#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p0t h HIS 23 N 0.00 -0.43 -0.52 1.47 6.17 -2.04 -3.08 115.15 116.72 2p0t h HIS 23 Ca 0.00 0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.18 2p0t h HIS 23 Cb 0.00 0.19 -0.09 0.00 2.52 0.00 0.00 27.41 30.04 2p0t h HIS 23 CO 0.00 -0.24 -0.19 0.00 0.71 0.00 0.00 177.93 178.21 2p0t n ALA 24 N -2.50 -0.02 0.19 5.26 0.00 -1.26 -0.27 120.51 121.91 2p0t n ALA 24 Ca -0.05 0.53 0.05 0.00 0.00 0.00 0.00 53.44 53.97 2p0t n ALA 24 Cb 0.22 -0.26 0.39 0.00 0.00 0.00 0.00 19.45 19.79 2p0t n ALA 24 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2p0t h LEU 25 N 0.00 0.00 0.08 0.00 3.38 -1.92 0.15 115.31 116.99 2p0t h LEU 25 Ca 0.20 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.88 2p0t h LEU 25 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2p0t h LEU 25 CO -0.52 0.36 -1.48 -0.37 0.09 0.00 0.00 178.44 176.52 2p0t h VAL 26 N 0.00 1.18 -0.27 1.22 -1.51 -0.97 -0.32 116.25 115.58 2p0t h VAL 26 Ca -0.00 -2.88 0.02 0.00 -1.23 0.00 0.00 66.70 62.61 2p0t h VAL 26 Cb 0.76 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.60 2p0t h VAL 26 CO 0.05 0.79 0.12 0.44 -1.23 0.00 0.00 177.57 177.74 2p0t h ASP 27 N 0.04 0.17 -0.51 4.19 3.32 -0.43 -1.46 116.42 121.75 2p0t h ASP 27 Ca -0.21 0.02 0.08 0.00 0.02 0.00 0.00 57.03 56.94 2p0t h ASP 27 Cb 1.97 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 41.44 2p0t h ASP 27 CO 0.14 0.13 0.13 0.25 -1.72 0.00 0.00 179.24 178.17 2p0t h LEU 28 N 0.26 0.05 -0.02 1.55 6.46 -0.67 -2.31 115.31 120.64 2p0t h LEU 28 Ca 0.11 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2p0t h LEU 28 Cb 0.05 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 2p0t h LEU 28 CO -0.09 0.05 -0.02 1.23 -0.62 0.00 0.00 178.44 178.99 2p0t h GLY 29 N 0.27 -0.01 1.98 3.75 0.00 -0.71 -2.37 103.07 105.99 2p0t h GLY 29 Ca 0.26 0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.48 2p0t h GLY 29 CO -0.31 -0.03 -0.63 1.05 0.00 0.00 0.00 176.54 176.62 2p0t h GLU 30 N -0.03 0.02 -0.23 4.80 4.11 -1.12 -2.96 114.58 119.18 2p0t h GLU 30 Ca 0.01 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.48 2p0t h GLU 30 Cb 0.05 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2p0t h GLU 30 CO -0.03 0.64 -0.13 -0.09 0.07 0.00 0.00 179.01 179.47 2p0t h ARG 31 N 0.02 -0.11 -1.08 1.06 9.65 -1.10 -2.03 114.38 120.79 2p0t h ARG 31 Ca -0.01 0.01 0.40 0.00 -1.10 0.00 0.00 59.98 59.28 2p0t h ARG 31 Cb 1.11 0.02 -0.16 0.00 -1.39 0.00 0.00 29.97 29.55 2p0t h ARG 31 CO 0.08 -0.07 0.63 -0.07 2.80 0.00 0.00 179.97 183.34 2p0t h LEU 32 N -0.11 0.35 0.00 3.80 4.07 -1.26 0.23 115.31 122.39 2p0t h LEU 32 Ca 0.13 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.30 2p0t h LEU 32 Cb 0.30 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2p0t h LEU 32 CO -0.30 -0.30 0.00 0.41 -1.08 0.00 0.00 178.44 177.17 2p0t n THR 33 N -5.07 0.60 0.61 0.22 -1.04 -0.76 -2.39 114.28 106.45 2p0t n THR 33 Ca 0.36 0.15 0.06 0.00 -2.04 0.00 0.00 64.05 62.59 2p0t n THR 33 Cb 1.25 -0.87 -0.04 0.00 -1.82 0.00 0.00 70.33 68.85 2p0t n THR 33 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2p0t n THR 34 N -1.34 0.00 -3.40 12.58 -1.04 0.82 -5.01 114.28 116.89 2p0t n THR 34 Ca 0.07 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.05 61.47 2p0t n THR 34 Cb 0.15 1.07 -0.06 0.00 -1.82 0.00 0.00 70.33 69.67 2p0t n THR 34 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2p0t s LEU 35 N -2.28 4.30 0.38 -4.42 2.01 -1.00 -5.08 118.68 112.59 2p0t s LEU 35 Ca 0.08 1.00 -0.28 0.00 0.01 0.00 0.00 54.13 54.94 2p0t s LEU 35 Cb 0.10 -3.32 -0.11 0.00 0.01 0.00 0.00 46.19 42.87 2p0t s LEU 35 CO 0.45 0.07 1.46 0.29 1.01 0.00 0.00 176.35 179.63 2p0t n LYS 36 N 0.59 2.57 0.06 1.70 5.02 -1.26 -4.86 118.16 121.99 2p0t n LYS 36 Ca -0.04 0.90 0.01 0.00 -2.02 0.00 0.00 58.31 57.16 2p0t n LYS 36 Cb 0.52 -2.63 0.34 0.00 -0.02 0.00 0.00 35.03 33.24 2p0t n LYS 36 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2p0t h ALA 37 N 2.82 1.44 -0.69 7.82 0.00 -1.98 0.21 119.26 128.89 2p0t h ALA 37 Ca -0.50 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.31 2p0t h ALA 37 Cb 1.25 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.82 2p0t h ALA 37 CO 0.63 0.39 -0.28 -3.47 0.00 0.00 0.00 179.25 176.53 2p0t n ASP 38 N -4.28 -0.47 -0.02 0.00 4.64 -1.26 0.19 116.55 115.36 2p0t n ASP 38 Ca 0.00 1.21 -0.12 0.00 -1.38 0.00 0.00 54.79 54.50 2p0t n ASP 38 Cb 0.26 -0.27 -0.10 0.00 -1.04 0.00 0.00 41.12 39.98 2p0t n ASP 38 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 2p0t h VAL 39 N 0.00 1.27 -0.99 5.18 2.07 -0.97 -3.28 116.25 119.54 2p0t h VAL 39 Ca 0.23 -1.58 0.18 0.00 0.82 0.00 0.00 66.70 66.35 2p0t h VAL 39 Cb 0.40 2.23 -0.10 0.00 -1.52 0.00 0.00 31.29 32.30 2p0t h VAL 39 CO -0.68 0.37 0.61 -0.07 0.02 0.00 0.00 177.57 177.82 2p0t h LEU 40 N -0.83 0.76 -2.61 2.57 3.38 -1.32 -0.29 115.31 116.96 2p0t h LEU 40 Ca -0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2p0t h LEU 40 Cb 0.