwg h GLN 5 Cb 0.76 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.46 3bwg h GLN 5 CO 0.00 1.04 -0.19 1.96 -0.67 0.00 0.00 178.83 180.96 3bwg h GLN 6 N -0.90 -0.08 -0.16 1.46 1.08 -2.02 -2.52 115.11 111.97 3bwg h GLN 6 Ca -0.10 0.01 -0.11 0.00 -1.45 0.00 0.00 58.65 56.99 3bwg h GLN 6 Cb 1.17 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 3bwg h GLN 6 CO -0.02 -0.05 -0.39 0.82 -0.95 0.00 0.00 178.83 178.24 3bwg h ILE 7 N -0.08 1.30 -0.83 2.54 5.03 -1.75 -2.54 117.51 121.19 3bwg h ILE 7 Ca 0.24 -1.51 0.06 0.00 -0.12 0.00 0.00 64.86 63.53 3bwg h ILE 7 Cb 0.45 1.61 -0.06 0.00 -3.03 0.00 0.00 36.82 35.79 3bwg h ILE 7 CO -0.56 0.46 0.52 0.00 -0.68 0.00 0.00 178.15 177.89 3bwg h ALA 8 N 1.28 1.13 -0.03 1.87 0.00 -1.36 -1.01 119.26 121.15 3bwg h ALA 8 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3bwg h ALA 8 Cb 0.83 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3bwg h ALA 8 CO 0.07 0.27 -0.61 1.15 0.00 0.00 0.00 179.25 180.13 3bwg h THR 9 N 0.96 1.42 0.00 0.00 2.02 -1.10 -1.86 112.91 114.34 3bwg h THR 9 Ca 0.36 -2.05 -0.02 0.00 0.77 0.00 0.00 66.41 65.48 3bwg h THR 9 Cb 0.14 2.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3bwg h THR 9 CO -0.16 0.59 -0.17 1.05 0.37 0.00 0.00 175.52 177.20 3bwg h GLU 10 N 0.08 0.00 -0.25 6.66 4.11 -1.35 0.15 114.58 123.98 3bwg h GLU 10 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 3bwg h GLU 10 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3bwg h GLU 10 CO 0.09 0.08 0.08 0.82 0.07 0.00 0.00 179.01 180.14 3bwg h ILE 11 N 0.00 1.20 -0.90 -1.06 2.04 -0.88 0.45 117.51 118.36 3bwg h ILE 11 Ca -0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3bwg h ILE 11 Cb 1.06 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.24 3bwg h ILE 11 CO 0.01 0.20 0.50 -0.33 0.00 0.00 0.00 178.15 178.53 3bwg h GLU 12 N 0.24 1.24 -0.36 2.37 5.08 -1.24 -0.06 114.58 121.85 3bwg h GLU 12 Ca 0.08 -0.14 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3bwg h GLU 12 Cb 0.24 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3bwg h GLU 12 CO -0.00 0.90 -0.03 1.15 -1.00 0.00 0.00 179.01 180.03 3bwg h THR 13 N 1.25 0.70 0.16 1.13 2.02 -0.65 -1.96 112.91 115.56 3bwg h THR 13 Ca 0.32 -0.02 0.01 0.00 0.77 0.00 0.00 66.41 67.49 3bwg h THR 13 Cb 0.01 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 3bwg h THR 13 CO -0.05 0.01 -0.31 0.22 0.37 0.00 0.00 175.52 175.76 3bwg h TYR 14 N 0.07 -0.84 -0.47 3.16 3.20 0.16 0.70 116.97 122.94 3bwg h TYR 14 Ca 0.17 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.15 3bwg h TYR 14 Cb 0.25 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 38.79 3bwg h TYR 14 CO -0.27 -0.42 -0.06 0.82 -1.64 0.00 0.00 178.16 176.58 3bwg h ILE 15 N -0.56 0.58 0.23 1.81 2.04 -1.05 0.16 117.51 120.71 3bwg h ILE 15 Ca 0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3bwg h ILE 15 Cb 0.57 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3bwg h ILE 15 CO -0.15 0.01 -0.43 -0.33 0.00 0.00 0.00 178.15 177.24 3bwg h GLU 16 N 0.05 -0.69 -0.11 2.37 5.08 -1.06 0.27 114.58 120.50 3bwg h GLU 16 Ca 0.23 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3bwg h GLU 16 Cb 0.35 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 3bwg h GLU 16 CO -0.44 -0.46 -0.28 0.93 -1.00 0.00 0.00 179.01 177.76 3bwg h GLU 17 N -0.71 -0.35 -0.20 2.33 4.39 0.64 -1.88 114.58 118.80 3bwg h GLU 17 Ca -0.02 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bwg h GLU 17 Cb 0.67 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3bwg h GLU 17 CO -0.16 -0.23 0.00 0.72 -1.16 0.00 0.00 179.01 178.18 3bwg n HIS 18 N -5.39 0.00 -4.21 4.33 8.25 0.54 -4.89 115.22 113.84 3bwg n HIS 18 Ca -0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.04 3bwg n HIS 18 Cb 0.30 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.35 3bwg n HIS 18 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3bwg n GLN 19 N -0.39 -0.62 -3.15 -0.41 6.02 -0.71 -4.94 117.38 113.18 3bwg n GLN 19 Ca 0.00 0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 3bwg n GLN 19 Cb 0.05 -3.07 -0.04 0.00 1.02 0.00 0.00 30.24 28.20 3bwg n GLN 19 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3bwg s LEU 20 N -7.45 4.00 0.15 1.08 1.43 0.91 -5.02 118.68 113.78 3bwg s LEU 20 Ca 0.23 1.02 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 3bwg s LEU 20 Cb -0.13 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 3bwg s LEU 20 CO 0.99 -0.24 -0.14 -1.58 0.23 0.00 0.00 176.35 175.61 3bwg s GLN 21 N -3.38 1.11 -0.10 1.70 2.00 -1.26 -4.82 119.66 114.91 3bwg s GLN 21 Ca 0.49 -1.37 -0.40 0.00 -2.00 0.00 0.00 55.36 52.09 3bwg s GLN 21 Cb -0.11 -0.92 -0.18 0.00 0.80 0.00 0.00 33.01 32.61 3bwg s GLN 21 CO 0.26 0.16 1.40 0.94 -0.50 0.00 0.00 175.29 177.55 3bwg n GLN 22 N 0.18 0.69 -0.09 1.67 7.27 -1.26 -1.23 117.38 124.62 3bwg n GLN 22 Ca -0.13 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.19 3bwg n GLN 22 Cb 0.58 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 31.39 3bwg n GLN 22 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3bwg n GLY 23 N 2.85 0.58 3.74 1.69 0.00 0.07 -4.98 105.19 109.14 3bwg n GLY 23 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 3bwg n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bwg s ASP 24 N -2.92 7.33 -0.03 1.61 1.01 -0.36 -4.81 116.67 118.50 3bwg s ASP 24 Ca 0.00 1.60 -0.30 0.00 0.71 0.00 0.00 52.55 54.56 3bwg s ASP 24 Cb 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 3bwg s ASP 24 CO 0.00 -0.04 1.45 -1.59 0.21 0.00 0.00 175.17 175.21 3bwg s LYS 25 N 0.04 4.25 0.49 8.23 0.00 -1.26 -1.31 119.74 130.18 3bwg s LYS 25 Ca 0.43 1.99 -0.22 0.00 0.00 0.00 0.00 55.97 58.17 3bwg s LYS 25 Cb -0.22 -3.69 -0.07 0.00 0.00 0.00 0.00 37.83 33.85 3bwg s LYS 25 CO 0.26 -0.66 1.18 -0.51 0.00 0.00 0.00 175.35 175.61 3bwg s LEU 26 N 2.94 3.92 0.69 2.77 1.02 0.40 -4.95 118.68 125.46 3bwg s LEU 26 Ca 0.65 2.33 -0.17 0.00 0.02 0.00 0.00 54.13 56.97 3bwg s LEU 26 Cb -0.31 -4.33 -0.02 0.00 0.02 0.00 0.00 46.19 41.54 3bwg s LEU 26 CO 0.26 -1.08 0.80 -0.81 0.02 0.00 0.00 176.35 175.54 3bwg n PRO 27 N -0.77 0.52 -1.17 1.29 -0.04 -1.26 -4.64 135.00 128.92 3bwg n PRO 27 Ca 0.09 0.22 -0.37 0.00 -0.04 0.00 0.00 63.50 63.40 3bwg n PRO 27 Cb 0.48 -2.06 0.01 0.00 -0.04 0.00 0.00 33.50 31.90 3bwg n PRO 27 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3bwg n VAL 28 N -2.27 0.00 -0.18 0.52 0.31 -1.26 -4.73 118.33 110.72 3bwg n VAL 28 Ca 0.12 -0.48 -0.03 0.00 -0.01 0.00 0.00 64.34 63.94 3bwg n VAL 28 Cb 0.49 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.49 3bwg n VAL 28 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3bwg h LEU 29 N -0.15 0.29 -1.17 7.52 5.85 -2.01 -2.23 115.31 123.42 3bwg h LEU 29 Ca -0.40 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 3bwg h LEU 29 Cb 1.38 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3bwg h LEU 29 CO 0.38 0.20 -0.31 -0.33 -0.34 0.00 0.00 178.44 178.04 3bwg h GLU 30 N 0.45 0.19 -0.21 1.25 3.07 -2.02 -2.76 114.58 114.55 3bwg h GLU 30 Ca 0.26 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.92 3bwg h GLU 30 Cb 0.24 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3bwg h GLU 30 CO -0.22 0.48 -0.40 1.15 -1.40 0.00 0.00 179.01 178.61 3bwg h THR 31 N 0.17 1.30 0.00 1.13 2.02 -1.75 -2.26 112.91 113.52 3bwg h THR 31 Ca 0.02 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.65 3bwg h THR 31 Cb 0.63 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3bwg h THR 31 CO 0.05 0.48 0.00 0.18 0.37 0.00 0.00 175.52 176.60 3bwg n LEU 32 N -4.03 1.12 0.00 2.58 4.77 -1.04 -2.19 117.00 118.21 3bwg n LEU 32 Ca -0.02 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.41 3bwg n LEU 32 Cb 0.50 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3bwg