#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oi8 n PRO 9 N 0.00 -1.22 0.18 1.09 -0.02 -1.26 -4.91 135.00 128.87 2oi8 n PRO 9 Ca 0.00 -0.32 -0.16 0.00 -2.02 0.00 0.00 63.50 61.01 2oi8 n PRO 9 Cb 0.00 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 2oi8 n PRO 9 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oi8 h ARG 10 N -2.07 -0.74 -1.08 -0.52 3.08 -2.10 -2.32 114.38 108.63 2oi8 h ARG 10 Ca -0.51 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.59 2oi8 h ARG 10 Cb 1.31 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.53 2oi8 h ARG 10 CO 0.41 -0.49 0.00 -1.91 -1.07 0.00 0.00 179.97 176.91 2oi8 n GLU 11 N -5.49 0.00 -1.46 0.04 2.13 -1.26 -2.23 120.64 112.36 2oi8 n GLU 11 Ca -0.09 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.56 2oi8 n GLU 11 Cb 0.40 -1.01 0.09 0.00 0.27 0.00 0.00 31.44 31.19 2oi8 n GLU 11 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2oi8 n ARG 12 N 0.64 2.81 0.08 5.31 1.74 -0.88 -3.82 116.66 122.55 2oi8 n ARG 12 Ca 0.00 -3.73 0.12 0.00 -0.77 0.00 0.00 57.85 53.47 2oi8 n ARG 12 Cb 0.00 -2.08 0.45 0.00 -1.02 0.00 0.00 32.46 29.81 2oi8 n ARG 12 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2oi8 n TYR 13 N -0.89 0.61 -0.34 -1.55 4.01 -0.95 -3.63 117.16 114.43 2oi8 n TYR 13 Ca 0.40 0.21 0.08 0.00 -0.16 0.00 0.00 57.90 58.43 2oi8 n TYR 13 Cb 0.90 -0.84 0.24 0.00 -0.31 0.00 0.00 39.34 39.33 2oi8 n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2oi8 h ARG 14 N 0.00 0.83 -0.87 -0.72 3.08 -1.86 -1.45 114.38 113.39 2oi8 h ARG 14 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.09 2oi8 h ARG 14 Cb 0.49 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2oi8 h ARG 14 CO 0.00 0.55 0.56 1.15 -1.07 0.00 0.00 179.97 181.16 2oi8 h THR 15 N 0.85 0.98 -0.09 2.04 2.02 -1.87 -0.59 112.91 116.25 2oi8 h THR 15 Ca 0.49 -0.30 -0.20 0.00 0.77 0.00 0.00 66.41 67.17 2oi8 h THR 15 Cb 0.58 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2oi8 h THR 15 CO -0.30 0.16 -0.78 1.56 0.37 0.00 0.00 175.52 176.53 2oi8 h GLN 16 N 0.87 0.52 -0.30 6.66 4.20 -1.52 -1.68 115.11 123.86 2oi8 h GLN 16 Ca 0.40 -0.44 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2oi8 h GLN 16 Cb 0.38 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2oi8 h GLN 16 CO -0.16 1.07 -0.20 -0.24 -0.67 0.00 0.00 178.83 178.63 2oi8 h VAL 17 N 0.34 1.30 -1.00 -0.54 3.04 -0.89 -1.69 116.25 116.82 2oi8 h VAL 17 Ca -0.05 -1.33 0.22 0.00 -1.01 0.00 0.00 66.70 64.53 2oi8 h VAL 17 Cb 1.38 1.49 -0.10 0.00 -2.01 0.00 0.00 31.29 32.05 2oi8 h VAL 17 CO 0.14 0.43 0.62 0.03 -1.01 0.00 0.00 177.57 177.78 2oi8 h ARG 18 N 0.42 0.59 -0.55 4.17 3.08 -1.13 0.29 114.38 121.25 2oi8 h ARG 18 Ca 0.06 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 2oi8 h ARG 18 Cb 0.74 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2oi8 h ARG 18 CO 0.05 0.39 0.03 0.00 -1.07 0.00 0.00 179.97 179.37 2oi8 h ALA 19 N 1.64 1.01 -0.54 0.04 0.00 -0.79 0.15 119.26 120.77 2oi8 h ALA 19 Ca 0.57 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2oi8 h ALA 19 Cb 1.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2oi8 h ALA 19 CO -0.34 0.62 0.05 0.93 0.00 0.00 0.00 179.25 180.51 2oi8 h GLU 20 N 0.86 0.91 -0.07 0.00 4.39 0.24 -0.45 114.58 120.46 2oi8 h GLU 20 Ca 0.16 -0.26 0.02 0.00 0.34 0.00 0.00 59.36 59.62 2oi8 h GLU 20 Cb 0.47 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2oi8 h GLU 20 CO 0.02 0.90 -0.07 0.82 -1.16 0.00 0.00 179.01 179.52 2oi8 h ILE 21 N 0.79 0.79 -0.42 3.13 1.08 -0.15 -0.88 117.51 121.86 2oi8 h ILE 21 Ca 0.16 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.62 2oi8 h ILE 21 Cb 0.46 0.79 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 2oi8 h ILE 21 CO 0.02 0.00 0.24 0.11 -0.69 0.00 0.00 178.15 177.83 2oi8 h LYS 22 N -0.09 0.58 -0.41 2.37 1.57 -0.63 -1.01 116.57 118.95 2oi8 h LYS 22 Ca 0.05 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2oi8 h LYS 22 Cb 0.17 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 2oi8 h LYS 22 CO -0.13 0.44 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.35 2oi8 h ASP 23 N 0.55 -1.35 0.13 0.86 5.19 -0.84 -1.40 116.42 119.56 2oi8 h ASP 23 Ca 0.15 0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.75 2oi8 h ASP 23 Cb 0.02 0.60 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 2oi8 h ASP 23 CO -0.03 -0.36 -0.12 0.45 -3.12 0.00 0.00 179.24 176.07 2oi8 h HIS 24 N -0.31 0.00 -0.77 4.55 3.86 -0.59 -2.18 115.15 119.70 2oi8 h HIS 24 Ca 0.15 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2oi8 h HIS 24 Cb 0.58 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 2oi8 h HIS 24 CO -0.61 0.12 0.33 0.00 0.86 0.00 0.00 177.93 178.63 2oi8 h ALA 25 N 1.88 1.00 -0.50 2.45 0.00 -0.17 -1.76 119.26 122.16 2oi8 h ALA 25 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2oi8 h ALA 25 Cb 0.22 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2oi8 h ALA 25 CO 0.02 0.61 0.33 -1.49 0.00 0.00 0.00 179.25 178.72 2oi8 h TRP 26 N 1.11 0.63 -0.15 0.00 4.06 -0.68 -0.59 115.95 120.33 2oi8 h TRP 26 Ca 0.26 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.27 2oi8 h TRP 26 Cb 0.18 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.07 2oi8 h TRP 26 CO 0.02 0.40 -0.28 0.93 -3.56 0.00 0.00 178.44 175.95 2oi8 h GLU 27 N 0.68 -0.33 -0.80 0.49 5.08 -1.19 0.88 114.58 119.40 2oi8 h GLU 27 Ca 0.18 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2oi8 h GLU 27 Cb -0.08 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 2oi8 h GLU 27 CO -0.04 -0.22 0.53 1.96 -1.00 0.00 0.00 179.01 180.24 2oi8 h GLN 28 N -0.34 0.93 0.33 2.33 4.20 -1.21 0.22 115.11 121.57 2oi8 h GLN 28 Ca 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 2oi8 h GLN 28 Cb 0.50 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2oi8 h GLN 28 CO -0.34 0.62 -0.16 0.82 -0.67 0.00 0.00 178.83 179.10 2oi8 h ILE 29 N 0.96 0.67 -0.34 2.54 2.04 0.30 0.25 117.51 123.93 2oi8 h ILE 29 Ca 0.33 -0.51 0.06 0.00 1.00 0.00 0.00 64.86 65.73 2oi8 h ILE 29 Cb 0.09 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2oi8 h ILE 29 CO -0.10 0.10 -0.46 0.00 0.00 0.00 0.00 178.15 177.69 2oi8 h ALA 30 N -0.20 -0.56 0.15 1.87 0.00 0.12 0.36 119.26 121.01 2oi8 h ALA 30 Ca -0.05 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2oi8 h ALA 30 Cb 0.50 0.93 0.03 0.00 0.00 0.00 0.00 17.79 19.25 2oi8 h ALA 30 CO 0.07 -0.93 -1.11 1.79 0.00 0.00 0.00 179.25 179.07 2oi8 h THR 31 N -0.39 1.36 -0.00 0.00 1.35 -0.62 -3.39 112.91 111.22 2oi8 h THR 31 Ca 0.11 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 2oi8 h THR 31 Cb 0.60 2.