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2p0t h LEU 40 CO 0.01 0.31 -0.01 0.00 0.09 0.00 0.00 178.44 178.84 2p0t h ALA 41 N 1.62 1.32 0.00 1.53 0.00 -0.31 -1.87 119.26 121.55 2p0t h ALA 41 Ca 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 2p0t h ALA 41 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2p0t h ALA 41 CO -0.33 0.01 -0.64 0.87 0.00 0.00 0.00 179.25 179.17 2p0t h LYS 42 N 0.00 0.00 -6.97 0.00 1.79 -1.15 -3.48 116.57 106.77 2p0t h LYS 42 Ca -0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.02 2p0t h LYS 42 Cb 0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2p0t h LYS 42 CO 0.00 0.00 0.34 -0.51 -1.08 0.00 0.00 179.45 178.20 2p0t s LEU 43 N -5.30 4.13 -1.32 2.94 1.02 -0.70 -5.01 118.68 114.43 2p0t s LEU 43 Ca 0.03 1.75 -0.10 0.00 0.02 0.00 0.00 54.13 55.83 2p0t s LEU 43 Cb 0.09 -4.29 0.14 0.00 0.02 0.00 0.00 46.19 42.15 2p0t s LEU 43 CO 0.74 -0.22 1.97 -0.81 0.02 0.00 0.00 176.35 178.04 2p0t n PRO 44 N -0.08 3.44 -3.35 1.29 -0.04 -1.26 -4.97 135.00 130.02 2p0t n PRO 44 Ca 0.05 -3.30 -0.38 0.00 -0.04 0.00 0.00 63.50 59.83 2p0t n PRO 44 Cb 0.52 -3.01 -0.06 0.00 -0.04 0.00 0.00 33.50 30.91 2p0t n PRO 44 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2p0t s LEU 45 N 0.41 4.36 0.61 1.53 1.43 -1.26 -4.54 118.68 121.22 2p0t s LEU 45 Ca 0.41 0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 54.25 2p0t s LEU 45 Cb 0.11 -2.70 -0.08 0.00 0.03 0.00 0.00 46.19 43.55 2p0t s LEU 45 CO -0.02 0.12 0.42 0.35 0.23 0.00 0.00 176.35 177.45 2p0t n THR 46 N 2.96 1.86 -0.29 5.49 -2.24 -1.26 -4.76 114.28 116.03 2p0t n THR 46 Ca -0.09 -0.48 0.09 0.00 -2.27 0.00 0.00 64.05 61.30 2p0t n THR 46 Cb 0.52 -0.61 0.24 0.00 -2.10 0.00 0.00 70.33 68.38 2p0t n THR 46 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2p0t h ASP 47 N 0.04 0.45 -0.56 3.42 3.45 -1.99 -1.62 116.42 119.61 2p0t h ASP 47 Ca -0.45 0.11 -0.01 0.00 0.43 0.00 0.00 57.03 57.11 2p0t h ASP 47 Cb 1.39 0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 40.18 2p0t h ASP 47 CO 0.45 0.15 0.31 0.00 -1.57 0.00 0.00 179.24 178.58 2p0t h ALA 48 N 1.60 1.44 -0.01 3.45 0.00 -1.99 -0.48 119.26 123.27 2p0t h ALA 48 Ca 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2p0t h ALA 48 Cb 0.76 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2p0t h ALA 48 CO -0.41 0.46 -0.01 1.25 0.00 0.00 0.00 179.25 180.54 2p0t h LEU 49 N 0.81 0.02 -0.86 0.00 5.85 -1.72 -0.49 115.31 118.93 2p0t h LEU 49 Ca 0.21 -0.48 0.18 0.00 0.84 0.00 0.00 57.88 58.63 2p0t h LEU 49 Cb 0.04 -0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 2p0t h LEU 49 CO -0.03 0.49 0.38 0.03 -0.34 0.00 0.00 178.44 178.98 2p0t h ARG 50 N -0.46 0.46 0.36 1.25 3.08 -1.10 0.14 114.38 118.10 2p0t h ARG 50 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2p0t h ARG 50 Cb 0.49 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2p0t h ARG 50 CO 0.00 0.30 -0.17 -0.22 -1.07 0.00 0.00 179.97 178.81 2p0t h LYS 51 N 0.47 -0.47 -1.02 0.04 3.64 -0.94 -1.25 116.57 117.04 2p0t h LYS 51 Ca 0.50 0.03 0.25 0.00 -1.27 0.00 0.00 60.65 60.17 2p0t h LYS 51 Cb 0.86 0.11 -0.12 0.00 -0.41 0.00 0.00 32.23 32.67 2p0t h LYS 51 CO -0.46 -0.16 0.61 0.00 -2.27 0.00 0.00 179.45 177.18 2p0t h ALA 52 N -0.30 1.89 0.00 5.00 0.00 -0.55 0.48 119.26 125.78 2p0t h ALA 52 Ca -0.05 0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2p0t h ALA 52 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2p0t h ALA 52 CO 0.08 -0.35 -0.70 -0.07 0.00 0.00 0.00 179.25 178.21 2p0t h LEU 53 N 0.54 0.00 0.00 0.00 4.07 -0.46 -2.11 115.31 117.35 2p0t h LEU 53 Ca 0.63 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 58.48 2p0t h LEU 53 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 2p0t h LEU 53 CO -0.43 0.70 -0.63 0.00 -1.08 0.00 0.00 178.44 177.00 2p0t h ALA 54 N 1.30 0.66 0.00 1.53 0.00 0.24 -3.07 119.26 119.92 2p0t h ALA 54 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 2p0t h ALA 54 Cb 1.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2p0t h ALA 54 CO 0.09 0.66 -0.18 1.49 0.00 0.00 0.00 179.25 181.32 2p0t h GLU 55 N 0.00 0.00 -0.52 0.00 4.81 -0.96 -3.39 114.58 114.52 2p0t h GLU 55 Ca -0.02 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.29 2p0t h GLU 55 Cb 1.41 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.72 2p0t h GLU 55 CO 0.06 0.18 0.12 0.00 -0.73 0.00 0.00 179.01 178.64 2p0t h ALA 56 N 1.82 0.60 0.00 2.92 0.00 -1.28 -1.16 119.26 122.16 2p0t h ALA 56 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2p0t h ALA 56 Cb 1.09 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2p0t h ALA 56 CO 0.02 -0.29 0.00 -1.00 0.00 0.00 0.00 179.25 177.98 2p0t h PRO 57 N 0.26 0.00 0.00 0.00 0.13 -1.82 -1.56 132.00 129.01 2p0t h PRO 57 Ca 0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 2p0t h PRO 57 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 2p0t h PRO 57 CO -0.33 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 178.31 2p0t h LYS 58 N 0.00 0.00 -5.16 0.86 1.57 -1.49 -3.39 116.57 108.97 2p0t h LYS 58 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2p0t h LYS 58 Cb 0.19 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.33 2p0t h LYS 58 CO 0.00 0.00 0.31 -1.01 -0.57 0.00 0.00 179.45 178.18 2p0t s HIS 59 N -3.63 2.87 -0.20 -1.35 3.76 -0.59 -4.83 115.29 111.32 2p0t s HIS 59 Ca 0.01 -0.61 -0.19 0.00 -0.15 0.00 0.00 55.06 54.12 2p0t s HIS 59 Cb 0.09 -4.02 -0.16 