#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m9i n SER 8 N 0.00 0.00 -0.12 0.00 2.88 -1.26 -1.93 113.62 113.19 3m9i n SER 8 Ca 0.00 -0.94 -0.22 0.00 -1.33 0.00 0.00 58.87 56.38 3m9i n SER 8 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 3m9i n SER 8 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3m9i n PHE 9 N -0.76 0.23 0.27 0.66 7.35 -1.26 -3.54 117.46 120.41 3m9i n PHE 9 Ca 0.08 0.10 0.16 0.00 -0.76 0.00 0.00 57.45 57.03 3m9i n PHE 9 Cb 0.04 -0.89 0.63 0.00 0.35 0.00 0.00 39.48 39.61 3m9i n PHE 9 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 3m9i h TRP 10 N -1.00 0.00 0.01 -5.13 4.06 -1.93 1.30 115.95 113.25 3m9i h TRP 10 Ca -0.44 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.32 3m9i h TRP 10 Cb 1.35 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.49 3m9i h TRP 10 CO -0.15 0.03 -0.87 -0.09 -3.56 0.00 0.00 178.44 173.81 3m9i h ARG 11 N 0.00 0.07 0.22 0.49 2.43 -1.59 0.18 114.38 116.19 3m9i h ARG 11 Ca -0.00 -0.08 -0.32 0.00 -0.81 0.00 0.00 59.98 58.77 3m9i h ARG 11 Cb 0.57 0.02 0.04 0.00 -0.42 0.00 0.00 29.97 30.18 3m9i h ARG 11 CO 0.00 0.89 -1.40 0.00 -1.51 0.00 0.00 179.97 177.96 3m9i h ALA 12 N 1.08 -0.13 -0.21 2.80 0.00 -0.82 -2.09 119.26 119.88 3m9i h ALA 12 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 54.91 53.90 3m9i h ALA 12 Cb 1.52 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3m9i h ALA 12 CO 0.12 0.67 -0.51 0.82 0.00 0.00 0.00 179.25 180.35 3m9i h ILE 13 N 0.15 1.31 0.20 0.00 1.08 0.15 -2.06 117.51 118.34 3m9i h ILE 13 Ca -0.24 -1.73 -0.01 0.00 -0.39 0.00 0.00 64.86 62.49 3m9i h ILE 13 Cb 2.09 1.70 0.00 0.00 -3.07 0.00 0.00 36.82 37.54 3m9i h ILE 13 CO 0.26 0.54 -0.10 0.15 -0.69 0.00 0.00 178.15 178.32 3m9i h PHE 14 N 0.46 -0.25 -0.67 1.37 3.57 -0.69 -2.13 116.94 118.59 3m9i h PHE 14 Ca 0.02 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.63 3m9i h PHE 14 Cb 1.05 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 3m9i h PHE 14 CO 0.05 -0.09 0.22 0.00 -2.23 0.00 0.00 178.31 176.25 3m9i h ALA 15 N 0.42 0.87 -0.50 2.41 0.00 -1.29 0.24 119.26 121.40 3m9i h ALA 15 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3m9i h ALA 15 Cb 0.28 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3m9i h ALA 15 CO 0.05 -0.24 0.23 0.93 0.00 0.00 0.00 179.25 180.22 3m9i h GLU 16 N 0.36 0.71 -0.15 0.00 4.39 -1.15 0.52 114.58 119.26 3m9i h GLU 16 Ca 0.35 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.91 3m9i h GLU 16 Cb 0.51 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3m9i h GLU 16 CO -0.39 0.56 -0.13 0.35 -1.16 0.00 0.00 179.01 178.24 3m9i h PHE 17 N 0.71 0.42 -0.15 4.33 3.04 -0.35 -1.88 116.94 123.05 3m9i h PHE 17 Ca 0.18 -0.12 -0.19 0.00 3.98 0.00 0.00 57.97 61.82 3m9i h PHE 17 Cb 0.09 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 3m9i h PHE 17 CO 0.01 0.72 -0.67 0.74 -2.02 0.00 0.00 178.31 177.09 3m9i h PHE 18 N -0.00 0.78 -0.00 0.41 0.04 -0.74 -0.68 116.94 116.74 3m9i h PHE 18 Ca 0.03 -0.32 -0.13 0.00 2.80 0.00 0.00 57.97 60.35 3m9i h PHE 18 Cb 0.64 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 3m9i h PHE 18 CO 0.08 1.09 -0.60 0.00 -0.60 0.00 0.00 178.31 178.29 3m9i h ALA 19 N 0.82 1.01 0.05 2.45 0.00 -0.02 -1.27 119.26 122.30 3m9i h ALA 19 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 54.91 54.09 3m9i h ALA 19 Cb 1.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3m9i h ALA 19 CO 0.13 0.74 -1.07 1.15 0.00 0.00 0.00 179.25 180.20 3m9i h THR 20 N 0.01 1.38 0.05 0.00 2.02 -1.30 -1.29 112.91 113.77 3m9i h THR 20 Ca -0.01 -2.53 0.02 0.00 0.77 0.00 0.00 66.41 64.67 3m9i h THR 20 Cb 1.06 2.56 -0.04 0.00 -1.74 0.00 0.00 68.15 69.99 3m9i h THR 20 CO 0.08 0.76 -0.23 0.25 0.37 0.00 0.00 175.52 176.74 3m9i h LEU 21 N 0.23 -0.68 -1.14 2.58 6.46 -0.83 -0.02 115.31 121.91 3m9i h LEU 21 Ca -0.12 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.69 3m9i h LEU 21 Cb 1.73 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 41.91 3m9i h LEU 21 CO 0.19 -0.31 0.17 -0.26 -0.62 0.00 0.00 178.44 177.61 3m9i h PHE 22 N -0.39 0.78 -0.80 1.25 0.05 -1.26 0.24 116.94 116.80 3m9i h PHE 22 Ca 0.05 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.74 3m9i h PHE 22 Cb 0.45 -0.24 -0.04 0.00 2.00 0.00 0.00 35.95 38.13 3m9i h PHE 22 CO -0.25 0.64 0.32 -0.92 -0.18 0.00 0.00 178.31 177.92 3m9i h TYR 23 N 0.76 1.22 0.07 -0.55 3.20 -0.58 0.24 116.97 121.33 3m9i h TYR 23 Ca 0.18 -0.09 -0.27 0.00 3.14 0.00 0.00 58.73 61.69 3m9i h TYR 23 Cb 0.22 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3m9i h TYR 23 CO 0.01 0.92 -1.32 0.28 -1.64 0.00 0.00 178.16 176.41 3m9i h VAL 24 N 1.17 1.37 0.54 1.81 2.07 -0.76 -0.77 116.25 121.69 3m9i h VAL 24 Ca 0.27 -3.04 -0.03 0.00 0.82 0.00 0.00 66.70 64.72 3m9i h VAL 24 Cb 0.21 2.79 0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3m9i h VAL 24 CO -0.02 0.85 -0.26 0.15 0.02 0.00 0.00 177.57 178.30 3m9i h PHE 25 N 0.04 -0.67 0.58 1.57 3.57 -0.77 -0.95 116.94 120.31 3m9i h PHE 25 Ca -0.15 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.30 3m9i h PHE 25 Cb 1.93 0.22 0.01 0.00 2.79 0.00 0.00 35.95 40.90 3m9i h PHE 25 CO 0.04 -0.35 -0.28 0.74 -2.23 0.00 0.00 178.31 176.22 3m9i h PHE 26 N -0.92 -0.73 0.18 0.41 0.04 -0.64 0.62 116.94 115.91 3m9i h PHE 26 Ca -0.07 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.69 3m9i h PHE 26 Cb 0.62 0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.97 3m9i h PHE 26 CO -0.00 -0.43 -0.43 0.78 -0.60 0.00 0.00 178.31 177.62 3m9i h GLY 27 N -1.19 -0.91 1.03 -1.45 0.00 -1.26 0.12 103.07 99.41 3m9i h GLY 27 Ca -0.08 0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 3m9i h GLY 27 CO 0.13 -0.28 0.44 1.41 0.00 0.00 0.00 176.54 178.24 3m9i h LEU 28 N -0.71 1.09 -0.49 3.11 4.07 -1.28 -2.49 115.31 118.62 3m9i h LEU 28 Ca 0.01 -0.12 0.09 0.00 0.08 0.00 0.00 57.88 57.94 3m9i h LEU 28 Cb 0.71 -0.28 -0.08 0.00 1.08 0.00 0.00 40.66 42.09 3m9i h LEU 28 CO -0.21 0.90 0.01 1.23 -1.08 0.00 0.00 178.44 179.29 3m9i h GLY 29 N 1.21 0.51 1.85 0.83 0.00 0.10 -1.60 103.07 105.97 3m9i h GLY 29 Ca 0.30 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3m9i h GLY 29 CO -0.04 -0.13 -0.12 0.00 0.00 0.00 0.00 176.54 176.25 3m9i h ALA 30 N 1.43 1.58 0.00 3.60 0.00 -0.36 -2.20 119.26 123.31 3m9i h ALA 30 Ca 0.25 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m9i h ALA 30 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3m9i h ALA 30 CO -0.40 0.30 0.00 0.43 0.00 0.00 0.00 179.25 179.58 3m9i n SER 31 N -4.31 0.00 -2.59 0.00 7.64 -0.62 -4.13 113.62 109.62 3m9i n SER 31 Ca -0.01 -0.98 -0.23 0.00 1.01 0.00 0.00 58.87 58.66 3m9i n SER 31 Cb 0.25 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.34 3m9i n SER 31 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3m9i n LEU 32 N -0.99 6.45 -0.80 -3.43 4.32 -0.83 -4.74 117.00 116.98 3m9i n LEU 32 Ca 0.23 -3.55 -0.05 0.00 -0.02 0.00 0.00 56.01 52.62 3m9i n LEU 32 Cb 0.11 -1.42 -0.04 0.00 -1.62 0.00 0.00 43.42 40.45 3m9i n LEU 32 CO 0.17 1.73 0.38 0.54 -1.22 0.00 0.00 177.39 178.99 3m9i n ARG 33 N 3.02 0.00 0.00 3.23 5.12 -1.26 -4.82 116.66 121.95 3m9i n ARG 33 Ca 0.56 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 3m9i n ARG 33 Cb 0.58 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 3m9i n ARG 33 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 3m9i n TRP 34 N 1.20 0.00 -2.63 -1.55 7.02 -1.26 -4.71 117.44 115.51 3m9i n TRP 34 Ca 0.12 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.49 3m9i n TRP 34 Cb 0.02 -0.19 0.03 0.00 -2.42 0.00 0.00 31.31 28.75 3m9i n TRP 34 