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.95 2oi8 h THR 31 CO -0.54 0.74 -0.04 0.00 -0.25 0.00 0.00 175.52 175.43 2oi8 n ALA 32 N -2.68 2.44 0.00 6.62 0.00 0.83 -5.08 120.51 122.64 2oi8 n ALA 32 Ca -0.14 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2oi8 n ALA 32 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 20.29 2oi8 n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi8 n GLY 33 N 0.46 -1.86 3.33 0.00 0.00 0.13 -4.55 105.19 102.70 2oi8 n GLY 33 Ca 0.01 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 2oi8 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi8 n ALA 34 N -0.41 -2.92 0.00 4.61 0.00 -1.26 -2.51 120.51 118.03 2oi8 n ALA 34 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2oi8 n ALA 34 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2oi8 n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2oi8 n SER 35 N 0.32 0.00 0.11 0.00 2.88 -1.26 -4.33 113.62 111.34 2oi8 n SER 35 Ca 0.06 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.70 2oi8 n SER 35 Cb 0.52 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.44 2oi8 n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oi8 n ALA 36 N 0.00 1.52 -1.81 -1.46 0.00 -1.04 -4.81 120.51 112.91 2oi8 n ALA 36 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 2oi8 n ALA 36 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 2oi8 n ALA 36 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2oi8 s LEU 37 N -4.16 4.38 -0.03 0.00 2.96 -1.13 -5.00 118.68 115.71 2oi8 s LEU 37 Ca 0.03 2.64 -0.00 0.00 -0.22 0.00 0.00 54.13 56.58 2oi8 s LEU 37 Cb 0.08 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.24 2oi8 s LEU 37 CO 0.32 -0.95 0.03 -0.94 -1.32 0.00 0.00 176.35 173.48 2oi8 s SER 38 N 2.60 0.52 0.58 3.68 1.04 -1.26 -4.99 113.70 115.86 2oi8 s SER 38 Ca 0.78 0.02 0.28 0.00 0.48 0.00 0.00 55.95 57.51 2oi8 s SER 38 Cb -0.43 -0.15 1.60 0.00 0.10 0.00 0.00 66.02 67.13 2oi8 s SER 38 CO 0.35 -0.15 2.06 -0.07 0.98 0.00 0.00 173.24 176.40 2oi8 h LEU 39 N 7.62 0.00 -0.49 2.42 3.38 -1.98 -2.08 115.31 124.19 2oi8 h LEU 39 Ca -0.35 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.45 2oi8 h LEU 39 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2oi8 h LEU 39 CO 0.39 0.00 -0.55 0.78 0.09 0.00 0.00 178.44 179.15 2oi8 h ASN 40 N 0.00 0.67 -0.42 -0.43 -0.26 -1.95 -0.38 115.58 112.81 2oi8 h ASN 40 Ca 0.12 -0.36 -0.13 0.00 -0.56 0.00 0.00 56.30 55.37 2oi8 h ASN 40 Cb 0.62 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 2oi8 h ASN 40 CO -0.00 1.08 -0.24 0.00 -1.06 0.00 0.00 177.43 177.21 2oi8 h ALA 41 N 0.93 0.60 0.19 -0.83 0.00 -1.81 -1.38 119.26 116.96 2oi8 h ALA 41 Ca 0.01 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2oi8 h ALA 41 Cb 1.10 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2oi8 h ALA 41 CO 0.11 0.60 -0.35 0.82 0.00 0.00 0.00 179.25 180.43 2oi8 h ILE 42 N 0.74 0.28 -0.13 0.00 1.08 -1.46 0.40 117.51 118.41 2oi8 h ILE 42 Ca 0.09 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.60 2oi8 h ILE 42 Cb 0.82 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.79 2oi8 h ILE 42 CO 0.07 0.00 -0.21 0.00 -0.69 0.00 0.00 178.15 177.32 2oi8 h ALA 43 N -0.05 -0.17 -0.78 1.87 0.00 -0.97 0.02 119.26 119.17 2oi8 h ALA 43 Ca 0.01 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2oi8 h ALA 43 Cb 0.62 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2oi8 h ALA 43 CO -0.16 -0.67 0.52 1.57 0.00 0.00 0.00 179.25 180.51 2oi8 h LYS 44 N -0.27 0.95 -0.50 0.00 5.09 -1.18 -0.84 116.57 119.82 2oi8 h LYS 44 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 60.78 2oi8 h LYS 44 Cb 0.42 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 32.53 2oi8 h LYS 44 CO -0.28 0.63 0.00 -2.13 -2.09 0.00 0.00 179.45 175.57 2oi8 n ARG 45 N -4.44 0.19 -2.91 0.07 0.00 0.14 -5.09 116.66 104.62 2oi8 n ARG 45 Ca 0.10 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.85 2oi8 n ARG 45 Cb 0.10 -1.15 -0.01 0.00 0.00 0.00 0.00 32.46 31.39 2oi8 n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2oi8 n GLY 47 N 0.50 0.18 3.80 5.14 0.00 -0.32 -5.07 105.19 109.42 2oi8 n GLY 47 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 2oi8 n GLY 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2oi8 s SER 49 N 0.36 6.14 0.19 1.61 1.04 -1.26 -5.15 113.70 116.63 2oi8 s SER 49 Ca 0.31 0.34 -0.22 0.00 0.48 0.00 0.00 55.95 56.86 2oi8 s SER 49 Cb 0.04 -1.99 0.12 0.00 0.10 0.00 0.00 66.02 64.28 2oi8 s SER 49 CO -0.10 0.33 1.57 1.23 0.98 0.00 0.00 173.24 177.25 2oi8 h GLY 50 N 5.53 -0.19 -0.83 7.32 0.00 -1.93 -0.22 103.07 112.75 2oi8 h GLY 50 Ca -0.50 0.50 0.13 0.00 0.00 0.00 0.00 47.33 47.46 2oi8 h GLY 50 CO 0.63 -0.19 -0.41 -0.56 0.00 0.00 0.00 176.54 176.01 2oi8 h PRO 51 N -0.15 -0.06 -0.90 4.80 0.13 -1.99 -2.71 132.00 131.12 2oi8 h PRO 51 Ca 0.24 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.54 2oi8 h PRO 51 Cb 0.56 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.60 2oi8 h PRO 51 CO -0.75 -0.04 0.48 0.00 -0.23 0.00 0.00 178.00 177.46 2oi8 h ALA 52 N 1.10 1.40 -0.29 -0.56 0.00 -1.48 0.48 119.26 119.92 2oi8 h ALA 52 Ca 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2oi8 h ALA 52 Cb 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2oi8 h ALA 52 CO -0.89 -0.11 0.05 1.25 0.00 0.00 0.00 179.25 179.55 2oi8 h LEU 53 N 0.63 0.38 -0.89 0.00 7.12 -1.23 -1.52 115.31 119.81 2oi8 h LEU 53 Ca 0.51 -0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.45 2oi8 h LEU 53 Cb 0.77 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 2oi8 h LEU 53 CO -0.39 0.40 -0.09 1.88 -0.13 0.00 0.00 178.44 180.12 2oi8 h TYR 54 N 0.41 0.00 0.00 1.25 -1.99 0.15 -1.93 116.97 114.87 2oi8 h TYR 54 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 2oi8 h TYR 54 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 2oi8 h TYR 54 CO 0.01 0.09 0.00 0.54 -0.00 0.00 0.00 178.16 178.79 2oi8 n ARG 55 N -3.17 0.33 -0.10 4.88 1.74 -0.58 -3.18 116.66 116.58 2oi8 n ARG 55 Ca 0.01 0.08 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 2oi8 n ARG 55 Cb 0.42 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 2oi8 n ARG 55 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2oi8 n TYR 56 N -1.26 0.00 -3.59 -1.55 4.01 -0.87 -4.95 117.16 108.94 2oi8 n TYR 56 Ca 0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.62 2oi8 n TYR 56 Cb 0.16 -0.82 -0.16 0.00 -0.31 0.00 0.00 39.34 38.21 2oi8 n TYR 56 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oi8 s PHE 57 N -2.42 0.05 -1.14 -0.72 0.08 -0.78 -5.04 117.98 108.01 2oi8 s PHE 57 Ca -0.19 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.61 2oi8 s PHE 57 Cb 0.06 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.90 2oi8 s PHE 57 CO 0.58 -0.48 2.06 -3.47 -0.10 0.00 0.00 175.22 173.81 2oi8 n ASP 58 N 5.29 3.30 0.00 1.36 2.03 -1.19 -4.18 116.55 123.17 2oi8 n ASP 58 Ca -0.06 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.48 2oi8 n ASP 58 Cb 0.49 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 2oi8 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2oi8 n GLY 59 N 4.44 2.57 0.37 0.27 0.00 -1.26 -4.58 105.19 107.00 2oi8 n GLY 59 Ca 0.50 -1.87 0.15 0.00 0.00 0.00 0.00 46.02 44.81 2oi8 n GLY 59 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2oi8 h ARG 60 N 0.00 0.37 -0.13 1.61 2.43 -1.94 -2.43 114.38 114.29 2oi8 h ARG 60 Ca 0.00 