0.00 1.11 0.00 0.00 32.58 29.60 2p0t s HIS 59 CO 0.45 -1.37 0.11 2.41 -0.85 0.00 0.00 174.74 175.48 2p0t n THR 60 N 5.78 1.51 -1.31 1.30 -1.04 -1.26 -4.54 114.28 114.71 2p0t n THR 60 Ca -0.05 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.05 61.60 2p0t n THR 60 Cb 0.45 -2.09 0.11 0.00 -1.82 0.00 0.00 70.33 66.97 2p0t n THR 60 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p0t s ALA 61 N -2.44 2.01 0.18 2.41 0.00 -1.26 -4.76 121.76 117.90 2p0t s ALA 61 Ca -0.27 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 2p0t s ALA 61 Cb 0.06 -3.52 0.10 0.00 0.00 0.00 0.00 23.12 19.75 2p0t s ALA 61 CO 0.52 -2.09 1.82 -0.91 0.00 0.00 0.00 175.76 175.10 2p0t h ASN 62 N -0.43 0.75 -0.07 0.00 2.35 -1.99 0.39 115.58 116.58 2p0t h ASN 62 Ca -0.48 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.03 2p0t h ASN 62 Cb 1.31 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 2p0t h ASN 62 CO 0.48 0.60 -0.56 0.40 -1.65 0.00 0.00 177.43 176.71 2p0t h ILE 63 N 0.84 1.31 -0.15 2.81 5.03 -1.99 -1.84 117.51 123.52 2p0t h ILE 63 Ca 0.22 -1.79 -0.04 0.00 -0.12 0.00 0.00 64.86 63.14 2p0t h ILE 63 Cb -0.01 1.74 -0.00 0.00 -3.03 0.00 0.00 36.82 35.51 2p0t h ILE 63 CO -0.04 0.56 -0.05 0.00 -0.68 0.00 0.00 178.15 177.95 2p0t h ALA 64 N 0.87 0.21 0.23 1.87 0.00 -1.87 -2.06 119.26 118.52 2p0t h ALA 64 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2p0t h ALA 64 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2p0t h ALA 64 CO 0.11 -0.02 -0.11 -0.09 0.00 0.00 0.00 179.25 179.14 2p0t h ARG 65 N -0.01 -0.30 -0.67 0.00 2.43 -0.90 -1.58 114.38 113.36 2p0t h ARG 65 Ca 0.04 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2p0t h ARG 65 Cb 0.49 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2p0t h ARG 65 CO 0.02 -0.08 0.35 0.87 -1.51 0.00 0.00 179.97 179.62 2p0t h LYS 66 N -0.47 0.61 0.28 0.20 1.79 -1.37 0.29 116.57 117.90 2p0t h LYS 66 Ca -0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2p0t h LYS 66 Cb 0.36 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2p0t h LYS 66 CO 0.05 0.40 -0.21 -0.09 -1.08 0.00 0.00 179.45 178.53 2p0t h ARG 67 N 0.63 -0.45 -0.96 3.15 1.12 -1.33 -0.91 114.38 115.62 2p0t h ARG 67 Ca 0.31 0.03 0.29 0.00 -1.11 0.00 0.00 59.98 59.50 2p0t h ARG 67 Cb 0.26 0.10 -0.15 0.00 -0.01 0.00 0.00 29.97 30.17 2p0t h ARG 67 CO -0.22 -0.30 0.45 1.25 -3.11 0.00 0.00 179.97 178.04 2p0t h HIS 68 N -0.47 0.73 0.00 2.20 2.76 -1.02 0.23 115.15 119.57 2p0t h HIS 68 Ca -0.04 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 2p0t h HIS 68 Cb 0.39 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 2p0t h HIS 68 CO -0.05 -0.18 -0.53 -0.84 -1.30 0.00 0.00 177.93 175.03 2p0t h ILE 69 N 0.29 1.09 -0.19 6.26 -0.00 -0.67 0.15 117.51 124.44 2p0t h ILE 69 Ca 0.67 -2.02 -0.08 0.00 -0.00 0.00 0.00 64.86 63.43 2p0t h ILE 69 Cb 1.47 2.19 -0.00 0.00 -0.00 0.00 0.00 36.82 40.47 2p0t h ILE 69 CO -0.62 0.52 -0.19 -0.07 -0.00 0.00 0.00 178.15 177.78 2p0t h LEU 70 N 0.00 0.49 -0.77 0.16 3.38 0.41 0.36 115.31 119.34 2p0t h LEU 70 Ca -0.01 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.58 2p0t h LEU 70 Cb 1.14 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2p0t h LEU 70 CO 0.07 0.87 0.42 0.15 0.09 0.00 0.00 178.44 180.04 2p0t h PHE 71 N 0.12 0.75 -0.04 1.13 3.57 -0.58 0.46 116.94 122.35 2p0t h PHE 71 Ca 0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2p0t h PHE 71 Cb 0.73 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 2p0t h PHE 71 CO 0.08 0.29 0.02 0.82 -2.23 0.00 0.00 178.31 177.29 2p0t h ILE 72 N 0.70 1.00 -0.82 1.41 2.04 -0.47 -1.25 117.51 120.11 2p0t h ILE 72 Ca 0.38 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 66.30 2p0t h ILE 72 Cb 0.38 0.95 -0.10 0.00 -0.74 0.00 0.00 36.82 37.31 2p0t h ILE 72 CO -0.26 0.01 -0.48 0.61 0.00 0.00 0.00 178.15 178.02 2p0t n GLY 73 N -1.10 -2.37 0.33 5.37 0.00 0.13 -1.08 105.19 106.46 2p0t n GLY 73 Ca -0.06 1.02 0.09 0.00 0.00 0.00 0.00 46.02 47.06 2p0t n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2p0t h LYS 74 N 0.00 0.40 -2.23 1.61 1.79 0.21 -3.35 116.57 115.01 2p0t h LYS 74 Ca 0.13 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.43 2p0t h LYS 74 Cb 0.34 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 2p0t h LYS 74 CO -0.77 0.27 -0.18 -0.11 -1.08 0.00 0.00 179.45 177.58 2p0t n LEU 75 N -4.48 4.02 0.00 2.94 7.94 -0.24 -4.43 117.00 122.76 2p0t n LEU 75 Ca 0.06 -2.54 0.00 0.00 -1.11 0.00 0.00 56.01 52.41 2p0t n LEU 75 Cb 0.22 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2p0t n LEU 75 CO 0.35 1.18 0.00 0.54 -1.11 0.00 0.00 177.39 178.35 2p0t n ARG 77 N 2.60 0.00 0.00 1.96 1.74 -1.26 -4.05 116.66 117.65 2p0t n ARG 77 Ca 0.32 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.52 2p0t n ARG 77 Cb 0.70 -1.25 0.07 0.00 -1.02 0.00 0.00 32.46 30.97 2p0t n ARG 77 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2p0t n ASP 78 N 0.00 1.37 -4.96 0.55 8.00 -1.26 -4.95 116.55 115.30 2p0t n ASP 78 Ca 0.00 -1.10 -0.22 0.00 0.71 0.00 0.00 54.79 54.17 2p0t n ASP 78 Cb 0.00 0.52 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 2p0t n ASP 78 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2p0t s GLN 79 N -2.68 