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3m9i n ALA 35 N -1.08 3.61 -0.72 6.99 0.00 -1.26 -5.00 120.51 123.05 3m9i n ALA 35 Ca 0.00 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.15 3m9i n ALA 35 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3m9i n ALA 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3m9i n PRO 36 N -0.25 0.00 0.00 0.00 -0.04 -1.26 -5.06 135.00 128.39 3m9i n PRO 36 Ca 0.15 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 3m9i n PRO 36 Cb 0.80 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 3m9i n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m9i n GLY 37 N 0.21 0.34 3.92 0.55 0.00 -1.26 -4.94 105.19 104.01 3m9i n GLY 37 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3m9i n GLY 37 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3m9i s PRO 38 N 0.00 3.55 -1.37 1.61 0.04 -1.26 -4.18 135.00 133.39 3m9i s PRO 38 Ca 0.00 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3m9i s PRO 38 Cb 0.00 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.05 3m9i s PRO 38 CO 0.00 -0.05 0.00 1.28 0.04 0.00 0.00 177.00 178.27 3m9i n LEU 39 N -1.94 -1.01 0.22 -3.56 4.77 -1.26 -4.74 117.00 109.49 3m9i n LEU 39 Ca -0.01 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.39 3m9i n LEU 39 Cb 0.55 -2.04 0.61 0.00 -2.33 0.00 0.00 43.42 40.21 3m9i n LEU 39 CO 0.51 -0.61 0.92 1.12 -1.33 0.00 0.00 177.39 178.00 3m9i h HIS 40 N 0.00 0.00 -0.32 -1.77 2.07 -1.93 0.12 115.15 113.32 3m9i h HIS 40 Ca -0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.24 3m9i h HIS 40 Cb 0.92 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.88 3m9i h HIS 40 CO 0.42 0.00 0.21 0.28 -3.07 0.00 0.00 177.93 175.77 3m9i h VAL 41 N 0.00 1.08 0.01 6.12 2.07 -1.93 -1.72 116.25 121.89 3m9i h VAL 41 Ca 0.00 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3m9i h VAL 41 Cb 0.42 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3m9i h VAL 41 CO 0.00 0.08 -0.00 0.25 0.02 0.00 0.00 177.57 177.92 3m9i h LEU 42 N 0.44 -0.01 0.70 2.57 6.46 -1.13 -0.40 115.31 123.94 3m9i h LEU 42 Ca 0.12 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.75 3m9i h LEU 42 Cb -0.05 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3m9i h LEU 42 CO -0.03 0.09 -0.33 -0.61 -0.62 0.00 0.00 178.44 176.94 3m9i h GLN 43 N -0.11 -0.90 -0.70 1.25 4.15 -1.56 -2.02 115.11 115.22 3m9i h GLN 43 Ca -0.00 0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.57 3m9i h GLN 43 Cb 0.10 0.21 -0.07 0.00 0.21 0.00 0.00 27.48 27.93 3m9i h GLN 43 CO 0.00 -0.58 0.34 0.28 -1.93 0.00 0.00 178.83 176.94 3m9i h VAL 44 N -1.03 0.84 -0.13 2.39 2.07 -1.34 0.29 116.25 119.34 3m9i h VAL 44 Ca -0.10 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3m9i h VAL 44 Cb 0.74 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3m9i h VAL 44 CO 0.16 0.11 0.05 0.00 0.02 0.00 0.00 177.57 177.90 3m9i h ALA 45 N 1.43 0.14 -0.30 1.67 0.00 -1.04 0.74 119.26 121.89 3m9i h ALA 45 Ca 0.34 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3m9i h ALA 45 Cb 0.37 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3m9i h ALA 45 CO -0.27 -0.40 0.10 -0.07 0.00 0.00 0.00 179.25 178.60 3m9i h LEU 46 N 0.11 0.39 0.00 0.00 3.38 -0.58 0.17 115.31 118.77 3m9i h LEU 46 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3m9i h LEU 46 Cb 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3m9i h LEU 46 CO -0.05 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3m9i n ALA 47 N -2.48 -0.43 -0.24 1.53 0.00 0.96 0.18 120.51 120.03 3m9i n ALA 47 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 3m9i n ALA 47 Cb 0.15 0.04 0.16 0.00 0.00 0.00 0.00 19.45 19.80 3m9i n ALA 47 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3m9i h PHE 48 N 0.00 0.17 -0.90 0.00 -1.00 -0.78 0.27 116.94 114.70 3m9i h PHE 48 Ca 0.00 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.86 3m9i h PHE 48 Cb 0.00 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 39.54 3m9i h PHE 48 CO 0.12 -0.11 0.58 0.78 -1.61 0.00 0.00 178.31 178.07 3m9i h GLY 49 N 0.22 1.32 1.54 -1.45 0.00 -0.52 0.00 103.07 104.19 3m9i h GLY 49 Ca 0.39 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3m9i h GLY 49 CO -0.52 0.37 -0.63 1.41 0.00 0.00 0.00 176.54 177.17 3m9i h LEU 50 N 1.12 0.00 -0.62 3.11 3.38 0.73 -2.30 115.31 120.73 3m9i h LEU 50 Ca 0.36 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.22 3m9i h LEU 50 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3m9i h LEU 50 CO -0.12 0.20 -0.15 0.00 0.09 0.00 0.00 178.44 178.46 3m9i h ALA 51 N 1.80 0.82 0.18 1.53 0.00 0.13 -1.42 119.26 122.29 3m9i h ALA 51 Ca -0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3m9i h ALA 51 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3m9i h ALA 51 CO 0.02 0.65 -0.09 1.25 0.00 0.00 0.00 179.25 181.09 3m9i h LEU 52 N 0.82 -0.20 -0.80 0.00 5.85 -0.99 -1.23 115.31 118.75 3m9i h LEU 52 Ca 0.12 -0.32 0.14 0.00 0.84 0.00 0.00 57.88 58.66 3m9i h LEU 52 Cb 0.70 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 3m9i h LEU 52 CO 0.05 0.28 0.37 0.00 -0.34 0.00 0.00 178.44 178.81 3m9i h ALA 53 N -0.14 1.16 0.05 1.25 0.00 -1.42 0.73 119.26 120.90 3m9i h ALA 53 Ca -0.02 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m9i h ALA 53 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3m9i h ALA 53 CO 0.04 -0.13 -0.03 1.15 0.00 0.00 0.00 179.25 180.28 3m9i h THR 54 N 0.55 1.18 -0.50 0.00 2.02 -1.30 -1.59 112.91 113.27 3m9i h THR 54 Ca 0.43 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.85 3m9i h THR 54 Cb 0.61 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 3m9i h THR 54 CO -0.37 0.20 0.28 -0.07 0.37 0.00 0.00 175.52 175.93 3m9i h LEU 55 N -0.43 0.44 -1.97 2.58 4.07 -0.24 -0.18 115.31 119.58 3m9i h LEU 55 Ca -0.01 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3m9i h LEU 55 Cb 0.38 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.05 3m9i h LEU 55 CO 0.01 0.30 -0.06 0.58 -1.08 0.00 0.00 178.44 178.20 3m9i h VAL 56 N 0.56 0.94 0.00 1.22 2.07 0.47 0.20 116.25 121.70 3m9i h VAL 56 Ca 0.21 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3m9i h VAL 56 Cb 0.07 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3m9i h VAL 56 CO -0.12 0.06 0.00 1.56 0.02 0.00 0.00 177.57 179.09 3m9i h GLN 57 N 0.00 0.00 0.00 1.57 1.08 -0.00 0.11 115.11 117.87 3m9i h GLN 57 Ca -0.00 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.93 3m9i h GLN 57 Cb 0.11 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.49 3m9i h GLN 57 CO 0.01 0.00 -2.00 0.00 -0.95 0.00 0.00 178.83 175.88 3m9i n ALA 58 N -1.98 1.62 -1.33 3.87 0.00 -0.43 -4.66 120.51 117.60 3m9i n ALA 58 Ca 0.03 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.77 3m9i n ALA 58 Cb 0.39 0.08 0.18 0.00 0.00 0.00 0.00 19.45 20.10 3m9i n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m9i n VAL 59 N -2.98 2.09 0.13 0.00 0.31 0.59 -4.61 118.33 113.87 3m9i n VAL 59 Ca -0.31 -2.72 -0.00 0.00 -0.01 0.00 0.00 64.34 61.30 3m9i n VAL 59 Cb 0.84 -0.25 0.08 0.00 -0.91 0.00 0.00 33.84 33.61 3m9i n VAL 59 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3m9i h GLY 60 N 0.60 0.00 0.80 2.92 0.00 -0.88 -2.65 103.07 103.85 3m9i h GLY 60 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3m9i h GLY 60 CO 0.04 0.00 -1.13 1.42 0.00 0.00 0.00 176.54 176.87 3m9i n HIS 61 N -3.44 0.70 0.08 5.60 8.25 -1.26 -2.00 115.22 123.15 3m9i n HIS 61 Ca 0.00 0.20 0.04 0.00 -0.26 0.00 0.00 57.72 57.70 3m9i n HIS 61 Cb 0.72 -0.80 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 3m9i n HIS 61 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3m9i