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 2oi8 h ARG 60 Cb 0.00 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 2oi8 h ARG 60 CO 0.00 0.24 -0.77 -0.44 -1.51 0.00 0.00 179.97 177.49 2oi8 h ASP 61 N 0.38 0.80 -0.97 -3.80 3.32 -1.98 0.79 116.42 114.96 2oi8 h ASP 61 Ca 0.34 -0.53 0.09 0.00 0.02 0.00 0.00 57.03 56.95 2oi8 h ASP 61 Cb 0.80 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.04 2oi8 h ASP 61 CO -0.10 1.31 0.61 -0.33 -1.72 0.00 0.00 179.24 179.02 2oi8 h GLU 62 N 0.46 1.02 -0.11 3.56 5.08 -1.69 0.48 114.58 123.37 2oi8 h GLU 62 Ca -0.05 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2oi8 h GLU 62 Cb 1.39 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2oi8 h GLU 62 CO 0.15 0.67 -0.11 1.25 -1.00 0.00 0.00 179.01 179.97 2oi8 h LEU 63 N 1.05 0.29 -0.04 1.33 5.85 -1.25 -2.53 115.31 120.00 2oi8 h LEU 63 Ca 0.45 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2oi8 h LEU 63 Cb 0.30 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2oi8 h LEU 63 CO -0.21 0.72 -0.09 0.40 -0.34 0.00 0.00 178.44 178.91 2oi8 h ILE 64 N -0.14 0.75 -0.64 4.05 1.08 -0.43 -1.70 117.51 120.49 2oi8 h ILE 64 Ca 0.02 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.62 2oi8 h ILE 64 Cb 0.64 0.75 -0.12 0.00 -3.07 0.00 0.00 36.82 35.03 2oi8 h ILE 64 CO 0.03 0.00 -0.10 0.74 -0.69 0.00 0.00 178.15 178.12 2oi8 h THR 65 N -0.14 0.40 -0.67 -0.27 2.02 -0.06 0.21 112.91 114.40 2oi8 h THR 65 Ca 0.05 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 2oi8 h THR 65 Cb 0.21 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 2oi8 h THR 65 CO -0.12 0.01 0.16 -0.33 0.37 0.00 0.00 175.52 175.61 2oi8 h GLU 66 N 0.03 1.05 -0.33 6.66 4.39 -0.98 -1.03 114.58 124.38 2oi8 h GLU 66 Ca 0.32 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2oi8 h GLU 66 Cb 0.50 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2oi8 h GLU 66 CO -0.62 0.93 0.14 -0.07 -1.16 0.00 0.00 179.01 178.22 2oi8 h LEU 67 N 1.00 0.45 -0.52 1.33 3.38 -0.17 -0.56 115.31 120.23 2oi8 h LEU 67 Ca 0.21 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.08 2oi8 h LEU 67 Cb 0.35 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 2oi8 h LEU 67 CO 0.00 0.49 0.24 0.40 0.09 0.00 0.00 178.44 179.66 2oi8 h ILE 68 N 0.39 0.90 -0.47 1.22 2.04 -0.33 -0.44 117.51 120.81 2oi8 h ILE 68 Ca 0.11 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2oi8 h ILE 68 Cb 0.18 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 2oi8 h ILE 68 CO -0.01 0.08 0.30 -0.09 0.00 0.00 0.00 178.15 178.43 2oi8 h ARG 69 N 0.46 0.59 -0.90 2.37 2.43 -1.06 -1.61 114.38 116.66 2oi8 h ARG 69 Ca 0.24 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 2oi8 h ARG 69 Cb 0.20 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 2oi8 h ARG 69 CO -0.20 0.39 0.49 -0.44 -1.51 0.00 0.00 179.97 178.70 2oi8 h ASP 70 N 0.60 1.12 0.20 -3.80 3.32 -0.83 -1.13 116.42 115.91 2oi8 h ASP 70 Ca 0.18 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2oi8 h ASP 70 Cb -0.03 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.23 2oi8 h ASP 70 CO -0.06 0.90 -0.10 0.00 -1.72 0.00 0.00 179.24 178.27 2oi8 h ALA 71 N 1.28 -0.27 -0.94 3.45 0.00 -0.60 -2.46 119.26 119.72 2oi8 h ALA 71 Ca 0.32 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2oi8 h ALA 71 Cb 0.03 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 2oi8 h ALA 71 CO -0.05 -0.55 0.61 1.88 0.00 0.00 0.00 179.25 181.14 2oi8 h TYR 72 N -0.47 1.06 -0.41 0.00 0.05 -1.20 -1.94 116.97 114.06 2oi8 h TYR 72 Ca -0.03 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 2oi8 h TYR 72 Cb 0.36 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2oi8 h TYR 72 CO -0.00 0.50 -0.22 -0.09 -1.05 0.00 0.00 178.16 177.30 2oi8 h ARG 73 N 0.99 0.82 0.00 4.88 2.43 -1.00 -0.60 114.38 121.90 2oi8 h ARG 73 Ca 0.43 -0.33 -0.15 0.00 -0.81 0.00 0.00 59.98 59.12 2oi8 h ARG 73 Cb 0.34 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2oi8 h ARG 73 CO -0.19 0.96 -0.70 0.66 -1.51 0.00 0.00 179.97 179.19 2oi8 h SER 74 N 0.71 0.00 -0.60 -3.80 4.64 -1.18 -1.31 113.55 112.01 2oi8 h SER 74 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 2oi8 h SER 74 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.81 2oi8 h SER 74 CO 0.06 0.70 0.20 -0.61 -0.87 0.00 0.00 176.83 176.31 2oi8 h GLN 75 N 0.00 0.93 -0.43 4.77 4.15 -0.88 -1.85 115.11 121.80 2oi8 h GLN 75 Ca -0.01 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 59.14 2oi8 h GLN 75 Cb 1.36 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 2oi8 h GLN 75 CO 0.09 0.82 -0.05 0.00 -1.93 0.00 0.00 178.83 177.76 2oi8 h ALA 76 N 1.06 1.11 -0.21 3.38 0.00 -0.98 -2.51 119.26 121.12 2oi8 h ALA 76 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2oi8 h ALA 76 Cb 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2oi8 h ALA 76 CO -0.01 0.56 -0.07 -0.44 0.00 0.00 0.00 179.25 179.29 2oi8 h ASP 77 N 0.67 0.42 -0.27 0.00 3.32 -1.03 0.24 116.42 119.78 2oi8 h ASP 77 Ca 0.13 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.85 2oi8 h ASP 77 Cb 0.49 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.86 2oi8 h ASP 77 CO 0.03 0.71 -0.15 -1.28 -1.72 0.00 0.00 179.24 176.83 2oi8 h SER 78 N 0.13 -0.49 0.11 6.45 0.87 -1.27 -1.03 113.55 118.33 2oi8 h SER 78 Ca 0.05 0.11 -0.16 0.00 -1.23 0.00 0.00 61.79 60.56 2oi8 h SER 78 Cb 0.54 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2oi8 h SER 78 CO 0.02 -0.18 -0.59 -0.07 -0.53 0.00 0.00 176.83 175.48 2oi8 h LEU 79 N -0.11 0.55 -0.25 2.23 4.07 -1.26 -2.89 115.31 117.65 2oi8 h LEU 79 Ca 0.15 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 2oi8 h LEU 79 Cb 0.33 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2oi8 h LEU 79 CO -0.35 1.02 0.14 0.03 -1.08 0.00 0.00 178.44 178.20 2oi8 h ARG 80 N 0.37 0.35 -0.85 1.13 3.08 -0.29 -2.34 114.38 115.83 2oi8 h ARG 80 Ca -0.00 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.09 2oi8 h ARG 80 Cb 1.14 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 2oi8 h ARG 80 CO 0.11 0.31 0.55 0.00 -1.07 0.00 0.00 179.97 179.87 2oi8 h ALA 81 N 1.02 1.64 -0.37 0.04 0.00 -1.13 0.21 119.26 120.68 2oi8 h ALA 81 Ca 0.09 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2oi8 h ALA 81 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2oi8 h ALA 81 CO -0.01 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 179.41 2oi8 h ALA 82 N 1.56 0.50 -0.10 0.00 0.00 -1.29 -1.37 119.26 118.57 2oi8 h ALA 82 Ca 0.38 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 2oi8 h ALA 82 Cb 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2oi8 h ALA 82 CO -0.15 0.30 -0.71 0.00 0.00 0.00 0.00 179.25 178.69 2oi8 h ALA 83 N 0.86 0.59 0.00 0.00 0.00 -0.83 -1.11 119.26 118.77 2oi8 h ALA 83 Ca 0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2oi8 h ALA 83 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2oi8 h ALA 83 CO 0.02 0.75 -0.19 0.00 0.00 0.00 0.00 179.25 179.83 2oi8 h ALA 84 N 0.91 1.37 -0.33 0.00 0.00 -0.56 -1.08 119.26 119.57 2oi8 h ALA 84 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oi8 h ALA 84 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2oi8 h ALA 84 CO 0.13 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.48 2oi8 n SER 85 N -3.85 3.35 -0.58 0.00 3.41 -0.52 -4.91 113.62 110.51 2oi8 n SER 85 Ca -0.02 -2.42 -0.08 0.00 -0.26 0.00 0.00 58.87 56.10 2oi8 n SER 85 Cb 0.28 -0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 2oi8 n SER 85 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2oi8 n GLY 86 N 0.49 0.93 3.77 5.00 0.00 -0.41 -5.00 105.19 109.98 2oi8 n GLY 86 Ca 0.15 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2oi8 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi8 s ALA 87 N -2.15 2.57 0.05 4.61 0.00 -0.44 -5.01 121.76 121.39 2oi8 s ALA 87 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2oi8 s ALA 87 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2oi8 s ALA 87 CO 0.00 -1.05 0.00 -0.40 0.00 0.00 0.00 175.76 174.31 2oi8 n ASP 88 N -1.88 0.00 -0.31 0.00 5.75 -1.26 -4.63 116.55 114.22 2oi8 n ASP 88 Ca 0.11 -0.98 0.12 0.00 -0.01 0.00 0.00 54.79 54.03 2oi8 n ASP 88 Cb 0.51 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.90 2oi8 n ASP 88 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2oi8 h LEU 89 N 0.00 0.47 -0.21 -2.12 3.38 -1.97 0.12 115.31 114.97 2oi8 h LEU 89 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2oi8 h LEU 89 Cb 0.00 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 2oi8 h LEU 89 CO 0.00 0.10 -0.19 0.00 0.09 0.00 0.00 178.44 178.44 2oi8 h ALA 90 N 1.66 -0.06 -0.70 1.53 0.00 -1.96 0.27 119.26 120.01 2oi8 h ALA 90 Ca 0.54 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.50 2oi8 h ALA 90 Cb 0.95 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2oi8 h ALA 90 CO -0.46 -0.61 0.32 0.78 0.00 0.00 0.00 179.25 179.27 2oi8 h GLY 91 N -0.20 1.08 0.87 0.00 0.00 -1.16 -1.19 103.07 102.47 2oi8 h GLY 91 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 2oi8 h GLY 91 CO -0.33 0.51 -0.00 1.41 0.00 0.00 0.00 176.54 178.13 2oi8 h LEU 92 N 1.00 0.47 -0.75 3.11 4.07 -0.68 -0.51 115.31 122.02 2oi8 h LEU 92 Ca 0.24 -0.31 0.09 0.00 0.08 0.00 0.00 57.88 57.98 2oi8 h LEU 92 Cb 0.13 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 2oi8 h LEU 92 CO -0.03 0.67 0.40 0.00 -1.08 0.00 0.00 178.44 178.40 2oi8 h ALA 93 N 0.82 1.05 -0.13 1.53 0.00 0.07 -1.15 119.26 121.45 2oi8 h ALA 93 Ca 0.08 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2oi8 h ALA 93 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2oi8 h ALA 93 CO 0.01 0.01 -0.50 0.45 0.00 0.00 0.00 179.25 179.23 2oi8 h HIS 94 N 0.67 0.41 -0.30 0.00 3.86 -0.96 -1.90 115.15 116.94 2oi8 h HIS 94 Ca 0.36 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2oi8 h HIS 94 Cb 0.35 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 2oi8 h HIS 94 CO -0.09 0.77 0.18 0.00 0.86 0.00 0.00 177.93 179.65 2oi8 h ALA 95 N 1.21 0.37 -0.56 2.45 0.00 -0.67 -2.77 119.26 119.29 2oi8 h ALA 95 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2oi8 h ALA 95 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2oi8 h ALA 95 CO 0.08 -0.19 0.23 1.25 0.00 0.00 0.00 179.25 180.62 2oi8 h LEU 96 N 0.37 0.73 -0.16 0.00 5.85 -0.94 -1.82 115.31 119.35 2oi8 h LEU 96 Ca 0.11 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2oi8 h LEU 96 Cb -0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2oi8 h LEU 96 CO -0.05 0.66 0.01 -0.09 -0.34 0.00 0.00 178.44 178.63 2oi8 h ARG 97 N 0.80 0.27 -0.30 1.25 2.43 -1.18 -1.17 114.38 116.49 2oi8 h ARG 97 Ca 0.19 -0.08 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2oi8 h ARG 97 Cb 0.15 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2oi8 h ARG 97 CO -0.02 0.47 -0.30 0.00 -1.51 0.00 0.00 179.97 178.62 2oi8 h ALA 98 N 0.79 0.43 -0.35 2.80 0.00 -1.35 0.39 119.26 121.97 2oi8 h ALA 98 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2oi8 h ALA 98 Cb 0.34 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2oi8 h ALA 98 CO 0.01 0.46 0.12 2.35 0.00 0.00 0.00 179.25 182.19 2oi8 h TRP 99 N 0.47 0.22 0.22 0.00 7.01 -1.34 1.08 115.95 123.61 2oi8 h TRP 99 Ca 0.05 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2oi8 h TRP 99 Cb 0.87 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.88 2oi8 h TRP 99 CO 0.07 0.09 -0.13 0.00 -2.79 0.00 0.00 178.44 175.68 2oi8 h ALA 100 N 1.22 -0.32 0.00 2.65 0.00 -0.86 -2.98 119.26 118.97 2oi8 h ALA 100 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2oi8 h ALA 100 Cb 0.13 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2oi8 h ALA 100 CO -0.16 -0.69 -0.04 -0.07 0.00 0.00 0.00 179.25 178.29 2oi8 h LEU 101 N -0.33 0.00 -1.36 0.00 3.38 0.08 -2.94 115.31 114.15 2oi8 h LEU 101 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2oi8 h LEU 101 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2oi8 h LEU 101 CO 0.03 0.04 -0.27 -0.78 0.09 0.00 0.00 178.44 177.55 2oi8 h ASP 102 N 0.00 0.00 -1.14 -0.43 3.58 0.14 -3.39 116.42 115.18 2oi8 h ASP 102 Ca -0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 2oi8 h ASP 102 Cb 0.76 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 41.63 2oi8 h ASP 102 CO 0.00 0.27 -0.53 -0.62 -2.88 0.00 0.00 179.24 175.48 2oi8 s ASP 103 N -6.42 -1.15 0.41 2.28 -1.08 -1.11 -5.02 116.67 104.58 2oi8 s ASP 103 Ca -0.01 -1.75 0.11 0.00 -0.52 0.00 0.00 52.55 50.38 2oi8 s ASP 103 Cb 0.12 1.67 0.94 0.00 -1.46 0.00 0.00 42.92 44.20 2oi8 s ASP 103 CO 0.65 -0.08 1.97 -0.65 0.52 0.00 0.00 175.17 177.59 2oi8 h PRO 104 N 5.32 0.50 -0.65 4.34 0.11 -1.75 -1.50 132.00 138.37 2oi8 h PRO 104 Ca 0.08 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 2oi8 h PRO 104 Cb 1.10 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 2oi8 h PRO 104 CO 0.06 0.33 0.13 1.96 -0.21 0.00 0.00 178.00 180.26 2oi8 h GLN 105 N 0.51 1.06 -0.62 1.05 1.08 -1.95 -0.51 115.11 115.73 2oi8 h GLN 105 Ca 0.29 -0.27 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 2oi8 h GLN 105 Cb 0.46 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 2oi8 h GLN 105 CO -0.09 0.96 0.13 -0.09 -0.95 0.00 0.00 178.83 178.79 2oi8 h ARG 106 N 0.98 1.01 -0.49 1.46 2.43 -1.69 -2.14 114.38 115.94 2oi8 h ARG 106 Ca 0.20 -0.26 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2oi8 h ARG 106 Cb 0.40 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2oi8 h ARG 106 CO 0.01 0.93 0.24 -0.92 -1.51 0.00 0.00 179.97 178.72 2oi8 h TYR 107 N 0.92 0.44 0.00 2.20 5.03 -0.71 -2.90 116.97 121.95 2oi8 h TYR 107 Ca 0.19 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.48 2oi8 h TYR 107 Cb 0.39 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.54 2oi8 h TYR 107 CO 0.03 0.21 -0.21 0.74 -1.32 0.00 0.00 178.16 177.61 2oi8 h PHE 108 N 0.47 0.00 -0.47 -3.82 0.04 -0.93 0.36 116.94 112.59 2oi8 h PHE 108 Ca 0.22 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 2oi8 h PHE 108 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 2oi8 h PHE 108 CO -0.11 0.21 0.11 1.25 -0.60 0.00 0.00 178.31 179.17 2oi8 h LEU 109 N 0.00 0.67 0.00 1.54 5.85 -1.18 0.23 115.31 122.42 2oi8 h LEU 109 Ca -0.00 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 2oi8 h LEU 109 Cb 1.