3.34 -0.96 -1.24 -1.52 -1.26 -4.88 119.66 110.45 2p0t s GLN 79 Ca 0.16 -0.55 -0.22 0.00 -1.95 0.00 0.00 55.36 52.80 2p0t s GLN 79 Cb 0.18 -2.71 0.07 0.00 -0.22 0.00 0.00 33.01 30.33 2p0t s GLN 79 CO 0.66 0.11 1.33 0.34 -0.25 0.00 0.00 175.29 177.47 2p0t s ASP 80 N -4.08 6.50 0.19 5.90 2.15 -1.26 -4.86 116.67 121.20 2p0t s ASP 80 Ca 0.41 -1.52 -0.08 0.00 0.43 0.00 0.00 52.55 51.80 2p0t s ASP 80 Cb -0.10 -2.52 0.10 0.00 -0.30 0.00 0.00 42.92 40.10 2p0t s ASP 80 CO 0.34 -1.41 1.61 1.56 -0.17 0.00 0.00 175.17 177.10 2p0t h GLN 81 N 9.55 0.94 -0.40 4.34 4.20 -1.96 -1.31 115.11 130.46 2p0t h GLN 81 Ca 0.13 -0.36 0.01 0.00 0.06 0.00 0.00 58.65 58.49 2p0t h GLN 81 Cb 1.02 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2p0t h GLN 81 CO 1.32 1.02 0.25 1.49 -0.67 0.00 0.00 178.83 182.24 2p0t h GLU 82 N 0.82 0.48 -0.40 1.46 4.81 -1.99 0.14 114.58 119.91 2p0t h GLU 82 Ca 0.12 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2p0t h GLU 82 Cb 0.71 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2p0t h GLU 82 CO 0.05 0.32 0.20 0.00 -0.73 0.00 0.00 179.01 178.85 2p0t h ALA 83 N 1.16 0.51 0.14 2.92 0.00 -1.92 0.16 119.26 122.24 2p0t h ALA 83 Ca 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2p0t h ALA 83 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2p0t h ALA 83 CO -0.06 0.07 -0.07 0.82 0.00 0.00 0.00 179.25 180.02 2p0t h ILE 84 N 0.51 0.88 -0.78 0.00 2.04 -0.98 -2.56 117.51 116.61 2p0t h ILE 84 Ca 0.14 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.05 2p0t h ILE 84 Cb 0.11 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 2p0t h ILE 84 CO -0.02 0.01 0.51 -0.07 0.00 0.00 0.00 178.15 178.59 2p0t h LEU 85 N -0.21 0.57 -0.16 1.44 3.38 -0.51 -1.00 115.31 118.83 2p0t h LEU 85 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2p0t h LEU 85 Cb 0.16 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2p0t h LEU 85 CO 0.03 0.33 -0.08 0.58 0.09 0.00 0.00 178.44 179.39 2p0t h VAL 86 N 0.63 1.32 -0.64 1.22 2.07 -0.85 -0.08 116.25 119.91 2p0t h VAL 86 Ca 0.37 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 2p0t h VAL 86 Cb 0.57 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2p0t h VAL 86 CO -0.14 0.34 0.13 -0.07 0.02 0.00 0.00 177.57 177.85 2p0t h LEU 87 N -0.00 1.00 -1.21 2.57 -0.00 -1.08 -0.94 115.31 115.65 2p0t h LEU 87 Ca 0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 2p0t h LEU 87 Cb 0.56 -0.27 -0.04 0.00 -0.00 0.00 0.00 40.66 40.92 2p0t h LEU 87 CO 0.02 0.99 0.47 -0.07 -0.00 0.00 0.00 178.44 179.86 2p0t h LEU 88 N 0.97 0.89 -0.51 1.67 3.38 -1.20 -1.72 115.31 118.79 2p0t h LEU 88 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2p0t h LEU 88 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2p0t h LEU 88 CO 0.01 0.67 0.32 -0.78 0.09 0.00 0.00 178.44 178.74 2p0t h ASP 89 N 1.03 0.61 -0.58 -0.43 3.58 -0.55 0.10 116.42 120.19 2p0t h ASP 89 Ca 0.27 -0.05 0.06 0.00 0.42 0.00 0.00 57.03 57.74 2p0t h ASP 89 Cb -0.07 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.77 2p0t h ASP 89 CO -0.05 0.47 0.28 1.56 -2.88 0.00 0.00 179.24 178.62 2p0t h GLN 90 N 0.69 0.52 -0.53 0.28 4.20 -0.82 -1.12 115.11 118.33 2p0t h GLN 90 Ca 0.19 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 2p0t h GLN 90 Cb -0.03 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2p0t h GLN 90 CO -0.04 0.34 0.18 1.25 -0.67 0.00 0.00 178.83 179.90 2p0t h LEU 91 N 0.53 0.76 -0.95 1.46 5.85 -1.15 -1.87 115.31 119.93 2p0t h LEU 91 Ca 0.27 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2p0t h LEU 91 Cb 0.21 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2p0t h LEU 91 CO -0.20 0.75 -0.50 0.44 -0.34 0.00 0.00 178.44 178.58 2p0t h ASP 92 N 0.72 0.00 0.00 1.25 3.32 -0.38 -1.63 116.42 119.70 2p0t h ASP 92 Ca 0.17 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 2p0t h ASP 92 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2p0t h ASP 92 CO -0.01 0.50 -0.53 0.00 -1.72 0.00 0.00 179.24 177.48 2p0t h ALA 93 N 1.50 0.71 0.00 3.45 0.00 -1.16 0.35 119.26 124.10 2p0t h ALA 93 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 2p0t h ALA 93 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2p0t h ALA 93 CO 0.07 0.68 -0.76 0.66 0.00 0.00 0.00 179.25 179.90 2p0t h SER 94 N 0.44 0.00 1.20 0.00 4.64 -1.06 0.14 113.55 118.92 2p0t h SER 94 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 2p0t h SER 94 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2p0t h SER 94 CO 0.10 0.71 -0.53 0.71 -0.87 0.00 0.00 176.83 176.94 2p0t h THR 95 N 0.00 1.00 -0.49 2.95 1.35 -0.85 -1.80 112.91 115.06 2p0t h THR 95 Ca -0.02 -2.17 -0.03 0.00 -0.55 0.00 0.00 66.41 63.64 2p0t h THR 95 Cb 1.56 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 70.28 2p0t h THR 95 CO 0.09 0.52 0.18 0.03 -0.25 0.00 0.00 175.52 176.09 2p0t h ARG 96 N 0.00 0.75 -0.39 4.72 3.08 0.21 -0.78 114.38 121.97 2p0t h ARG 96 Ca -0.01 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 2p0t h ARG 96 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 2p0t h ARG 96 CO 0.07 0.69 -0.20 1.96 -1.07 0.00 0.00 179.97 181.42 2p0t h GLN 97 N 0.66 0.76 0.00 0.04 7.50 -0.90 -0.47 115.11 122.71 2p0t h GLN 97 Ca 0.16 -0.29 0.02 0.00 