h ILE 62 N 0.00 0.43 0.00 1.59 5.03 -1.84 -3.43 117.51 119.29 3m9i h ILE 62 Ca 0.00 -1.75 0.00 0.00 -0.12 0.00 0.00 64.86 62.99 3m9i h ILE 62 Cb 0.94 2.00 0.00 0.00 -3.03 0.00 0.00 36.82 36.73 3m9i h ILE 62 CO 0.00 0.25 0.00 -1.54 -0.68 0.00 0.00 178.15 176.18 3m9i n SER 63 N -2.93 0.00 0.00 1.72 3.41 -1.18 -3.87 113.62 110.77 3m9i n SER 63 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3m9i n SER 63 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3m9i n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m9i n GLY 64 N 0.00 0.59 3.69 5.00 0.00 -0.85 -4.55 105.19 109.06 3m9i n GLY 64 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3m9i n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9i n ALA 65 N -1.66 -1.23 0.26 4.61 0.00 -1.01 -4.80 120.51 116.67 3m9i n ALA 65 Ca 0.00 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.53 3m9i n ALA 65 Cb 0.00 -4.59 -0.09 0.00 0.00 0.00 0.00 19.45 14.77 3m9i n ALA 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3m9i h HIS 66 N -2.09 -1.20 -0.48 0.00 3.86 -1.89 -3.44 115.15 109.90 3m9i h HIS 66 Ca -0.56 0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 58.56 3m9i h HIS 66 Cb 1.37 0.47 -0.04 0.00 1.06 0.00 0.00 27.41 30.26 3m9i h HIS 66 CO 0.56 -0.59 -0.09 0.28 0.86 0.00 0.00 177.93 178.94 3m9i n VAL 67 N -5.52 0.00 -3.58 2.45 0.31 -1.26 -4.86 118.33 105.87 3m9i n VAL 67 Ca -0.11 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.02 3m9i n VAL 67 Cb 0.42 -0.91 -0.15 0.00 -0.91 0.00 0.00 33.84 32.29 3m9i n VAL 67 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3m9i s ASN 68 N -1.65 1.56 0.33 4.52 3.84 -1.26 -4.85 114.94 117.43 3m9i s ASN 68 Ca 0.00 -0.22 0.12 0.00 0.21 0.00 0.00 52.86 52.97 3m9i s ASN 68 Cb 0.00 0.13 0.99 0.00 -0.55 0.00 0.00 41.25 41.82 3m9i s ASN 68 CO 0.00 -0.31 1.70 -0.65 -2.79 0.00 0.00 177.10 175.04 3m9i h PRO 69 N 8.36 0.44 -0.13 0.43 0.11 -1.91 0.51 132.00 139.81 3m9i h PRO 69 Ca -0.15 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.82 3m9i h PRO 69 Cb 1.14 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3m9i h PRO 69 CO 0.25 0.29 -0.39 0.00 -0.21 0.00 0.00 178.00 177.94 3m9i h ALA 70 N 1.79 1.09 -0.20 -0.75 0.00 -1.93 -0.97 119.26 118.29 3m9i h ALA 70 Ca 0.69 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3m9i h ALA 70 Cb 1.46 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3m9i h ALA 70 CO -0.54 0.59 -0.25 0.28 0.00 0.00 0.00 179.25 179.33 3m9i h VAL 71 N 0.25 1.33 -0.10 0.00 2.07 -0.40 -1.47 116.25 117.94 3m9i h VAL 71 Ca 0.02 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.13 3m9i h VAL 71 Cb 0.81 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 3m9i h VAL 71 CO 0.06 0.44 0.07 0.74 0.02 0.00 0.00 177.57 178.90 3m9i h THR 72 N 0.18 0.95 -0.15 2.57 2.02 -0.92 -1.01 112.91 116.55 3m9i h THR 72 Ca 0.03 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 3m9i h THR 72 Cb 0.81 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3m9i h THR 72 CO 0.06 0.00 -0.04 0.15 0.37 0.00 0.00 175.52 176.06 3m9i h PHE 73 N 0.00 0.33 -0.92 3.16 3.04 -0.70 -1.04 116.94 120.82 3m9i h PHE 73 Ca 0.05 -0.07 0.12 0.00 3.98 0.00 0.00 57.97 62.04 3m9i h PHE 73 Cb 0.18 -0.08 -0.08 0.00 2.56 0.00 0.00 35.95 38.53 3m9i h PHE 73 CO 0.00 0.58 0.54 0.00 -2.02 0.00 0.00 178.31 177.42 3m9i h ALA 74 N 0.70 1.37 -0.10 2.41 0.00 -0.16 0.48 119.26 123.96 3m9i h ALA 74 Ca 0.04 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 3m9i h ALA 74 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3m9i h ALA 74 CO 0.02 0.11 -0.54 0.74 0.00 0.00 0.00 179.25 179.58 3m9i h PHE 75 N 0.85 0.37 0.12 0.00 0.04 -1.17 0.43 116.94 117.59 3m9i h PHE 75 Ca 0.46 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 3m9i h PHE 75 Cb 0.50 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.58 3m9i h PHE 75 CO -0.04 0.78 -0.06 1.25 -0.60 0.00 0.00 178.31 179.64 3m9i h LEU 76 N 0.23 -0.13 -0.88 1.54 5.85 0.35 0.35 115.31 122.62 3m9i h LEU 76 Ca 0.00 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3m9i h LEU 76 Cb 1.03 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3m9i h LEU 76 CO 0.09 0.17 -0.44 -0.37 -0.34 0.00 0.00 178.44 177.54 3m9i h VAL 77 N -0.44 1.32 0.00 1.05 -1.51 -0.99 -0.88 116.25 114.80 3m9i h VAL 77 Ca -0.02 -1.60 0.00 0.00 -1.23 0.00 0.00 66.70 63.85 3m9i h VAL 77 Cb 0.36 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.25 3m9i h VAL 77 CO 0.03 0.48 0.00 0.61 -1.23 0.00 0.00 177.57 177.46 3m9i n GLY 78 N -0.10 -0.54 3.43 5.19 0.00 0.15 -4.86 105.19 108.46 3m9i n GLY 78 Ca -0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 3m9i n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3m9i n SER 79 N -0.95 -6.27 -0.11 1.61 7.64 -0.34 -4.92 113.62 110.29 3m9i n SER 79 Ca 0.12 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.32 3m9i n SER 79 Cb 0.05 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.16 3m9i n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m9i n GLN 80 N -3.09 0.00 -3.67 1.43 6.02 0.11 -5.02 117.38 113.17 3m9i n GLN 80 Ca -0.09 -0.58 -0.11 0.00 -0.01 0.00 0.00 57.00 56.21 3m9i n GLN 80 Cb 0.59 -0.48 -0.09 0.00 1.02 0.00 0.00 30.24 31.28 3m9i n GLN 80 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 3m9i s MET 81 N 0.00 0.62 0.17 -1.09 -1.94 -1.22 -4.91 119.30 110.94 3m9i s MET 81 Ca 0.00 0.95 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 3m9i s MET 81 Cb 0.00 0.18 -0.08 0.00 2.01 0.00 0.00 34.83 36.93 3m9i s MET 81 CO 0.00 -0.12 1.33 -1.54 -0.01 0.00 0.00 175.02 174.67 3m9i s SER 82 N 1.03 6.88 0.10 3.03 1.04 -1.26 -4.66 113.70 119.86 3m9i s SER 82 Ca -0.06 2.37 0.03 0.00 0.48 0.00 0.00 55.95 58.77 3m9i s SER 82 Cb -0.05 -2.60 0.17 0.00 0.10 0.00 0.00 66.02 63.63 3m9i s SER 82 CO -0.10 -0.56 0.85 -0.11 0.98 0.00 0.00 173.24 174.31 3m9i n LEU 83 N 3.02 0.08 -0.08 2.42 7.94 -1.26 0.17 117.00 129.30 3m9i n LEU 83 Ca 0.08 0.30 -0.14 0.00 -1.11 0.00 0.00 56.01 55.14 3m9i n LEU 83 Cb 0.43 -0.26 -0.10 0.00 0.53 0.00 0.00 43.42 44.01 3m9i n LEU 83 CO 0.58 -0.33 0.07 0.25 -1.11 0.00 0.00 177.39 176.85 3m9i h LEU 84 N 0.00 0.00 0.03 -1.96 7.12 -2.00 -3.28 115.31 115.22 3m9i h LEU 84 Ca 0.00 -0.70 -0.00 0.00 0.13 0.00 0.00 57.88 57.31 3m9i h LEU 84 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.78 3m9i h LEU 84 CO 0.00 1.05 -0.02 -0.09 -0.13 0.00 0.00 178.44 179.26 3m9i h ARG 85 N -1.00 -0.04 -1.08 1.25 2.43 -0.64 -2.50 114.38 112.80 3m9i h ARG 85 Ca -0.09 0.00 0.30 0.00 -0.81 0.00 0.00 59.98 59.38 3m9i h ARG 85 Cb 0.93 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 30.38 3m9i h ARG 85 CO -0.05 0.05 0.68 0.00 -1.51 0.00 0.00 179.97 179.13 3m9i h ALA 86 N 0.84 2.22 -0.27 2.80 0.00 -1.48 0.35 119.26 123.71 3m9i h ALA 86 Ca -0.00 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3m9i h ALA 86 Cb 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3m9i h ALA 86 CO 0.01 -0.70 -0.30 0.82 0.00 0.00 0.00 179.25 179.07 3m9i h ILE 87 N 0.36 1.31 -0.29 0.00 2.04 -1.52 -2.31 117.51 117.09 3m9i h ILE 87 Ca 0.66 -1.