#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn h ALA 23 N 0.00 1.18 -0.02 -1.18 0.00 -1.99 -2.22 119.26 115.03 1umn h ALA 23 Ca 0.00 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1umn h ALA 23 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1umn h ALA 23 CO 0.00 0.14 -0.81 -0.44 0.00 0.00 0.00 179.25 178.14 1umn h ASP 24 N 0.83 0.30 -0.15 0.00 3.32 -1.99 -2.24 116.42 116.48 1umn h ASP 24 Ca 0.39 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1umn h ASP 24 Cb 0.33 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1umn h ASP 24 CO -0.23 0.99 0.08 0.28 -1.72 0.00 0.00 179.24 178.63 1umn h SER 25 N 0.14 0.19 -0.92 6.45 0.02 -1.78 -1.09 113.55 116.57 1umn h SER 25 Ca -0.04 -0.10 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1umn h SER 25 Cb 1.41 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.84 1umn h SER 25 CO 0.13 0.23 0.60 0.11 -1.14 0.00 0.00 176.83 176.76 1umn h LYS 26 N 0.14 1.04 -0.35 3.45 1.57 -1.38 -0.66 116.57 120.38 1umn h LYS 26 Ca 0.05 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1umn h LYS 26 Cb 0.09 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1umn h LYS 26 CO -0.01 0.69 -0.07 0.00 -0.57 0.00 0.00 179.45 179.49 1umn h ALA 27 N 1.49 0.48 -0.12 3.86 0.00 -0.90 -1.77 119.26 122.30 1umn h ALA 27 Ca 0.39 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1umn h ALA 27 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1umn h ALA 27 CO -0.14 0.32 -0.43 -0.24 0.00 0.00 0.00 179.25 178.75 1umn h VAL 28 N 0.46 1.32 -0.70 0.00 3.04 -0.85 -1.20 116.25 118.31 1umn h VAL 28 Ca 0.09 -1.58 -0.06 0.00 -1.01 0.00 0.00 66.70 64.13 1umn h VAL 28 Cb 0.57 1.71 -0.03 0.00 -2.01 0.00 0.00 31.29 31.53 1umn h VAL 28 CO 0.03 0.47 0.19 -0.07 -1.01 0.00 0.00 177.57 177.18 1umn h LEU 29 N 0.22 1.04 -0.56 3.16 3.38 -0.94 -1.38 115.31 120.24 1umn h LEU 29 Ca 0.02 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1umn h LEU 29 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1umn h LEU 29 CO 0.07 0.99 -0.60 -1.13 0.09 0.00 0.00 178.44 177.86 1umn h ASN 30 N 1.05 0.46 -0.89 -0.43 -1.24 -0.97 -1.75 115.58 111.82 1umn h ASN 30 Ca 0.22 -0.26 0.00 0.00 0.71 0.00 0.00 56.30 56.97 1umn h ASN 30 Cb 0.34 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 1umn h ASN 30 CO -0.00 0.95 0.56 -0.61 -1.29 0.00 0.00 177.43 177.04 1umn h GLN 31 N 0.30 1.19 -0.46 6.67 5.75 -0.90 -1.65 115.11 126.01 1umn h GLN 31 Ca -0.00 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 1umn h GLN 31 Cb 1.13 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1umn h GLN 31 CO 0.10 0.81 -0.02 0.00 -2.65 0.00 0.00 178.83 177.08 1umn h ALA 32 N 1.31 1.11 -0.67 3.38 0.00 -0.95 -0.22 119.26 123.22 1umn h ALA 32 Ca 0.32 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1umn h ALA 32 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1umn h ALA 32 CO -0.07 0.57 0.42 0.28 0.00 0.00 0.00 179.25 180.45 1umn h VAL 33 N 0.72 1.09 0.07 0.00 2.07 -0.42 0.31 116.25 120.09 1umn h VAL 33 Ca 0.14 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1umn h VAL 33 Cb 0.46 