0.50 0.00 0.00 58.65 59.04 2p0t h GLN 97 Cb 0.23 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.69 2p0t h GLN 97 CO -0.01 0.89 -0.13 -0.92 -1.50 0.00 0.00 178.83 177.17 2p0t h TYR 98 N 0.67 -0.32 -0.62 2.96 3.20 -1.10 -2.74 116.97 119.02 2p0t h TYR 98 Ca 0.10 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 2p0t h TYR 98 Cb 0.69 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 2p0t h TYR 98 CO 0.04 -0.19 0.31 -0.91 -1.64 0.00 0.00 178.16 175.76 2p0t h ASN 99 N -0.22 0.80 -0.58 -2.11 -0.26 -0.54 0.35 115.58 113.02 2p0t h ASN 99 Ca 0.04 -0.12 0.10 0.00 -0.56 0.00 0.00 56.30 55.76 2p0t h ASN 99 Cb 0.27 -0.20 -0.08 0.00 -1.06 0.00 0.00 38.32 37.25 2p0t h ASN 99 CO -0.12 0.69 0.15 -0.33 -1.06 0.00 0.00 177.43 176.76 2p0t h GLU 100 N 0.84 0.29 -0.04 0.81 5.08 -1.06 -0.42 114.58 120.08 2p0t h GLU 100 Ca 0.21 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.35 2p0t h GLU 100 Cb 0.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2p0t h GLU 100 CO -0.03 0.19 -0.85 0.00 -1.00 0.00 0.00 179.01 177.32 2p0t h ARG 101 N 0.30 0.45 0.27 2.33 3.08 -1.07 -0.92 114.38 118.82 2p0t h ARG 101 Ca 0.30 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2p0t h ARG 101 Cb 0.41 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2p0t h ARG 101 CO -0.36 1.07 -0.13 0.35 -1.07 0.00 0.00 179.97 179.84 2p0t h PHE 102 N 0.28 -0.34 -0.16 3.04 3.57 -0.62 -1.78 116.94 120.93 2p0t h PHE 102 Ca -0.06 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.36 2p0t h PHE 102 Cb 1.46 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.30 2p0t h PHE 102 CO 0.06 -0.19 -0.24 0.45 -2.23 0.00 0.00 178.31 176.15 2p0t h HIS 103 N -0.39 0.31 -0.03 0.41 3.86 -1.00 -0.59 115.15 117.72 2p0t h HIS 103 Ca -0.04 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2p0t h HIS 103 Cb 0.30 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2p0t h HIS 103 CO -0.05 0.51 -0.03 -0.97 0.86 0.00 0.00 177.93 178.25 2p0t h ASN 104 N 0.26 -0.10 -0.95 2.45 -0.73 -0.94 -1.10 115.58 114.47 2p0t h ASN 104 Ca 0.04 0.02 0.07 0.00 1.87 0.00 0.00 56.30 58.30 2p0t h ASN 104 Cb 0.58 0.05 -0.06 0.00 0.27 0.00 0.00 38.32 39.15 2p0t h ASN 104 CO 0.04 -0.05 0.61 -0.07 -0.37 0.00 0.00 177.43 177.60 2p0t h LEU 105 N -0.04 0.95 -0.91 0.34 4.07 -1.09 0.79 115.31 119.42 2p0t h LEU 105 Ca 0.03 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 2p0t h LEU 105 Cb 0.08 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2p0t h LEU 105 CO -0.06 0.60 -0.04 1.05 -1.08 0.00 0.00 178.44 178.92 2p0t h GLU 106 N 1.08 0.76 -0.04 1.13 4.11 -0.50 -1.36 114.58 119.76 2p0t h GLU 106 Ca 0.41 -0.21 -0.00 0.00 0.07 0.00 0.00 59.36 59.63 2p0t h GLU 106 Cb 0.21 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2p0t h GLU 106 CO -0.16 0.79 0.02 0.00 0.07 0.00 0.00 179.01 179.73 2p0t h ARG 107 N 0.70 0.06 -0.62 1.06 3.08 -1.01 -1.04 114.38 116.61 2p0t h ARG 107 Ca 0.13 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.29 2p0t h ARG 107 Cb 0.48 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 30.43 2p0t h ARG 107 CO 0.02 0.18 0.11 -1.49 -1.07 0.00 0.00 179.97 177.72 2p0t h TRP 108 N -0.07 0.17 0.36 3.04 -0.00 -0.73 -0.20 115.95 118.51 2p0t h TRP 108 Ca 0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 2p0t h TRP 108 Cb 0.14 0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.30 2p0t h TRP 108 CO -0.03 -0.06 -0.34 -0.09 -0.00 0.00 0.00 178.44 177.92 2p0t h ARG 109 N 0.23 -0.69 -0.43 0.49 2.43 -1.10 0.17 114.38 115.49 2p0t h ARG 109 Ca 0.33 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2p0t h ARG 109 Cb 0.51 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2p0t h ARG 109 CO -0.44 -0.46 0.26 -0.44 -1.51 0.00 0.00 179.97 177.39 2p0t h ASP 110 N -0.71 0.44 -0.58 -3.80 3.32 -1.09 -2.19 116.42 111.82 2p0t h ASP 110 Ca -0.02 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.09 2p0t h ASP 110 Cb 0.64 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.03 2p0t h ASP 110 CO -0.05 0.32 0.27 -0.09 -1.72 0.00 0.00 179.24 177.97 2p0t h ARG 111 N 0.54 0.48 -0.49 3.56 2.43 -0.90 -0.98 114.38 119.03 2p0t h ARG 111 Ca 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2p0t h ARG 111 Cb -0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2p0t h ARG 111 CO -0.06 0.32 0.17 -0.07 -1.51 0.00 0.00 179.97 178.82 2p0t h LEU 112 N 0.50 0.69 0.25 3.80 3.38 -0.44 -2.11 115.31 121.38 2p0t h LEU 112 Ca 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2p0t h LEU 112 Cb 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2p0t h LEU 112 CO -0.23 0.70 -0.12 0.40 0.09 0.00 0.00 178.44 179.28 2p0t h ILE 113 N 0.65 0.81 0.00 1.22 2.04 -1.27 -2.89 117.51 118.07 2p0t h ILE 113 Ca 0.16 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2p0t h ILE 113 Cb 0.24 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2p0t h ILE 113 CO -0.01 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2p0t n ALA 114 N -2.36 1.31 -3.00 1.87 0.00 -0.38 -4.77 120.51 113.18 2p0t n ALA 114 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2p0t n ALA 114 Cb 0.22 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2p0t n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p0t n GLY 115 N -0.99 5.29 0.00 0.00 0.00 -0.79 -5.05 105.19 103.65 2p0t n GLY 115 Ca 0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2p0t n GLY 115 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2p0t n ASP 116 N 0.00 0.00 0.28 1.61 3.85 -1.26 -5.00 116.55 116.03 2p0t n ASP 116 Ca 0.00 -0.07 0.13 0.00 -0.71 0.00 0.00 54.79 54.14 2p0t n ASP 116 Cb 0.00 0.00 0.82 0.00 -1.35 0.00 0.00 41.12 40.59 2p0t n ASP 116 CO 0.00 0.00 0.00 -0.78 -1.01 0.00 0.00 177.20 175.41 2p0t h ASP 117 N 0.00 0.00 -0.48 -1.12 1.82 -1.99 -2.40 116.42 112.25 2p0t h ASP 117 Ca 0.00 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 2p0t h ASP 117 Cb 0.00 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 2p0t h ASP 117 CO 0.00 0.01 0.09 0.00 -1.61 0.00 0.00 179.24 177.74 2p0t h ALA 118 N 1.99 1.16 -0.05 -0.78 0.00 -1.99 -2.07 119.26 117.51 2p0t h ALA 118 Ca -0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 2p0t h ALA 118 Cb 0.03 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.62 2p0t h ALA 118 CO 0.00 0.56 -0.88 -0.44 0.00 0.00 0.00 179.25 178.49 2p0t h ASP 119 N 0.81 0.87 -0.73 0.00 5.19 -1.82 -2.60 116.42 118.14 2p0t h ASP 119 Ca 0.17 -0.70 0.16 0.00 -0.62 0.00 0.00 57.03 56.04 2p0t h ASP 119 Cb 0.35 -0.26 -0.13 0.00 0.18 0.00 0.00 39.33 39.47 2p0t h ASP 119 CO 0.00 1.45 -0.02 0.25 -3.12 0.00 0.00 179.24 177.80 2p0t h LEU 120 N 0.37 -0.37 -0.63 1.55 6.46 -1.44 -0.72 115.31 120.52 2p0t h LEU 120 Ca -0.10 0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2p0t h LEU 120 Cb 1.54 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 41.78 2p0t h LEU 120 CO 0.18 -0.18 0.34 -0.33 -0.62 0.00 0.00 178.44 177.83 2p0t h GLU 121 N 0.09 0.89 -0.61 1.25 4.39 -1.23 -1.60 114.58 117.75 2p0t h GLU 121 Ca 0.39 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 2p0t h GLU 121 Cb 0.67 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2p0t h GLU 121 CO -0.65 0.68 0.33 0.87 -1.16 0.00 0.00 179.01 179.08 2p0t h LYS 122 N 0.86 0.86 -0.83 2.33 1.79 -1.26 -2.06 116.57 118.25 2p0t h LYS 122 Ca 0.22 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2p0t h LYS 122 Cb 0.06 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.50 2p0t h LYS 122 CO -0.03 0.66 0.51 0.35 -1.08 0.00 0.00 179.45 179.85 2p0t h PHE 123 N 0.84 1.09 0.00 -1.35 3.04 -0.61 -2.46 116.94 117.48 2p0t h PHE 123 Ca 0.22 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 2p0t h PHE 123 Cb 0.05 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.19 2p0t h PHE 123 CO -0.01 0.72 -0.39 0.28 -2.02 0.00 0.00 178.31 176.89 2p0t h VAL 124 N 1.14 0.73 -0.28 1.41 2.07 -1.31 0.72 116.25 120.72 2p0t h VAL 124 Ca 0.30 -1.85 -0.10 0.00 0.82 0.00 0.00 66.70 65.87 2p0t h VAL 124 Cb -0.05 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 2p0t h VAL 124 CO -0.06 0.39 -0.25 0.16 0.02 0.00 0.00 177.57 177.83 2p0t h ILE 125 N 0.00 1.27 -0.00 4.57 -0.00 -0.90 -0.80 117.51 121.65 2p0t h ILE 125 Ca -0.00 -1.29 -0.18 0.00 -0.00 0.00 0.00 64.86 63.38 2p0t h ILE 125 Cb 1.19 1.32 -0.02 0.00 -0.00 0.00 0.00 36.82 39.32 2p0t h ILE 125 CO 0.05 0.42 -0.83 -0.33 -0.00 0.00 0.00 178.15 177.45 2p0t h GLU 126 N 0.48 0.11 -2.19 0.16 4.39 -1.24 -3.38 114.58 112.91 2p0t h GLU 126 Ca 0.07 -0.11 -0.59 0.00 0.34 0.00 0.00 59.36 59.07 2p0t h GLU 126 Cb 0.69 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 28.96 2p0t h GLU 126 CO 0.05 0.88 -0.75 0.66 -1.16 0.00 0.00 179.01 178.68 2p0t n TYR 127 N -3.63 2.33 0.53 4.33 4.02 0.21 -4.98 117.16 119.97 2p0t n TYR 127 Ca -0.02 -3.97 0.06 0.00 -0.01 0.00 0.00 57.90 53.96 2p0t n TYR 127 Cb 0.78 -0.48 0.30 0.00 -0.02 0.00 0.00 39.34 39.93 2p0t n TYR 127 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2p0t n PRO 128 N 1.12 0.09 0.00 -0.72 -0.04 -0.32 -0.44 135.00 134.70 2p0t n PRO 128 Ca 0.27 0.22 0.13 0.00 -0.04 0.00 0.00 63.50 64.08 2p0t n PRO 128 Cb 0.44 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 2p0t n PRO 128 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2p0t n ASP 129 N -1.39 1.34 -4.64 3.54 8.00 -1.26 -4.95 116.55 117.19 2p0t n ASP 129 Ca 0.05 -1.22 -0.45 0.00 0.71 0.00 0.00 54.79 53.87 2p0t n ASP 129 Cb 0.13 0.08 -0.02 0.00 -0.02 0.00 0.00 41.12 41.28 2p0t n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2p0t n ALA 130 N -0.19 0.43 -2.50 2.24 0.00 0.42 -4.93 120.51 115.98 2p0t n ALA 130 Ca 0.15 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.57 2p0t n ALA 130 Cb 0.36 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.64 2p0t n ALA 130 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2p0t s ASP 131 N -0.12 6.53 0.18 0.00 3.68 -1.26 -4.91 116.67 120.77 2p0t s ASP 131 Ca 0.64 0.65 0.03 0.00 2.13 0.00 0.00 52.55 56.00 2p0t s ASP 131 Cb -0.68 -2.55 0.03 0.00 -1.45 0.00 0.00 42.92 38.27 2p0t s ASP 131 CO 0.56 -1.31 1.41 -0.09 0.13 0.00 0.00 175.17 175.86 2p0t h ARG 132 N 9.77 0.18 0.10 4.34 2.43 -1.98 -1.83 114.38 127.39 2p0t h ARG 132 Ca -0.25 -0.19 -0.27 0.00 -0.81 0.00 0.00 59.98 58.46 2p0t h ARG 132 Cb 1.08 0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2p0t h ARG 132 CO 1.11 0.92 -1.17 1.96 -1.51 0.00 0.00 179.97 181.27 2p0t h GLN 133 N 0.11 0.44 -0.05 0.20 1.08 -1.99 -1.09 115.11 113.80 2p0t h GLN 133 