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 3m9i h ILE 87 Cb 1.68 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 39.37 3m9i h ILE 87 CO -0.39 0.47 -0.00 0.00 0.00 0.00 0.00 178.15 178.23 3m9i h TYR 89 N 0.42 -0.20 -0.47 0.00 -1.99 -1.14 0.24 116.97 113.83 3m9i h TYR 89 Ca 0.09 -0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.89 3m9i h TYR 89 Cb 0.28 0.07 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 3m9i h TYR 89 CO 0.01 0.18 0.32 0.28 -0.00 0.00 0.00 178.16 178.95 3m9i h VAL 90 N -0.63 0.95 0.02 -2.88 2.07 -1.21 1.00 116.25 115.57 3m9i h VAL 90 Ca -0.02 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3m9i h VAL 90 Cb 0.47 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3m9i h VAL 90 CO 0.04 0.07 -0.01 0.58 0.02 0.00 0.00 177.57 178.26 3m9i h VAL 91 N 0.36 1.44 -0.79 2.57 2.07 -1.12 -1.68 116.25 119.09 3m9i h VAL 91 Ca 0.21 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.00 3m9i h VAL 91 Cb 0.36 2.58 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 3m9i h VAL 91 CO -0.05 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.44 3m9i h ALA 92 N 0.00 1.10 0.44 1.67 0.00 0.06 0.91 119.26 123.43 3m9i h ALA 92 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3m9i h ALA 92 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3m9i h ALA 92 CO 0.01 0.16 -0.21 1.96 0.00 0.00 0.00 179.25 181.16 3m9i h GLN 93 N 0.84 -0.57 -0.13 0.00 4.20 0.96 0.73 115.11 121.14 3m9i h GLN 93 Ca 0.36 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 3m9i h GLN 93 Cb 0.23 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3m9i h GLN 93 CO -0.20 -0.37 0.04 -0.07 -0.67 0.00 0.00 178.83 177.56 3m9i h LEU 94 N -0.59 0.15 0.04 1.46 3.38 -0.90 0.60 115.31 119.45 3m9i h LEU 94 Ca -0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3m9i h LEU 94 Cb 0.45 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.17 3m9i h LEU 94 CO 0.10 0.15 -0.44 -0.07 0.09 0.00 0.00 178.44 178.27 3m9i h LEU 95 N 0.17 0.33 -0.65 1.67 3.38 -0.54 -1.98 115.31 117.69 3m9i h LEU 95 Ca 0.04 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3m9i h LEU 95 Cb 0.06 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3m9i h LEU 95 CO -0.00 1.14 0.41 1.23 0.09 0.00 0.00 178.44 181.31 3m9i h GLY 96 N -0.45 0.94 0.62 0.83 0.00 0.91 -0.74 103.07 105.18 3m9i h GLY 96 Ca -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3m9i h GLY 96 CO 0.09 0.36 -0.44 0.00 0.00 0.00 0.00 176.54 176.55 3m9i h ALA 97 N 1.22 -1.19 -0.11 3.60 0.00 0.15 0.47 119.26 123.40 3m9i h ALA 97 Ca 0.24 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3m9i h ALA 97 Cb -0.06 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3m9i h ALA 97 CO -0.05 -1.18 0.12 0.28 0.00 0.00 0.00 179.25 178.43 3m9i h VAL 98 N -1.01 0.54 0.28 0.00 2.07 -1.25 -0.07 116.25 116.82 3m9i h VAL 98 Ca -0.08 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3m9i h VAL 98 Cb 0.83 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3m9i h VAL 98 CO 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.50 3m9i h ALA 99 N 1.87 -0.38 -0.86 1.67 0.00 -0.49 -1.47 119.26 119.59 3m9i h ALA 99 Ca 0.05 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.01 3m9i h ALA 99 Cb 0.29 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3m9i h ALA 99 CO -0.00 -0.41 0.60 0.78 0.00 0.00 0.00 179.25 180.22 3m9i h GLY 100 N -0.98 0.45 1.98 0.00 0.00 0.92 0.22 103.07 105.66 3m9i h GLY 100 Ca -0.04 -0.10 -0.21 0.00 0.00 0.00 0.00 47.33 46.99 3m9i h GLY 100 CO 0.06 -0.01 -1.00 0.00 0.00 0.00 0.00 176.54 175.60 3m9i h ALA 101 N 1.60 0.36 -0.26 3.60 0.00 -1.01 -2.37 119.26 121.18 3m9i h ALA 101 Ca 0.43 -0.90 -0.09 0.00 0.00 0.00 0.00 54.91 54.36 3m9i h ALA 101 Cb 1.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3m9i h ALA 101 CO -0.10 1.21 -0.19 0.00 0.00 0.00 0.00 179.25 180.17 3m9i h ALA 102 N 0.99 0.37 -0.04 0.00 0.00 0.50 -1.85 119.26 119.23 3m9i h ALA 102 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3m9i h ALA 102 Cb 1.76 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 3m9i h ALA 102 CO 0.13 0.30 -0.00 0.28 0.00 0.00 0.00 179.25 179.96 3m9i h VAL 103 N 0.31 1.26 -0.97 0.00 2.07 -1.27 -0.99 116.25 116.66 3m9i h VAL 103 Ca 0.05 -0.80 0.17 0.00 0.82 0.00 0.00 66.70 66.93 3m9i h VAL 103 Cb 0.73 1.72 -0.09 0.00 -1.52 0.00 0.00 31.29 32.14 3m9i h VAL 103 CO 0.05 0.22 0.61 0.25 0.02 0.00 0.00 177.57 178.72 3m9i h LEU 104 N -0.24 0.76 -0.69 2.57 5.85 -1.44 0.51 115.31 122.62 3m9i h LEU 104 Ca 0.01 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3m9i h LEU 104 Cb 0.35 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3m9i h LEU 104 CO 0.00 0.33 0.30 0.22 -0.34 0.00 0.00 178.44 178.95 3m9i h TYR 105 N 0.77 1.03 -0.38 1.25 3.20 -1.00 -0.15 116.97 121.69 3m9i h TYR 105 Ca 0.52 -0.07 -0.16 0.00 3.14 0.00 0.00 58.73 62.16 3m9i h TYR 105 Cb 0.80 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3m9i h TYR 105 CO -0.00 0.79 -0.39 0.66 -1.64 0.00 0.00 178.16 177.57 3m9i h SER 106 N 0.97 1.00 1.73 -2.11 4.64 0.42 -3.18 113.55 117.02 3m9i h SER 106 Ca 0.23 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3m9i h SER 106 Cb 0.18 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3m9i h SER 106 CO -0.02 1.26 -0.16 -0.37 -0.87 0.00 0.00 176.83 176.68 3m9i h VAL 107 N 0.75 0.00 -3.26 0.95 -1.51 -1.12 -3.46 116.25 108.60 3m9i h VAL 107 Ca 0.06 -0.88 -0.59 0.00 -1.23 0.00 0.00 66.70 64.06 3m9i h VAL 107 Cb 0.99 1.80 -0.08 0.00 -2.13 0.00 0.00 31.29 31.86 3m9i h VAL 107 CO 0.10 0.00 -0.22 0.28 -1.23 0.00 0.00 177.57 176.50 3m9i s THR 108 N -3.21 5.21 0.39 7.19 -1.32 -0.07 -5.04 115.64 118.79 3m9i s THR 108 Ca 0.07 0.78 -0.27 0.00 -1.21 0.00 0.00 61.69 61.06 3m9i s THR 108 Cb 0.07 -3.73 -0.11 0.00 -1.51 0.00 0.00 72.50 67.23 3m9i s THR 108 CO 0.67 0.39 1.46 -2.65 -2.21 0.00 0.00 174.62 172.28 3m9i n PRO 109 N 3.36 2.53 -0.33 7.08 -0.02 -1.26 -4.74 135.00 141.62 3m9i n PRO 109 Ca -0.10 0.89 0.18 0.00 -2.02 0.00 0.00 63.50 62.45 3m9i n PRO 109 Cb 0.52 -2.63 0.42 0.00 -0.02 0.00 0.00 33.50 31.79 3m9i n PRO 109 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3m9i h PRO 110 N 2.76 0.55 0.00 0.52 0.11 -1.90 0.28 132.00 134.32 3m9i h PRO 110 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3m9i h PRO 110 Cb 1.25 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3m9i h PRO 110 CO 0.63 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 3m9i h ALA 111 N 1.65 1.00 0.00 -0.75 0.00 -2.00 -3.29 119.26 115.88 3m9i h ALA 111 Ca 0.58 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 55.05 3m9i h ALA 111 Cb 1.18 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3m9i h ALA 111 CO -0.34 0.00 -2.45 0.28 0.00 0.00 0.00 179.25 176.74 3m9i n VAL 112 N -2.73 1.53 -2.01 0.00 0.31 -0.03 -4.66 118.33 110.74 3m9i n VAL 112 Ca 0.02 -0.41 -0.26 0.00 -0.01 0.00 0.00 64.34 63.68 3m9i n VAL 112 Cb 0.30 -1.80 -0.06 0.00 -0.91 0.00 0.00 33.84 31.37 3m9i n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3m9i s ARG 113 N -2.50 2.36 0.00 5.55 1.70 -0.50 -4.74 118.95 120.81 3m9i s ARG 113 Ca -0.37 -0.91 0.00 0.00 -0.47 0.00 0.00 55.73 53.98 3m9i s ARG 113 Cb 0.13 -5.18 0.00 0.00 -0.57 0.00 0.00 34.95 29.33 3m9i s ARG 113 CO 0.52 -4.03 0.00 0.41 -1.08 0.00 0.00 175.30 171.13 3m9i n GLY 114 N 6.05 -1.74 0.14 3.88 0.00 -1.26 -4.42 105.19 107.83 3m9i n GLY 114 Ca 0.44 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.58 3m9i n GLY 114 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m9i n ASN 115 N 0.00 0.78 -0.38 1.61 4.05 -1.26 -4.90 115.26 115.16 3m9i n ASN 115 Ca 0.00 -0.60 -0.03 0.00 0.45 0.00 0.00 54.58 54.40 3m9i n ASN 115 Cb 0.00 0.17 -0.00 0.00 1.23 0.00 0.00 39.78 41.18 3m9i n ASN 115 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 177.26 174.10 3m9i n LEU 116 N -1.03 -1.05 -1.51 1.20 7.94 -1.26 -3.25 117.00 118.03 3m9i n LEU 116 Ca 0.09 0.01 -0.16 0.00 -1.11 0.00 0.00 56.01 54.84 3m9i n LEU 116 Cb 0.34 -0.90 -0.04 0.00 0.53 0.00 0.00 43.42 43.35 3m9i n LEU 116 CO 0.30 -0.05 -0.18 0.00 -1.11 0.00 0.00 177.39 176.35 3m9i n ALA 117 N -0.92 -0.35 -1.53 1.96 0.00 -1.26 -4.75 120.51 113.66 