n LEU 32 CO 0.44 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.70 3bwg n ALA 34 N 0.58 0.00 -0.09 -1.18 0.00 -0.85 -1.20 120.51 117.77 3bwg n ALA 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3bwg n ALA 34 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 3bwg n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3bwg h GLN 35 N 0.00 0.67 -0.02 0.00 4.15 -1.71 -3.29 115.11 114.91 3bwg h GLN 35 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3bwg h GLN 35 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.70 3bwg h GLN 35 CO 0.00 0.96 -0.08 1.19 -1.93 0.00 0.00 178.83 178.97 3bwg n PHE 36 N -4.30 0.00 -3.12 3.99 3.72 -0.34 -5.01 117.46 112.40 3bwg n PHE 36 Ca -0.04 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.28 3bwg n PHE 36 Cb 0.45 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3bwg n PHE 36 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3bwg n GLU 37 N 0.57 -1.69 -3.67 -1.08 1.02 -1.24 -5.04 120.64 109.51 3bwg n GLU 37 Ca 0.15 1.59 -0.07 0.00 -0.02 0.00 0.00 57.16 58.81 3bwg n GLU 37 Cb 0.47 -5.10 -0.02 0.00 -0.02 0.00 0.00 31.44 26.78 3bwg n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3bwg s VAL 38 N -2.79 0.00 0.31 2.62 0.11 -1.26 -5.08 120.40 114.31 3bwg s VAL 38 Ca 0.10 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.72 3bwg s VAL 38 Cb -0.02 -1.62 -0.02 0.00 -1.53 0.00 0.00 36.38 33.19 3bwg s VAL 38 CO 0.78 0.00 0.40 -0.44 -3.33 0.00 0.00 175.10 172.51 3bwg s SER 39 N -2.80 5.92 0.40 3.54 0.01 -1.26 -4.70 113.70 114.80 3bwg s SER 39 Ca 0.09 -0.18 0.21 0.00 1.31 0.00 0.00 55.95 57.38 3bwg s SER 39 Cb -0.02 -1.35 1.19 0.00 0.21 0.00 0.00 66.02 66.05 3bwg s SER 39 CO -0.02 -0.31 1.71 0.50 0.41 0.00 0.00 173.24 175.54 3bwg h LYS 40 N 1.05 0.29 0.09 12.44 3.11 -2.00 -1.37 116.57 130.18 3bwg h LYS 40 Ca -0.47 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.35 3bwg h LYS 40 Cb 1.25 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.41 3bwg h LYS 40 CO 0.56 0.19 -0.04 1.03 -2.81 0.00 0.00 179.45 178.38 3bwg h SER 41 N 0.29 -0.10 -1.00 4.20 0.87 -2.00 -3.22 113.55 112.59 3bwg h SER 41 Ca 0.69 -0.49 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 3bwg h SER 41 Cb 1.85 0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 63.79 3bwg h SER 41 CO -0.38 0.53 0.66 0.74 -0.53 0.00 0.00 176.83 177.84 3bwg h THR 42 N -0.82 1.23 -0.01 2.23 2.02 -1.67 -2.12 112.91 113.78 3bwg h THR 42 Ca -0.01 -0.46 -0.22 0.00 0.77 0.00 0.00 66.41 66.49 3bwg h THR 42 Cb 0.59 -0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3bwg h THR 42 CO 0.02 0.24 -0.91 0.16 0.37 0.00 0.00 175.52 175.41 3bwg h ILE 43 N 1.33 1.41 -0.20 3.11 3.07 -1.52 -1.77 117.51 122.94 3bwg h ILE 43 Ca 0.38 -2.43 -0.02 0.00 1.55 0.00 0.00 64.86 64.33 3bwg h ILE 43 Cb -0.11 2.39 -0.01 0.00 -0.27 0.00 0.00 36.82 38.81 3bwg h ILE 43 CO -0.09 0.72 0.04 0.74 -1.05 0.00 0.00 178.15 178.51 3bwg h THR 44 N 0.22 1.22 -0.72 0.16 2.02 -1.49 0.94 112.91 115.26 3bwg h THR 44 Ca -0.07 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.39 3bwg h THR 44 Cb 1.53 1.31 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 3bwg h THR 44 CO 0.15 0.22 0.47 0.50 0.37 0.00 0.00 175.52 177.24 3bwg h LYS 45 N 0.13 0.95 0.00 6.66 1.63 -1.48 -0.14 116.57 124.32 3bwg h LYS 45 Ca 0.06 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 3bwg h LYS 45 Cb 0.31 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3bwg h LYS 45 CO 0.00 0.63 -0.36 1.03 -3.45 0.00 0.00 179.45 177.30 3bwg h SER 46 N 0.97 0.00 0.52 4.20 0.87 -0.77 -2.86 113.55 116.48 3bwg h SER 46 Ca 0.26 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.53 3bwg h SER 46 Cb -0.11 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.87 3bwg h SER 46 CO -0.06 0.36 -1.30 -0.07 -0.53 0.00 0.00 176.83 175.23 3bwg h LEU 47 N 0.00 0.55 -0.60 2.23 4.07 0.23 -3.11 115.31 118.68 3bwg h LEU 47 Ca -0.00 -0.58 -0.15 0.00 0.08 0.00 0.00 57.88 57.23 3bwg h LEU 47 Cb 0.78 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 3bwg h LEU 47 CO 0.05 1.45 -0.52 -0.33 -1.08 0.00 0.00 178.44 178.01 3bwg h GLU 48 N 0.10 0.49 -0.87 1.13 5.08 -1.09 -1.45 114.58 117.97 3bwg h GLU 48 Ca -0.17 -0.29 0.14 0.00 -1.00 0.00 0.00 59.36 58.04 3bwg h GLU 48 Cb 2.02 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 31.20 3bwg h GLU 48 CO 0.22 0.89 0.47 1.25 -1.00 0.00 0.00 179.01 180.84 3bwg h LEU 49 N 0.38 0.60 0.07 1.33 6.46 -1.59 -1.81 115.31 120.75 3bwg h LEU 49 Ca 0.01 0.08 -0.25 0.00 -0.12 0.00 0.00 57.88 57.61 3bwg h LEU 49 Cb 1.04 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 3bwg h LEU 49 CO 0.09 0.27 -1.14 -0.07 -0.62 0.00 0.00 178.44 176.97 3bwg h LEU 50 N 0.68 0.26 -0.21 2.25 4.07 -1.41 -2.11 115.31 118.84 3bwg h LEU 50 Ca 0.46 -0.27 -0.19 0.00 0.08 0.00 0.00 57.88 57.97 3bwg h LEU 50 Cb 0.62 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.28 3bwg h LEU 50 CO -0.34 1.21 -0.59 1.05 -1.08 0.00 0.00 178.44 178.69 3bwg h GLU 51 N 0.05 0.78 -0.60 1.13 4.11 -1.12 0.13 114.58 119.05 3bwg h GLU 51 Ca -0.08 -0.55 0.06 0.00 0.07 0.00 0.00 59.36 58.86 3bwg h GLU 51 Cb 1.89 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 31.17 3bwg h GLU 51 CO 0.17 1.17 0.30 0.37 0.07 0.00 0.00 179.01 181.10 3bwg h GLN 52 N 0.52 0.54 0.00 1.06 4.15 -1.41 0.15 115.11 120.12 3bwg h GLN 52 Ca -0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3bwg h GLN 52 Cb 1.21 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3bwg h GLN 52 CO 0.13 0.36 0.00 -0.22 -1.93 0.00 0.00 178.83 177.16 3bwg h LYS 53 N 0.55 0.00 0.00 1.69 3.64 -1.32 -3.46 116.57 117.68 3bwg h LYS 53 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3bwg h LYS 53 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3bwg h LYS 53 CO -0.21 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.38 3bwg n GLY 54 N -1.00 0.43 0.12 5.01 0.00 0.51 -4.97 105.19 105.29 3bwg n GLY 54 Ca -0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 3bwg n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwg h ALA 55 N 0.00 0.59 -3.28 4.61 0.00 -0.93 -3.40 119.26 116.85 3bwg h ALA 55 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 54.91 53.98 3bwg h ALA 55 Cb 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 17.79 17.47 3bwg h ALA 55 CO 0.00 0.83 -0.75 0.96 0.00 0.00 0.00 179.25 180.30 3bwg s ILE 56 N -2.94 0.71 -0.10 0.00 -4.36 -1.18 -0.11 121.20 113.23 3bwg s ILE 56 Ca 0.03 -1.11 0.04 0.00 -0.26 0.00 0.00 60.65 59.34 3bwg s ILE 56 Cb 0.09 -0.74 0.00 0.00 1.25 0.00 0.00 42.46 43.06 3bwg s ILE 56 CO 0.77 -0.31 -0.23 0.72 0.24 0.00 0.00 174.94 176.14 3bwg s PHE 57 N -1.28 2.49 0.01 1.37 -0.12 0.13 -4.41 117.98 116.16 3bwg s PHE 57 Ca -0.07 -1.06 0.01 0.00 -0.05 0.00 0.00 56.93 55.76 3bwg s PHE 57 Cb -0.10 -1.68 -0.04 0.00 -0.63 0.00 0.00 43.02 40.58 3bwg s PHE 57 CO 0.01 -0.45 0.04 1.14 -0.05 0.00 0.00 175.22 175.92 3bwg s GLN 58 N 0.47 2.90 -0.33 1.99 -2.07 -1.26 -1.20 119.66 120.16 3bwg s GLN 58 Ca -0.16 -0.59 0.03 0.00 -1.82 0.00 0.00 55.36 52.82 3bwg s GLN 58 Cb -0.17 -2.75 0.10 0.00 -1.09 0.00 0.00 33.01 29.10 3bwg s GLN 58 CO 0.06 0.62 0.05 0.08 -1.32 0.00 0.00 175.29 174.79 3bwg s VAL 59 N -1.19 2.04 -0.40 3.63 1.01 -0.84 -5.00 120.40 119.65 3bwg s VAL 59 Ca 0.23 -2.16 -0.29 0.00 0.00 0.00 0.00 61.98 59.76 3bwg s VAL 59 Cb -0.12 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 3bwg s VAL 59 CO 0.14 -0.59 2.32 -1.14 0.00 0.00 0.00 175.10 175.83 3bwg n ARG 60 N 4.36 1.31 0.00 2.72 3.00 -1.26 0.74 116.66 127.53 3bwg n ARG 60 Ca 0.02 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.12 3bwg n ARG 60 Cb 0.42 -3.03 0.00 0.00 0.00 0.00 0.00 32.46 29.85 3bwg n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3bwg