#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r5u s GLN 23 N 0.00 4.25 0.34 5.56 0.74 -1.26 -4.97 119.66 124.32 2r5u s GLN 23 Ca 0.00 2.19 -0.29 0.00 0.05 0.00 0.00 55.36 57.32 2r5u s GLN 23 Cb 0.00 -3.44 -0.11 0.00 1.10 0.00 0.00 33.01 30.56 2r5u s GLN 23 CO 0.00 -0.61 1.52 -2.14 -0.55 0.00 0.00 175.29 173.51 2r5u s PRO 24 N 2.00 4.13 0.19 1.67 0.02 -1.26 -4.90 135.00 136.85 2r5u s PRO 24 Ca 0.69 2.55 -0.33 0.00 0.02 0.00 0.00 61.00 63.93 2r5u s PRO 24 Cb -0.38 -3.00 -0.13 0.00 0.02 0.00 0.00 34.50 31.01 2r5u s PRO 24 CO 0.30 -0.55 1.62 -2.30 -0.33 0.00 0.00 177.00 175.74 2r5u n PRO 25 N 1.20 2.39 -3.55 5.54 -0.02 -1.26 -4.95 135.00 134.35 2r5u n PRO 25 Ca 0.04 0.86 -0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2r5u n PRO 25 Cb 0.39 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 2r5u n PRO 25 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2r5u s GLN 26 N 0.88 0.70 -0.31 -0.52 -2.07 -1.26 -4.55 119.66 112.51 2r5u s GLN 26 Ca 0.76 -0.27 -0.02 0.00 -1.82 0.00 0.00 55.36 54.01 2r5u s GLN 26 Cb -0.61 0.31 0.12 0.00 -1.09 0.00 0.00 33.01 31.74 2r5u s GLN 26 CO 0.37 -0.31 0.17 0.34 -1.32 0.00 0.00 175.29 174.54 2r5u s ASP 27 N -2.45 3.27 0.30 12.60 -1.08 -1.26 -5.04 116.67 123.01 2r5u s ASP 27 Ca 0.07 -1.64 0.04 0.00 -0.52 0.00 0.00 52.55 50.50 2r5u s ASP 27 Cb -0.01 -0.35 0.48 0.00 -1.46 0.00 0.00 42.92 41.59 2r5u s ASP 27 CO -0.07 -0.39 1.76 -0.07 0.52 0.00 0.00 175.17 176.92 2r5u h LEU 28 N 7.85 0.41 -0.84 -1.34 3.38 -2.00 -1.34 115.31 121.43 2r5u h LEU 28 Ca -0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 2r5u h LEU 28 Cb 1.00 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2r5u h LEU 28 CO 0.37 0.65 0.11 0.00 0.09 0.00 0.00 178.44 179.66 2r5u h ALA 29 N 1.38 1.04 -0.42 1.53 0.00 -1.99 -1.26 119.26 119.55 2r5u h ALA 29 Ca 0.06 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2r5u h ALA 29 Cb 0.62 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2r5u h ALA 29 CO 0.04 0.62 -0.32 0.00 0.00 0.00 0.00 179.25 179.59 2r5u h ALA 30 N 1.19 0.61 -0.15 0.00 0.00 -1.80 -1.31 119.26 117.79 2r5u h ALA 30 Ca 0.19 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.70 2r5u h ALA 30 Cb 0.39 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2r5u h ALA 30 CO 0.01 0.67 -0.02 0.93 0.00 0.00 0.00 179.25 180.83 2r5u h GLU 31 N 0.79 0.02 -0.92 0.00 5.08 -1.11 -0.91 114.58 117.54 2r5u h GLU 31 Ca 0.08 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2r5u h GLU 31 Cb 0.91 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2r5u h GLU 31 CO 0.08 0.01 0.61 1.96 -1.00 0.00 0.00 179.01 180.68 2r5u h GLN 32 N 0.02 1.19 -0.36 2.33 4.20 -1.13 -2.65 115.11 118.72 2r5u h GLN 32 Ca 0.07 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 2r5u h GLN 32 Cb 0.10 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 2r5u h GLN 32 CO -0.14 0.79 -0.38 0.77 -0.67 0.00 0.00 178.83 179.19 2r5u h SER 33 N 1.23 0.93 0.04 1.46 0.02 -1.03 0.14 113.55 116.33 2r5u h SER 33 Ca 0.34 -0.42 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2r5u h SER 33 Cb -0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 2r5u h SER 33 CO -0.08 1.20 -0.13 0.58 -1.14 0.00 0.00 176.83 177.26 2r5u h VAL 34 N 0.71 0.70 -0.51 2.27 2.07 -1.04 -0.22 116.25 120.23 2r5u h VAL 34 Ca 0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 2r5u h VAL 34 Cb 0.96 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2r5u h VAL 34 CO 0.09 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.66 2r5u h LEU 35 N -0.23 0.83 -0.04 2.57 3.38 -1.31 -1.54 115.31 118.97 2r5u h LEU 35 Ca 0.03 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2r5u h LEU 35 Cb 0.27 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2r5u h LEU 35 CO -0.10 0.90 -0.23 1.23 0.09 0.00 0.00 178.44 180.34 2r5u h GLY 36 N 0.74 -0.30 0.73 0.83 0.00 -0.61 -1.58 103.07 102.87 2r5u h GLY 36 Ca 0.15 0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.81 2r5u h GLY 36 CO 0.02 -0.20 0.52 -1.33 0.00 0.00 0.00 176.54 175.55 2r5u h GLY 37 N -0.34 1.27 1.07 4.60 0.00 -0.90 -2.65 103.07 106.12 2r5u h GLY 37 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2r5u h GLY 37 CO -0.24 0.26 0.41 -0.33 0.00 0.00 0.00 176.54 176.65 2r5u h MET 38 N 0.95 1.20 0.00 4.80 2.07 -1.03 -1.43 114.93 121.50 2r5u h MET 38 Ca 0.37 -0.17 0.00 0.00 -2.07 0.00 0.00 59.70 57.83 2r5u h MET 38 Cb 0.16 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 2r5u h MET 38 CO -0.17 0.91 0.00 -0.07 1.07 0.00 0.00 176.91 178.65 2r5u h LEU 39 N 1.19 0.00 0.00 1.22 3.38 -0.95 -3.20 115.31 116.96 2r5u h LEU 39 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2r5u h LEU 39 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2r5u h LEU 39 CO -0.04 0.00 -0.87 0.18 0.09 0.00 0.00 178.44 177.80 2r5u n LEU 40 N -2.63 0.37 -3.66 1.67 4.77 -0.73 -4.35 117.00 112.44 2r5u n LEU 40 Ca 0.00 -0.34 -0.05 0.00 -0.03 0.00 0.00 56.01 55.59 2r5u n LEU 40 Cb 0.21 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 2r5u n LEU 40 CO 0.21 0.09 0.15 -0.55 -1.33 0.00 0.00 177.39 175.96 2r5u s SER 41 N -2.51 -0.71 0.33 -1.43 0.15 -0.62 -5.03 113.70 103.88 2r5u s SER 41 Ca 0.02 1.28 0.03 0.00 0.70 0.00 0.00 55.95 57.98 2r5u s SER 41 Cb 0.08 1.71 0.57 0.00 -1.71 0.00 0.00 66.02 66.67 2r5u s SER 41 CO 0.48 -0.22 1.87 0.50 1.20 0.00 0.00 173.24 177.06 2r5u h LYS 42 N 7.91 0.58 -0.12 5.44 3.64 -1.87 -2.08 116.57 130.07 2r5u h LYS 42 Ca -0.20 -0.12 -0.06 0.00 -1.27 0.00 0.00 60.65 59.00 2r5u h LYS 42 Cb 1.12 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2r5u h LYS 42 CO 0.13 0.58 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.25 2r5u h ASP 43 N 0.56 0.20 -0.78 4.20 5.19 -1.95 -2.72 116.42 121.12 2r5u h ASP 43 Ca 0.12 -0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2r5u h ASP 43 Cb 0.32 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2r5u h ASP 43 CO 0.01 0.42 0.32 0.00 -3.12 0.00 0.00 179.24 176.87 2r5u h ALA 44 N 1.60 1.01 -0.62 3.45 0.00 -1.68 -1.77 119.26 121.25 2r5u h ALA 44 Ca 0.03 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2r5u h ALA 44 Cb 0.48 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2r5u h ALA 44 CO 0.03 0.62 0.41 0.82 0.00 0.00 0.00 179.25 181.14 2r5u h ILE 45 N 1.12 1.16 -0.38 0.00 2.04 -1.40 0.97 117.51 121.02 2r5u h ILE 45 Ca 0.26 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2r5u h ILE 45 Cb 0.20 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2r5u h ILE 45 CO -0.02 0.15 0.19 0.00 0.00 0.00 0.00 178.15 178.47 2r5u h ALA 46 N 1.23 0.47 -0.52 1.87 0.00 -1.32 -0.64 119.26 120.35 2r5u h ALA 46 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2r5u h ALA 46 Cb -0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2r5u h ALA 46 CO -0.05 -0.17 0.34 -0.44 0.00 0.00 0.00 179.25 178.93 2r5u h ASP 47 N 0.39 0.60 -0.11 0.00 3.32 -0.86 -3.14 116.42 116.63 2r5u h ASP 47 Ca 0.16 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2r5u h ASP 47 Cb 0.06 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2r5u h ASP 47 CO -0.11 0.45 -0.57 0.58 -1.72 0.00 0.00 179.24 177.87 2r5u h VAL 48 N 0.70 1.30 -0.37 -1.35 2.07 -0.67 -3.19 116.25 114.74 2r5u h VAL 48 Ca 0.19 -1.79 0.08 0.00 0.82 0.00 0.00 66.70 66.00 2r5u h VAL 48 Cb -0.07 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 2r5u h VAL 48 CO -0.04 0.57 0.26 -0.07 0.02 0.00 0.00 177.57 178.30 2r5u h LEU 49 N 0.54 0.11 -0.89 2.57 3.38 -1.07 0.99 115.31 120.94 2r5u h LEU 49 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2r5u h LEU 49 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2r5u h LEU 49 CO 0.12 0.07 0.00 -0.33 0.09 0.00 0.00 178.44 178.39 2r5u h GLU 50 N 0.13 0.00 0.00 1.13 5.08 -1.55 -3.35 114.58 116.01 2r5u h GLU 50 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2r5u h GLU 50 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2r5u h GLU 50 CO -0.02 0.00 -1.31 0.54 -1.00 0.00 0.00 179.01 177.22 2r5u n ARG 51 N -2.82 0.39 -4.36 2.33 1.74 0.26 -5.08 116.66 109.12 2r5u n ARG 51 Ca 0.02 -0.06 -0.18 0.00 -0.77 0.00 0.00 57.85 56.86 2r5u n ARG 51 Cb 0.34 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 2r5u n ARG 51 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2r5u s LEU 52 N -3.53 2.12 0.12 0.55 1.43 -0.69 -4.76 118.68 113.91 2r5u s LEU 52 Ca -0.02 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.84 2r5u s LEU 52 Cb 0.04 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 2r5u s LEU 52 CO 0.28 -0.56 -0.11 0.00 0.23 0.00 0.00 176.35 176.18 2r5u s ARG 53 N -3.89 0.96 0.42 1.70 1.04 -1.26 -4.83 118.95 113.09 2r5u s ARG 53 Ca 0.32 -1.27 0.24 0.00 -1.04 0.00 0.00 55.73 53.98 2r5u s ARG 53 Cb 0.07 -0.68 1.25 0.00 -2.04 0.00 0.00 34.95 33.55 2r5u s ARG 53 CO 0.11 0.11 1.71 -1.00 -0.04 0.00 0.00 175.30 176.19 2r5u h PRO 54 N 3.33 0.24 0.00 3.89 0.13 -1.96 -1.20 132.00 136.43 2r5u h PRO 54 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2r5u h PRO 54 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2r5u h PRO 54 CO 0.55 0.16 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2r5u n GLY 55 N -1.50 -1.45 0.30 1.56 0.00 -1.26 -2.71 105.19 100.13 2r5u n GLY 55 Ca 0.30 0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.54 2r5u n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r5u h ASP 56 N 0.00 0.00 -3.48 1.61 3.32 -1.61 -3.43 116.42 112.84 2r5u h ASP 56 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2r5u h ASP 56 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2r5u h ASP 56 CO 0.00 0.02 0.40 -0.36 -1.72 0.00 0.00 179.24 177.58 2r5u s PHE 57 N -3.87 3.69 0.03 4.55 0.40 -1.10 -4.60 117.98 117.07 2r5u s PHE 57 Ca -0.01 1.68 -0.20 0.00 -0.60 0.00 0.00 56.93 57.80 2r5u s PHE 57 Cb 0.11 -3.15 -0.17 0.00 0.51 0.00 0.00 43.02 40.32 2r5u s PHE 57 CO 0.51 -0.15 1.25 -0.92 0.70 0.00 0.00 175.22 176.61 2r5u h TYR 58 N 6.02 0.49 -3.37 0.36 5.03 -1.90 -3.44 116.97 120.17 2r5u h TYR 58 Ca -0.42 -0.19 -0.56 0.00 2.58 0.00 0.00 58.73 60.14 2r5u h TYR 58 Cb 1.21 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 39.36 2r5u h TYR 58 CO 0.66 0.90 0.21 1.03 -1.32 0.00 0.00 178.16 179.64 2r5u s ARG 59 N -3.88 4.45 0.24 1.82 0.52 -1.26 -4.95 118.95 115.89 2r5u s ARG 59 Ca -0.14 1.05 -0.05 0.00 -0.52 0.00 0.00 55.73 56.07 2r5u s ARG 59 Cb 0.05 -3.47 0.45 0.00 0.52 0.00 0.00 34.95 32.50 2r5u s ARG 59 CO 0.78 -0.02 1.69 -1.35 0.02 0.00 0.00 175.30 176.42 2r5u h PRO 60 N 6.85 0.28 -0.84 3.54 0.11 -1.99 -1.05 132.00 138.90 2r5u h PRO 60 Ca -0.39 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.88 2r5u h PRO 60 Cb 1.19 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 32.13 2r5u h PRO 60 CO 0.76 0.18 0.37 0.00 -0.21 0.00 0.00 178.00 179.11 2r5u h ALA 61 N 1.60 1.28 -0.49 -0.75 0.00 -1.92 -1.04 119.26 117.94 2r5u h ALA 61 Ca 0.41 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 55.32 2r5u h ALA 61 Cb 0.69 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2r5u h ALA 61 CO -0.49 -0.23 -0.19 0.45 0.00 0.00 0.00 179.25 178.79 2r5u h HIS 62 N 0.47 1.11 -0.93 0.00 3.86 -1.60 -2.32 115.15 115.74 2r5u h HIS 62 Ca 0.49 -0.26 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2r5u h HIS 62 Cb 0.82 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.98 2r5u h HIS 62 CO -0.14 1.07 0.61 1.96 0.86 0.00 0.00 177.93 182.29 2r5u h GLN 63 N 0.85 1.23 -0.21 2.45 4.20 -0.79 -1.19 115.11 121.65 2r5u h GLN 63 Ca 0.12 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 2r5u h GLN 63 Cb 0.76 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2r5u h GLN 63 CO 0.06 0.82 0.05 -0.91 -0.67 0.00 0.00 178.83 178.18 2r5u h ASN 64 N 1.27 0.31 0.01 1.46 2.35 -1.07 -1.53 115.58 118.38 2r5u h ASN 64 Ca 0.34 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2r5u h ASN 64 Cb -0.13 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2r5u h ASN 64 CO -0.07 0.47 -0.05 0.58 -1.65 0.00 0.00 177.43 176.70 2r5u h VAL 65 N 0.15 0.86 -0.59 2.81 2.07 -1.30 -1.90 116.25 118.34 2r5u h VAL 65 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 2r5u h VAL 65 Cb 0.28 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2r5u h VAL 65 CO 0.00 0.00 0.17 0.22 0.02 0.00 0.00 177.57 177.99 2r5u h TYR 66 N -0.10 0.29 -0.41 1.57 3.20 -1.15 -1.38 116.97 119.00 2r5u h TYR 66 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2r5u h TYR 66 Cb 0.12 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 2r5u h TYR 66 CO -0.12 0.03 0.18 -0.44 -1.64 0.00 0.00 178.16 176.17 2r5u h ASP 67 N 0.33 0.54 -0.17 -2.11 3.32 -1.11 -1.97 116.42 115.25 2r5u h ASP 67 Ca 0.30 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.24 2r5u h ASP 67 Cb 0.41 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2r5u h ASP 67 CO -0.35 0.54 -0.05 0.00 -1.72 0.00 0.00 179.24 177.66 2r5u h ALA 68 N 1.03 0.10 -0.28 3.45 0.00 -0.84 -0.92 119.26 121.81 2r5u h ALA 68 Ca 0.14 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2r5u h ALA 68 Cb 0.15 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2r5u h ALA 68 CO -0.01 -0.49 -0.05 0.82 0.00 0.00 0.00 179.25 179.52 2r5u h ILE 69 N -0.02 0.75 -0.71 0.00 2.04 -1.14 -1.92 117.51 116.51 2r5u h ILE 69 Ca 0.08 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 2r5u h ILE 69 Cb 0.15 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2r5u h ILE 69 CO -0.18 0.00 0.33 -0.07 0.00 0.00 0.00 178.15 178.23 2r5u h LEU 70 N 0.02 0.92 0.29 1.44 3.38 -1.14 0.88 115.31 121.11 2r5u h LEU 70 Ca 0.13 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2r5u h LEU 70 Cb 0.20 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2r5u h LEU 70 CO -0.27 0.79 -0.14 -0.78 0.09 0.00 0.00 178.44 178.13 2r5u h ASP 71 N 1.01 -0.33 -0.02 -0.43 1.82 -0.90 0.61 116.42 118.17 2r5u h ASP 71 Ca 0.25 -0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.85 2r5u h ASP 71 Cb 0.11 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.16 2r5u h ASP 71 CO -0.03 -0.14 -0.28 -0.07 -1.61 0.00 0.00 179.24 177.11 2r5u h LEU 72 N -0.51 -0.85 -0.69 2.28 3.38 -1.22 -2.72 115.31 114.99 2r5u h LEU 72 Ca -0.04 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.16 2r5u h LEU 72 Cb 0.38 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.39 2r5u h LEU 72 CO 0.07 -0.35 0.28 0.22 0.09 0.00 0.00 178.44 178.75 2r5u h TYR 73 N -0.41 0.48 0.00 1.13 3.20 -0.75 -0.86 116.97 119.76 2r5u h TYR 73 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 2r5u h TYR 73 Cb 0.51 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 2r5u h TYR 73 CO -0.32 0.10 -0.04 0.78 -1.64 0.00 0.00 178.16 177.04 2r5u h GLY 74 N 0.45 0.00 -1.60 1.82 0.00 -0.63 -1.74 103.07 101.38 2r5u h GLY 74 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2r5u h GLY 74 CO -0.35 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.73 2r5u n ARG 75 N -3.46 2.13 -1.84 4.80 1.74 -0.46 -4.94 116.66 114.63 2r5u n ARG 75 Ca -0.02 -1.71 -0.13 0.00 -0.77 0.00 0.00 57.85 55.22 2r5u n ARG 75 Cb 0.15 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 2r5u n ARG 75 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r5u n GLY 76 N 1.32 0.53 3.77 -0.13 0.00 -0.65 -5.02 105.19 105.01 2r5u n GLY 76 Ca 0.18 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2r5u n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r5u s GLU 77 N -3.92 3.67 0.29 1.61 0.41 -0.45 -5.01 118.70 115.29 2r5u s GLU 77 Ca 0.00 -0.23 -0.29 0.00 -0.41 0.00 0.00 54.97 54.04 2r5u s GLU 77 Cb 0.00 -3.20 -0.13 0.00 -1.78 0.00 0.00 34.13 29.02 2r5u s GLU 77 CO 0.00 0.56 1.21 -0.35 -0.49 0.00 0.00 175.26 176.19 2r5u n PRO 78 N 2.67 1.78 -3.91 0.39 -0.04 -1.26 -3.68 135.00 130.95 2r5u n PRO 78 Ca -0.18 0.63 -0.33 0.00 -0.04 0.00 0.00 63.50 63.57 2r5u n PRO 78 Cb 0.54 -2.15 -0.13 0.00 -0.04 0.00 0.00 33.50 31.72 2r5u n PRO 78 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r5u s ALA 79 N -0.79 3.01 0.36 0.55 0.00 -1.26 -4.82 121.76 118.81 2r5u s ALA 79 Ca 0.61 -2.52 0.05 0.00 0.00 0.00 0.00 51.96 50.09 2r5u s ALA 79 Cb -0.65 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 2r5u s ALA 79 CO 0.58 -1.73 0.20 0.16 0.00 0.00 0.00 175.76 174.96 2r5u s ASP 80 N 1.34 2.08 0.24 0.00 3.84 -1.26 -4.47 116.67 118.44 2r5u s ASP 80 Ca 0.09 -1.69 -0.05 0.00 -0.00 0.00 0.00 52.55 50.90 2r5u s ASP 80 Cb -0.21 0.52 0.46 0.00 -1.38 0.00 0.00 42.92 42.30 2r5u s ASP 80 CO -0.06 -0.98 1.67 0.00 -0.00 0.00 0.00 175.17 175.80 2r5u h ALA 81 N 2.01 0.91 0.17 2.11 0.00 -1.95 0.45 119.26 122.97 2r5u h ALA 81 Ca -0.31 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2r5u h ALA 81 Cb 1.25 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2r5u h ALA 81 CO 0.47 -0.36 -0.08 0.28 0.00 0.00 0.00 179.25 179.55 2r5u h VAL 82 N 0.23 0.94 -0.05 0.00 2.07 -1.97 -2.56 116.25 114.90 2r5u h VAL 82 Ca 0.41 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 2r5u h VAL 82 Cb 0.72 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 2r5u h VAL 82 CO -0.54 0.19 -0.47 0.71 0.02 0.00 0.00 177.57 177.47 2r5u h THR 83 N -0.67 1.34 -0.24 2.57 1.35 -1.79 -2.73 112.91 112.74 2r5u h THR 83 Ca -0.02 -1.65 -0.14 0.00 -0.55 0.00 0.00 66.41 64.05 2r5u h THR 83 Cb 0.48 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 2r5u h THR 83 CO 0.04 0.48 -0.39 0.58 -0.25 0.00 0.00 175.52 175.98 2r5u h VAL 84 N 0.09 1.31 -0.70 6.82 2.07 -0.97 -1.37 116.25 123.50 2r5u h VAL 84 Ca 0.00 -1.60 0.05 0.00 0.82 0.00 0.00 66.70 65.97 2r5u h VAL 84 Cb 0.87 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2r5u h VAL 84 CO 0.07 0.50 0.42 0.00 0.02 0.00 0.00 177.57 178.58 2r5u h ALA 85 N 0.64 0.93 -0.49 1.67 0.00 -1.39 0.12 119.26 120.74 2r5u h ALA 85 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2r5u h ALA 85 Cb 0.98 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2r5u h ALA 85 CO 0.09 0.15 0.31 0.00 0.00 0.00 0.00 179.25 179.80 2r5u h ALA 86 N 1.33 0.62 -0.13 0.00 0.00 -1.37 0.42 119.26 120.14 2r5u h ALA 86 Ca 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2r5u h ALA 86 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2r5u h ALA 86 CO -0.14 0.09 0.08 1.49 0.00 0.00 0.00 179.25 180.76 2r5u h GLU 87 N 0.66 0.17 -0.67 0.00 4.57 -0.79 -2.01 114.58 116.51 2r5u h GLU 87 Ca 0.18 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2r5u h GLU 87 Cb -0.04 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2r5u h GLU 87 CO -0.04 0.15 0.44 -0.07 -1.18 0.00 0.00 179.01 178.32 2r5u h LEU 88 N 0.14 0.76 -0.70 1.64 3.38 -0.57 -2.22 115.31 117.76 2r5u h LEU 88 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2r5u h LEU 88 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2r5u h LEU 88 CO -0.01 0.55 0.41 -0.78 0.09 0.00 0.00 178.44 178.70 2r5u h ASP 89 N 0.90 0.85 0.85 -0.43 1.82 -0.07 0.33 116.42 120.68 2r5u h ASP 89 Ca 0.25 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2r5u h ASP 89 Cb -0.10 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.70 2r5u h ASP 89 CO -0.06 0.67 0.00 0.03 -1.61 0.00 0.00 179.24 178.27 2r5u h ARG 90 N 0.95 0.00 0.00 0.28 3.08 -1.15 -0.51 114.38 117.04 2r5u h ARG 90 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2r5u h ARG 90 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2r5u h ARG 90 CO -0.05 0.00 -0.58 0.54 -1.07 0.00 0.00 179.97 178.82 2r5u n ARG 91 N -2.52 0.11 -0.97 0.04 1.74 -0.77 -4.95 116.66 109.34 2r5u n ARG 91 Ca 0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 