3m9i n ALA 117 Ca -0.04 0.20 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3m9i n ALA 117 Cb 0.48 -1.75 0.03 0.00 0.00 0.00 0.00 19.45 18.21 3m9i n ALA 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3m9i n LEU 118 N -2.05 1.70 -4.76 0.00 7.94 -1.20 -4.93 117.00 113.69 3m9i n LEU 118 Ca -0.18 0.83 -0.39 0.00 -1.11 0.00 0.00 56.01 55.17 3m9i n LEU 118 Cb 0.58 -1.25 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 3m9i n LEU 118 CO 0.23 -2.46 0.35 0.20 -1.11 0.00 0.00 177.39 174.60 3m9i s ASN 119 N -1.08 7.06 -0.05 1.96 -0.87 -1.26 -5.02 114.94 115.68 3m9i s ASN 119 Ca 0.69 1.26 -0.07 0.00 -1.57 0.00 0.00 52.86 53.17 3m9i s ASN 119 Cb -0.48 -2.40 0.01 0.00 -0.02 0.00 0.00 41.25 38.36 3m9i s ASN 119 CO 0.54 0.09 0.18 0.42 -2.57 0.00 0.00 177.10 175.75 3m9i s THR 120 N -0.23 0.03 -0.01 1.60 -4.23 -1.25 -4.95 115.64 106.60 3m9i s THR 120 Ca 0.33 -0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 3m9i s THR 120 Cb -0.19 -0.33 -0.05 0.00 1.34 0.00 0.00 72.50 73.27 3m9i s THR 120 CO 0.19 -0.12 1.39 -0.76 -0.54 0.00 0.00 174.62 174.79 3m9i s LEU 121 N -0.37 4.31 0.32 4.79 1.43 -1.26 -3.91 118.68 123.99 3m9i s LEU 121 Ca -0.05 2.09 -0.29 0.00 -1.03 0.00 0.00 54.13 54.86 3m9i s LEU 121 Cb -0.03 -3.56 -0.12 0.00 0.03 0.00 0.00 46.19 42.50 3m9i s LEU 121 CO 0.01 -0.72 1.34 1.57 0.23 0.00 0.00 176.35 178.78 3m9i n HIS 122 N 5.42 2.32 -1.53 0.29 -0.00 0.36 -4.85 115.22 117.24 3m9i n HIS 122 Ca 0.13 0.50 -0.45 0.00 -0.00 0.00 0.00 57.72 57.90 3m9i n HIS 122 Cb 0.44 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 27.97 3m9i n HIS 122 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3m9i n PRO 123 N 1.01 0.93 -0.11 1.57 -0.04 -1.26 -1.44 135.00 135.66 3m9i n PRO 123 Ca 0.06 0.33 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3m9i n PRO 123 Cb 0.35 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 3m9i n PRO 123 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3m9i n GLY 124 N 1.48 1.81 3.43 0.55 0.00 -1.26 -5.01 105.19 106.19 3m9i n GLY 124 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3m9i n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m9i s VAL 125 N -2.77 4.81 1.27 1.61 1.01 -0.52 -5.08 120.40 120.73 3m9i s VAL 125 Ca 0.00 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.20 3m9i s VAL 125 Cb 0.00 -3.58 0.32 0.00 0.00 0.00 0.00 36.38 33.11 3m9i s VAL 125 CO 0.00 -0.13 1.00 -0.94 0.00 0.00 0.00 175.10 175.04 3m9i s SER 126 N 1.62 0.17 0.17 3.32 1.04 -1.26 -4.73 113.70 114.04 3m9i s SER 126 Ca 0.04 1.06 0.10 0.00 0.48 0.00 0.00 55.95 57.62 3m9i s SER 126 Cb -0.18 -1.57 -0.10 0.00 0.10 0.00 0.00 66.02 64.26 3m9i s SER 126 CO 0.08 -4.64 1.35 -0.37 0.98 0.00 0.00 173.24 170.64 3m9i h VAL 127 N -2.92 1.46 -0.42 5.02 -1.51 -1.98 -0.07 116.25 115.82 3m9i h VAL 127 Ca -0.51 -3.01 -0.14 0.00 -1.23 0.00 0.00 66.70 61.81 3m9i h VAL 127 Cb 1.33 2.69 -0.01 0.00 -2.13 0.00 0.00 31.29 33.17 3m9i h VAL 127 CO 0.39 0.82 -0.28 1.23 -1.23 0.00 0.00 177.57 178.51 3m9i h GLY 128 N 3.08 1.01 0.47 5.19 0.00 -1.98 -0.36 103.07 110.48 3m9i h GLY 128 Ca -0.01 -0.96 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 3m9i h GLY 128 CO 0.11 0.87 -0.01 1.46 0.00 0.00 0.00 176.54 178.96 3m9i h GLN 129 N 0.76 -0.04 -0.97 4.80 4.20 -1.91 -1.24 115.11 120.71 3m9i h GLN 129 Ca 0.08 0.00 0.24 0.00 0.06 0.00 0.00 58.65 59.04 3m9i h GLN 129 Cb 0.86 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 3m9i h GLN 129 CO 0.08 0.47 0.64 0.00 -0.67 0.00 0.00 178.83 179.35 3m9i h ALA 130 N 0.37 2.34 -0.04 3.87 0.00 -0.98 0.44 119.26 125.25 3m9i h ALA 130 Ca -0.00 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3m9i h ALA 130 Cb 0.52 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.34 3m9i h ALA 130 CO 0.01 -0.67 -0.74 1.15 0.00 0.00 0.00 179.25 178.99 3m9i h THR 131 N 0.33 1.35 0.12 0.00 2.02 -0.89 -1.89 112.91 113.95 3m9i h THR 131 Ca 0.51 -2.07 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 3m9i h THR 131 Cb 1.41 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 3m9i h THR 131 CO -0.19 0.62 -0.06 0.40 0.37 0.00 0.00 175.52 176.67 3m9i h ILE 132 N 0.18 0.96 0.07 3.11 1.08 0.36 -0.15 117.51 123.12 3m9i h ILE 132 Ca -0.08 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 64.12 3m9i h ILE 132 Cb 1.41 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 3m9i h ILE 132 CO 0.15 0.07 -0.46 0.58 -0.69 0.00 0.00 178.15 177.80 3m9i h VAL 133 N -0.30 0.10 -0.34 1.67 2.07 -0.30 -0.06 116.25 119.10 3m9i h VAL 133 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3m9i h VAL 133 Cb 0.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3m9i h VAL 133 CO 0.03 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 177.58 3m9i h GLU 134 N -0.66 0.00 -0.34 1.57 4.39 -1.24 0.37 114.58 118.67 3m9i h GLU 134 Ca 0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 3m9i h GLU 134 Cb 0.70 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3m9i h GLU 134 CO -0.29 0.00 -0.31 0.82 -1.16 0.00 0.00 179.01 178.07 3m9i h ILE 135 N 0.00 1.29 -0.12 3.13 2.04 0.59 -2.56 117.51 121.88 3m9i h ILE 135 Ca 0.16 -1.48 -0.14 0.00 1.00 0.00 0.00 64.86 64.40 3m9i h ILE 135 Cb 0.74 1.47 0.01 0.00 -0.74 0.00 0.00 36.82 38.30 3m9i h ILE 135 CO -0.00 0.48 -0.47 -0.26 0.00 0.00 0.00 178.15 177.90 3m9i h PHE 136 N 0.59 0.71 -0.75 1.37 -1.00 0.12 0.43 116.94 118.40 3m9i h PHE 136 Ca 0.06 -0.30 0.09 0.00 2.81 0.00 0.00 57.97 60.63 3m9i h PHE 136 Cb 0.89 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 40.28 3m9i h PHE 136 CO 0.07 1.07 0.49 -0.07 -1.61 0.00 0.00 178.31 178.26 3m9i h LEU 137 N 0.14 0.61 0.00 1.54 3.38 -0.47 -2.18 115.31 118.33 3m9i h LEU 137 Ca -0.03 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 3m9i h LEU 137 Cb 1.11 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3m9i h LEU 137 CO 0.10 0.37 -1.60 0.41 0.09 0.00 0.00 178.44 177.81 3m9i n THR 138 N -4.50 1.40 -0.05 0.22 -1.04 -0.97 -3.06 114.28 106.28 3m9i n THR 138 Ca 0.12 -0.75 -0.11 0.00 -2.04 0.00 0.00 64.05 61.27 3m9i n THR 138 Cb 0.32 -0.87 -0.05 0.00 -1.82 0.00 0.00 70.33 67.91 3m9i n THR 138 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3m9i h LEU 139 N 0.00 0.24 -0.74 -4.42 6.46 0.45 0.49 115.31 117.78 3m9i h LEU 139 Ca -0.24 -0.19 -0.10 0.00 -0.12 0.00 0.00 57.88 57.23 3m9i h LEU 139 Cb 1.82 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.67 3m9i h LEU 139 CO 0.06 0.36 -0.16 0.06 -0.62 0.00 0.00 178.44 178.14 3m9i h GLN 140 N 0.10 0.79 0.20 1.25 -0.00 -1.58 -0.20 115.11 115.66 3m9i h GLN 140 Ca 0.05 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.41 3m9i h GLN 140 Cb 0.20 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.63 3m9i h GLN 140 CO -0.00 0.90 -0.09 0.35 -0.00 0.00 0.00 178.83 179.98 3m9i h PHE 141 N 0.70 -0.24 -0.40 0.06 3.57 -1.40 -0.32 116.94 118.91 3m9i h PHE 141 Ca 0.11 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3m9i h PHE 141 Cb 0.66 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3m9i h PHE 141 CO 0.03 -0.04 0.26 0.28 -2.23 0.00 0.00 178.31 176.61 3m9i h VAL 142 N -0.41 1.09 -0.28 1.41 2.07 0.03 -2.02 116.25 118.14 3m9i h VAL 142 Ca -0.03 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.38 3m9i h VAL 142 Cb 0.32 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3m9i h VAL 142 CO 0.04 0.10 -0.18 0.25 0.02 0.00 0.00 177.57 177.79 3m9i h LEU 143 N 0.52 -0.61 -0.32 2.57 5.85 -0.88 0.42 115.31 122.87 3m9i h LEU 143 Ca 0.15 0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.07 3m9i h LEU 143 Cb -0.04 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 