n GLY 61 N 6.08 1.99 0.01 5.14 0.00 -1.26 -4.96 105.19 112.19 3bwg n GLY 61 Ca 0.37 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 3bwg n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3bwg n SER 62 N 0.00 0.30 0.00 1.61 7.64 0.23 -5.15 113.62 118.25 3bwg n SER 62 Ca 0.00 0.13 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3bwg n SER 62 Cb 0.00 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3bwg n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bwg n GLY 63 N 1.57 -0.31 3.03 0.23 0.00 -0.85 -5.01 105.19 103.85 3bwg n GLY 63 Ca -0.02 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 3bwg n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bwg s ILE 64 N -0.34 1.08 0.08 -0.61 1.01 -1.26 -1.98 121.20 119.18 3bwg s ILE 64 Ca 0.00 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.23 3bwg s ILE 64 Cb 0.00 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3bwg s ILE 64 CO 0.00 0.34 -0.16 -0.36 0.00 0.00 0.00 174.94 174.75 3bwg s PHE 65 N 0.46 1.41 0.19 3.97 0.40 -0.34 0.15 117.98 124.22 3bwg s PHE 65 Ca -0.10 -0.44 -0.28 0.00 -0.60 0.00 0.00 56.93 55.51 3bwg s PHE 65 Cb -0.13 -0.79 -0.08 0.00 0.51 0.00 0.00 43.02 42.53 3bwg s PHE 65 CO 0.03 0.10 0.88 0.14 0.70 0.00 0.00 175.22 177.07 3bwg s VAL 66 N -1.21 4.26 -0.06 -0.44 -7.23 -0.42 0.21 120.40 115.51 3bwg s VAL 66 Ca 0.01 1.94 0.04 0.00 -1.81 0.00 0.00 61.98 62.16 3bwg s VAL 66 Cb -0.10 -4.26 -0.02 0.00 0.56 0.00 0.00 36.38 32.57 3bwg s VAL 66 CO 0.03 0.47 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.50 3bwg s ARG 67 N -0.93 2.62 -0.30 4.82 3.52 0.84 -0.75 118.95 128.78 3bwg s ARG 67 Ca 0.40 -0.79 -0.03 0.00 -0.13 0.00 0.00 55.73 55.18 3bwg s ARG 67 Cb -0.24 -2.31 0.11 0.00 -1.56 0.00 0.00 34.95 30.94 3bwg s ARG 67 CO 0.29 0.47 0.14 -1.59 -0.81 0.00 0.00 175.30 173.80 3bwg s LYS 68 N -0.36 0.26 0.44 5.12 -2.85 -1.26 -4.26 119.74 116.82 3bwg s LYS 68 Ca 0.03 -0.65 -0.25 0.00 -1.00 0.00 0.00 55.97 54.09 3bwg s LYS 68 Cb -0.12 -1.21 -0.09 0.00 -2.06 0.00 0.00 37.83 34.34 3bwg s LYS 68 CO 0.02 -1.04 1.35 -2.39 0.10 0.00 0.00 175.35 173.39 3bwg n HIS 69 N 5.08 2.41 -2.94 1.78 1.44 -1.26 -4.82 115.22 116.91 3bwg n HIS 69 Ca -0.04 0.47 0.00 0.00 -2.01 0.00 0.00 57.72 56.14 3bwg n HIS 69 Cb 0.41 -2.42 0.00 0.00 0.12 0.00 0.00 29.99 28.11 3bwg n HIS 69 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 176.34 173.89 3bwg n LYS 70 N -0.08 1.26 -0.47 -1.40 2.85 -1.26 -5.02 118.16 114.05 3bwg n LYS 70 Ca 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 3bwg n LYS 70 Cb 0.40 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.78 3bwg n LYS 70 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3bwg n ARG 71 N -0.85 -1.31 -4.44 -1.58 1.74 -1.26 -5.08 116.66 103.89 3bwg n ARG 71 Ca 0.00 0.99 -0.24 0.00 -0.77 0.00 0.00 57.85 57.83 3bwg n ARG 71 Cb 0.00 -1.15 -0.10 0.00 -1.02 0.00 0.00 32.46 30.18 3bwg n ARG 71 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3bwg s LYS 72 N -5.00 1.59 0.00 5.56 1.02 -1.26 -4.83 119.74 116.82 3bwg s LYS 72 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.30 3bwg s LYS 72 Cb 0.00 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 3bwg s LYS 72 CO 0.00 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 3bwg n GLY 73 N -0.39 0.60 3.86 -3.33 0.00 -1.26 -5.05 105.19 99.62 3bwg n GLY 73 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3bwg n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bwg s TYR 74 N -2.05 3.62 0.01 1.61 2.02 -1.26 -4.80 117.35 116.50 3bwg s TYR 74 Ca 0.00 0.85 -0.20 0.00 -0.37 0.00 0.00 57.07 57.35 3bwg s TYR 74 Cb 0.00 -2.20 -0.06 0.00 -0.40 0.00 0.00 41.96 39.31 3bwg s TYR 74 CO 0.00 0.55 0.58 0.42 -1.57 0.00 0.00 175.55 175.53 3bwg s ILE 75 N -1.32 4.87 -0.40 2.71 1.01 0.33 -4.71 121.20 123.70 3bwg s ILE 75 Ca 0.31 1.22 -0.28 0.00 0.00 0.00 0.00 60.65 61.89 3bwg s ILE 75 Cb -0.15 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 3bwg s ILE 75 CO 0.17 0.46 1.65 -0.55 0.00 0.00 0.00 174.94 176.66 3bwg s SER 76 N -0.44 6.00 0.27 3.58 0.15 -1.26 -0.66 113.70 121.34 3bwg s SER 76 Ca 0.30 0.97 -0.00 0.00 0.70 0.00 0.00 55.95 57.92 3bwg s SER 76 Cb -0.18 -2.53 0.54 0.00 -1.71 0.00 0.00 66.02 62.14 3bwg s SER 76 CO 0.17 -1.68 1.78 0.25 1.20 0.00 0.00 173.24 174.96 3bwg h LEU 77 N 13.41 0.62 -0.10 3.45 6.46 -1.85 -3.07 115.31 134.23 3bwg h LEU 77 Ca -0.30 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.54 3bwg h LEU 77 Cb 1.14 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.05 3bwg h LEU 77 CO 1.08 0.27 -0.18 0.18 -0.62 0.00 0.00 178.44 179.18 3bwg n LEU 78 N -4.82 0.33 0.00 2.25 4.77 -1.26 -5.13 117.00 113.14 3bwg n LEU 78 Ca 0.18 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3bwg n LEU 78 Cb 0.42 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3bwg n LEU 78 CO 0.22 0.07 0.00 -1.54 -1.33 0.00 0.00 177.39 174.81 3bwg n SER 79 N -1.27 0.00 0.00 -1.43 3.41 -1.16 -5.08 113.62 108.09 3bwg n SER 79 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3bwg n SER 79 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3bwg n SER 79 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3bwg n LEU 87 N 0.00 0.00 0.00 1.04 7.94 -1.26 -4.79 117.00 119.93 3bwg n LEU 87 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3bwg n LEU 87 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3bwg n LEU 87 CO 0.00 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 174.44 3bwg n GLU 88 N 0.00 0.00 -0.00 1.96 0.00 -1.26 -4.61 120.64 116.73 3bwg n GLU 88 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.30 3bwg n GLU 88 Cb 0.00 -0.12 0.77 0.00 0.00 0.00 0.00 31.44 32.10 3bwg n GLU 88 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3bwg n ASP 89 N -1.72 0.35 -4.50 -1.84 4.64 -1.26 -4.46 116.55 107.76 3bwg n ASP 89 Ca 0.00 -1.20 -0.42 0.00 -1.38 0.00 0.00 54.79 51.79 3bwg n ASP 89 Cb 0.00 -0.01 -0.03 0.00 -1.04 0.00 0.00 41.12 40.04 3bwg n ASP 89 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3bwg s PHE 90 N -1.99 2.63 -1.19 -0.67 2.99 -1.26 -4.91 117.98 113.59 3bwg s PHE 90 Ca 0.42 -0.66 -0.17 0.00 0.00 0.00 0.00 56.93 56.51 3bwg s PHE 90 Cb 0.20 -4.47 -0.04 0.00 0.00 0.00 0.00 43.02 38.72 3bwg s PHE 90 CO 0.33 -1.79 2.09 -1.71 -0.00 0.00 0.00 175.22 174.14 3bwg n ASN 91 N 8.15 3.38 -4.66 1.36 2.85 -1.26 -4.10 115.26 120.98 3bwg n ASN 91 Ca 0.12 -2.78 -0.38 0.00 -0.11 0.00 0.00 54.58 51.42 3bwg n ASN 91 Cb 0.48 -1.46 -0.08 0.00 1.24 0.00 0.00 39.78 39.97 3bwg n ASN 91 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3bwg s VAL 92 N 4.10 5.19 0.30 3.44 1.01 -1.25 -1.93 120.40 131.25 3bwg s VAL 92 Ca 0.52 0.68 0.03 0.00 0.00 0.00 0.00 61.98 63.20 3bwg s VAL 92 Cb 0.13 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3bwg s VAL 92 CO 0.00 0.23 0.13 0.42 0.00 0.00 0.00 175.10 175.89 3bwg s THR 93 N 1.46 0.46 -0.08 3.92 -4.23 -0.54 -4.97 115.64 111.67 3bwg s THR 93 Ca 0.18 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3bwg s THR 93 Cb -0.15 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.16 3bwg s THR 93 CO 0.08 0.00 0.21 -0.44 -0.54 0.00 0.00 174.62 173.93 3bwg s SER 94 N -3.38 -0.21 -0.30 3.99 0.01 -1.24 -0.21 113.70 112.36 3bwg s SER 94 Ca 0.35 0.42 -0.08 0.00 1.31 0.00 0.00 55.95 57.95 3bwg s SER 94 Cb 0.06 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.71 3bwg s SER 94 CO 0.16 -0.07 0.10 -0.75 0.41 0.00 0.00 173.24 173.09 3bwg s LYS 95 N 0.14 3.22 -0.19 12.44 2.20 0.50 -4.85 119.74 133.21 3bwg s LYS 95 Ca -0.00 -0.78 -0.27 0.00 -0.36 0.00 0.00 55.97 54.57 3bwg s LYS 95 Cb -0.02 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 3bwg s LYS 95 CO 0.00 -0.41 0.90 0.08 -0.36 0.00 0.00 175.35 175.56 3bwg s VAL 96 N 1.55 4.82 -0.21 4.02 1.01 -1.26 -0.69 120.40 129.63 3bwg s VAL 96 Ca 0.04 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 3bwg s VAL 96 Cb -0.17 -4.20 -0.19 0.00 0.00 0.00 0.00 36.38 31.82 3bwg s VAL 96 CO 0.04 -0.04 0.08 -0.38 0.00 0.00 0.00 175.10 174.80 3bwg n ILE 97 N 4.92 1.60 -3.93 2.22 5.41 0.17 -4.96 119.36 124.79 3bwg n ILE 97 Ca 0.07 -0.34 -0.10 0.00 1.00 0.00 0.00 62.75 63.37 3bwg n ILE 97 Cb 0.48 -1.