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1umn h VAL 33 CO 0.02 0.15 -0.03 0.00 0.02 0.00 0.00 177.57 177.73 1umn h ALA 34 N 1.28 -0.10 -0.85 1.67 0.00 -0.90 -2.36 119.26 118.01 1umn h ALA 34 Ca 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1umn h ALA 34 Cb 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1umn h ALA 34 CO -0.10 -0.32 0.47 -0.44 0.00 0.00 0.00 179.25 178.86 1umn h ASP 35 N -0.56 1.06 -0.46 0.00 3.32 -0.88 -1.62 116.42 117.29 1umn h ASP 35 Ca -0.01 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 1umn h ASP 35 Cb 0.48 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1umn h ASP 35 CO 0.02 0.85 0.03 -0.07 -1.72 0.00 0.00 179.24 178.35 1umn h LEU 36 N 1.19 0.81 -0.58 1.55 3.38 -0.44 0.21 115.31 121.44 1umn h LEU 36 Ca 0.30 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1umn h LEU 36 Cb 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1umn h LEU 36 CO -0.05 0.86 0.07 0.28 0.09 0.00 0.00 178.44 179.69 1umn h SER 37 N 0.80 0.94 0.01 -0.43 0.02 -0.86 0.27 113.55 114.30 1umn h SER 37 Ca 0.16 -0.27 -0.22 0.00 -0.84 0.00 0.00 61.79 60.62 1umn h SER 37 Cb 0.43 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1umn h SER 37 CO 0.02 0.98 -0.79 0.58 -1.14 0.00 0.00 176.83 176.47 1umn h VAL 38 N 0.87 1.31 -0.84 2.27 2.07 -1.10 -2.47 116.25 118.37 1umn h VAL 38 Ca 0.17 -2.07 0.00 0.00 0.82 0.00 0.00 66.70 65.63 1umn h VAL 38 Cb 0.46 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1umn h VAL 38 CO 0.02 0.64 0.54 0.00 0.02 0.00 0.00 177.57 178.79 1umn h ALA 39 N 0.67 1.07 -0.51 1.67 0.00 -0.41 0.17 119.26 121.91 1umn h ALA 39 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1umn h ALA 39 Cb 1.41 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1umn h ALA 39 CO 0.15 0.49 0.33 1.25 0.00 0.00 0.00 179.25 181.48 1umn h HIS 40 N 1.14 0.65 -0.47 0.00 6.17 -0.83 0.62 115.15 122.42 1umn h HIS 40 Ca 0.31 0.01 -0.00 0.00 0.71 0.00 0.00 60.37 61.39 1umn h HIS 40 Cb -0.10 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.59 1umn h HIS 40 CO -0.01 0.42 0.28 1.03 0.71 0.00 0.00 177.93 180.36 1umn h SER 41 N 0.69 0.57 -0.46 3.26 0.87 -0.88 -0.53 113.55 117.08 1umn h SER 41 Ca 0.19 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1umn h SER 41 Cb -0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1umn h SER 41 CO -0.04 0.46 0.18 0.40 -0.53 0.00 0.00 176.83 177.30 1umn h ILE 42 N 0.63 1.21 -0.95 2.23 2.04 -0.53 -0.98 117.51 121.16 1umn h ILE 42 Ca 0.17 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.41 1umn h ILE 42 Cb -0.00 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 1umn h ILE 42 CO -0.03 0.24 0.62 -0.07 0.00 0.00 0.00 178.15 178.91 1umn h LEU 43 N 0.59 1.04 -0.73 1.44 3.38 -0.61 -1.05 115.31 119.38 1umn h LEU 43 Ca 0.15 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1umn h LEU 43 Cb 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1umn h LEU 43 CO -0.01 0.72 0.18 -0.74 0.09 0.00 0.00 178.44 178.68 1umn h HIS 44 N 1.21 1.20 -0.09 1.13 2.76 -0.65 -0.50 115.15 120.22 1umn h HIS 44 Ca 0.38 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1umn h HIS 