3m9i h LEU 143 CO -0.04 -0.22 -0.15 0.00 -0.34 0.00 0.00 178.44 177.69 3m9i h ILE 145 N -0.10 0.59 -0.85 0.00 2.04 -0.58 0.56 117.51 119.17 3m9i h ILE 145 Ca 0.16 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.13 3m9i h ILE 145 Cb 0.35 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3m9i h ILE 145 CO -0.38 0.00 0.55 -0.26 0.00 0.00 0.00 178.15 178.06 3m9i h PHE 146 N -0.41 0.84 0.34 1.37 -1.00 0.25 0.95 116.94 119.28 3m9i h PHE 146 Ca -0.00 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 3m9i h PHE 146 Cb 0.38 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 39.67 3m9i h PHE 146 CO -0.14 0.37 -0.16 0.00 -1.61 0.00 0.00 178.31 176.76 3m9i h ALA 147 N 1.59 -0.76 -0.35 2.45 0.00 0.49 -2.23 119.26 120.45 3m9i h ALA 147 Ca 0.40 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.26 3m9i h ALA 147 Cb 0.52 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3m9i h ALA 147 CO -0.17 -0.72 0.10 1.79 0.00 0.00 0.00 179.25 180.25 3m9i h THR 148 N -0.65 0.87 0.00 0.00 1.35 0.26 -1.88 112.91 112.86 3m9i h THR 148 Ca -0.05 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.71 3m9i h THR 148 Cb 0.35 0.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 3m9i h THR 148 CO 0.08 0.04 -0.12 1.88 -0.25 0.00 0.00 175.52 177.15 3m9i h TYR 149 N 0.23 0.00 -1.26 4.73 0.99 -0.94 -3.39 116.97 117.33 3m9i h TYR 149 Ca 0.16 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.53 3m9i h TYR 149 Cb 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.85 3m9i h TYR 149 CO -0.16 0.12 0.99 0.34 -0.00 0.00 0.00 178.16 179.45 3m9i s ASP 150 N -6.22 5.02 0.00 3.88 2.15 -0.71 -4.78 116.67 116.00 3m9i s ASP 150 Ca -0.03 -0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.89 3m9i s ASP 150 Cb 0.13 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 3m9i s ASP 150 CO 0.59 -2.72 0.58 -0.62 -0.17 0.00 0.00 175.17 172.83 3m9i n GLU 151 N 9.00 0.00 0.00 4.34 -0.58 -1.26 -2.76 120.64 129.38 3m9i n GLU 151 Ca 0.33 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 57.22 3m9i n GLU 151 Cb 0.49 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 3m9i n GLU 151 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3m9i n ARG 152 N -1.08 0.68 -3.67 3.49 1.74 -1.26 -4.61 116.66 111.96 3m9i n ARG 152 Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 3m9i n ARG 152 Cb 0.05 -1.17 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 3m9i n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3m9i s ARG 153 N -1.52 0.43 0.00 5.56 1.70 -1.11 -5.17 118.95 118.85 3m9i s ARG 153 Ca 0.00 0.98 0.00 0.00 -0.47 0.00 0.00 55.73 56.24 3m9i s ARG 153 Cb 0.00 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 3m9i s ARG 153 CO 0.00 -0.19 0.00 0.27 -1.08 0.00 0.00 175.30 174.30 3m9i n ASN 154 N 4.68 0.00 0.00 -2.89 0.23 -1.26 -4.91 115.26 111.11 3m9i n ASN 154 Ca -0.18 -0.57 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 3m9i n ASN 154 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 3m9i n ASN 154 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3m9i n GLY 155 N 0.00 1.25 0.88 4.83 0.00 -1.26 -4.12 105.19 106.78 3m9i n GLY 155 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.60 3m9i n GLY 155 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3m9i n ARG 156 N 0.00 2.21 0.00 1.61 1.85 -1.26 -4.38 116.66 116.69 3m9i n ARG 156 Ca 0.00 -1.07 0.00 0.00 -1.00 0.00 0.00 57.85 55.78 3m9i n ARG 156 Cb 0.00 -1.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.76 3m9i n ARG 156 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3m9i n LEU 157 N 0.23 0.09 0.00 2.89 7.94 -1.26 -5.05 117.00 121.83 3m9i n LEU 157 Ca 0.09 0.79 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 3m9i n LEU 157 Cb 0.51 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 44.13 3m9i n LEU 157 CO 0.10 -0.33 0.00 0.61 -1.11 0.00 0.00 177.39 176.66 3m9i n GLY 158 N -0.57 0.72 3.59 -3.96 0.00 -1.26 -4.96 105.19 98.74 3m9i n GLY 158 Ca 0.00 -2.20 -0.50 0.00 0.00 0.00 0.00 46.02 43.33 3m9i n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3m9i n SER 159 N 0.00 2.82 -0.29 1.61 2.88 -1.26 -4.84 113.62 114.54 3m9i n SER 159 Ca 0.00 0.68 -0.05 0.00 -1.33 0.00 0.00 58.87 58.17 3m9i n SER 159 Cb 0.00 -1.33 0.07 0.00 -0.75 0.00 0.00 64.21 62.20 3m9i n SER 159 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 3m9i h VAL 160 N 6.25 1.24 -0.12 2.46 3.04 -1.94 -2.18 116.25 124.98 3m9i h VAL 160 Ca -0.40 -0.60 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 3m9i h VAL 160 Cb 1.29 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 3m9i h VAL 160 CO 0.98 0.27 -0.25 0.00 -1.01 0.00 0.00 177.57 177.56 3m9i h ALA 161 N 1.22 1.36 0.04 3.17 0.00 -1.88 -1.41 119.26 121.76 3m9i h ALA 161 Ca 0.27 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3m9i h ALA 161 Cb 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3m9i h ALA 161 CO -0.04 0.44 -1.02 1.25 0.00 0.00 0.00 179.25 179.88 3m9i h LEU 162 N 0.20 0.26 0.00 0.00 5.85 -1.81 -2.33 115.31 117.48 3m9i h LEU 162 Ca 0.03 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3m9i h LEU 162 Cb 0.55 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3m9i h LEU 162 CO 0.04 1.13 0.00 0.00 -0.34 0.00 0.00 178.44 179.27 3m9i n ALA 163 N -2.46 -0.36 -0.32 1.25 0.00 -0.84 -0.62 120.51 117.15 3m9i n ALA 163 Ca -0.04 0.00 0.28 0.00 0.00 0.00 0.00 53.44 53.68 3m9i n ALA 163 Cb 0.91 0.01 0.61 0.00 0.00 0.00 0.00 19.45 20.98 3m9i n ALA 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m9i h VAL 164 N 0.00 0.46 -0.11 0.00 2.07 -1.39 -0.51 116.25 116.77 3m9i h VAL 164 Ca 0.00 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3m9i h VAL 164 Cb 0.00 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3m9i h VAL 164 CO 0.00 0.04 -0.13 1.23 0.02 0.00 0.00 177.57 178.73 3m9i h GLY 165 N 0.22 0.32 2.00 2.17 0.00 -1.28 -2.63 103.07 103.87 3m9i h GLY 165 Ca 0.59 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3m9i h GLY 165 CO -0.19 0.30 -0.14 0.74 0.00 0.00 0.00 176.54 177.25 3m9i h PHE 166 N -0.12 0.00 -0.29 5.60 0.04 0.69 0.59 116.94 123.45 3m9i h PHE 166 Ca 0.02 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3m9i h PHE 166 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3m9i h PHE 166 CO 0.09 0.14 -0.24 1.03 -0.60 0.00 0.00 178.31 178.73 3m9i h SER 167 N 0.00 0.56 -0.00 2.17 0.87 -1.17 0.60 113.55 116.58 3m9i h SER 167 Ca -0.00 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.24 3m9i h SER 167 Cb 0.25 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3m9i h SER 167 CO 0.02 0.79 -0.39 0.25 -0.53 0.00 0.00 176.83 176.97 3m9i h LEU 168 N 0.49 0.54 -0.72 2.23 6.46 -0.59 -1.34 115.31 122.38 3m9i h LEU 168 Ca 0.07 -0.23 -0.13 0.00 -0.12 0.00 0.00 57.88 57.46 3m9i h LEU 168 Cb 0.68 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 3m9i h LEU 168 CO 0.05 0.88 -0.51 0.74 -0.62 0.00 0.00 178.44 178.98 3m9i h THR 169 N 0.42 1.34 0.26 1.05 2.02 -0.18 -2.25 112.91 115.57 3m9i h THR 169 Ca 0.04 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.45 3m9i h THR 169 Cb 0.88 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 3m9i h THR 169 CO 0.07 0.53 -0.13 0.25 0.37 0.00 0.00 175.52 176.62 3m9i h LEU 170 N 0.27 -0.30 -1.32 2.58 6.46 0.69 0.24 115.31 123.93 3m9i h LEU 170 Ca 0.01 0.01 0.47 0.00 -0.12 0.00 0.00 57.88 58.25 3m9i h LEU 170 Cb 0.99 0.08 -0.15 0.00 -0.73 0.00 0.00 40.66 40.85 3m9i h LEU 170 CO 0.08 -0.21 0.83 0.61 -0.62 0.00 0.00 178.44 179.13 3m9i n GLY 171 N -1.18 -0.83 0.11 3.75 0.00 -0.55 -0.22 105.19 106.28 3m9i n GLY 171 Ca -0.04 0.77 -0.16 0.00 0.00 0.00 