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2oi8 h LEU 109 CO 0.03 0.67 -0.39 0.40 -0.34 0.00 0.00 178.44 178.81 2oi8 h ILE 110 N 0.70 0.90 -0.02 4.05 1.08 -1.46 -3.42 117.51 119.34 2oi8 h ILE 110 Ca 0.16 -1.80 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2oi8 h ILE 110 Cb 0.27 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.85 2oi8 h ILE 110 CO -0.00 0.31 -0.21 0.49 -0.69 0.00 0.00 178.15 178.04 2oi8 n PHE 111 N -4.61 0.00 -1.22 1.37 3.72 0.12 -4.96 117.46 111.90 2oi8 n PHE 111 Ca -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2oi8 n PHE 111 Cb 0.39 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2oi8 n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oi8 n GLY 112 N 1.38 2.76 3.68 1.37 0.00 0.07 -4.95 105.19 109.49 2oi8 n GLY 112 Ca 0.12 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 2oi8 n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oi8 s THR 113 N 2.81 3.11 0.71 2.61 2.01 -1.26 -4.95 115.64 120.69 2oi8 s THR 113 Ca 0.00 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2oi8 s THR 113 Cb 0.00 -3.29 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2oi8 s THR 113 CO 0.00 -0.01 1.21 -2.65 -0.69 0.00 0.00 174.62 172.48 2oi8 n PRO 114 N 6.10 0.70 -2.90 4.92 -0.02 -1.26 -4.93 135.00 137.61 2oi8 n PRO 114 Ca 0.17 0.30 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2oi8 n PRO 114 Cb 0.41 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.40 2oi8 n PRO 114 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2oi8 s VAL 115 N -1.70 4.85 0.28 -1.45 1.01 -1.26 -4.98 120.40 117.14 2oi8 s VAL 115 Ca 0.78 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 64.02 2oi8 s VAL 115 Cb -0.35 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 31.81 2oi8 s VAL 115 CO 0.45 -0.05 1.60 -2.84 0.00 0.00 0.00 175.10 174.27 2oi8 s PRO 116 N 2.67 4.13 0.00 2.72 0.02 -1.26 -2.14 135.00 141.14 2oi8 s PRO 116 Ca 0.35 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2oi8 s PRO 116 Cb -0.16 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.33 2oi8 s PRO 116 CO 0.08 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.53 2oi8 n GLY 117 N 2.44 3.01 3.67 0.52 0.00 -1.26 -4.94 105.19 108.64 2oi8 n GLY 117 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2oi8 n GLY 117 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2oi8 s TYR 118 N -1.61 3.44 -0.17 1.61 5.04 -0.91 -5.04 117.35 119.71 2oi8 s TYR 118 Ca 0.00 1.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.99 2oi8 s TYR 118 Cb 0.00 -3.09 -0.01 0.00 0.35 0.00 0.00 41.96 39.22 2oi8 s TYR 118 CO 0.00 -0.26 -0.11 1.03 -1.34 0.00 0.00 175.55 174.87 2oi8 s ARG 119 N 2.21 3.33 0.62 4.97 0.52 -1.26 -4.83 118.95 124.50 2oi8 s ARG 119 Ca 0.42 -0.69 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 2oi8 s ARG 119 Cb -0.17 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 2oi8 s ARG 119 CO 0.13 0.03 1.06 0.00 0.02 0.00 0.00 175.30 176.54 2oi8 s ALA 120 N 0.84 2.70 0.45 2.13 0.00 -1.26 -5.05 121.76 121.56 2oi8 s ALA 120 Ca -0.04 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 2oi8 s ALA 120 Cb -0.15 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 2oi8 s ALA 120 CO 0.00 -0.92 1.04 -2.14 0.00 0.00 0.00 175.76 173.75 2oi8 s PRO 121 N -4.21 3.96 0.66 0.00 0.02 -1.26 -4.93 135.00 129.24 2oi8 s PRO 121 Ca 0.63 1.43 0.20 0.00 0.02 0.00 0.00 61.00 63.28 2oi8 s PRO 121 Cb -0.16 -2.29 1.09 0.00 0.02 0.00 0.00 34.50 33.15 2oi8 s PRO 121 CO 0.40 -0.31 1.61 -0.44 -0.33 0.00 0.00 177.00 177.93 2oi8 h ASP 122 N 1.97 0.00 -0.17 2.53 3.32 -2.03 -2.30 116.42 119.73 2oi8 h ASP 122 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2oi8 h ASP 122 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2oi8 h ASP 122 CO 0.60 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 2oi8 n ASP 123 N -2.79 1.01 0.03 6.45 5.68 -1.26 -2.65 116.55 123.01 2oi8 n ASP 123 Ca -0.01 -2.01 -0.14 0.00 -0.50 0.00 0.00 54.79 52.13 2oi8 n ASP 123 Cb 0.61 -0.14 -0.14 0.00 -1.14 0.00 0.00 41.12 40.31 2oi8 n ASP 123 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2oi8 h ILE 124 N 1.01 1.03 0.12 2.12 1.08 -1.80 -2.85 117.51 118.22 2oi8 h ILE 124 Ca 0.00 -2.76 -0.28 0.00 -0.39 0.00 0.00 64.86 61.43 2oi8 h ILE 124 Cb 0.27 2.62 0.01 0.00 -3.07 0.00 0.00 36.82 36.65 2oi8 h ILE 124 CO 0.01 0.74 -1.22 0.74 -0.69 0.00 0.00 178.15 177.72 2oi8 h THR 125 N 0.04 1.44 0.00 -0.27 2.02 -1.78 -2.77 112.91 111.58 2oi8 h THR 125 Ca -0.26 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.07 2oi8 h THR 125 Cb 1.99 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 71.24 2oi8 h THR 125 CO 0.12 0.84 0.00 -0.62 0.37 0.00 0.00 175.52 176.23 2oi8 n GLU 126 N -3.62 0.02 -0.06 6.66 4.71 -1.08 -0.20 120.64 127.07 2oi8 n GLU 126 Ca -0.10 0.33 0.05 0.00 -0.01 0.00 0.00 57.16 57.43 2oi8 n GLU 126 Cb 1.00 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 30.01 2oi8 n GLU 126 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 2oi8 n ILE 127 N -1.46 0.36 -0.01 -3.67 -5.35 -1.07 -4.54 119.36 103.61 2oi8 n ILE 127 Ca 0.02 -0.68 -0.06 0.00 -0.27 0.00 0.00 62.75 61.77 2oi8 n ILE 127 Cb 0.09 0.96 -0.12 0.00 -1.74 0.00 0.00 39.64 38.84 2oi8 n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2oi8 n ALA 128 N 0.55 1.64 0.52 -1.28 0.00 0.72 -4.10 120.51 118.56 2oi8 n ALA 128 Ca 0.08 -0.70 0.09 0.00 0.00 0.00 0.00 53.44 52.91 2oi8 n ALA 128 Cb 0.32 -0.88 0.38 0.00 0.00 0.00 0.00 19.45 19.27 2oi8 n ALA 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi8 n ALA 129 N -2.50 1.74 0.14 0.00 0.00 -1.02 -3.44 120.51 115.43 2oi8 n ALA 129 Ca -0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 2oi8 n ALA 129 Cb 0.98 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 2oi8 n ALA 129 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2oi8 h GLU 130 N 0.00 -0.36 0.00 0.00 5.08 -1.84 0.02 114.58 117.48 2oi8 h GLU 130 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2oi8 h GLU 130 Cb 0.31 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2oi8 h GLU 130 CO 0.00 -0.24 0.00 2.41 -1.00 0.00 0.00 179.01 180.18 2oi8 n THR 131 N -3.31 0.00 0.00 1.13 -1.04 -1.22 -3.41 114.28 106.42 2oi8 n THR 131 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2oi8 n THR 131 Cb 0.15 -0.