2r5u n ARG 91 Cb 0.26 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 2r5u n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2r5u n GLY 92 N 1.44 0.43 0.24 -0.13 0.00 -0.20 -4.95 105.19 102.02 2r5u n GLY 92 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.32 2r5u n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2r5u n LEU 93 N 0.00 1.26 -0.04 0.99 4.77 0.04 -4.71 117.00 119.30 2r5u n LEU 93 Ca 0.00 -0.79 -0.09 0.00 -0.03 0.00 0.00 56.01 55.10 2r5u n LEU 93 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2r5u n LEU 93 CO 0.00 0.25 0.91 0.25 -1.33 0.00 0.00 177.39 177.47 2r5u h LEU 94 N 1.17 0.07 -0.98 2.23 5.85 -1.80 -2.30 115.31 119.55 2r5u h LEU 94 Ca 0.00 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2r5u h LEU 94 Cb 0.34 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2r5u h LEU 94 CO 0.00 0.07 0.37 0.03 -0.34 0.00 0.00 178.44 178.56 2r5u h ARG 95 N 0.16 1.09 -0.53 1.25 -0.00 -1.91 0.21 114.38 114.65 2r5u h ARG 95 Ca 0.09 -0.15 -0.04 0.00 -0.50 0.00 0.00 59.98 59.37 2r5u h ARG 95 Cb 0.06 -0.20 -0.03 0.00 0.00 0.00 0.00 29.97 29.80 2r5u h ARG 95 CO -0.09 0.84 0.16 -0.09 0.00 0.00 0.00 179.97 180.79 2r5u h ARG 96 N 1.09 0.79 -0.19 0.04 2.43 -1.72 -2.72 114.38 114.09 2r5u h ARG 96 Ca 0.26 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2r5u h ARG 96 Cb 0.11 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2r5u h ARG 96 CO -0.03 0.68 0.00 0.44 -1.51 0.00 0.00 179.97 179.55 2r5u n ILE 97 N -4.30 0.24 -0.23 1.20 -6.64 -0.91 -4.88 119.36 103.83 2r5u n ILE 97 Ca 0.04 -0.34 0.00 0.00 -1.77 0.00 0.00 62.75 60.68 2r5u n ILE 97 Cb 0.20 0.29 0.00 0.00 -1.44 0.00 0.00 39.64 38.69 2r5u n ILE 97 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2r5u n GLY 98 N 1.08 0.86 5.71 3.28 0.00 -1.03 -4.81 105.19 110.28 2r5u n GLY 98 Ca 0.15 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 46.02 2r5u n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r5u n GLY 99 N -2.23 -1.52 0.23 -0.02 0.00 0.71 -2.69 105.19 99.67 2r5u n GLY 99 Ca 0.00 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.90 2r5u n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r5u h ALA 100 N -0.66 1.60 -0.87 4.61 0.00 -1.95 -2.91 119.26 119.08 2r5u h ALA 100 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2r5u h ALA 100 Cb 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 2r5u h ALA 100 CO 0.00 0.22 0.54 -1.35 0.00 0.00 0.00 179.25 178.67 2r5u h PRO 101 N 0.00 0.97 -0.15 0.00 0.11 -1.99 -2.61 132.00 128.34 2r5u h PRO 101 Ca -0.00 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 2r5u h PRO 101 Cb 0.34 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 2r5u h PRO 101 CO 0.02 0.64 -0.41 -0.92 -0.21 0.00 0.00 178.00 177.13 2r5u h TYR 102 N 1.00 0.39 -0.62 0.65 5.03 -1.30 -1.80 116.97 120.31 2r5u h TYR 102 Ca 0.37 -0.11 0.05 0.00 2.58 0.00 0.00 58.73 61.62 2r5u h TYR 102 Cb 0.14 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.30 2r5u h TYR 102 CO -0.03 0.69 0.41 -0.07 -1.32 0.00 0.00 178.16 177.84 2r5u h LEU 103 N 0.28 0.59 -0.56 2.82 3.38 -1.48 -1.31 115.31 119.04 2r5u h LEU 103 Ca 0.03 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2r5u h LEU 103 Cb 0.84 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2r5u h LEU 103 CO 0.07 0.40 -0.18 -0.74 0.09 0.00 0.00 178.44 178.08 2r5u h HIS 104 N 0.68 1.10 -0.52 1.13 2.76 -1.01 -2.65 115.15 116.64 2r5u h HIS 104 Ca 0.26 -0.25 0.08 0.00 -2.20 0.00 0.00 60.37 58.26 2r5u h HIS 104 Cb 0.17 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 28.80 2r5u h HIS 104 CO -0.00 1.06 0.16 1.15 -1.30 0.00 0.00 177.93 179.00 2r5u h THR 105 N 0.85 0.79 0.03 6.26 2.02 -0.50 -1.38 112.91 120.97 2r5u h THR 105 Ca 0.12 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.20 2r5u h THR 105 Cb 0.74 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 2r5u h THR 105 CO 0.06 0.06 -0.07 -0.07 0.37 0.00 0.00 175.52 175.87 2r5u h LEU 106 N 0.33 -0.20 -0.98 2.58 3.38 -1.15 -1.01 115.31 118.26 2r5u h LEU 106 Ca 0.25 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 2r5u h LEU 106 Cb 0.30 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2r5u h LEU 106 CO -0.28 -0.11 0.24 0.40 0.09 0.00 0.00 178.44 178.78 2r5u h ILE 107 N -0.14 1.23 0.00 1.22 2.04 -1.35 -2.35 117.51 118.17 2r5u h ILE 107 Ca 0.02 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2r5u h ILE 107 Cb 0.16 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2r5u h ILE 107 CO -0.06 0.30 -0.01 0.77 0.00 0.00 0.00 178.15 179.15 2r5u h SER 108 N 0.96 0.00 -0.01 1.72 4.64 -1.03 -3.33 113.55 116.51 2r5u h SER 108 Ca 0.22 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.50 2r5u h SER 108 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2r5u h SER 108 CO -0.02 0.01 -0.15 0.74 -0.87 0.00 0.00 176.83 176.55 2r5u h