44 Cb -0.00 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.61 1umn h HIS 44 CO -0.00 0.97 0.05 0.37 -1.30 0.00 0.00 177.93 178.02 1umn h GLN 45 N 1.09 0.12 -0.61 5.26 4.15 -0.27 -0.88 115.11 123.97 1umn h GLN 45 Ca 0.23 -0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.68 1umn h GLN 45 Cb 0.36 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.98 1umn h GLN 45 CO 0.00 0.16 0.33 0.28 -1.93 0.00 0.00 178.83 177.68 1umn h VAL 46 N 0.05 0.97 -0.02 2.39 2.07 -0.97 0.68 116.25 121.41 1umn h VAL 46 Ca 0.03 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1umn h VAL 46 Cb 0.08 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1umn h VAL 46 CO -0.00 0.11 -0.15 -0.74 0.02 0.00 0.00 177.57 176.81 1umn h HIS 47 N 0.63 -0.39 -0.22 1.57 -0.00 -0.80 -2.32 115.15 113.62 1umn h HIS 47 Ca 0.27 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1umn h HIS 47 Cb 0.15 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1umn h HIS 47 CO -0.08 -0.22 -0.06 -1.49 -0.00 0.00 0.00 177.93 176.08 1umn h TRP 48 N -0.24 0.47 -0.01 5.26 6.55 -0.58 -3.32 115.95 124.08 1umn h TRP 48 Ca 0.06 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.80 1umn h TRP 48 Cb 0.32 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1umn h TRP 48 CO -0.22 0.66 -0.01 0.66 -1.05 0.00 0.00 178.44 178.49 1umn n TYR 49 N -4.60 0.00 -1.75 0.49 4.02 0.18 -4.96 117.16 110.54 1umn n TYR 49 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 1umn n TYR 49 Cb 0.29 -0.01 -0.01 0.00 -0.02 0.00 0.00 39.34 39.59 1umn n TYR 49 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1umn n MET 50 N -0.02 2.73 -3.75 -0.72 1.56 -0.87 -4.31 117.12 111.74 1umn n MET 50 Ca 0.19 0.97 -0.13 0.00 -0.27 0.00 0.00 57.70 58.46 1umn n MET 50 Cb 0.32 -2.75 -0.10 0.00 2.15 0.00 0.00 33.22 32.83 1umn n MET 50 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1umn s ARG 51 N -0.67 0.44 0.00 2.12 0.52 -1.26 -5.04 118.95 115.06 1umn s ARG 51 Ca 0.63 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 56.32 1umn s ARG 51 Cb -0.49 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.20 1umn s ARG 51 CO 0.50 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.17 1umn n GLY 52 N 2.81 3.44 3.72 -3.53 0.00 -1.26 -3.73 105.19 106.63 1umn n GLY 52 Ca -0.13 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.64 1umn n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1umn s ARG 53 N -2.58 4.15 0.00 1.61 1.81 -1.26 -1.58 118.95 121.10 1umn s ARG 53 Ca 0.00 2.54 0.00 0.00 -1.72 0.00 0.00 55.73 56.55 1umn s ARG 53 Cb 0.00 -3.16 0.00 0.00 -0.45 0.00 0.00 34.95 31.34 1umn s ARG 53 CO 0.00 -0.73 0.00 0.41 -0.68 0.00 0.00 175.30 174.30 1umn n GLY 54 N 3.95 1.05 0.21 -3.53 0.00 -1.26 -4.92 105.19 100.69 1umn n GLY 54 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 1umn n GLY 54 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1umn h PHE 55 N 0.00 -0.31 -0.14 1.61 3.57 -1.66 -0.21 116.94 119.80 1umn h PHE 55 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1umn h PHE 55 Cb 0.00 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1umn h PHE 55 CO 