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2oi8 n THR 131 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2oi8 n ALA 133 N 0.08 0.00 -0.04 2.41 0.00 -0.01 -3.42 120.51 119.53 2oi8 n ALA 133 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2oi8 n ALA 133 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2oi8 n ALA 133 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2oi8 h VAL 134 N 0.00 1.15 -0.40 0.00 2.07 -1.84 -0.10 116.25 117.13 2oi8 h VAL 134 Ca 0.00 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2oi8 h VAL 134 Cb 0.00 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2oi8 h VAL 134 CO 0.00 0.14 0.21 0.40 0.02 0.00 0.00 177.57 178.34 2oi8 h ILE 135 N 0.14 0.99 -0.17 4.57 1.08 -1.89 -1.74 117.51 120.49 2oi8 h ILE 135 Ca 0.06 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 2oi8 h ILE 135 Cb 0.15 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 2oi8 h ILE 135 CO -0.01 0.08 -0.09 0.58 -0.69 0.00 0.00 178.15 178.02 2oi8 h VAL 136 N 0.42 0.71 -0.69 1.67 2.07 -1.84 -0.97 116.25 117.62 2oi8 h VAL 136 Ca 0.17 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.79 2oi8 h VAL 136 Cb 0.06 0.71 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 2oi8 h VAL 136 CO -0.11 0.00 -0.43 0.44 0.02 0.00 0.00 177.57 177.49 2oi8 h ASP 137 N -0.08 -1.52 -0.28 0.57 3.32 -0.18 -0.96 116.42 117.28 2oi8 h ASP 137 Ca 0.10 0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.44 2oi8 h ASP 137 Cb 0.22 0.71 -0.03 0.00 0.22 0.00 0.00 39.33 40.46 2oi8 h ASP 137 CO -0.22 -0.32 0.11 0.00 -1.72 0.00 0.00 179.24 177.09 2oi8 h ALA 138 N 0.76 0.33 0.00 3.45 0.00 -0.79 -2.40 119.26 120.60 2oi8 h ALA 138 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2oi8 h ALA 138 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2oi8 h ALA 138 CO -0.76 -0.29 0.03 0.00 0.00 0.00 0.00 179.25 178.22 2oi8 n ALA 140 N -1.28 4.89 0.07 0.00 0.00 -0.90 -4.64 120.51 118.65 2oi8 n ALA 140 Ca 0.00 -4.16 0.01 0.00 0.00 0.00 0.00 53.44 49.29 2oi8 n ALA 140 Cb 0.03 -3.18 -0.01 0.00 0.00 0.00 0.00 19.45 16.29 2oi8 n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2oi8 n ALA 141 N 5.20 2.21 -2.17 0.00 0.00 -1.06 -5.06 120.51 119.64 2oi8 n ALA 141 Ca 0.43 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.58 2oi8 n ALA 141 Cb 0.39 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.80 2oi8 n ALA 141 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2oi8 s GLY 147 N -1.25 1.62 -0.12 0.00 0.00 -1.26 -5.17 107.32 101.15 2oi8 s GLY 147 Ca 0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 2oi8 s GLY 147 CO 0.07 -0.71 0.03 -1.59 0.00 0.00 0.00 173.10 170.90 2oi8 s THR 148 N -2.78 4.54 0.90 0.90 2.01 -1.26 -5.04 115.64 114.90 2oi8 s THR 148 Ca 0.52 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 2oi8 s THR 148 Cb -0.10 -2.96 0.05 0.00 0.01 0.00 0.00 72.50 69.50 2oi8 s THR 148 CO 0.41 0.56 0.66 -0.90 -0.69 0.00 0.00 174.62 174.66 2oi8 n ASP 149 N 2.59 -1.15 0.00 3.53 5.68 -1.26 -4.68 116.55 121.26 2oi8 n ASP 149 Ca -0.18 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 2oi8 n ASP 149 Cb 0.53 -1.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.22 2oi8 n ASP 149 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2oi8 n GLY 150 N 1.17 4.07 0.30 6.12 0.00 -1.26 -4.92 105.19 110.67 2oi8 n GLY 150 Ca 0.09 -1.35 0.03 0.00 0.00 0.00 0.00 46.02 44.79 2oi8 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oi8 h ALA 151 N 0.00 1.60 -0.15 4.61 0.00 -2.01 -2.95 119.26 120.37 2oi8 h ALA 151 Ca 0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 2oi8 h ALA 151 Cb 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.62 2oi8 h ALA 151 CO 0.00 0.33 -0.59 0.35 0.00 0.00 0.00 179.25 179.34 2oi8 h PHE 152 N 0.59 0.89 -0.56 0.00 3.57 -1.98 -2.97 116.94 116.47 2oi8 h PHE 152 Ca 0.15 -0.37 0.11 0.00 3.53 0.00 0.00 57.97 61.39 2oi8 h PHE 152 Cb 0.03 -0.14 -0.09 0.00 2.79 0.00 0.00 35.95 38.53 2oi8 h PHE 152 CO 0.00 1.17 -0.01 -0.44 -2.23 0.00 0.00 178.31 176.81 2oi8 h ASP 153 N 0.35 -0.26 -0.67 0.41 3.32 -1.85 -0.62 116.42 117.09 2oi8 h ASP 153 Ca -0.03 0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.26 2oi8 h ASP 153 Cb 1.22 0.25 -0.07 0.00 0.22 0.00 0.00 39.33 40.95 2oi8 h ASP 153 CO 0.12 -0.10 0.30 0.00 -1.72 0.00 0.00 179.24 177.84 2oi8 h ALA 154 N 1.51 0.91 -0.73 3.45 0.00 -1.49 -0.65 119.26 122.27 2oi8 h ALA 154 Ca 0.29 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2oi8 h ALA 154 Cb 0.45 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2oi8 h ALA 154 CO -0.48 -0.13 0.48 1.25 0.00 0.00 0.00 179.25 180.37 2oi8 h HIS 155 N 0.50 0.90 0.00 0.00 -0.00 -1.16 -3.09 115.15 112.31 2oi8 h HIS 155 Ca 0.34 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.73 2oi8 h HIS 155 Cb 0.40 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2oi8 h HIS 155 CO -0.14 0.56 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.28 2oi8 h LEU 156 N 0.97 0.00 -0.91 0.26 4.07 0.38 -2.40 115.31 117.68 2oi8 h LEU 156 Ca 0.27 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.12 2oi8 h LEU 156 Cb -0.09 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2oi8 h LEU 156 CO -0.07 0.01 -0.36 0.44 -1.08 0.00 0.00 178.44 177.38 2oi8 h ASP 157 N 0.00 0.37 0.23 -0.43 3.32 -1.38 -2.52 116.42 116.02 2oi8 h ASP 157 Ca -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2oi8 h ASP 157 Cb 0.35 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2oi8 h ASP 157 CO 0.00 0.71 -0.77 1.07 -1.72 0.00 0.00 179.24 178.53 2oi8 n THR 158 N -4.06 0.00 -3.62 0.35 5.66 -1.03 -4.74 114.28 106.84 2oi8 n THR 158 Ca -0.01 -0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.72 2oi8 n THR 158 Cb 0.46 0.65 -0.10 0.00 -1.55 0.00 0.00 70.33 69.78 2oi8 n THR 158 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2oi8 n HIS 159 N -1.50 1.67 -1.39 1.09 8.25 -0.93 -4.85 115.22 117.55 2oi8 n HIS 159 Ca 0.05 -3.91 0.00 0.00 -0.26 0.00 0.00 57.72 53.60 2oi8 n HIS 159 Cb 0.33 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.13 2oi8 n HIS 159 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2oi8 n ARG 160 N 2.04 0.00 0.10 -0.41 1.85 -1.23 -4.62 116.66 114.39 2oi8 n ARG 160 Ca 0.25 -0.18 0.01 0.00 -1.00 0.00 0.00 57.85 56.92 2oi8 n ARG 160 Cb 0.41 -0.30 0.03 0.00 -1.05 0.00 0.00 32.46 31.55 2oi8 n ARG 160 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2oi8 n GLN 161 N 0.00 0.01 -0.89 2.89 1.13 -1.26 -0.80 117.38 118.46 2oi8 n GLN 161 Ca 0.00 0.31 -0.18 0.00 -1.94 0.00 0.00 57.00 55.18 2oi8 n GLN 161 Cb 0.40 -2.14 0.06 0.00 0.11 0.00 0.00 30.24 28.67 2oi8 n GLN 161 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 2oi8 n TRP 162 N -1.49 1.81 -1.28 1.08 4.27 -1.26 -5.04 117.44 115.53 2oi8 n TRP 162 Ca -0.00 -1.91 0.00 0.00 -3.89 0.00 0.00 57.50 51.70 2oi8 n TRP 162 Cb 0.60 -0.93 0.00 0.00 -1.36 0.00 0.00 31.31 29.62 2oi8 n TRP 162 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2oi8 n ALA 163 N -0.03 0.78 -1.15 -1.67 0.00 0.02 -4.93 120.51 113.53 2oi8 n ALA 163 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 2oi8 n ALA 163 Cb 0.75 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.15 2oi8 n ALA 163 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2oi8 n ASP 165 N 0.00 7.45 -3.78 0.00 9.92 -1.26 -5.07 116.55 123.81 2oi8 n ASP 165 Ca 0.00 -2.50 -0.29 0.00 -0.53 0.00 0.00 54.79 51.47 2oi8 n ASP 165 Cb 0.27 -1.45 -0.16 0.00 -0.64 0.00 0.00 41.12 39.15 