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.45 3bwg n ILE 97 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3bwg s GLU 98 N -2.47 0.23 -0.11 0.38 2.02 -0.80 -4.97 118.70 112.98 3bwg s GLU 98 Ca -0.30 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.29 3bwg s GLU 98 Cb 0.08 0.09 0.05 0.00 0.10 0.00 0.00 34.13 34.45 3bwg s GLU 98 CO 0.62 -0.04 0.23 -1.17 0.02 0.00 0.00 175.26 174.92 3bwg s LEU 99 N -0.93 -0.03 0.38 1.80 2.96 -1.26 -1.18 118.68 120.42 3bwg s LEU 99 Ca -0.10 0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 54.23 3bwg s LEU 99 Cb -0.06 0.59 0.03 0.00 0.50 0.00 0.00 46.19 47.24 3bwg s LEU 99 CO -0.00 -0.22 0.63 1.51 -1.32 0.00 0.00 176.35 176.95 3bwg s ASP 100 N 2.06 0.57 -0.23 3.68 1.47 -0.72 -4.99 116.67 118.51 3bwg s ASP 100 Ca -0.01 -1.38 -0.10 0.00 1.18 0.00 0.00 52.55 52.24 3bwg s ASP 100 Cb -0.12 0.77 -0.05 0.00 -0.34 0.00 0.00 42.92 43.19 3bwg s ASP 100 CO -0.08 -1.52 0.14 -0.69 0.68 0.00 0.00 175.17 173.70 3bwg s VAL 101 N -2.56 5.26 0.22 2.11 1.01 -1.26 -0.81 120.40 124.37 3bwg s VAL 101 Ca 0.24 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3bwg s VAL 101 Cb -0.03 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3bwg s VAL 101 CO 0.17 0.38 0.39 0.00 0.00 0.00 0.00 175.10 176.03 3bwg s ARG 102 N 0.87 1.40 0.54 2.72 1.70 -0.17 -4.97 118.95 121.04 3bwg s ARG 102 Ca 0.07 -1.26 -0.18 0.00 -0.47 0.00 0.00 55.73 53.89 3bwg s ARG 102 Cb -0.13 0.42 -0.06 0.00 -0.57 0.00 0.00 34.95 34.61 3bwg s ARG 102 CO 0.03 -0.55 1.06 0.15 -1.08 0.00 0.00 175.30 174.91 3bwg s LYS 103 N -4.01 3.53 0.55 3.89 -0.14 -1.26 -0.06 119.74 122.23 3bwg s LYS 103 Ca 0.22 1.35 -0.15 0.00 -1.36 0.00 0.00 55.97 56.04 3bwg s LYS 103 Cb 0.01 -2.05 -0.06 0.00 -1.68 0.00 0.00 37.83 34.05 3bwg s LYS 103 CO 0.06 -0.66 1.01 -1.25 -0.76 0.00 0.00 175.35 173.75 3bwg s PRO 104 N -3.55 3.75 0.75 -1.68 0.04 -1.26 -4.85 135.00 128.20 3bwg s PRO 104 Ca 0.67 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 3bwg s PRO 104 Cb -0.18 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.30 3bwg s PRO 104 CO 0.27 -0.44 1.09 0.95 0.04 0.00 0.00 177.00 178.91 3bwg s THR 105 N -2.72 3.48 0.36 1.26 -4.23 -1.26 -4.81 115.64 107.72 3bwg s THR 105 Ca 0.59 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.69 3bwg s THR 105 Cb -0.11 -3.04 0.32 0.00 1.34 0.00 0.00 72.50 71.01 3bwg s THR 105 CO 0.37 -0.61 1.89 -0.65 -0.54 0.00 0.00 174.62 175.08 3bwg h PRO 106 N -0.94 0.66 -0.16 3.99 0.11 -1.99 -0.79 132.00 132.88 3bwg h PRO 106 Ca -0.44 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.66 3bwg h PRO 106 Cb 1.23 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 3bwg h PRO 106 CO 0.53 0.44 -0.01 1.49 -0.21 0.00 0.00 178.00 180.23 3bwg h GLU 107 N 0.68 0.04 -0.60 1.05 4.81 -1.99 -0.65 114.58 117.91 3bwg h GLU 107 Ca 0.41 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 3bwg h GLU 107 Cb 0.64 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3bwg h GLU 107 CO -0.18 0.02 0.12 0.00 -0.73 0.00 0.00 179.01 178.25 3bwg h ALA 108 N 1.14 1.08 -0.54 2.92 0.00 -1.78 -2.02 119.26 120.07 3bwg h ALA 108 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3bwg h ALA 108 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bwg h ALA 108 CO -0.14 0.60 0.16 0.00 0.00 0.00 0.00 179.25 179.88 3bwg h ALA 109 N 1.22 0.70 -0.07 0.00 0.00 -0.83 0.15 119.26 120.44 3bwg h ALA 109 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3bwg h ALA 109 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3bwg h ALA 109 CO 0.00 0.37 0.01 1.49 0.00 0.00 0.00 179.25 181.12 3bwg h GLU 110 N 0.74 0.12 0.00 0.00 4.22 -1.03 0.60 114.58 119.23 3bwg h GLU 110 Ca 0.17 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.51 3bwg h GLU 110 Cb 0.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3bwg h GLU 110 CO -0.00 0.34 -0.31 -0.91 -2.18 0.00 0.00 179.01 175.95 3bwg h ASN 111 N -0.13 0.00 0.14 1.04 2.35 -1.22 -2.75 115.58 115.01 3bwg h ASN 111 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3bwg h ASN 111 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3bwg h ASN 111 CO 0.00 0.31 -0.39 0.18 -1.65 0.00 0.00 177.43 175.89 3bwg n LEU 112 N -3.58 1.39 -3.64 1.61 4.77 0.03 -4.91 117.00 112.67 3bwg n LEU 112 Ca -0.01 -0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 55.29 3bwg n LEU 112 Cb 0.45 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.52 3bwg n LEU 112 CO 0.35 0.26 0.13 -3.20 -1.33 0.00 0.00 177.39 173.61 3bwg n ASN 113 N -0.48 -4.07 -4.55 -1.43 5.15 0.03 -4.52 115.26 105.39 3bwg n ASN 113 Ca 0.10 -0.66 -0.26 0.00 -0.60 0.00 0.00 54.58 53.17 3bwg n ASN 113 Cb 0.39 -4.65 -0.11 0.00 -0.53 0.00 0.00 39.78 34.89 3bwg n ASN 113 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3bwg s ILE 114 N -3.39 1.77 0.00 -1.44 -4.36 -0.20 -5.04 121.20 108.55 3bwg s ILE 114 Ca 0.36 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3bwg s ILE 114 Cb -0.17 -2.88 0.00 0.00 1.25 0.00 0.00 42.46 40.67 3bwg s ILE 114 CO 0.77 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 176.52 3bwg n GLY 115 N -0.85 0.57 2.00 6.27 0.00 -1.26 -4.51 105.19 107.41 3bwg n GLY 115 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3bwg n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bwg n ASP 117 N 0.00 0.00 -4.67 1.61 5.75 -1.26 -4.81 116.55 113.17 3bwg n ASP 117 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.39 3bwg n ASP 117 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 3bwg n ASP 117 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3bwg s GLU 118 N 0.00 4.18 0.52 0.11 2.02 -1.26 -5.03 118.70 119.23 3bwg s GLU 118 Ca 0.00 0.30 -0.23 0.00 0.02 0.00 0.00 54.97 55.06 3bwg s GLU 118 Cb 0.00 -3.55 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 3bwg s GLU 118 CO 0.00 -0.10 1.39 -0.25 0.02 0.00 0.00 175.26 176.32 3bwg n ASP 119 N 4.63 2.91 -4.32 -0.19 8.00 -1.26 -4.17 116.55 122.15 3bwg n ASP 119 Ca -0.07 1.02 -0.21 0.00 0.71 0.00 0.00 54.79 56.25 3bwg n ASP 119 Cb 0.51 -1.59 -0.11 0.00 -0.02 0.00 0.00 41.12 39.91 3bwg n ASP 119 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3bwg s ILE 120 N -1.26 1.75 -0.04 0.53 -5.25 0.91 -2.30 121.20 115.55 3bwg s ILE 120 Ca 0.68 -1.93 -0.27 0.00 -0.99 0.00 0.00 60.65 58.14 3bwg s ILE 120 Cb -0.43 -1.83 -0.03 0.00 2.95 0.00 0.00 42.46 43.12 3bwg s ILE 120 CO 0.52 -0.36 0.86 -0.31 -1.79 0.00 0.00 174.94 173.86 3bwg s TYR 121 N -2.17 3.61 -0.16 1.37 1.51 0.06 -1.00 117.35 120.57 3bwg s TYR 121 Ca 0.16 1.49 -0.02 0.00 -1.01 0.00 0.00 57.07 57.69 3bwg s TYR 121 Cb -0.05 -2.99 -0.02 0.00 -0.11 0.00 0.00 41.96 38.79 3bwg s TYR 121 CO 0.06 0.01 -0.09 -0.47 -1.11 0.00 0.00 175.55 173.95 3bwg s TYR 122 N 1.04 2.90 -0.05 2.71 5.04 0.01 -0.94 117.35 128.06 3bwg s TYR 122 Ca 0.45 -0.62 0.05 0.00 -2.44 0.00 0.00 57.07 54.51 3bwg s TYR 122 Cb -0.19 -1.93 -0.01 0.00 0.35 0.00 0.00 41.96 40.18 3bwg s TYR 122 CO 0.23 -0.24 -0.20 0.14 -1.34 0.00 0.00 175.55 174.14 3bwg s VAL 123 N 0.61 1.62 -0.11 3.14 -7.23 -0.08 -1.76 120.40 116.60 3bwg s VAL 123 Ca -0.05 -0.82 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 3bwg s VAL 123 Cb -0.15 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.43 3bwg s VAL 123 CO 0.03 0.46 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.40 3bwg s LYS 124 N -0.04 1.94 0.08 4.82 2.20 -0.32 -0.98 119.74 127.44 3bwg s LYS 124 Ca -0.03 -0.45 -0.13 0.00 -0.36 0.00 0.00 55.97 55.00 3bwg s LYS 124 Cb -0.12 -1.75 0.02 0.00 -1.51 0.00 0.00 37.83 34.47 3bwg s LYS 124 CO 0.03 -0.14 0.30 -0.98 -0.36 0.00 0.00 175.35 174.20 3bwg s ARG 125 N 1.22 0.90 -0.19 4.03 1.70 -0.54 0.42 118.95 126.49 3bwg s ARG 125 Ca -0.03 -0.69 -0.04 0.00 -0.47 0.00 0.00 55.73 54.50 3bwg s ARG 125 Cb -0.14 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3bwg s ARG 125 CO -0.04 -0.31 -0.02 0.08 -1.08 0.00 0.00 175.30 173.93 3bwg s VAL 126 N -3.29 3.85 0.14 4.99 1.01 0.13 -1.02 120.40 126.22 3bwg s VAL 126 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3bwg s VAL 126 Cb 0.02 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3bwg s VAL 126 CO -0.08 0.45 0.25 -0.13 0.00 0.00 0.00 175.10 175.59 3bwg s ARG 127 N 0.87 3.35 0.01 2.72 0.52 -0.19 -0.37 118.95 125.86 3bwg s ARG 127 Ca 0.00 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 3bwg s ARG 127 Cb -0.14 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 3bwg s ARG 127 CO 0.02 0.52 -0.09 0.71 0.02 0.00 0.00 175.30 176.48 3bwg s TYR 128 N -1.72 0.82 -0.12 -0.53 2.02 0.71 0.74 117.35 119.27 3bwg s TYR 128 Ca 0.34 -0.22 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 3bwg s TYR 128 Cb -0.11 -0.51 0.01 0.00 -0.40 0.00 0.00 41.96 40.95 3bwg s TYR 128 CO 0.28 -0.01 -0.21 0.96 -1.57 0.00 0.00 175.55 175.00 3bwg s ILE 129 N -0.45 1.90 -1.48 2.71 -5.25 0.18 -1.46 121.20 117.34 3bwg s ILE 129 Ca 0.01 -0.90 -0.08 0.00 -0.99 0.00 0.00 60.65 58.70 3bwg s ILE 129 Cb -0.05 -1.68 0.06 0.00 2.95 0.00 0.00 42.46 43.74 3bwg s ILE 129 CO 0.00 0.52 0.73 0.59 -1.79 0.00 0.00 174.94 174.99 3bwg n ASN 130 N 3.97 -2.50 -2.21 4.36 3.02 -0.81 -1.55 115.26 119.54 3bwg n ASN 130 Ca -0.20 -0.89 -0.20 0.00 -0.03 0.00 0.00 54.58 53.26 3bwg n ASN 130 Cb 0.52 -3.50 -0.01 0.00 -0.61 0.00 0.00 39.78 36.17 3bwg n ASN 130 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bwg n GLY 131 N -1.69 -0.29 3.29 7.41 0.00 -1.26 -4.99 105.19 107.66 3bwg n GLY 131 Ca -0.13 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 3bwg n GLY 131 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwg s GLN 132 N -4.90 1.17 0.23 1.61 -1.52 -0.59 -5.13 119.66 110.53 3bwg s GLN 132 Ca 0.00 -1.38 -0.30 0.00 -1.95 0.00 0.00 55.36 51.72 3bwg s GLN 132 Cb 0.00 -1.07 -0.10 0.00 -0.22 0.00 0.00 33.01 31.62 3bwg s GLN 132 CO 0.00 0.20 1.46 0.95 -0.25 0.00 0.00 175.29 177.65 3bwg s THR 133 N -2.37 2.68 -0.22 -0.19 -4.23 -1.26 -0.65 115.64 109.39 3bwg s THR 133 Ca 0.15 0.55 -0.02 0.00 -1.18 0.00 0.00 61.69 61.18 3bwg s THR 133 Cb -0.04 -3.35 -0.19 0.00 1.34 0.00 0.00 72.50 70.26 3bwg s THR 133 CO 0.05 0.08 -0.07 -0.11 -0.54 0.00 0.00 174.62 174.02 3bwg n LEU 134 N 2.70 2.77 -3.57 4.79 7.94 0.23 -4.65 117.00 127.20 3bwg n LEU 134 Ca 0.08 0.01 -0.05 0.00 -1.11 0.00 0.00 56.01 54.94 3bwg n LEU 134 Cb 0.40 -0.96 -0.02 0.00 0.53 0.00 0.00 43.42 43.37 3bwg n LEU 134 CO 0.61 0.87 0.87 0.00 -1.11 0.00 0.00 177.39 178.62 3bwg s TYR 136 N -2.75 2.80 -0.02 0.00 5.04 -0.05 -1.03 117.35 121.35 3bwg s TYR 136 Ca 0.08 -1.49 0.06 0.00 -2.44 0.00 0.00 57.07 53.27 3bwg s TYR 136 Cb -0.01 -1.94 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 3bwg s TYR 136 CO -0.06 -0.74 -0.19 -2.00 -1.34 0.00 0.00 175.55 171.22 3bwg s GLU 137 N 1.26 1.59 -0.10 4.97 2.12 -0.19 -1.43 118.70 126.93 3bwg s GLU 137 Ca 0.04 -0.67 0.03 0.00 0.36 0.00 0.00 54.97 54.74 3bwg s GLU 137 Cb -0.13 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.75 3bwg s GLU 137 CO -0.10 0.38 -0.22 -1.21 -0.54 0.00 0.00 175.26 173.57 3bwg s GLU 138 N -0.35 3.03 0.06 4.30 2.02 -0.65 -1.46 118.70 125.65 3bwg s GLU 138 Ca 0.05 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3bwg s GLU 138 Cb -0.08 -2.35 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 3bwg s GLU 138 CO -0.00 0.23 -0.06 -1.54 0.02 0.00 0.00 175.26 173.91 3bwg s SER 139 N 0.23 0.80 -0.09 -0.19 1.04 -0.15 0.22 113.70 115.55 3bwg s SER 139 Ca -0.14 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3bwg s SER 139 Cb -0.17 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.07 3bwg s SER 139 CO 0.07 -0.39 -0.08 -0.31 0.98 0.00 0.00 173.24 173.51 3bwg s TYR 140 N -2.68 1.36 -0.08 5.02 2.02 0.68 -0.90 117.35 122.77 3bwg s TYR 140 Ca 0.00 -0.60 0.05 0.00 -0.37 0.00 0.00 57.07 56.15 3bwg s TYR 140 Cb -0.01 -1.11 -0.00 0.00 -0.40 0.00 0.00 41.96 40.44 3bwg s TYR 140 CO -0.04 -0.40 -0.24 0.71 -1.57 0.00 0.00 175.55 174.02 3bwg s TYR 141 N 1.33 2.42 -0.04 2.71 2.02 -0.12 -1.38 117.35 124.31 3bwg s TYR 141 Ca -0.02 -0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 55.51 3bwg s TYR 141 Cb -0.14 -1.61 -0.06 0.00 -0.40 0.00 0.00 41.96 39.75 3bwg s TYR 141 CO -0.04 -0.32 1.67 0.99 -1.57 0.00 0.00 175.55 176.28 3bwg s THR 142 N 0.14 3.50 0.04 -0.71 2.01 -1.06 -0.76 115.64 118.80 3bwg s THR 142 Ca -0.12 0.64 0.12 0.00 0.31 0.00 0.00 61.69 62.65 3bwg s THR 142 Cb -0.16 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3bwg s THR 142 CO 0.06 -0.05 1.46 0.50 -0.69 0.00 0.00 174.62 175.90 3bwg h LYS 143 N 9.48 0.00 0.00 4.92 3.64 -1.66 0.26 116.57 133.22 3bwg h LYS 143 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3bwg h LYS 143 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3bwg h LYS 143 CO 0.95 0.66 0.00 -1.13 -2.27 0.00 0.00 179.45 177.66 3bwg n SER 144 N -3.38 0.53 -0.06 4.20 3.41 -1.26 -3.27 113.62 113.78 3bwg n SER 144 Ca 0.01 0.67 -0.09 0.00 -0.26 0.00 0.00 58.87 59.20 3bwg n SER 144 Cb 0.75 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3bwg n SER 144 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3bwg n ILE 145 N -2.13 1.41 -2.76 -1.33 5.41 -0.70 -4.77 119.36 114.49 3bwg n ILE 145 Ca 0.01 0.15 -0.43 0.00 1.00 0.00 0.00 62.75 63.48 3bwg n ILE 145 Cb 0.14 -2.14 -0.02 0.00 -0.71 0.00 0.00 39.64 36.91 3bwg n ILE 145 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3bwg s VAL 146 N -2.67 4.41 -0.08 1.39 1.01 0.84 -4.88 120.40 120.42 3bwg s VAL 146 Ca -0.23 -1.45 0.18 0.00 0.00 0.00 0.00 61.98 60.48 3bwg s VAL 146 Cb 0.04 -4.94 0.12 0.00 0.00 0.00 0.00 36.38 31.60 3bwg s VAL 146 CO 0.34 -1.73 1.57 0.71 0.00 0.00 0.00 175.10 175.98 3bwg h THR 147 N 6.01 0.75 -3.93 3.92 1.35 -1.81 -3.39 112.91 115.80 3bwg h THR 147 Ca 0.22 -1.83 -0.22 0.00 -0.55 0.00 0.00 66.41 64.03 3bwg h THR 147 Cb 0.98 2.20 -0.23 0.00 -1.73 0.00 0.00 68.15 69.38 3bwg h THR 147 CO 1.28 0.39 -0.72 -0.47 -0.25 0.00 0.00 175.52 175.75 3bwg s TYR 148 N -3.19 0.33 0.07 4.73 5.04 -1.26 -5.00 117.35 118.07 3bwg s TYR 148 Ca 0.03 -0.40 -0.12 0.00 -2.44 0.00 0.00 57.07 54.14 3bwg s TYR 148 Cb 0.08 -0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.19 3bwg s TYR 148 CO 0.71 -0.12 0.26 -0.51 -1.34 0.00 0.00 175.55 174.55 3bwg s LEU 149 N -1.16 1.07 0.36 6.97 1.43 -1.26 -5.08 118.68 121.01 3bwg s LEU 149 Ca -0.11 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 3bwg s LEU 149 Cb -0.08 1.25 0.00 0.00 0.03 0.00 0.00 46.19 47.40 3bwg s LEU 149 CO -0.00 -0.67 0.48 0.54 0.23 0.00 0.00 176.35 176.92 3bwg s ASN 150 N -2.42 1.11 0.15 2.29 2.20 -1.26 -5.06 114.94 111.94 3bwg s ASN 150 Ca -0.01 -1.56 -0.19 0.00 -0.94 0.00 0.00 52.86 50.16 3bwg s ASN 150 Cb 0.01 0.68 0.03 0.00 -2.00 0.00 0.00 41.25 39.97 3bwg s ASN 150 CO -0.07 -1.32 1.68 -1.13 -2.94 0.00 0.00 177.10 173.32 3bwg h ASN 151 N 2.07 -0.32 -0.61 3.54 -0.73 -1.98 -1.45 115.58 116.11 3bwg h ASN 151 Ca -0.28 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 57.92 3bwg h ASN 151 Cb 1.24 0.20 -0.03 0.00 0.27 0.00 0.00 38.32 40.00 3bwg h ASN 151 CO 0.38 -0.12 0.15 -0.08 -0.37 0.00 0.00 177.43 177.39 3bwg h GLU 152 N -0.03 1.00 -0.34 6.67 4.81 -1.99 -2.26 114.58 122.45 3bwg h GLU 152 Ca 0.14 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3bwg h GLU 152 Cb 0.24 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3bwg h GLU 152 CO -0.30 0.89 0.05 0.82 -0.73 0.00 0.00 179.01 179.74 3bwg h ILE 153 N 0.96 1.24 0.00 2.32 2.04 -1.88 -2.86 117.51 119.33 3bwg h ILE 153 Ca 0.20 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3bwg h ILE 153 Cb 0.35 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3bwg h ILE 153 CO 0.00 0.28 0.00 0.52 0.00 0.00 0.00 178.15 178.95 3bwg n VAL 154 N -4.59 0.89 1.37 1.67 0.31 -0.58 -2.01 118.33 115.40 3bwg n VAL 154 Ca -0.02 0.32 0.14 0.00 -0.01 0.00 0.00 64.34 64.77 3bwg n VAL 154 Cb 0.22 -1.25 0.46 0.00 -0.91 0.00 0.00 33.84 32.36 3bwg n VAL 154 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3bwg n SER 155 N -2.19 1.18 0.00 4.52 3.41 -0.87 -4.87 113.62 114.80 3bwg n SER 155 Ca 0.02 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 3bwg n SER 155 Cb 0.19 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3bwg n SER 155 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3bwg n HIS 156 N -0.32 0.00 -2.64 7.33 8.25 -0.85 -3.69 115.22 123.30 3bwg n HIS 156 Ca 0.15 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.18 3bwg n HIS 156 Cb 0.34 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.43 3bwg n HIS 156 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3bwg s SER 157 N 1.00 6.92 0.19 0.41 0.15 -1.26 -4.89 113.70 116.22 3bwg s SER 157 Ca 0.00 1.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.67 3bwg s SER 157 Cb 0.00 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 3bwg s SER 157 CO 0.00 -0.90 1.50 0.40 1.20 0.00 0.00 173.24 175.44 3bwg h ILE 158 N 5.75 1.34 -0.64 6.45 2.04 -1.90 -2.96 117.51 127.59 3bwg h ILE 158 Ca -0.21 -1.90 -0.05 0.00 1.00 0.00 0.00 64.86 63.70 3bwg h ILE 158 Cb 1.06 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3bwg h ILE 158 CO 1.04 0.58 0.18 -0.26 0.00 0.00 0.00 178.15 179.69 3bwg h PHE 159 N 0.35 1.01 -0.28 1.37 0.04 -1.96 -0.64 116.94 116.85 3bwg h PHE 159 Ca -0.00 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 3bwg h PHE 159 Cb 1.14 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 3bwg h PHE 159 CO 0.04 0.82 0.05 1.25 -0.60 0.00 0.00 178.31 179.87 3bwg h HIS 160 N 0.94 0.48 -0.94 -0.55 2.76 -1.96 -1.13 115.15 114.75 3bwg h HIS 160 Ca 0.21 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3bwg h HIS 160 Cb 0.30 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 3bwg h HIS 160 CO 0.02 0.55 0.60 -0.92 -1.30 0.00 0.00 177.93 176.88 3bwg h TYR 161 N 0.27 1.11 -0.41 5.26 3.20 -1.34 0.87 116.97 125.94 3bwg h TYR 161 Ca 0.08 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.93 3bwg h TYR 161 Cb 0.33 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3bwg h TYR 161 CO 0.02 0.58 0.06 0.82 -1.64 0.00 0.00 178.16 178.00 3bwg h ILE 162 N 1.10 1.24 0.05 1.81 2.04 -0.75 0.31 117.51 123.31 3bwg h ILE 162 Ca 0.41 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 3bwg h ILE 162 Cb 0.15 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3bwg h ILE 162 CO -0.17 0.30 -0.02 0.03 0.00 0.00 0.00 178.15 178.29 3bwg h ARG 163 N 0.53 -0.06 0.12 2.37 3.08 -1.18 -1.41 114.38 117.83 3bwg h ARG 163 Ca 0.12 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 3bwg h ARG 163 Cb 0.38 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3bwg h ARG 163 CO 0.01 0.53 -0.87 0.93 -1.07 0.00 0.00 179.97 179.50 3bwg h GLU 164 N -0.92 0.26 0.27 0.04 3.07 -0.91 -1.83 114.58 114.55 3bwg h GLU 164 Ca -0.01 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.40 3bwg h GLU 164 Cb 0.62 0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3bwg h GLU 164 CO 0.01 1.21 -0.13 0.78 -1.40 0.00 0.00 179.01 179.48 3bwg h GLY 165 N -0.36 -0.38 2.00 -3.84 0.00 -0.56 -3.36 103.07 96.58 3bwg h GLY 165 Ca -0.17 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3bwg h GLY 165 CO 0.11 -0.14 0.00 1.41 0.00 0.00 0.00 176.54 177.92 3bwg h LEU 166 N -0.57 0.00 0.63 3.11 3.38 -0.91 -3.48 115.31 117.47 3bwg h LEU 166 Ca -0.04 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 3bwg h LEU 166 Cb 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 3bwg h LEU 166 CO 0.06 0.00 -0.20 0.61 0.09 0.00 0.00 178.44 179.00 3bwg n GLY 167 N 1.19 0.96 3.78 0.83 0.00 -0.69 -4.98 105.19 106.29 3bwg n GLY 167 Ca 0.05 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 3bwg n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 168 N -2.38 4.24 -0.37 0.99 1.43 -0.57 -4.98 118.68 117.04 3bwg s LEU 168 Ca 0.00 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.00 3bwg s LEU 168 Cb 0.00 -4.08 0.03 0.00 0.03 0.00 0.00 46.19 42.17 3bwg s LEU 168 CO 0.00 -0.34 0.20 -0.54 0.23 0.00 0.00 176.35 175.90 3bwg s LYS 169 N -2.27 2.82 -0.20 1.70 -0.14 -1.26 -4.34 119.74 116.05 3bwg s LYS 169 Ca 0.54 -1.08 -0.19 0.00 -1.36 0.00 0.00 55.97 53.88 3bwg s LYS 169 Cb -0.22 -3.71 -0.03 0.00 -1.68 0.00 0.00 37.83 32.19 3bwg s LYS 169 CO 0.28 -0.69 0.57 0.42 -0.76 0.00 0.00 175.35 175.16 3bwg s ILE 170 N 1.54 5.07 0.00 2.17 1.01 -1.26 -2.15 121.20 127.58 3bwg s ILE 170 Ca 0.02 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.72 3bwg s ILE 170 Cb -0.19 -3.89 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3bwg s ILE 170 CO 0.06 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3bwg n GLY 171 N 3.87 1.57 3.87 6.18 0.00 0.45 -4.74 105.19 116.38 3bwg n GLY 171 Ca -0.03 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 3bwg n GLY 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bwg s PHE 172 N 4.47 3.53 0.09 1.61 -0.12 -1.24 -4.66 117.98 121.66 3bwg s PHE 172 Ca 0.00 1.26 0.04 0.00 -0.05 0.00 0.00 56.93 58.18 3bwg s PHE 172 Cb 0.00 -2.65 -0.03 0.00 -0.63 0.00 0.00 43.02 39.71 3bwg s PHE 172 CO 0.00 -0.42 -0.11 -1.54 -0.05 0.00 0.00 175.22 173.09 3bwg s SER 173 N -3.59 1.55 -0.08 1.98 1.04 -1.26 -1.16 113.70 112.18 3bwg s SER 173 Ca 0.55 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 56.26 3bwg s SER 173 Cb -0.10 -0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 3bwg s SER 173 CO 0.41 -0.21 -0.22 -1.81 0.98 0.00 0.00 173.24 172.39 3bwg s ASP 174 N -2.28 3.31 -0.06 7.02 1.01 0.24 -4.97 116.67 120.93 3bwg s ASP 174 Ca 0.04 -0.47 0.06 0.00 0.71 0.00 0.00 52.55 52.89 3bwg s ASP 174 Cb -0.05 -1.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.73 3bwg s ASP 174 CO 0.01 0.21 -0.24 -0.76 0.21 0.00 0.00 175.17 174.60 3bwg s LEU 175 N 0.03 2.05 -0.22 1.23 1.02 -1.26 -0.66 118.68 120.87 3bwg s LEU 175 Ca -0.08 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.57 3bwg s LEU 175 Cb -0.15 -1.33 0.03 0.00 0.02 0.00 0.00 46.19 44.75 3bwg s LEU 175 CO 0.05 0.23 -0.13 -0.36 0.02 0.00 0.00 176.35 176.16 3bwg s PHE 176 N -0.12 2.98 -0.12 0.29 0.08 0.35 -4.98 117.98 116.46 3bwg s PHE 176 Ca -0.04 -1.72 -0.01 0.00 0.12 0.00 0.00 56.93 55.27 3bwg s PHE 176 Cb -0.14 -1.97 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 3bwg s PHE 176 CO 0.04 -0.78 -0.08 -0.51 -0.10 0.00 0.00 175.22 173.79 3bwg s LEU 177 N 1.27 3.05 0.02 -0.37 1.02 -1.26 -1.08 118.68 121.33 3bwg s LEU 177 Ca 0.01 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.02 3bwg s LEU 177 Cb -0.16 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.34 3bwg s LEU 177 CO -0.08 0.23 -0.07 -1.00 0.02 0.00 0.00 176.35 175.44 3bwg s HIS 178 N 0.00 0.62 -0.12 0.29 3.76 -0.55 -5.01 115.29 114.28 3bwg s HIS 178 Ca -0.01 -0.27 -0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3bwg s HIS 178 Cb -0.14 -0.38 -0.02 0.00 1.11 0.00 0.00 32.58 33.15 3bwg s HIS 178 CO 0.03 -0.03 -0.12 0.08 -0.85 0.00 0.00 174.74 173.85 3bwg s VAL 179 N -0.66 3.18 0.00 -0.90 1.01 -1.26 -0.20 120.40 121.57 3bwg s VAL 179 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.33 3bwg s VAL 179 Cb -0.06 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3bwg s VAL 179 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 3bwg n GLY 180 N 3.37 3.77 3.72 4.51 0.00 -0.62 -5.00 105.19 114.94 3bwg n GLY 180 Ca -0.18 -1.16 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 3bwg n GLY 180 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bwg s GLN 181 N 0.11 3.03 0.27 1.61 -0.21 -1.26 -0.67 119.66 122.54 3bwg s GLN 181 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.67 3bwg s GLN 181 Cb 0.00 -2.84 -0.10 0.00 1.00 0.00 0.00 33.01 31.07 3bwg s GLN 181 CO 0.00 0.69 1.41 -0.51 -2.12 0.00 0.00 175.29 174.77 3bwg s LEU 182 N -1.13 4.39 0.75 2.90 1.43 0.14 -4.78 118.68 122.37 3bwg s LEU 182 Ca 0.16 2.69 -0.03 0.00 -1.03 0.00 0.00 54.13 55.92 3bwg s LEU 182 Cb -0.12 -3.63 0.13 0.00 0.03 0.00 0.00 46.19 42.60 3bwg s LEU 182 CO 0.05 -0.67 1.03 0.54 0.23 0.00 0.00 176.35 177.53 3bwg s ASN 183 N 0.15 4.23 0.13 2.29 2.20 -1.26 -0.48 114.94 122.20 3bwg s ASN 183 Ca 0.57 -0.24 -0.14 0.00 -0.94 0.00 0.00 52.86 52.11 3bwg s ASN 183 Cb -0.42 -0.12 -0.03 0.00 -2.00 0.00 0.00 41.25 38.69 3bwg s ASN 183 CO 0.46 -1.94 1.53 -0.33 -2.94 0.00 0.00 177.10 173.88 3bwg h GLU 184 N -0.66 0.78 -0.47 3.55 4.39 -1.97 0.04 114.58 120.24 3bwg h GLU 184 Ca -0.38 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 3bwg h GLU 184 Cb 1.27 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 3bwg h GLU 184 CO 0.41 0.92 0.28 1.49 -1.16 0.00 0.00 179.01 180.95 3bwg h GLU 185 N 0.60 0.65 -0.22 2.33 4.81 -1.99 -0.18 114.58 120.58 3bwg h GLU 185 Ca 0.10 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 3bwg h GLU 185 Cb 0.63 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3bwg h GLU 185 CO 0.04 0.48 0.01 0.93 -0.73 0.00 0.00 179.01 179.75 3bwg h GLU 186 N 0.63 0.38 -0.04 1.92 5.08 -1.92 -1.93 114.58 118.69 3bwg h GLU 186 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bwg h GLU 186 Cb 0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3bwg h GLU 186 CO -0.03 0.55 -0.03 0.00 -1.00 0.00 0.00 179.01 178.51 3bwg h ALA 187 N 0.81 1.88 0.04 3.43 0.00 -0.88 -1.66 119.26 122.88 3bwg h ALA 187 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bwg h ALA 187 Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3bwg h ALA 187 CO 0.01 0.10 -0.02 1.49 0.00 0.00 0.00 179.25 180.83 3bwg h GLU 188 N 0.06 -0.05 -1.00 0.00 4.81 -0.76 0.01 114.58 117.65 3bwg h GLU 188 Ca 0.02 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.44 3bwg h GLU 188 Cb 0.09 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 29.38 3bwg h GLU 188 CO 0.00 0.62 0.61 1.88 -0.73 0.00 0.00 179.01 181.40 3bwg h TYR 189 N -0.85 1.04 0.00 0.92 0.05 -1.28 -2.61 116.97 114.24 3bwg h TYR 189 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 3bwg h TYR 189 Cb 0.69 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3bwg h TYR 189 CO 0.17 0.25 -0.36 1.28 -1.05 0.00 0.00 178.16 178.45 3bwg n LEU 190 N -4.73 0.72 -0.82 3.88 4.77 -0.63 -4.94 117.00 115.25 3bwg n LEU 190 Ca 0.23 0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 56.51 3bwg n LEU 190 Cb 0.57 -0.25 -0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3bwg n LEU 190 CO 0.22 -0.10 -0.07 0.61 -1.33 0.00 0.00 177.39 176.73 3bwg n GLY 191 N 1.33 0.13 3.61 -0.72 0.00 -0.62 -4.67 105.19 104.25 3bwg n GLY 191 Ca 0.04 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 3bwg n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 192 N -1.99 2.83 0.16 0.99 1.43 -0.11 -5.04 118.68 116.94 3bwg s LEU 192 Ca 0.02 -1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 51.45 3bwg s LEU 192 Cb -0.01 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 3bwg s LEU 192 CO 0.02 -0.45 0.97 -1.61 0.23 0.00 0.00 176.35 175.51 3bwg s GLU 193 N -3.72 4.74 0.27 1.70 2.02 -1.26 -4.39 118.70 118.06 3bwg s GLU 193 Ca 0.35 1.49 -0.30 0.00 0.02 0.00 0.00 54.97 56.53 3bwg s GLU 193 Cb 0.10 -3.34 -0.11 0.00 0.10 0.00 0.00 34.13 30.88 3bwg s GLU 193 CO 0.18 0.29 1.50 0.00 0.02 0.00 0.00 175.26 177.25 3bwg s ALA 194 N -0.39 3.67 0.00 5.21 0.00 -1.26 -2.63 121.76 126.36 3bwg s ALA 194 Ca 0.45 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3bwg s ALA 194 Cb -0.25 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3bwg s ALA 194 CO 0.31 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3bwg n GLY 195 N 2.09 1.28 3.76 0.00 0.00 0.36 -4.94 105.19 107.76 3bwg n GLY 195 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3bwg n GLY 195 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bwg s LEU 196 N 0.00 2.58 0.53 0.99 1.43 -1.08 -4.42 118.68 118.72 3bwg s LEU 196 Ca 0.00 1.49 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 3bwg s LEU 196 Cb 0.00 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 42.09 3bwg s LEU 196 CO 0.00 -2.20 1.11 -2.84 0.23 0.00 0.00 176.35 172.65 3bwg s PRO 197 N -5.01 3.45 -0.03 1.29 0.02 -1.26 0.23 135.00 133.68 3bwg s PRO 197 Ca 0.62 1.56 -0.06 0.00 0.02 0.00 0.00 61.00 63.14 3bwg s PRO 197 Cb -0.16 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.34 3bwg s PRO 197 CO 0.56 -0.76 0.14 -1.59 -0.33 0.00 0.00 177.00 175.01 3bwg s LYS 198 N -3.28 0.28 -0.09 5.54 -2.85 0.16 -4.43 119.74 115.07 3bwg s LYS 198 Ca 0.72 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 55.36 3bwg s LYS 198 Cb -0.22 0.12 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 3bwg s LYS 198 CO 0.26 -0.05 1.08 -1.17 0.10 0.00 0.00 175.35 175.57 3bwg s LEU 199 N -0.46 4.26 -0.20 2.77 2.96 -1.26 -1.59 118.68 125.15 3bwg s LEU 199 Ca -0.05 1.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.51 3bwg s LEU 199 Cb -0.04 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.13 3bwg s LEU 199 CO 0.01 -0.50 -0.18 -0.47 -1.32 0.00 0.00 176.35 173.88 3bwg s TYR 200 N 2.12 2.90 -0.12 5.38 5.04 0.72 -1.48 117.35 131.90 3bwg s TYR 200 Ca 0.51 -1.82 0.03 0.00 -2.44 0.00 0.00 57.07 53.35 3bwg s TYR 200 Cb -0.21 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.19 3bwg s TYR 200 CO 0.19 -0.83 -0.22 0.42 -1.34 0.00 0.00 175.55 173.78 3bwg s ILE 201 N 1.24 2.16 -0.22 3.14 1.01 0.78 -1.48 121.20 127.84 3bwg s ILE 201 Ca 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 3bwg s ILE 201 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3bwg s ILE 201 CO -0.11 0.55 0.08 -1.61 0.00 0.00 0.00 174.94 173.85 3bwg s GLU 202 N 0.58 3.85 -0.00 2.79 2.02 -0.24 -0.75 118.70 126.94 3bwg s GLU 202 Ca -0.13 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 54.55 3bwg s GLU 202 Cb -0.17 -3.31 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3bwg s GLU 202 CO 0.04 0.05 -0.25 -1.12 0.02 0.00 0.00 175.26 173.99 3bwg s SER 203 N 1.00 2.98 -0.15 -0.19 0.01 -0.31 -0.49 113.70 116.56 3bwg s SER 203 Ca 0.04 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3bwg s SER 203 Cb -0.14 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.79 3bwg s SER 203 CO 0.03 0.29 -0.19 -0.63 0.41 0.00 0.00 173.24 173.15 3bwg s ILE 204 N -0.65 1.89 -0.11 1.44 -1.09 0.17 -1.51 121.20 121.34 3bwg s ILE 204 Ca 0.10 -0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 57.63 3bwg s ILE 204 Cb -0.10 -1.70 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 3bwg s ILE 204 CO -0.00 0.52 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.85 3bwg s PHE 205 N 1.05 3.09 0.09 3.97 0.08 -0.26 -0.60 117.98 125.40 3bwg s PHE 205 Ca -0.02 0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.13 3bwg s PHE 205 Cb -0.14 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 3bwg s PHE 205 CO -0.06 0.27 -0.24 -1.01 -0.10 0.00 0.00 175.22 174.08 3bwg s HIS 206 