THR 109 N 0.00 1.56 -1.66 2.95 2.02 -0.64 -3.45 112.91 113.70 2r5u h THR 109 Ca -0.00 -1.86 -0.71 0.00 0.77 0.00 0.00 66.41 64.61 2r5u h THR 109 Cb 0.75 2.76 0.01 0.00 -1.74 0.00 0.00 68.15 69.93 2r5u h THR 109 CO 0.00 0.50 0.97 0.55 0.37 0.00 0.00 175.52 177.91 2r5u n VAL 110 N -4.59 0.38 -0.03 3.16 3.14 -1.12 -4.87 118.33 114.39 2r5u n VAL 110 Ca -0.09 -0.07 -0.11 0.00 -2.96 0.00 0.00 64.34 61.11 2r5u n VAL 110 Cb 0.45 -1.41 -0.05 0.00 -1.06 0.00 0.00 33.84 31.78 2r5u n VAL 110 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2r5u h PRO 111 N 7.87 0.22 -2.76 1.45 0.11 -1.91 -3.44 132.00 133.54 2r5u h PRO 111 Ca -0.46 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2r5u h PRO 111 Cb 1.31 -0.04 -0.30 0.00 0.11 0.00 0.00 31.00 32.07 2r5u h PRO 111 CO 0.96 0.23 -0.45 -0.08 -0.21 0.00 0.00 178.00 178.45 2r5u s THR 112 N -5.85 -0.39 0.34 -1.15 -1.32 -1.26 -5.07 115.64 100.94 2r5u s THR 112 Ca -0.13 0.21 0.02 0.00 -1.21 0.00 0.00 61.69 60.58 2r5u s THR 112 Cb 0.07 -0.52 0.27 0.00 -1.51 0.00 0.00 72.50 70.81 2r5u s THR 112 CO 0.69 0.09 1.99 0.00 -2.21 0.00 0.00 174.62 175.18 2r5u h ALA 113 N 7.98 1.54 0.00 11.08 0.00 -1.90 -0.96 119.26 137.00 2r5u h ALA 113 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2r5u h ALA 113 Cb 1.13 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2r5u h ALA 113 CO 0.18 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.83 2r5u n ALA 114 N -2.43 1.31 0.63 0.00 0.00 -1.26 -1.65 120.51 117.11 2r5u n ALA 114 Ca 0.08 0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.74 2r5u n ALA 114 Cb 0.08 -1.34 0.19 0.00 0.00 0.00 0.00 19.45 18.37 2r5u n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2r5u n ASN 115 N -2.24 2.31 -0.28 0.00 3.02 -0.36 -4.53 115.26 113.17 2r5u n ASN 115 Ca 0.00 -2.00 0.09 0.00 -0.03 0.00 0.00 54.58 52.63 2r5u n ASN 115 Cb 0.12 -0.29 0.21 0.00 -0.61 0.00 0.00 39.78 39.21 2r5u n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r5u h ALA 116 N 3.78 0.99 -0.73 5.41 0.00 -1.44 -0.74 119.26 126.53 2r5u h ALA 116 Ca 0.00 0.24 0.13 0.00 0.00 0.00 0.00 54.91 55.28 2r5u h ALA 116 Cb 0.58 0.39 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2r5u h ALA 116 CO 0.00 -0.44 0.30 0.78 0.00 0.00 0.00 179.25 179.89 2r5u h GLY 117 N 0.14 1.10 1.00 0.00 0.00 -1.85 0.57 103.07 104.03 2r5u h GLY 117 Ca 0.48 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 2r5u h GLY 117 CO -0.68 -0.06 0.02 -0.97 0.00 0.00 0.00 176.54 174.85 2r5u h TYR 118 N 0.47 0.91 -0.39 5.60 0.05 -1.49 -2.14 116.97 119.97 2r5u h TYR 118 Ca 0.39 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.95 2r5u h TYR 118 Cb 0.56 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 2r5u h TYR 118 CO -0.16 0.86 -0.07 1.88 -1.05 0.00 0.00 178.16 179.63 2r5u h TYR 119 N 0.70 0.71 -0.47 4.88 0.99 -1.03 -2.81 116.97 119.94 2r5u h TYR 119 Ca 0.14 -0.11 -0.03 0.00 2.00 0.00 0.00 58.73 60.74 2r5u h TYR 119 Cb 0.49 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.00 2r5u h TYR 119 CO 0.04 0.71 0.18 0.00 -0.00 0.00 0.00 178.16 179.09 2r5u h ALA 120 N 1.31 1.44 -0.27 3.88 0.00 -0.65 -2.31 119.26 122.66 2r5u h ALA 120 Ca 0.11 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2r5u h ALA 120 Cb 0.49 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2r5u h ALA 120 CO 0.03 0.42 -0.20 0.77 0.00 0.00 0.00 179.25 180.27 2r5u h SER 121 N 0.66 0.48 0.12 0.00 0.02 -1.14 0.11 113.55 113.81 2r5u h SER 121 Ca 0.16 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2r5u h SER 121 Cb 0.14 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2r5u h SER 121 CO -0.01 0.70 -0.06 0.40 -1.14 0.00 0.00 176.83 176.72 2r5u h ILE 122 N 0.44 1.00 -0.51 3.27 2.04 -1.32 -0.17 117.51 122.25 2r5u h ILE 122 Ca 0.07 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.53 2r5u h ILE 122 Cb 0.60 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 2r5u h ILE 122 CO 0.04 0.11 0.23 0.58 0.00 0.00 0.00 178.15 179.11 2r5u h VAL 123 N -0.37 0.90 -0.42 1.67 2.07 -1.29 -0.65 116.25 118.16 2r5u h VAL 123 Ca -0.02 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2r5u h VAL 123 Cb 0.30 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2r5u h VAL 123 CO 0.03 0.08 0.27 0.00 0.02 0.00 0.00 177.57 177.97 2r5u h ALA 124 N 1.30 0.53 -0.38 1.67 0.00 -0.71 -0.78 119.26 120.89 2r5u h ALA 124 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2r5u h ALA 124 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2r5u h ALA 124 CO -0.19 -0.04 0.07 1.49 0.00 0.00 0.00 179.25 180.58 2r5u h GLU 125 N 0.54 0.63 -0.23 0.00 4.81 -0.81 -1.55 114.58 117.98 2r5u h GLU 125 Ca 0.16 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2r5u h GLU 125 Cb -0.04 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2r5u h GLU 125 CO -0.05 0.68 -0.06 0.87 -0.73 0.00 0.00 179.01 179.71 2r5u h