2oi8 n ASP 165 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 2oi8 s ARG 166 N 2.13 0.88 0.00 -1.24 3.00 -1.26 -4.96 118.95 117.51 2oi8 s ARG 166 Ca 0.64 -0.79 0.02 0.00 -1.00 0.00 0.00 55.73 54.61 2oi8 s ARG 166 Cb 0.19 -2.18 0.04 0.00 0.00 0.00 0.00 34.95 33.00 2oi8 s ARG 166 CO -0.04 -0.76 0.84 -0.35 0.00 0.00 0.00 175.30 174.99 2oi8 n PRO 167 N 4.89 1.39 -1.72 5.12 -0.05 -1.26 -5.00 135.00 138.37 2oi8 n PRO 167 Ca -0.07 -1.19 -0.43 0.00 -0.05 0.00 0.00 63.50 61.77 2oi8 n PRO 167 Cb 0.45 -1.05 -0.01 0.00 -0.05 0.00 0.00 33.50 32.84 2oi8 n PRO 167 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2oi8 n ALA 168 N -0.11 1.72 -1.77 0.55 0.00 -1.26 -4.93 120.51 114.71 2oi8 n ALA 168 Ca 0.02 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.43 2oi8 n ALA 168 Cb 0.19 -2.33 0.01 0.00 0.00 0.00 0.00 19.45 17.32 2oi8 n ALA 168 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2oi8 s PRO 169 N -1.33 3.77 0.65 0.00 0.04 -1.26 -4.81 135.00 132.06 2oi8 s PRO 169 Ca 0.59 2.42 0.32 0.00 0.04 0.00 0.00 61.00 64.37 2oi8 s PRO 169 Cb -0.55 -2.71 1.75 0.00 0.04 0.00 0.00 34.50 33.03 2oi8 s PRO 169 CO 0.57 -0.75 2.01 0.77 0.04 0.00 0.00 177.00 179.64 2oi8 h SER 170 N 2.45 0.00 -0.13 6.66 0.02 -1.91 0.18 113.55 120.82 2oi8 h SER 170 Ca -0.51 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.40 2oi8 h SER 170 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2oi8 h SER 170 CO 0.62 0.00 -0.03 0.77 -1.14 0.00 0.00 176.83 177.05 2oi8 h SER 171 N 0.00 0.35 -0.38 3.07 4.64 -1.88 0.71 113.55 120.07 2oi8 h SER 171 Ca 0.03 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.19 2oi8 h SER 171 Cb 0.59 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 2oi8 h SER 171 CO -0.00 0.44 -0.14 0.00 -0.87 0.00 0.00 176.83 176.26 2oi8 h ALA 172 N 1.61 0.91 -0.44 5.18 0.00 -0.90 0.15 119.26 125.76 2oi8 h ALA 172 Ca 0.08 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2oi8 h ALA 172 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2oi8 h ALA 172 CO 0.01 0.63 -0.29 -0.07 0.00 0.00 0.00 179.25 179.53 2oi8 h LEU 173 N 0.75 1.02 -0.02 0.00 3.38 -1.35 -0.64 115.31 118.45 2oi8 h LEU 173 Ca 0.12 -0.43 0.01 0.00 0.09 0.00 0.00 57.88 57.67 2oi8 h LEU 173 Cb 0.65 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2oi8 h LEU 173 CO 0.05 1.22 -0.02 -0.74 0.09 0.00 0.00 178.44 179.04 2oi8 h HIS 174 N 0.82 -0.05 -0.50 1.13 2.76 -0.72 -1.06 115.15 117.53 2oi8 h HIS 174 Ca 0.09 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 2oi8 h HIS 174 Cb 0.88 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.81 2oi8 h HIS 174 CO 0.06 -0.04 0.19 -0.09 -1.30 0.00 0.00 177.93 176.76 2oi8 h ARG 175 N -0.03 0.37 -0.44 5.26 2.43 -0.62 -1.23 114.38 120.12 2oi8 h ARG 175 Ca 0.02 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2oi8 h ARG 175 Cb 0.05 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2oi8 h ARG 175 CO -0.04 0.25 0.17 0.00 -1.51 0.00 0.00 179.97 178.84 2oi8 h ALA 176 N 1.32 0.53 -0.87 2.80 0.00 -0.76 -0.23 119.26 122.05 2oi8 h ALA 176 Ca 0.24 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2oi8 h ALA 176 Cb 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2oi8 h ALA 176 CO -0.23 -0.21 0.50 -0.07 0.00 0.00 0.00 179.25 179.24 2oi8 h LEU 177 N 0.35 1.07 -0.81 0.00 3.38 -0.96 -1.40 115.31 116.93 2oi8 h LEU 177 Ca 0.20 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2oi8 h LEU 177 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2oi8 h LEU 177 CO -0.19 0.84 0.25 0.28 0.09 0.00 0.00 178.44 179.71 2oi8 h SER 178 N 1.21 1.06 0.10 -0.43 0.02 -0.73 -0.88 113.55 113.90 2oi8 h SER 178 Ca 0.31 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2oi8 h SER 178 Cb -0.01 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2oi8 h SER 178 CO -0.05 0.97 -0.05 0.15 -1.14 0.00 0.00 176.83 176.71 2oi8 h PHE 179 N 1.10 -0.13 -0.12 3.45 3.04 -0.85 -0.40 116.94 123.03 2oi8 h PHE 179 Ca 0.24 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.23 2oi8 h PHE 179 Cb 0.28 0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.78 2oi8 h PHE 179 CO 0.02 -0.02 -0.18 2.35 -2.02 0.00 0.00 178.31 178.46 2oi8 h TRP 180 N -0.20 -0.47 0.10 0.41 -0.00 -1.03 -2.28 115.95 112.48 2oi8 h TRP 180 Ca -0.01 0.02 -0.20 0.00 -0.00 0.00 0.00 58.89 58.70 2oi8 h TRP 180 Cb 0.16 0.23 0.02 0.00 -0.00 0.00 0.00 29.16 29.57 2oi8 h TRP 180 CO -0.05 -0.26 -0.86 0.66 -0.00 0.00 0.00 178.44 177.93 2oi8 h SER 181 N -0.23 0.58 -0.52 2.65 4.64 -1.15 -2.50 113.55 117.02 2oi8 h SER 181 Ca 0.10 -0.87 0.06 0.00 -0.47 0.00 0.00 61.79 60.60 2oi8 h SER 181 Cb 0.37 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 2oi8 h SER 181 CO -0.26 1.40 0.23 0.03 -0.87 0.00 0.00 176.83 177.36 2oi8 h ARG 182 N -0.16 0.43 -0.00 4.77 3.08 -1.08 -1.00 114.38 120.43 2oi8 h ARG 182 Ca -0.14 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 2oi8 h ARG 182 Cb 1.62 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 2oi8 h ARG 182 CO 0.16 0.29 -0.80 -0.07 -1.07 0.00 0.00 179.97 178.48 2oi8 h LEU 183 N 0.45 0.09 -0.84 3.04 3.38 -1.47 -2.96 115.31 117.00 2oi8 h LEU 183 Ca 0.24 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2oi8 h LEU 183 Cb 0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2oi8 h LEU 183 CO -0.20 0.85 -0.42 0.45 0.09 0.00 0.00 178.44 179.21 2oi8 h HIS 184 N 0.04 0.40 -0.19 1.13 3.86 -1.36 -0.41 115.15 118.62 2oi8 h HIS 184 Ca -0.02 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.12 2oi8 h HIS 184 Cb 1.41 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 2oi8 h HIS 184 CO 0.01 0.71 -0.05 0.78 0.86 0.00 0.00 177.93 180.24 2oi8 h GLY 185 N 1.19 0.14 1.31 2.45 0.00 -1.03 0.18 103.07 107.31 2oi8 h GLY 185 Ca 0.02 0.06 -0.27 0.00 0.00 0.00 0.00 47.33 47.15 2oi8 h GLY 185 CO 0.07 -0.07 -1.09 -0.24 0.00 0.00 0.00 176.54 175.21 2oi8 h VAL 186 N 0.00 1.31 -0.33 4.60 3.04 -1.48 -2.50 116.25 120.90 2oi8 h VAL 186 Ca 0.09 -2.38 0.00 0.00 -1.01 0.00 0.00 66.70 63.40 2oi8 h VAL 186 Cb 0.14 2.