0.00 46.02 46.58 3m9i n GLY 171 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3m9i h HIS 172 N 0.00 0.37 -0.86 1.61 3.86 -0.96 0.79 115.15 119.96 3m9i h HIS 172 Ca 0.88 -0.22 0.23 0.00 -1.16 0.00 0.00 60.37 60.11 3m9i h HIS 172 Cb 2.74 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 31.13 3m9i h HIS 172 CO -0.01 1.05 0.60 -0.07 0.86 0.00 0.00 177.93 180.37 3m9i h LEU 173 N -0.41 0.11 0.00 2.43 4.07 0.27 -1.59 115.31 120.19 3m9i h LEU 173 Ca -0.06 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3m9i h LEU 173 Cb 1.18 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3m9i h LEU 173 CO 0.08 0.04 0.00 0.33 -1.08 0.00 0.00 178.44 177.81 3m9i n PHE 174 N -4.35 0.00 1.38 1.13 7.35 -0.71 -4.68 117.46 117.58 3m9i n PHE 174 Ca 0.18 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.94 3m9i n PHE 174 Cb 0.86 -0.11 0.42 0.00 0.35 0.00 0.00 39.48 40.99 3m9i n PHE 174 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3m9i n GLY 175 N 1.77 -0.69 0.30 7.13 0.00 0.27 -3.28 105.19 110.69 3m9i n GLY 175 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3m9i n GLY 175 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3m9i h MET 176 N 0.00 1.03 0.00 1.61 1.85 -1.41 -0.78 114.93 117.23 3m9i h MET 176 Ca 0.00 -0.24 -0.05 0.00 -0.61 0.00 0.00 59.70 58.80 3m9i h MET 176 Cb 0.00 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 3m9i h MET 176 CO 0.00 0.92 -0.23 1.88 -0.40 0.00 0.00 176.91 179.09 3m9i h TYR 177 N 0.96 0.00 0.00 1.39 -1.99 -1.79 0.94 116.97 116.47 3m9i h TYR 177 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3m9i h TYR 177 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.08 3m9i h TYR 177 CO 0.03 0.23 -0.23 1.88 -0.00 0.00 0.00 178.16 180.06 3m9i h TYR 178 N 0.00 0.00 -0.34 4.88 -1.99 -1.70 -3.41 116.97 114.41 3m9i h TYR 178 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3m9i h TYR 178 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.18 3m9i h TYR 178 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 3m9i n THR 179 N -3.43 1.41 -1.09 -2.88 -2.24 -0.79 0.14 114.28 105.40 3m9i n THR 179 Ca -0.03 -1.26 -0.03 0.00 -2.27 0.00 0.00 64.05 60.45 3m9i n THR 179 Cb 0.12 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 3m9i n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m9i n GLY 180 N 0.26 0.54 3.05 3.38 0.00 0.32 -3.78 105.19 108.96 3m9i n GLY 180 Ca 0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 3m9i n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m9i n ALA 181 N 1.06 -2.25 -0.08 4.61 0.00 -0.37 -4.75 120.51 118.74 3m9i n ALA 181 Ca -0.03 0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.54 3m9i n ALA 181 Cb 0.26 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 3m9i n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m9i n GLY 182 N 1.36 -0.89 3.85 0.00 0.00 -1.26 -4.92 105.19 103.34 3m9i n GLY 182 Ca -0.02 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3m9i n GLY 182 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3m9i n MET 183 N -4.57 -0.85 -2.88 1.61 0.00 -1.26 -4.79 117.12 104.38 3m9i n MET 183 Ca -0.12 0.11 0.03 0.00 0.00 0.00 0.00 57.70 57.72 3m9i n MET 183 Cb 0.36 -3.75 0.00 0.00 0.00 0.00 0.00 33.22 29.83 3m9i n MET 183 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3m9i s ASN 184 N -2.74 -0.23 0.34 3.17 3.84 -1.26 -4.92 114.94 113.14 3m9i s ASN 184 Ca 0.64 -0.06 0.13 0.00 0.21 0.00 0.00 52.86 53.78 3m9i s ASN 184 Cb -0.37 0.59 1.10 0.00 -0.55 0.00 0.00 41.25 42.02 3m9i s ASN 184 CO 0.79 -0.03 1.59 -0.65 -2.79 0.00 0.00 177.10 176.01 3m9i h PRO 185 N 5.95 0.06 -0.29 0.43 0.11 -1.87 0.24 132.00 136.63 3m9i h PRO 185 Ca -0.07 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 3m9i h PRO 185 Cb 1.22 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3m9i h PRO 185 CO -0.10 0.04 -0.24 0.00 -0.21 0.00 0.00 178.00 177.49 3m9i h ALA 186 N 1.96 1.05 -0.38 -0.75 0.00 -1.91 0.13 119.26 119.36 3m9i h ALA 186 Ca 0.74 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 55.18 3m9i h ALA 186 Cb 1.81 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3m9i h ALA 186 CO -0.78 0.57 -0.25 -0.09 0.00 0.00 0.00 179.25 178.70 3m9i h ARG 187 N 0.49 0.78 0.07 0.00 1.12 -0.89 -2.51 114.38 113.43 3m9i h ARG 187 Ca 0.07 -0.33 -0.24 0.00 -1.11 0.00 0.00 59.98 58.37 3m9i h ARG 187 Cb 0.67 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.60 3m9i h ARG 187 CO 0.05 0.95 -1.12 0.77 -3.11 0.00 0.00 179.97 177.51 3m9i h SER 188 N 0.67 0.27 0.44 -3.80 0.02 -1.14 -3.37 113.55 106.63 3m9i h SER 188 Ca 0.09 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3m9i h SER 188 Cb 0.77 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3m9i h SER 188 CO 0.06 1.20 -0.21 0.15 -1.14 0.00 0.00 176.83 176.89 3m9i h PHE 189 N 0.06 -0.55 -0.67 3.45 3.57 -0.68 -2.98 116.94 119.14 3m9i h PHE 189 Ca -0.08 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.46 3m9i h PHE 189 Cb 1.85 0.18 -0.08 0.00 2.79 0.00 0.00 35.95 40.69 3m9i h PHE 189 CO 0.04 -0.22 -0.39 0.00 -2.23 0.00 0.00 178.31 175.50 3m9i n ALA 190 N -2.58 -0.43 0.09 2.41 0.00 -0.95 -0.60 120.51 118.44 3m9i n ALA 190 Ca -0.10 0.57 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 3m9i n ALA 190 Cb 0.29 0.04 0.30 0.00 0.00 0.00 0.00 19.45 20.08 3m9i n ALA 190 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3m9i h PRO 191 N 0.00 0.29 -0.48 0.00 0.13 -1.74 -2.34 132.00 127.86 3m9i h PRO 191 Ca 0.11 -0.09 0.01 0.00 -0.87 0.00 0.00 66.00 65.15 3m9i h PRO 191 Cb 0.27 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 3m9i h PRO 191 CO -0.63 0.51 0.32 0.00 -0.23 0.00 0.00 178.00 177.97 3m9i h ALA 192 N 1.50 0.61 0.06 -0.56 0.00 -0.69 0.38 119.26 120.57 3m9i h ALA 192 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3m9i h ALA 192 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m9i h ALA 192 CO 0.04 0.05 -0.03 0.97 0.00 0.00 0.00 179.25 180.28 3m9i h ILE 193 N 0.64 1.21 0.57 0.00 2.10 -0.77 0.40 117.51 121.65 3m9i h ILE 193 Ca 0.18 -1.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.10 3m9i h ILE 193 Cb -0.06 1.85 -0.01 0.00 -1.09 0.00 0.00 36.82 37.51 3m9i h ILE 193 CO -0.04 0.25 -0.35 -0.07 -1.08 0.00 0.00 178.15 176.85 3m9i h LEU 194 N -0.54 -0.88 -0.11 2.19 3.38 -1.34 0.15 115.31 118.15 3m9i h LEU 194 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3m9i h LEU 194 Cb 0.47 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3m9i h LEU 194 CO 0.01 -0.55 0.00 0.41 0.09 0.00 0.00 178.44 178.41 3m9i n THR 195 N -5.49 1.42 -1.13 0.22 -1.04 0.13 -4.81 114.28 103.58 3m9i n THR 195 Ca -0.12 0.38 -0.06 0.00 -2.04 0.00 0.00 64.05 62.21 3m9i n THR 195 Cb 0.38 -1.26 -0.02 0.00 -1.82 0.00 0.00 70.33 67.60 3m9i n THR 195 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3m9i n ARG 196 N -1.58 -1.84 -3.37 -2.82 1.74 0.11 -4.93 116.66 103.97 3m9i n ARG 196 Ca 0.02 0.68 -0.44 0.00 -0.77 0.00 0.00 57.85 57.34 3m9i n ARG 196 Cb 0.09 -5.08 -0.08 0.00 -1.02 0.00 0.00 32.46 26.37 3m9i n ARG 196 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3m9i s ASN 197 N -2.14 6.15 -0.28 0.55 3.84 0.33 -4.92 114.94 118.48 3m9i s ASN 197 Ca 0.00 -1.09 0.11 0.00 0.21 0.00 0.00 52.86 52.09 3m9i s ASN 197 Cb 0.00 -2.19 0.62 0.00 -0.55 0.00 0.00 41.25 39.13 3m9i s ASN 197 CO 0.00 -0.61 1.62 0.49 -2.79 0.00 0.00 177.10 175.81 3m9i n PHE 198 N 5.34 1.72 -1.84 0.43 3.72 -1.26 -4.45 117.46 121.13 3m9i n PHE 198 Ca -0.11 -1.26 -0.42 0.00 -0.05 0.00 0.00 57.45 55.62 3m9i n PHE 198 Cb 0.45 -0.55 -0.02 0.00 -0.94 0.00 0.00 39.48 38.42 3m9i n PHE 198 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3m9i