Ca -0.04 -0.60 -0.25 0.00 -1.45 0.00 0.00 58.65 56.31 2p0t h GLN 133 Cb 1.45 0.20 0.02 0.00 -0.05 0.00 0.00 27.48 29.10 2p0t h GLN 133 CO 0.13 1.25 -0.95 0.37 -0.95 0.00 0.00 178.83 178.68 2p0t h GLN 134 N 0.19 0.72 -0.39 1.46 4.15 -1.95 -2.25 115.11 117.03 2p0t h GLN 134 Ca -0.14 -0.71 0.00 0.00 0.77 0.00 0.00 58.65 58.57 2p0t h GLN 134 Cb 1.85 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 2p0t h GLN 134 CO 0.21 1.29 0.26 1.25 -1.93 0.00 0.00 178.83 179.91 2p0t h LEU 135 N 0.44 0.45 -0.32 -2.39 5.85 -1.36 -1.07 115.31 116.91 2p0t h LEU 135 Ca -0.10 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.66 2p0t h LEU 135 Cb 1.59 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 2p0t h LEU 135 CO 0.19 0.33 0.00 0.03 -0.34 0.00 0.00 178.44 178.65 2p0t h ARG 136 N 0.53 0.09 -0.37 1.25 3.08 -1.19 0.18 114.38 117.95 2p0t h ARG 136 Ca 0.14 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.23 2p0t h ARG 136 Cb -0.06 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 2p0t h ARG 136 CO -0.03 0.06 0.13 1.03 -1.07 0.00 0.00 179.97 180.09 2p0t h SER 137 N 0.09 0.15 -0.07 7.04 0.87 -1.38 -1.44 113.55 118.81 2p0t h SER 137 Ca 0.15 0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2p0t h SER 137 Cb 0.20 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 2p0t h SER 137 CO -0.26 0.12 -0.04 -0.07 -0.53 0.00 0.00 176.83 176.06 2p0t h LEU 138 N 0.29 -0.12 0.10 2.23 3.38 -0.54 -2.72 115.31 117.92 2p0t h LEU 138 Ca 0.17 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2p0t h LEU 138 Cb 0.14 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2p0t h LEU 138 CO -0.17 -0.05 -0.16 0.40 0.09 0.00 0.00 178.44 178.55 2p0t h ILE 139 N -0.03 0.64 -0.62 1.22 2.04 -0.44 -2.02 117.51 118.30 2p0t h ILE 139 Ca 0.04 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.02 2p0t h ILE 139 Cb 0.09 0.64 -0.12 0.00 -0.74 0.00 0.00 36.82 36.70 2p0t h ILE 139 CO -0.09 0.00 -0.17 -0.09 0.00 0.00 0.00 178.15 177.80 2p0t h ARG 140 N -0.31 -0.01 -0.51 2.37 2.43 -1.30 0.12 114.38 117.16 2p0t h ARG 140 Ca 0.02 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2p0t h ARG 140 Cb 0.33 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2p0t h ARG 140 CO -0.08 -0.01 -0.09 1.96 -1.51 0.00 0.00 179.97 180.24 2p0t h GLN 141 N -0.01 0.97 -0.30 0.20 4.20 -1.33 -1.04 115.11 117.80 2p0t h GLN 141 Ca 0.30 -0.35 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 2p0t h GLN 141 Cb 0.46 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2p0t h GLN 141 CO -0.64 1.02 -0.43 0.00 -0.67 0.00 0.00 178.83 178.11 2p0t h ALA 142 N 0.91 0.68 -0.18 3.87 0.00 -0.82 -1.90 119.26 121.82 2p0t h ALA 142 Ca 0.13 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2p0t h ALA 142 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2p0t h ALA 142 CO 0.04 0.67 0.10 1.96 0.00 0.00 0.00 179.25 182.02 2p0t h GLN 143 N 0.60 0.20 -0.56 0.00 4.20 -0.65 0.37 115.11 119.28 2p0t h GLN 143 Ca 0.04 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.80 2p0t h GLN 143 Cb 0.99 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.67 2p0t h GLN 143 CO 0.09 0.13 0.26 1.25 -0.67 0.00 0.00 178.83 179.89 2p0t h HIS 144 N 0.21 0.46 -0.45 2.96 2.76 -1.05 0.42 115.15 120.47 2p0t h HIS 144 Ca 0.07 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.14 2p0t h HIS 144 Cb -0.00 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 2p0t h HIS 144 CO -0.08 0.19 -0.20 0.93 -1.30 0.00 0.00 177.93 177.47 2p0t h GLU 145 N 0.48 0.89 -0.49 5.26 5.08 -0.93 0.85 114.58 125.72 2p0t h GLU 145 Ca 0.26 -0.36 0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2p0t h GLU 145 Cb 0.23 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.35 2p0t h GLU 145 CO -0.22 1.00 -0.09 0.28 -1.00 0.00 0.00 179.01 178.99 2p0t h VAL 146 N 0.77 0.54 0.03 3.13 2.07 -0.44 0.27 116.25 122.62 2p0t h VAL 146 Ca 0.11 -0.01 -0.23 0.00 0.82 0.00 0.00 66.70 67.39 2p0t h VAL 146 Cb 0.74 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2p0t h VAL 146 CO 0.06 0.01 -1.00 0.00 0.02 0.00 0.00 177.57 176.66 2p0t h ALA 147 N 1.48 0.36 -0.28 1.67 0.00 -0.17 -2.92 119.26 119.39 2p0t h ALA 147 Ca 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2p0t h ALA 147 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2p0t h ALA 147 CO -0.48 0.93 0.00 0.54 0.00 0.00 0.00 179.25 180.24 2p0t n ARG 148 N -3.63 2.41 -3.45 0.00 5.12 0.22 -4.97 116.66 112.37 2p0t n ARG 148 Ca -0.05 -2.12 -0.19 0.00 -1.93 0.00 0.00 57.85 53.56 2p0t n ARG 148 Cb 0.88 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 30.75 2p0t n ARG 148 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2p0t n ASN 149 N 1.38 -4.05 -4.94 0.55 4.05 0.05 -5.01 115.26 107.29 2p0t n ASN 149 Ca 0.18 -0.75 -0.24 0.00 0.45 0.00 0.00 54.58 54.22 2p0t n ASN 149 Cb 0.59 -4.69 -0.01 0.00 1.23 0.00 0.00 39.78 36.90 2p0t n ASN 149 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2p0t s LYS 150 N -5.21 3.45 -0.27 1.20 1.02 0.73 -5.03 119.74 115.62 2p0t s LYS 150 Ca 0.24 -0.34 -0.43 0.00 0.02 0.00 0.00 55.97 55.46 2p0t s LYS 150 Cb -0.05 -2.65 -0.19 0.00 -0.52 0.00 0.00 37.83 34.43 2p0t s LYS 150 CO 0.77 0.11 1.45 -2.30 -0.92 0.00 0.00 175.35 174.45 2p0t n