0.00 -0.23 0.12 1.98 -2.23 0.00 0.00 178.31 177.95 1umn h MET 56 N -0.02 0.00 0.06 1.11 4.05 -1.94 0.32 114.93 118.51 1umn h MET 56 Ca 0.23 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.31 1umn h MET 56 Cb 0.38 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 1umn h MET 56 CO -0.51 0.00 -1.90 1.51 0.23 0.00 0.00 176.91 176.24 1umn n ILE 57 N -4.24 1.66 0.14 1.77 0.13 -0.82 -4.42 119.36 113.59 1umn n ILE 57 Ca 0.00 -0.45 0.02 0.00 -1.10 0.00 0.00 62.75 61.23 1umn n ILE 57 Cb 0.24 -1.79 0.11 0.00 -0.84 0.00 0.00 39.64 37.36 1umn n ILE 57 CO 0.00 0.00 0.00 -0.50 2.80 0.00 0.00 176.55 178.85 1umn h TRP 58 N -0.33 0.00 0.31 9.51 4.06 -0.74 -2.81 115.95 125.95 1umn h TRP 58 Ca -0.45 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.49 1umn h TRP 58 Cb 1.78 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.94 1umn h TRP 58 CO 0.06 0.54 -0.15 1.25 -3.56 0.00 0.00 178.44 176.58 1umn h HIS 59 N 0.00 -0.39 -0.04 0.49 2.76 -0.57 -1.82 115.15 115.58 1umn h HIS 59 Ca -0.01 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.09 1umn h HIS 59 Cb 1.28 0.13 -0.01 0.00 1.55 0.00 0.00 27.41 30.35 1umn h HIS 59 CO 0.00 -0.22 -0.29 -1.35 -1.30 0.00 0.00 177.93 174.77 1umn h PRO 60 N -0.45 0.07 -0.78 5.26 0.11 -1.77 -2.70 132.00 131.73 1umn h PRO 60 Ca -0.04 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1umn h PRO 60 Cb 0.34 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 1umn h PRO 60 CO 0.07 0.36 0.41 -0.22 -0.21 0.00 0.00 178.00 178.40 1umn h LYS 61 N 0.06 1.10 -0.23 1.05 1.63 -1.18 -1.17 116.57 117.83 1umn h LYS 61 Ca 0.01 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1umn h LYS 61 Cb 0.55 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1umn h LYS 61 CO 0.04 0.83 0.13 0.52 -3.45 0.00 0.00 179.45 177.51 1umn h MET 62 N 1.10 0.31 -0.53 1.90 2.86 -1.00 -0.61 114.93 118.97 1umn h MET 62 Ca 0.27 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.80 1umn h MET 62 Cb 0.06 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1umn h MET 62 CO -0.04 0.22 -0.03 0.22 1.06 0.00 0.00 176.91 178.35 1umn h ASP 63 N 0.31 0.90 -0.37 1.22 3.58 -1.24 0.73 116.42 121.55 1umn h ASP 63 Ca 0.08 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.24 1umn h ASP 63 Cb 0.00 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 1umn h ASP 63 CO -0.01 0.97 0.05 -0.33 -2.88 0.00 0.00 179.24 177.04 1umn h GLU 64 N 0.84 0.62 -0.54 0.28 5.08 -0.79 -0.87 114.58 119.21 1umn h GLU 64 Ca 0.15 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1umn h GLU 64 Cb 0.54 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1umn h GLU 64 CO 0.03 0.69 0.35 1.88 -1.00 0.00 0.00 179.01 180.96 1umn h TYR 65 N 0.46 0.68 -0.59 4.33 0.99 -0.94 -0.08 116.97 121.82 1umn h TYR 65 Ca 0.11 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.87 1umn h TYR 65 Cb 0.37 -0.23 -0.03 0.00 1.00 0.00 0.00 36.73 37.84 1umn h TYR 65 CO 0.03 0.44 0.37 0.52 -0.00 0.00 0.00 178.16 179.52 1umn h MET 66 N 0.72 0.73 -0.78 4.88 2.86 -0.62 0.12 114.93 122.83 1umn h MET 66 Ca 0.20 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1umn h MET 