LYS 126 N 0.48 0.35 -0.23 1.92 1.79 -0.96 -2.06 116.57 117.85 2r5u h LYS 126 Ca 0.12 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.34 2r5u h LYS 126 Cb 0.34 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2r5u h LYS 126 CO 0.01 0.43 -0.55 0.00 -1.08 0.00 0.00 179.45 178.25 2r5u h ALA 127 N 1.61 0.59 -0.17 3.86 0.00 -0.85 -1.22 119.26 123.07 2r5u h ALA 127 Ca 0.07 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2r5u h ALA 127 Cb 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2r5u h ALA 127 CO 0.01 0.69 0.11 1.25 0.00 0.00 0.00 179.25 181.31 2r5u h LEU 128 N 0.54 0.20 -0.76 0.00 6.46 -0.97 0.26 115.31 121.03 2r5u h LEU 128 Ca 0.01 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.73 2r5u h LEU 128 Cb 1.13 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.97 2r5u h LEU 128 CO 0.11 0.16 0.40 -0.07 -0.62 0.00 0.00 178.44 178.42 2r5u h LEU 129 N 0.22 0.97 -0.66 2.25 3.38 -1.28 -1.75 115.31 118.43 2r5u h LEU 129 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2r5u h LEU 129 Cb -0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 2r5u h LEU 129 CO -0.01 0.80 0.20 -0.09 0.09 0.00 0.00 178.44 179.43 2r5u h ARG 130 N 1.06 1.03 -0.45 1.13 2.43 -1.05 -1.84 114.38 116.68 2r5u h ARG 130 Ca 0.26 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2r5u h ARG 130 Cb 0.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2r5u h ARG 130 CO -0.04 0.90 0.27 0.00 -1.51 0.00 0.00 179.97 179.59 2r5u h ARG 131 N 0.96 0.61 -0.02 0.20 3.08 -0.61 -0.41 114.38 118.18 2r5u h ARG 131 Ca 0.21 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 2r5u h ARG 131 Cb 0.31 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 2r5u h ARG 131 CO -0.01 0.43 0.01 -0.07 -1.07 0.00 0.00 179.97 179.27 2r5u h LEU 132 N 0.62 0.03 0.04 3.04 3.38 -0.85 -0.09 115.31 121.49 2r5u h LEU 132 Ca 0.16 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2r5u h LEU 132 Cb -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2r5u h LEU 132 CO -0.03 0.20 -0.26 0.58 0.09 0.00 0.00 178.44 179.02 2r5u h VAL 133 N -0.13 0.41 -0.75 1.22 2.07 -1.08 0.23 116.25 118.23 2r5u h VAL 133 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2r5u h VAL 133 Cb 0.17 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 2r5u h VAL 133 CO -0.00 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.71 2r5u h GLU 134 N -0.42 0.82 -0.39 1.57 5.08 -1.10 -0.72 114.58 119.41 2r5u h GLU 134 Ca 0.05 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2r5u h GLU 134 Cb 0.49 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2r5u h GLU 134 CO -0.20 0.54 -0.04 0.00 -1.00 0.00 0.00 179.01 178.31 2r5u h ALA 135 N 1.35 0.53 -0.79 3.43 0.00 -0.63 -1.45 119.26 121.70 2r5u h ALA 135 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2r5u h ALA 135 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2r5u h ALA 135 CO -0.16 0.34 0.40 0.78 0.00 0.00 0.00 179.25 180.61 2r5u h GLY 136 N 0.52 1.20 0.99 0.00 0.00 -0.38 -1.59 103.07 103.82 2r5u h GLY 136 Ca 0.10 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 2r5u h GLY 136 CO 0.03 0.55 -0.03 -0.84 0.00 0.00 0.00 176.54 176.24 2r5u h THR 137 N 1.12 1.27 -0.69 4.70 2.02 -0.98 -1.68 112.91 118.66 2r5u h THR 137 Ca 0.28 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 2r5u h THR 137 Cb 0.09 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2r5u h THR 137 CO -0.04 0.38 0.36 0.03 0.37 0.00 0.00 175.52 176.62 2r5u h ARG 138 N 0.66 0.98 -0.34 6.66 3.08 -1.05 -2.37 114.38 121.99 2r5u h ARG 138 Ca 0.12 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2r5u h ARG 138 Cb 0.54 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2r5u h ARG 138 CO 0.03 0.75 0.21 0.28 -1.07 0.00 0.00 179.97 180.16 2r5u h VAL 139 N 0.95 1.05 -0.69 2.04 2.07 -1.05 0.13 116.25 120.75 2r5u h VAL 139 Ca 0.24 -0.15 0.10 0.00 0.82 0.00 0.00 66.70 67.71 2r5u h VAL 139 Cb 0.07 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.36 2r5u h VAL 139 CO -0.04 0.08 0.33 0.58 0.02 0.00 0.00 177.57 178.54 2r5u h VAL 140 N 0.42 0.82 -0.43 2.57 2.07 -1.22 -1.37 116.25 119.11 2r5u h VAL 140 Ca 0.13 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2r5u h VAL 140 Cb -0.02 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2r5u h VAL 140 CO -0.05 0.10 -0.02 1.56 0.02 0.00 0.00 177.57 179.18 2r5u h GLN 141 N 0.55 0.71 -0.03 1.57 4.20 -0.76 -2.50 115.11 118.86 2r5u h GLN 141 Ca 0.35 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 2r5u h GLN 141 Cb 0.39 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2r5u h GLN 141 CO -0.29 0.74 -0.32 1.88 -0.67 0.00 0.00 178.83 180.17 2r5u h TYR 142 N 0.67 0.06 -0.48 2.96 0.99 0.11 -0.59 116.97 120.70 2r5u h TYR 142 Ca 0.13 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.81 2r5u h TYR 142 Cb 0.44 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.14 