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 2oi8 h VAL 186 CO -0.20 0.73 0.21 -0.07 -1.01 0.00 0.00 177.57 177.22 2oi8 h LEU 187 N 0.32 0.39 -0.05 3.16 3.38 -0.85 -0.27 115.31 121.38 2oi8 h LEU 187 Ca -0.14 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2oi8 h LEU 187 Cb 1.75 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.38 2oi8 h LEU 187 CO 0.21 0.31 -0.72 0.77 0.09 0.00 0.00 178.44 179.10 2oi8 h SER 188 N 0.43 0.00 -0.62 -0.43 4.64 -0.74 -0.00 113.55 116.83 2oi8 h SER 188 Ca 0.12 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 2oi8 h SER 188 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2oi8 h SER 188 CO -0.02 0.72 0.12 -0.07 -0.87 0.00 0.00 176.83 176.70 2oi8 h LEU 189 N 0.00 0.98 -0.05 5.97 3.38 -1.27 0.43 115.31 124.74 2oi8 h LEU 189 Ca -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 2oi8 h LEU 189 Cb 1.53 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2oi8 h LEU 189 CO 0.09 0.98 -0.05 1.05 0.09 0.00 0.00 178.44 180.60 2oi8 h GLU 190 N 0.93 0.13 -0.01 1.13 4.11 -0.90 -0.95 114.58 119.03 2oi8 h GLU 190 Ca 0.19 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.55 2oi8 h GLU 190 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2oi8 h GLU 190 CO 0.01 0.59 0.01 -0.07 0.07 0.00 0.00 179.01 179.61 2oi8 h LEU 191 N -0.33 0.00 -0.26 3.06 3.38 -0.98 -1.35 115.31 118.83 2oi8 h LEU 191 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2oi8 h LEU 191 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2oi8 h LEU 191 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2oi8 n ALA 192 N -2.46 2.65 -0.84 1.53 0.00 0.15 -4.92 120.51 116.63 2oi8 n ALA 192 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2oi8 n ALA 192 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2oi8 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oi8 n GLY 193 N 1.03 0.50 0.09 0.00 0.00 -0.51 -4.97 105.19 101.33 2oi8 n GLY 193 Ca 0.22 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.59 2oi8 n GLY 193 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oi8 n GLN 194 N -2.84 0.41 -0.06 1.61 1.13 -0.37 -3.31 117.38 113.95 2oi8 n GLN 194 Ca 0.00 -0.18 0.04 0.00 -1.94 0.00 0.00 57.00 54.93 2oi8 n GLN 194 Cb 0.00 -1.50 0.07 0.00 0.11 0.00 0.00 30.24 28.92 2oi8 n GLN 194 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2oi8 n PHE 195 N -1.14 0.15 -1.69 1.08 3.72 -1.26 -4.96 117.46 113.36 2oi8 n PHE 195 Ca 0.10 -0.21 -0.44 0.00 -0.05 0.00 0.00 57.45 56.85 2oi8 n PHE 195 Cb 0.32 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 2oi8 n PHE 195 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2oi8 n THR 196 N 0.41 0.37 -2.82 4.37 -1.04 -1.21 -3.89 114.28 110.47 2oi8 n THR 196 Ca 0.07 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.05 61.93 2oi8 n THR 196 Cb 0.29 -1.68 0.03 0.00 -1.82 0.00 0.00 70.33 67.14 2oi8 n THR 196 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oi8 n GLY 197 N 3.06 -0.91 0.00 3.41 0.00 -1.26 -5.14 105.19 104.35 2oi8 n GLY 197 Ca 0.14 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2oi8 n GLY 197 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oi8 n GLY 199 N -1.46 0.00 3.99 -0.02 0.00 -1.25 -5.23 105.19 101.21 2oi8 n GLY 199 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 2oi8 n GLY 199 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2oi8 s PHE 200 N 0.00 1.93 -0.65 1.61 -0.12 -1.26 -5.05 117.98 114.44 2oi8 s PHE 200 Ca 0.00 -0.24 -0.12 0.00 -0.05 0.00 0.00 56.93 56.52 2oi8 s PHE 200 Cb 0.00 -2.85 0.17 0.00 -0.63 0.00 0.00 43.02 39.70 2oi8 s PHE 200 CO 0.00 -1.43 0.56 0.34 -0.05 0.00 0.00 175.22 174.64 2oi8 s ASP 201 N -4.64 6.15 0.54 1.98 -1.08 -1.26 -4.92 116.67 113.43 2oi8 s ASP 201 Ca 0.63 -2.34 0.27 0.00 -0.52 0.00 0.00 52.55 50.60 2oi8 s ASP 201 Cb -0.07 -2.11 1.43 0.00 -1.46 0.00 0.00 42.92 40.72 2oi8 s ASP 201 CO 0.42 -0.63 1.97 0.77 0.52 0.00 0.00 175.17 178.22 2oi8 h SER 202 N 8.06 0.00 -0.45 -0.34 4.64 -1.96 0.31 113.55 123.82 2oi8 h SER 202 Ca -0.08 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2oi8 h SER 202 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2oi8 h SER 202 CO 0.84 0.00 0.30 0.00 -0.87 0.00 0.00 176.83 177.10 2oi8 h ALA 203 N 1.68 1.95 0.07 5.18 0.00 -1.99 0.11 119.26 126.27 2oi8 h ALA 203 Ca 0.28 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 2oi8 h ALA 203 Cb 1.15 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.88 2oi8 h ALA 203 CO -0.00 -0.03 -0.94 -0.07 0.00 0.00 0.00 179.25 178.20 2oi8 h LEU 204 N 0.36 0.70 -0.64 0.00 4.07 -0.80 -1.36 115.31 117.64 2oi8 h LEU 204 Ca 0.19 -0.82 0.13 0.00 0.08 0.00 0.00 57.88 57.47 2oi8 h LEU 204 Cb 0.31 -0.22 -0.12 0.00 1.08 0.00 0.00 40.66 41.71 2oi8 h LEU 204 CO -0.05 1.44 -0.07 0.25 -1.08 0.00 0.00 178.44 178.93 2oi8 h LEU 205 N 0.05 -0.43 -0.25 1.67 5.85 -1.13 0.30 115.31 121.36 2oi8 h LEU 205 Ca -0.14 0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2oi8 h LEU 205 Cb 1.65 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 43.00 2oi8 h LEU 205 CO 0.18 -0.17 0.12 0.15 -0.34 0.00 0.00 178.44 178.38 2oi8 h PHE 206 N 0.06 0.22 -0.71 1.25 3.04 -0.67 0.34 116.94 120.47 2oi8 h PHE 206 Ca 0.33 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.37 2oi8 h PHE 206 Cb 0.53 -0.06 -0.07 0.00 2.56 0.00 0.00 35.95 38.91 2oi8 h PHE 206 CO -0.44 0.12 0.37 0.93 -2.02 0.00 0.00 178.31 177.27 2oi8 h GLU 207 N 0.25 0.63 0.05 1.11 4.39 -0.49 -1.12 114.58 119.41 2oi8 h GLU 207 Ca 0.10 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2oi8 h GLU 207 Cb 0.03 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2oi8 h GLU 207 CO -0.07 0.42 -0.03 0.00 -1.16 0.00 0.00 179.01 178.17 2oi8 h ALA 208 N 1.40 -0.07 -0.85 3.43 0.00 0.27 -0.40 119.26 123.04 2oi8 h ALA 208 Ca 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2oi8 h ALA 208 Cb 0.30 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2oi8 h ALA 208 CO -0.23 -0.50 0.56 0.93 0.00 0.00 0.00 179.25 180.00 2oi8 h GLU 209 N -0.16 1.13 0.37 0.00 4.39 -0.71 0.14 114.58 119.73 2oi8 h GLU 209 Ca -0.01 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2oi8 h GLU 209 Cb 0.14 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2oi8 h GLU 209 CO 0.01 0.75 -0.18 1.25 -1.16 0.00 0.00 179.01 179.69 2oi8 h LEU 210 N 1.16 -0.43 0.13 1.33 5.85 -1.10 -2.76 115.31 119.49 2oi8 h LEU 210 Ca 0.31 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2oi8 h LEU 210 Cb -0.12 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2oi8 h LEU 210 CO -0.07 -0.19 -0.37 0.50 -0.34 0.00 0.00 178.44 177.97 2oi8 h LYS 211 N -0.64 -0.59 -0.57 1.25 3.64 -0.50 -0.07 116.57 119.10 2oi8 h LYS 211 Ca -0.05 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.53 2oi8 h LYS 211 Cb 0.46 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 2oi8 h LYS 211 CO 0.08 -0.39 0.76 0.22 -2.27 0.00 0.00 179.45 177.86 2oi8 h ASP 212 N -0.61 0.00 0.11 4.20 1.82 -1.02 -1.20 116.42 119.72 2oi8 h ASP 212 Ca 0.02 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.31 2oi8 h ASP 212 Cb 0.63 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 2oi8 h ASP 212 CO -0.21 0.00 -2.23 -0.11 -1.61 0.00 0.00 179.24 175.08 2oi8 n LEU 213 N -3.35 1.22 -4.60 2.28 7.94 -0.19 -4.44 117.00 115.87 2oi8 n LEU 213 Ca 0.12 0.08 -0.43 0.00 -1.11 0.00 0.00 56.01 54.67 2oi8 n LEU 213 Cb 0.96 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.78 2oi8 n LEU 213 CO 0.22 0.63 1.43 -0.22 -1.11 0.00 0.00 177.39 178.33 2oi8 s LEU 214 N -6.05 3.52 -0.91 -1.96 0.20 -0.32 -4.10 118.68 109.06 2oi8 s LEU 214 Ca -0.16 1.05 -0.18 0.00 0.69 0.00 0.00 54.13 55.52 2oi8 s LEU 214 Cb 0.07 -3.45 0.03 0.00 -0.43 0.00 0.00 46.19 42.41 2oi8 s LEU 214 CO 0.77 -1.65 0.55 0.61 -0.29 0.00 0.00 176.35 176.34 2oi8 n GLY 215 N 5.32 -0.88 0.00 7.98 0.00 -1.26 -4.96 105.19 111.38 2oi8 n GLY 215 Ca 0.20 0.38 0.16 0.00 0.00 0.00 0.00 46.02 46.76 2oi8 n GLY 215 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77