66 Cb -0.07 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.38 1umn h MET 66 CO -0.04 0.48 0.51 1.49 1.06 0.00 0.00 176.91 180.41 1umn h GLU 67 N 0.75 0.97 -0.52 1.72 4.81 -0.50 0.86 114.58 122.68 1umn h GLU 67 Ca 0.23 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1umn h GLU 67 Cb -0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1umn h GLU 67 CO -0.07 0.64 0.11 1.49 -0.73 0.00 0.00 179.01 180.45 1umn h GLU 68 N 1.00 0.84 -0.83 1.92 4.81 -0.22 -1.69 114.58 120.42 1umn h GLU 68 Ca 0.31 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1umn h GLU 68 Cb -0.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1umn h GLU 68 CO -0.10 0.82 0.54 0.82 -0.73 0.00 0.00 179.01 180.36 1umn h ILE 69 N 0.73 1.22 -0.63 2.32 1.08 -0.22 -1.36 117.51 120.63 1umn h ILE 69 Ca 0.16 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1umn h ILE 69 Cb 0.37 0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1umn h ILE 69 CO 0.01 0.21 0.37 0.44 -0.69 0.00 0.00 178.15 178.49 1umn h ASP 70 N 1.13 0.76 -0.48 1.72 3.45 -0.46 -1.61 116.42 120.92 1umn h ASP 70 Ca 0.30 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.70 1umn h ASP 70 Cb -0.11 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.45 1umn h ASP 70 CO -0.06 0.59 0.21 1.23 -1.57 0.00 0.00 179.24 179.64 1umn h GLY 71 N 0.91 0.75 1.19 2.75 0.00 -0.34 -0.44 103.07 107.90 1umn h GLY 71 Ca 0.23 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1umn h GLY 71 CO -0.04 0.37 0.15 -0.97 0.00 0.00 0.00 176.54 176.05 1umn h TYR 72 N 0.63 1.04 -0.89 5.60 0.05 -0.90 -1.24 116.97 121.26 1umn h TYR 72 Ca 0.16 -0.11 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1umn h TYR 72 Cb 0.15 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 37.55 1umn h TYR 72 CO -0.00 0.86 0.58 1.25 -1.05 0.00 0.00 178.16 179.80 1umn h LEU 73 N 0.96 1.04 0.18 3.88 5.85 -0.87 0.11 115.31 126.45 1umn h LEU 73 Ca 0.20 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1umn h LEU 73 Cb 0.35 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1umn h LEU 73 CO 0.00 0.76 -0.08 0.44 -0.34 0.00 0.00 178.44 179.22 1umn h ASP 74 N 1.22 -0.20 -0.48 1.25 3.32 -0.54 -0.26 116.42 120.73 1umn h ASP 74 Ca 0.33 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1umn h ASP 74 Cb -0.12 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1umn h ASP 74 CO -0.07 -0.05 0.28 -0.33 -1.72 0.00 0.00 179.24 177.35 1umn h GLU 75 N -0.34 0.65 -0.06 3.56 5.08 -0.75 -1.65 114.58 121.08 1umn h GLU 75 Ca -0.02 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1umn h GLU 75 Cb 0.26 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1umn h GLU 75 CO 0.04 0.49 -0.59 0.52 -1.00 0.00 0.00 179.01 178.48 1umn h MET 76 N 0.63 0.50 -0.47 2.33 2.86 -0.81 -2.19 114.93 117.78 1umn h MET 76 Ca 0.17 -0.46 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 1umn h MET 76 Cb 0.01 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1umn h MET 76 CO -0.03 1.10 0.20 0.66 1.06 0.00 0.00 176.91 179.89 1umn h SER 77 N 0.06 0.63 -0.81 1.22 4.64 -1.07 -1.09 113.55 117.15 1umn h SER 77 Ca -0.06 