PRO 151 N -1.82 0.27 -1.03 -1.68 -0.01 -1.26 -4.67 135.00 124.80 2p0t n PRO 151 Ca -0.04 0.10 -0.31 0.00 -0.01 0.00 0.00 63.50 63.24 2p0t n PRO 151 Cb 0.56 -1.64 -0.02 0.00 -0.01 0.00 0.00 33.50 32.39 2p0t n PRO 151 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 2p0t n PRO 152 N 3.37 2.67 -0.15 0.52 -0.04 -1.26 -4.65 135.00 135.45 2p0t n PRO 152 Ca 0.26 -1.82 -0.08 0.00 -0.04 0.00 0.00 63.50 61.82 2p0t n PRO 152 Cb 0.03 -2.66 0.07 0.00 -0.04 0.00 0.00 33.50 30.90 2p0t n PRO 152 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2p0t h ALA 153 N 5.94 0.89 0.00 0.55 0.00 -1.97 -3.07 119.26 121.60 2p0t h ALA 153 Ca 0.63 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 55.16 2p0t h ALA 153 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2p0t h ALA 153 CO 1.63 0.64 -0.25 1.15 0.00 0.00 0.00 179.25 182.43 2p0t h THR 154 N 0.84 0.60 -0.13 0.00 2.02 -1.92 -2.70 112.91 111.62 2p0t h THR 154 Ca 0.14 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.10 2p0t h THR 154 Cb 0.61 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2p0t h THR 154 CO 0.04 0.24 -0.02 0.77 0.37 0.00 0.00 175.52 176.92 2p0t h SER 155 N 0.00 0.25 -0.94 4.18 4.64 -1.88 0.39 113.55 120.18 2p0t h SER 155 Ca -0.00 -0.34 0.28 0.00 -0.47 0.00 0.00 61.79 61.25 2p0t h SER 155 Cb 0.78 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 62.66 2p0t h SER 155 CO 0.03 0.53 0.39 0.03 -0.87 0.00 0.00 176.83 176.95 2p0t h ARG 156 N -0.04 0.26 -0.50 4.77 3.08 -1.58 -0.63 114.38 119.73 2p0t h ARG 156 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2p0t h ARG 156 Cb 0.42 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2p0t h ARG 156 CO 0.01 0.17 0.09 0.87 -1.07 0.00 0.00 179.97 180.04 2p0t h LYS 157 N 0.26 0.81 0.13 0.04 1.57 -1.06 -0.60 116.57 117.73 2p0t h LYS 157 Ca 0.64 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 2p0t h LYS 157 Cb 1.38 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2p0t h LYS 157 CO -0.64 0.81 -0.06 0.82 -0.57 0.00 0.00 179.45 179.81 2p0t h ILE 158 N 0.69 0.88 -0.70 1.86 2.04 -0.38 -0.76 117.51 121.14 2p0t h ILE 158 Ca 0.15 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 66.07 2p0t h ILE 158 Cb 0.38 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.30 2p0t h ILE 158 CO 0.01 0.01 0.30 0.15 0.00 0.00 0.00 178.15 178.62 2p0t h PHE 159 N -0.20 0.52 -0.29 1.37 3.57 -1.01 0.10 116.94 120.99 2p0t h PHE 159 Ca -0.02 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2p0t h PHE 159 Cb 0.16 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2p0t h PHE 159 CO -0.06 0.13 0.12 -0.22 -2.23 0.00 0.00 178.31 176.04 2p0t h LYS 160 N 0.48 0.25 -0.29 1.11 3.64 -0.87 -1.76 116.57 119.14 2p0t h LYS 160 Ca 0.36 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2p0t h LYS 160 Cb 0.47 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2p0t h LYS 160 CO -0.33 0.17 -0.22 -0.92 -2.27 0.00 0.00 179.45 175.88 2p0t h TYR 161 N 0.26 0.78 -0.16 1.91 3.20 -0.32 -1.91 116.97 120.72 2p0t h TYR 161 Ca 0.13 -0.22 -0.07 0.00 3.14 0.00 0.00 58.73 61.71 2p0t h TYR 161 Cb 0.08 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2p0t h TYR 161 CO -0.12 0.93 -0.20 -0.84 -1.64 0.00 0.00 178.16 176.29 2p0t h ILE 162 N 0.40 1.22 -0.81 1.81 3.07 -0.77 -1.35 117.51 121.08 2p0t h ILE 162 Ca 0.05 -1.01 -0.03 0.00 1.55 0.00 0.00 64.86 65.42 2p0t h ILE 162 Cb 0.77 1.32 -0.04 0.00 -0.27 0.00 0.00 36.82 38.61 2p0t h ILE 162 CO 0.06 0.31 0.40 0.03 -1.05 0.00 0.00 178.15 177.90 2p0t h ARG 163 N 0.26 1.17 -0.11 0.16 3.08 -1.14 -0.14 114.38 117.66 2p0t h ARG 163 Ca 0.05 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2p0t h ARG 163 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2p0t h ARG 163 CO 0.03 0.89 0.07 0.93 -1.07 0.00 0.00 179.97 180.83 2p0t h GLU 164 N 1.15 0.15 -0.82 0.04 5.08 -0.69 0.37 114.58 119.86 2p0t h GLU 164 Ca 0.28 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 2p0t h GLU 164 Cb 0.10 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2p0t h GLU 164 CO -0.04 0.12 0.46 -0.07 -1.00 0.00 0.00 179.01 178.49 2p0t h LEU 165 N 0.13 0.66 -0.25 1.33 3.38 -0.80 -2.38 115.31 117.38 2p0t h LEU 165 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2p0t h LEU 165 Cb 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2p0t h LEU 165 CO -0.01 0.37 0.00 -0.67 0.09 0.00 0.00 178.44 178.22 2p0t n ASP 166 N -4.75 0.60 -3.03 -0.43 2.03 -0.11 -4.92 116.55 105.94 2p0t n ASP 166 Ca 0.14 0.59 -0.23 0.00 0.52 0.00 0.00 54.79 55.81 2p0t n ASP 166 Cb 0.28 -0.74 0.04 0.00 -0.72 0.00 0.00 41.12 39.98 2p0t n ASP 166 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2p0t n GLU 167 N -2.10 -5.00 -2.31 -0.67 -0.58 -0.01 -4.92 120.64 105.05 2p0t n GLU 167 Ca 0.04 0.92 -0.40 0.00 -0.42 0.00 0.00 57.16 57.30 2p0t n GLU 167 Cb 0.33 -5.79 -0.03 0.00 -0.57 0.00 0.00 31.44 25.38 2p0t n GLU 167 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2p0t s LEU 168 N -6.71 3.30 0.00 -4.62 2.96 0.11 -5.00 118.68 108.73 2p0t s LEU 168 Ca 0.31 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2p0t s LEU 168 Cb -0.14 -2.76 0.00 0.00 0.50 0.00 0.00 46.19 43.79 2p0t s LEU 168 CO 0.38 -1.96 0.40 0.00 -1.32 0.00 0.00 176.35 173.85