2r5u h TYR 142 CO 0.02 0.37 0.16 0.78 -0.00 0.00 0.00 178.16 179.49 2r5u h GLY 143 N 1.00 0.79 2.00 3.88 0.00 -0.87 -3.20 103.07 106.67 2r5u h GLY 143 Ca 0.01 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 2r5u h GLY 143 CO 0.04 0.43 -0.74 -0.97 0.00 0.00 0.00 176.54 175.31 2r5u h TYR 144 N 0.63 0.00 -2.29 5.60 -1.99 -1.12 -3.42 116.97 114.38 2r5u h TYR 144 Ca 0.16 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.31 2r5u h TYR 144 Cb 0.25 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 2r5u h TYR 144 CO 0.01 0.74 1.38 0.00 -0.00 0.00 0.00 178.16 180.29 2r5u s ALA 145 N -2.93 2.87 -0.21 3.88 0.00 -0.26 -5.11 121.76 120.01 2r5u s ALA 145 Ca 0.02 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 2r5u s ALA 145 Cb 0.09 -4.02 0.11 0.00 0.00 0.00 0.00 23.12 19.30 2r5u s ALA 145 CO 0.78 -2.59 0.91 0.20 0.00 0.00 0.00 175.76 175.05 2r5u s GLY 146 N 7.03 -0.32 0.00 0.00 0.00 -1.26 -4.94 107.32 107.83 2r5u s GLY 146 Ca 0.91 2.16 0.00 0.00 0.00 0.00 0.00 44.72 47.79 2r5u s GLY 146 CO 0.35 1.46 0.00 0.00 0.00 0.00 0.00 173.10 174.90 2r5u n ALA 153 N 1.68 0.00 -0.11 3.20 0.00 -1.26 -5.25 120.51 118.78 2r5u n ALA 153 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 2r5u n ALA 153 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2r5u n ALA 153 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2r5u h GLU 154 N 0.00 0.79 -0.47 0.00 -0.00 -2.03 -2.87 114.58 110.00 2r5u h GLU 154 Ca 0.00 -0.39 -0.14 0.00 -0.00 0.00 0.00 59.36 58.83 2r5u h GLU 154 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 2r5u h GLU 154 CO 0.00 1.02 -0.25 0.28 -0.00 0.00 0.00 179.01 180.06 2r5u h VAL 155 N 0.57 1.27 -0.64 -1.06 2.07 -1.97 -2.60 116.25 113.89 2r5u h VAL 155 Ca 0.06 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 2r5u h VAL 155 Cb 0.84 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2r5u h VAL 155 CO 0.07 0.49 0.10 0.58 0.02 0.00 0.00 177.57 178.83 2r5u h VAL 156 N 0.85 1.26 -0.20 2.57 2.07 -1.94 -0.20 116.25 120.66 2r5u h VAL 156 Ca 0.10 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2r5u h VAL 156 Cb 0.84 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2r5u h VAL 156 CO 0.07 0.38 0.05 0.44 0.02 0.00 0.00 177.57 178.53 2r5u h ASP 157 N 0.99 0.30 -0.75 0.57 3.45 -1.50 -1.50 116.42 117.97 2r5u h ASP 157 Ca 0.20 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.43 2r5u h ASP 157 Cb 0.43 -0.08 -0.04 0.00 -0.56 0.00 0.00 39.33 39.08 2r5u h ASP 157 CO 0.01 0.45 0.49 0.03 -1.57 0.00 0.00 179.24 178.65 2r5u h ARG 158 N 0.13 1.01 -0.27 3.56 3.08 -1.22 -1.55 114.38 119.12 2r5u h ARG 158 Ca 0.06 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2r5u h ARG 158 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2r5u h ARG 158 CO 0.00 0.68 -0.52 0.00 -1.07 0.00 0.00 179.97 179.06 2r5u h ALA 159 N 1.51 0.43 -0.04 0.04 0.00 -0.92 -1.94 119.26 118.33 2r5u h ALA 159 Ca 0.28 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2r5u h ALA 159 Cb -0.10 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2r5u h ALA 159 CO -0.06 0.62 -0.05 1.96 0.00 0.00 0.00 179.25 181.73 2r5u h GLN 160 N 0.59 -0.06 -0.88 0.00 4.20 -1.09 -2.77 115.11 115.10 2r5u h GLN 160 Ca 0.01 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.81 2r5u h GLN 160 Cb 1.12 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 2r5u h GLN 160 CO 0.12 -0.04 0.53 0.00 -0.67 0.00 0.00 178.83 178.77 2r5u h ALA 161 N 0.97 1.25 -0.43 3.87 0.00 -1.22 -0.25 119.26 123.45 2r5u h ALA 161 Ca 0.04 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2r5u h ALA 161 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2r5u h ALA 161 CO -0.08 0.21 0.23 1.05 0.00 0.00 0.00 179.25 180.65 2r5u h GLU 162 N 0.92 0.44 0.12 0.00 9.09 -1.23 -2.23 114.58 121.69 2r5u h GLU 162 Ca 0.41 -0.03 -0.28 0.00 0.05 0.00 0.00 59.36 59.52 2r5u h GLU 162 Cb 0.30 -0.10 0.01 0.00 -1.65 0.00 0.00 28.75 27.31 2r5u h GLU 162 CO -0.22 0.29 -1.22 0.97 0.05 0.00 0.00 179.01 178.88 2r5u h ILE 163 N 0.45 1.45 0.00 -1.06 6.09 -1.13 -3.30 117.51 120.02 2r5u h ILE 163 Ca 0.18 -2.91 0.00 0.00 -1.37 0.00 0.00 64.86 60.76 2r5u h ILE 163 Cb 0.07 2.87 0.00 0.00 0.47 0.00 0.00 36.82 40.23 2r5u h ILE 163 CO -0.12 0.85 0.00 -1.22 -3.07 0.00 0.00 178.15 174.60 2r5u n TYR 164 N -3.60 0.67 -1.18 2.19 4.02 -0.16 -3.06 117.16 116.04 2r5u n TYR 164 Ca -0.09 0.20 -0.04 0.00 -0.01 0.00 0.00 57.90 57.96 2r5u n TYR 164 Cb 1.00 -0.83 0.25 0.00 -0.02 0.00 0.00 39.34 39.74 2r5u n TYR 164 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 2r5u n ASP 165 N -2.05 3.74 0.00 7.72 3.85 -0.84 -5.07 116.55 123.89 2r5u n ASP 165 Ca 0.06 -3.39 0.11 0.00 -0.71 0.00 0.00 54.79 50.85 2r5u n ASP 165 Cb 0.38 -0.67 0.64 0.00 -1.35 0.00 0.00 41.12 40.12 2r5u n ASP 165 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71