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1umn h SER 77 Cb 1.26 -0.16 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 1umn h SER 77 CO 0.12 0.62 0.43 -0.33 -0.87 0.00 0.00 176.83 176.80 1umn h GLU 78 N 0.61 1.13 -0.56 4.77 5.08 -1.34 -0.98 114.58 123.29 1umn h GLU 78 Ca 0.16 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1umn h GLU 78 Cb 0.17 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1umn h GLU 78 CO -0.01 0.84 -0.07 -0.09 -1.00 0.00 0.00 179.01 178.68 1umn h ARG 79 N 1.12 1.04 -0.40 2.33 9.65 -1.25 -0.43 114.38 126.44 1umn h ARG 79 Ca 0.28 -0.36 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1umn h ARG 79 Cb 0.05 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 1umn h ARG 79 CO -0.04 1.05 0.25 1.25 2.80 0.00 0.00 179.97 185.27 1umn h LEU 80 N 0.93 0.47 -0.64 3.80 5.85 -0.74 -0.44 115.31 124.54 1umn h LEU 80 Ca 0.15 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1umn h LEU 80 Cb 0.63 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1umn h LEU 80 CO 0.04 0.37 0.29 0.40 -0.34 0.00 0.00 178.44 179.21 1umn h ILE 81 N 0.52 1.22 -0.39 4.05 2.04 -1.02 0.20 117.51 124.14 1umn h ILE 81 Ca 0.14 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 1umn h ILE 81 Cb -0.02 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 1umn h ILE 81 CO -0.03 0.27 0.15 0.74 0.00 0.00 0.00 178.15 179.28 1umn h THR 82 N 0.88 1.15 -0.02 -0.27 2.02 -0.67 -1.21 112.91 114.80 1umn h THR 82 Ca 0.22 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1umn h THR 82 Cb 0.15 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1umn h THR 82 CO -0.02 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.23 1umn n LEU 83 N -4.38 0.28 0.00 2.58 4.77 -0.21 -4.87 117.00 115.18 1umn n LEU 83 Ca 0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1umn n LEU 83 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1umn n LEU 83 CO 0.37 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1umn n GLY 84 N 0.91 0.72 3.50 -0.72 0.00 -0.46 -5.08 105.19 104.06 1umn n GLY 84 Ca 0.17 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1umn n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1umn n GLY 85 N -2.49 0.08 2.70 -0.02 0.00 0.66 -5.00 105.19 101.12 1umn n GLY 85 Ca 0.00 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 1umn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1umn s ALA 86 N -3.37 1.11 0.32 4.61 0.00 -1.26 -4.45 121.76 118.72 1umn s ALA 86 Ca 0.62 -1.06 -0.28 0.00 0.00 0.00 0.00 51.96 51.23 1umn s ALA 86 Cb -0.03 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.64 1umn s ALA 86 CO 0.42 -1.40 1.20 -1.25 0.00 0.00 0.00 175.76 174.72 1umn s PRO 87 N 1.82 4.41 0.27 0.00 0.04 -1.26 -4.97 135.00 135.32 1umn s PRO 87 Ca 0.04 1.