N -0.40 2.11 1.08 0.36 3.76 -0.31 -1.46 115.29 120.43 3bwg s HIS 206 Ca 0.07 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.46 3bwg s HIS 206 Cb -0.12 -1.20 0.24 0.00 1.11 0.00 0.00 32.58 32.61 3bwg s HIS 206 CO 0.02 0.21 1.06 -0.51 -0.85 0.00 0.00 174.74 174.68 3bwg s LEU 207 N -1.67 1.21 0.52 0.89 1.43 0.05 -0.41 118.68 120.70 3bwg s LEU 207 Ca 0.11 1.31 0.19 0.00 -1.03 0.00 0.00 54.13 54.71 3bwg s LEU 207 Cb -0.10 -3.36 1.34 0.00 0.03 0.00 0.00 46.19 44.10 3bwg s LEU 207 CO 0.04 -3.65 2.13 0.71 0.23 0.00 0.00 176.35 175.81 3bwg h THR 208 N -2.25 0.90 0.00 5.49 1.35 -1.72 0.22 112.91 116.90 3bwg h THR 208 Ca -0.58 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3bwg h THR 208 Cb 1.33 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3bwg h THR 208 CO 0.55 0.05 0.00 -0.46 -0.25 0.00 0.00 175.52 175.40 3bwg n ASN 209 N -4.29 0.00 0.00 5.36 6.94 -1.26 -4.88 115.26 117.13 3bwg n ASN 209 Ca -0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 54.58 54.50 3bwg n ASN 209 Cb 0.13 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 3bwg n ASN 209 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bwg n GLY 210 N 0.25 0.73 3.68 4.83 0.00 0.79 -5.03 105.19 110.44 3bwg n GLY 210 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3bwg n GLY 210 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bwg s GLN 211 N -0.24 4.32 0.52 1.61 0.74 -1.26 -4.76 119.66 120.59 3bwg s GLN 211 Ca 0.00 1.74 -0.22 0.00 0.05 0.00 0.00 55.36 56.93 3bwg s GLN 211 Cb 0.00 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 3bwg s GLN 211 CO 0.00 -0.50 1.35 -2.14 -0.55 0.00 0.00 175.29 173.44 3bwg s PRO 212 N 2.40 3.31 0.00 1.67 0.02 -1.26 -0.77 135.00 140.36 3bwg s PRO 212 Ca 0.58 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.81 3bwg s PRO 212 Cb -0.26 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 31.92 3bwg s PRO 212 CO 0.22 -1.05 0.00 1.97 -0.33 0.00 0.00 177.00 177.81 3bwg n PHE 213 N -0.82 0.00 -3.73 6.54 1.16 -0.54 -4.84 117.46 115.23 3bwg n PHE 213 Ca 0.09 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.52 3bwg n PHE 213 Cb 0.45 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.16 3bwg n PHE 213 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3bwg s ASP 214 N -0.61 0.24 -0.14 5.98 2.15 -1.16 -2.58 116.67 120.55 3bwg s ASP 214 Ca 0.00 0.18 0.02 0.00 0.43 0.00 0.00 52.55 53.18 3bwg s ASP 214 Cb 0.00 0.07 0.01 0.00 -0.30 0.00 0.00 42.92 42.70 3bwg s ASP 214 CO 0.00 -0.17 -0.20 -0.47 -0.17 0.00 0.00 175.17 174.16 3bwg s TYR 215 N 1.43 2.55 0.04 -5.34 5.04 -0.48 -1.10 117.35 119.50 3bwg s TYR 215 Ca -0.06 -1.34 0.05 0.00 -2.44 0.00 0.00 57.07 53.29 3bwg s TYR 215 Cb -0.12 -1.76 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 3bwg s TYR 215 CO -0.05 -0.64 -0.16 -1.54 -1.34 0.00 0.00 175.55 171.83 3bwg s SER 216 N 1.00 1.87 -0.15 4.32 1.04 -0.57 -0.23 113.70 120.98 3bwg s SER 216 Ca -0.03 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 55.92 3bwg s SER 216 Cb -0.15 -0.12 0.02 0.00 0.10 0.00 0.00 66.02 65.87 3bwg s SER 216 CO -0.05 0.05 -0.17 -0.54 0.98 0.00 0.00 173.24 173.51 3bwg s LYS 217 N -1.21 2.60 -0.03 4.02 1.02 0.13 -1.16 119.74 125.11 3bwg s LYS 217 Ca 0.03 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.34 3bwg s LYS 217 Cb -0.08 -2.26 0.02 0.00 -0.52 0.00 0.00 37.83 34.99 3bwg s LYS 217 CO 0.02 -0.17 -0.01 0.42 -0.92 0.00 0.00 175.35 174.69 3bwg s ILE 218 N 1.25 0.23 -0.24 2.17 1.01 0.07 -1.63 121.20 124.06 3bwg s ILE 218 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 3bwg s ILE 218 Cb -0.14 -0.31 0.02 0.00 0.01 0.00 0.00 42.46 42.05 3bwg s ILE 218 CO -0.09 0.15 -0.06 -0.44 0.00 0.00 0.00 174.94 174.51 3bwg s SER 219 N 0.92 4.30 0.33 3.58 0.01 -0.51 -0.16 113.70 122.18 3bwg s SER 219 Ca -0.10 -0.80 -0.10 0.00 1.31 0.00 0.00 55.95 56.27 3bwg s SER 219 Cb -0.13 -1.67 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 3bwg s SER 219 CO -0.01 -0.11 0.67 -0.31 0.41 0.00 0.00 173.24 173.89 3bwg s TYR 220 N 1.35 3.45 -0.40 2.43 2.02 -0.55 -0.87 117.35 124.78 3bwg s TYR 220 Ca 0.01 0.94 -0.28 0.00 -0.37 0.00 0.00 57.07 57.37 3bwg s TYR 220 Cb -0.16 -2.34 0.02 0.00 -0.40 0.00 0.00 41.96 39.08 3bwg s TYR 220 CO -0.04 0.06 1.07 1.21 -1.57 0.00 0.00 175.55 176.28 3bwg s ASN 221 N -2.88 6.75 0.25 2.29 3.84 -0.49 -4.31 114.94 120.38 3bwg s ASN 221 Ca 0.49 0.69 0.20 0.00 0.21 0.00 0.00 52.86 54.45 3bwg s ASN 221 Cb -0.11 -2.53 0.96 0.00 -0.55 0.00 0.00 41.25 39.03 3bwg s ASN 221 CO 0.27 -1.04 1.61 0.00 -2.79 0.00 0.00 177.10 175.16 3bwg n TYR 222 N 7.26 0.66 0.18 0.43 0.18 -1.26 -2.01 117.16 122.59 3bwg n TYR 222 Ca 0.11 0.30 0.11 0.00 1.88 0.00 0.00 57.90 60.30 3bwg n TYR 222 Cb 0.48 -0.98 -0.08 0.00 -0.38 0.00 0.00 39.34 38.37 3bwg n TYR 222 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3bwg n GLU 223 N -2.14 0.54 -0.03 -3.48 1.02 -1.26 -4.30 120.64 111.00 3bwg n GLU 223 Ca 0.00 -0.06 0.03 0.00 -0.02 0.00 0.00 57.16 57.11 3bwg n GLU 223 Cb 0.12 -1.62 0.04 0.00 -0.02 0.00 0.00 31.44 29.96 3bwg n GLU 223 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3bwg n GLN 224 N -2.29 0.77 -4.03 3.49 1.13 -0.85 -5.03 117.38 110.57 3bwg n GLN 224 Ca -0.01 -1.14 -0.11 0.00 -1.94 0.00 0.00 57.00 53.79 3bwg n GLN 224 Cb 0.53 -1.13 -0.11 0.00 0.11 0.00 0.00 30.24 29.64 3bwg n GLN 224 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3bwg s SER 225 N -0.65 0.60 -0.10 1.08 1.04 -1.04 -4.99 113.70 109.63 3bwg s SER 225 Ca 0.09 -0.55 -0.30 0.00 0.48 0.00 0.00 55.95 55.67 3bwg s SER 225 Cb 0.06 0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.35 3bwg s SER 225 CO 0.08 -0.26 0.88 0.00 0.98 0.00 0.00 173.24 174.92 3bwg s GLN 226 N -1.63 0.78 -0.01 4.02 0.00 -1.26 -4.83 119.66 116.73 3bwg s GLN 226 Ca -0.12 0.13 0.02 0.00 -0.00 0.00 0.00 55.36 55.40 3bwg s GLN 226 Cb -0.09 0.37 -0.00 0.00 0.00 0.00 0.00 33.01 33.28 3bwg s GLN 226 CO -0.01 -0.26 -0.08 -0.06 0.00 0.00 0.00 175.29 174.89 3bwg s PHE 227 N -1.37 0.74 -0.09 9.60 0.08 -1.26 -0.51 117.98 125.16 3bwg s PHE 227 Ca -0.04 -0.15 -0.00 0.00 0.12 0.00 0.00 56.93 56.85 3bwg s PHE 227 Cb -0.00 -0.50 -0.03 0.00 -0.57 0.00 0.00 43.02 41.92 3bwg s PHE 227 CO 0.03 -0.04 -0.06 0.54 -0.10 0.00 0.00 175.22 175.60 3bwg s VAL 228 N -0.05 3.80 -0.00 -0.44 0.11 0.17 -4.83 120.40 119.16 3bwg s VAL 228 Ca 0.01 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3bwg s VAL 228 Cb -0.05 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.22 3bwg s VAL 228 CO -0.00 0.58 -0.01 0.54 -3.33 0.00 0.00 175.10 172.88 3bwg s VAL 229 N -0.57 0.07 -0.03 2.04 0.11 -1.26 -2.49 120.40 118.26 3bwg s VAL 229 Ca 0.09 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 3bwg s VAL 229 Cb -0.12 -0.07 -0.02 0.00 -1.53 0.00 0.00 36.38 34.64 3bwg s VAL 229 CO 0.02 0.03 -0.24 -1.10 -3.33 0.00 0.00 175.10 170.47 3bwg s GLN 230 N 0.07 2.25 -0.01 1.54 -0.21 -1.26 -5.12 119.66 116.93 3bwg s GLN 230 Ca -0.00 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.49 3bwg s GLN 230 Cb -0.01 -2.11 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 3bwg s GLN 230 CO -0.00 0.53 0.02 0.00 -2.12 0.00 0.00 175.29 173.72 3bwg s ALA 231 N -0.53 3.34 -0.12 6.09 0.00 -1.26 -5.05 121.76 124.23 3bwg s ALA 231 Ca 0.07 -0.93 0.18 0.00 0.00 0.00 0.00 51.96 51.28 3bwg s ALA 231 Cb -0.11 -1.40 -0.21 0.00 0.00 0.00 0.00 23.12 21.40 3bwg s ALA 231 CO 0.00 0.65 0.52 0.09 0.00 0.00 0.00 175.76 177.02 3bwg n ASN 232 N 1.39 0.45 0.00 0.00 3.02 -1.26 -5.23 115.26 113.64 3bwg n ASN 232 Ca -0.14 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3bwg n ASN 232 Cb 0.53 0.70 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 3bwg n ASN 232 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44