s THR 199 N -3.04 2.23 -0.49 4.37 2.01 -1.26 -1.76 115.64 117.70 3m9i s THR 199 Ca 0.49 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.68 3m9i s THR 199 Cb 0.41 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.80 3m9i s THR 199 CO 0.08 0.03 0.00 0.59 -0.69 0.00 0.00 174.62 174.63 3m9i n ASN 200 N 2.49 -2.69 -0.18 3.53 5.03 -1.26 -4.78 115.26 117.40 3m9i n ASN 200 Ca 0.09 0.11 0.10 0.00 0.87 0.00 0.00 54.58 55.75 3m9i n ASN 200 Cb 0.38 -2.20 0.41 0.00 -1.02 0.00 0.00 39.78 37.34 3m9i n ASN 200 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 3m9i h HIS 201 N 0.00 0.68 -0.89 3.10 2.76 -1.70 -2.25 115.15 116.84 3m9i h HIS 201 Ca -0.09 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.16 3m9i h HIS 201 Cb 0.55 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 3m9i h HIS 201 CO 0.28 0.31 0.58 0.11 -1.30 0.00 0.00 177.93 177.92 3m9i h TRP 202 N 0.63 1.02 -1.12 5.26 5.08 -1.86 0.13 115.95 125.09 3m9i h TRP 202 Ca 0.35 0.03 0.31 0.00 1.08 0.00 0.00 58.89 60.66 3m9i h TRP 202 Cb 0.51 -0.33 -0.08 0.00 -3.00 0.00 0.00 29.16 26.26 3m9i h TRP 202 CO -0.00 0.53 0.76 0.28 -1.28 0.00 0.00 178.44 178.72 3m9i h VAL 203 N 1.00 0.44 0.00 0.12 2.07 -1.79 0.63 116.25 118.72 3m9i h VAL 203 Ca 0.39 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.84 3m9i h VAL 203 Cb 0.23 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3m9i h VAL 203 CO -0.15 0.04 0.00 -1.22 0.02 0.00 0.00 177.57 176.26 3m9i n TYR 204 N -4.46 0.00 -0.00 1.57 4.02 0.47 -1.52 117.16 117.25 3m9i n TYR 204 Ca 0.26 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.15 3m9i n TYR 204 Cb 1.07 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.39 3m9i n TYR 204 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 3m9i n TRP 205 N -0.92 0.00 0.23 -0.72 7.02 0.20 -3.97 117.44 119.27 3m9i n TRP 205 Ca 0.20 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.53 3m9i n TRP 205 Cb 0.09 -0.02 -0.08 0.00 -2.42 0.00 0.00 31.31 28.89 3m9i n TRP 205 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3m9i h VAL 206 N -0.01 0.31 -0.01 -0.99 2.07 -0.96 0.48 116.25 117.13 3m9i h VAL 206 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3m9i h VAL 206 Cb 1.01 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3m9i h VAL 206 CO -0.01 0.00 -0.03 1.23 0.02 0.00 0.00 177.57 178.78 3m9i h GLY 207 N -0.71 -1.61 1.68 2.17 0.00 -1.46 0.65 103.07 103.79 3m9i h GLY 207 Ca -0.03 0.70 0.04 0.00 0.00 0.00 0.00 47.33 48.05 3m9i h GLY 207 CO -0.05 -0.60 0.13 -2.55 0.00 0.00 0.00 176.54 173.48 3m9i h PRO 208 N -0.03 0.08 -0.13 4.80 0.11 -1.69 0.19 132.00 135.33 3m9i h PRO 208 Ca 0.00 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3m9i h PRO 208 Cb 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3m9i h PRO 208 CO -0.03 0.06 -0.39 0.28 -0.21 0.00 0.00 178.00 177.71 3m9i h VAL 209 N 0.09 1.36 0.48 3.15 2.07 -0.55 0.35 116.25 123.20 3m9i h VAL 209 Ca 0.09 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 3m9i h VAL 209 Cb 0.24 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 3m9i h VAL 209 CO -0.01 0.50 -0.23 0.40 0.02 0.00 0.00 177.57 178.26 3m9i h ILE 210 N 0.11 0.35 -0.73 4.57 2.04 -0.52 0.11 117.51 123.44 3m9i h ILE 210 Ca -0.01 -0.49 0.16 0.00 1.00 0.00 0.00 64.86 65.53 3m9i h ILE 210 Cb 1.01 0.51 -0.12 0.00 -0.74 0.00 0.00 36.82 37.48 3m9i h ILE 210 CO 0.08 0.06 0.11 1.23 0.00 0.00 0.00 178.15 179.63 3m9i h GLY 211 N -0.99 0.94 0.84 5.37 0.00 -0.69 0.32 103.07 108.86 3m9i h GLY 211 Ca -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.25 3m9i h GLY 211 CO 0.11 -0.24 -0.45 0.00 0.00 0.00 0.00 176.54 175.96 3m9i h ALA 212 N 1.64 -1.30 -0.13 3.60 0.00 -0.18 0.83 119.26 123.73 3m9i h ALA 212 Ca 0.41 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3m9i h ALA 212 Cb 0.71 0.51 -0.07 0.00 0.00 0.00 0.00 17.79 18.95 3m9i h ALA 212 CO -0.56 -1.23 -0.42 0.78 0.00 0.00 0.00 179.25 177.81 3m9i h GLY 213 N -1.18 -0.72 0.07 0.00 0.00 -0.02 0.63 103.07 101.85 3m9i h GLY 213 Ca -0.11 0.52 0.14 0.00 0.00 0.00 0.00 47.33 47.88 3m9i h GLY 213 CO 0.16 -0.22 0.23 -2.00 0.00 0.00 0.00 176.54 174.71 3m9i h LEU 214 N -0.50 0.14 -1.43 3.11 5.85 -0.39 0.19 115.31 122.28 3m9i h LEU 214 Ca 0.07 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3m9i h LEU 214 Cb 0.63 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 3m9i h LEU 214 CO -0.40 0.04 -0.14 1.23 -0.34 0.00 0.00 178.44 178.83 3m9i h GLY 215 N 0.35 0.21 0.69 3.75 0.00 0.17 0.23 103.07 108.47 3m9i h GLY 215 Ca 0.40 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3m9i h GLY 215 CO -0.44 0.12 -0.31 0.23 0.00 0.00 0.00 176.54 176.14 3m9i h SER 216 N 0.19 -0.74 -0.20 0.19 0.87 0.16 -2.37 113.55 111.65 3m9i h SER 216 Ca 0.04 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3m9i h SER 216 Cb 0.37 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 3m9i h SER 216 CO 0.02 -0.36 -0.05 -0.07 -0.53 0.00 0.00 176.83 175.84 3m9i h LEU 217 N -1.20 -0.20 -0.52 2.23 4.07 -0.90 0.81 115.31 119.61 3m9i h LEU 217 Ca -0.09 0.06 0.10 0.00 0.08 0.00 0.00 57.88 58.04 3m9i h LEU 217 Cb 0.69 0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.46 3m9i h LEU 217 CO 0.15 -0.07 -0.08 0.25 -1.08 0.00 0.00 178.44 177.60 3m9i h LEU 218 N -0.01 -0.39 0.06 1.67 5.85 -0.62 -0.75 115.31 121.12 3m9i h LEU 218 Ca 0.10 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 3m9i h LEU 218 Cb 0.15 0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3m9i h LEU 218 CO -0.21 -0.14 -0.03 0.22 -0.34 0.00 0.00 178.44 177.94 3m9i h TYR 219 N 0.04 -0.08 0.00 1.25 3.20 -0.84 -2.20 116.97 118.34 3m9i h TYR 219 Ca 0.25 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3m9i h TYR 219 Cb 0.39 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3m9i h TYR 219 CO -0.40 0.11 0.00 -0.25 -1.64 0.00 0.00 178.16 175.99 3m9i n ASP 220 N -5.04 0.00 -0.37 -2.11 10.43 0.22 -1.84 116.55 117.83 3m9i n ASP 220 Ca -0.08 0.20 0.29 0.00 2.57 0.00 0.00 54.79 57.77 3m9i n ASP 220 Cb 0.14 0.00 0.55 0.00 1.84 0.00 0.00 41.12 43.65 3m9i n ASP 220 CO 0.00 0.00 0.00 -0.26 -1.07 0.00 0.00 177.20 175.87 3m9i h PHE 221 N 0.00 0.74 0.00 1.24 -1.00 -1.36 -2.07 116.94 114.49 3m9i h PHE 221 Ca 0.00 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.81 3m9i h PHE 221 Cb 0.00 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.37 3m9i h PHE 221 CO 0.00 -0.19 0.00 1.28 -1.61 0.00 0.00 178.31 177.79 3m9i n LEU 222 N -4.89 0.00 -0.09 1.54 4.77 -1.09 -4.50 117.00 112.75 3m9i n LEU 222 Ca 0.34 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 3m9i n LEU 222 Cb 1.16 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 42.22 3m9i n LEU 222 CO 0.15 0.00 0.50 -0.07 -1.33 0.00 0.00 177.39 176.63 3m9i h LEU 223 N 0.00 -0.63 -6.91 2.23 3.38 -1.41 -3.06 115.31 108.90 3m9i h LEU 223 Ca 0.00 0.09 -0.61 0.00 0.09 0.00 0.00 57.88 57.45 3m9i h LEU 223 Cb 0.00 0.27 -0.41 0.00 0.09 0.00 0.00 40.66 40.61 3m9i h LEU 223 CO 0.00 -0.10 -0.71 0.12 0.09 0.00 0.00 178.44 177.84 3m9i s PHE 224 N -3.81 2.59 0.34 1.13 5.36 -0.77 -5.08 117.98 117.75 3m9i s PHE 224 Ca -0.04 -2.88 -0.05 0.00 -0.96 0.00 0.00 56.93 52.99 3m9i s PHE 224 Cb 0.03 -2.10 0.08 0.00 -0.34 0.00 0.00 43.02 40.69 3m9i s PHE 224 CO 0.19 -0.68 0.19 -2.30 -1.46 0.00 0.00 175.22 171.16 3m9i n PRO 225 N 2.62 -2.17 0.00 10.12 -0.02 -0.78 -4.47 135.00 140.30 3m9i n PRO 225 Ca 0.18 -0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.45 3m9i n PRO 225 Cb 0.38 -0.45 0.09 0.00 -0.02 0.00 0.00 33.50 33.50 3m9i n PRO 225 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35