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1umn s PRO 87 Cb -0.17 -3.04 -0.14 0.00 0.04 0.00 0.00 34.50 31.19 1umn s PRO 87 CO -0.18 -0.05 1.21 1.19 0.04 0.00 0.00 177.00 179.21 1umn n PHE 88 N 0.82 1.78 -2.51 0.56 0.99 -1.26 -4.88 117.46 112.95 1umn n PHE 88 Ca 0.00 0.59 -0.01 0.00 -0.00 0.00 0.00 57.45 58.03 1umn n PHE 88 Cb 0.44 -2.35 0.03 0.00 -1.00 0.00 0.00 39.48 36.59 1umn n PHE 88 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1umn n SER 89 N 1.46 0.17 -3.95 4.37 3.41 -1.26 -4.96 113.62 112.86 1umn n SER 89 Ca 0.10 -2.05 -0.09 0.00 -0.26 0.00 0.00 58.87 56.56 1umn n SER 89 Cb 0.32 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1umn n SER 89 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1umn s THR 90 N -0.98 0.12 0.34 6.66 -4.23 -1.26 -5.05 115.64 111.25 1umn s THR 90 Ca 0.19 -0.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1umn s THR 90 Cb 0.29 -0.56 0.21 0.00 1.34 0.00 0.00 72.50 73.79 1umn s THR 90 CO -0.09 -0.54 1.94 -0.07 -0.54 0.00 0.00 174.62 175.32 1umn h LEU 91 N 4.21 0.62 -0.38 4.79 3.38 -1.99 -1.90 115.31 124.04 1umn h LEU 91 Ca -0.32 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1umn h LEU 91 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1umn h LEU 91 CO 0.45 0.56 0.24 0.50 0.09 0.00 0.00 178.44 180.28 1umn h LYS 92 N 0.69 0.51 -0.53 1.13 3.64 -1.98 0.15 116.57 120.18 1umn h LYS 92 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1umn h LYS 92 Cb 0.12 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1umn h LYS 92 CO -0.02 0.36 0.07 0.93 -2.27 0.00 0.00 179.45 178.53 1umn h GLU 93 N 0.51 0.88 -0.05 1.90 5.08 -1.87 -0.17 114.58 120.86 1umn h GLU 93 Ca 0.14 -0.24 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1umn h GLU 93 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1umn h GLU 93 CO -0.03 0.87 -0.01 0.74 -1.00 0.00 0.00 179.01 179.58 1umn h PHE 94 N 0.77 -0.03 -0.47 4.33 0.05 -1.01 0.05 116.94 120.63 1umn h PHE 94 Ca 0.16 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.87 1umn h PHE 94 Cb 0.42 0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.37 1umn h PHE 94 CO 0.03 -0.02 -0.06 1.03 -0.18 0.00 0.00 178.31 179.11 1umn h SER 95 N 0.00 0.81 0.81 2.17 0.87 -0.89 -1.13 113.55 116.19 1umn h SER 95 Ca 0.02 -0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 60.15 1umn h SER 95 Cb 0.04 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1umn h SER 95 CO -0.05 0.91 -0.94 -0.33 -0.53 0.00 0.00 176.83 175.90 1umn h GLU 96 N 0.76 0.07 0.00 2.24 5.08 -0.85 -3.33 114.58 118.54 1umn h GLU 96 Ca 0.13 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1umn h GLU 96 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1umn h GLU 96 CO 0.03 0.95 -1.15 -0.91 -1.00 0.00 0.00 179.01 176.93 1umn h ASN 97 N 0.03 0.00 -4.00 1.42 2.35 -0.93 -3.47 115.58 110.98 1umn h ASN 97 Ca -0.03 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.22 1umn h ASN 97 Cb 1.62 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.04 1umn h ASN 97 CO 0.13 0.23 0.45 -0.55 -1.65 0.00 0.00 177.43 176.04 1umn s SER 98 N -5.54 6.32 0.00 5.81 0.15 -0.44 -4.87 113.70 115.15 1umn s SER 98 Ca -0.01 2.19 0.25 0.00 0.70 0.00 0.00 55.95 59.08 1umn s SER 98 Cb 0.09 -2.59 0.52 0.00 -1.71 0.00 0.00 66.02 62.33 1umn s SER 98 CO 0.80 -0.80 1.42 0.00 1.20 0.00 0.00 173.24 175.86 1umn n GLN 99 N -0.45 1.17 -3.03 5.44 1.13 -1.26 -4.89 117.38 115.49 1umn n GLN 99 Ca 0.07 -0.81 -0.34 0.00 -1.94 0.00 0.00 57.00 53.98 1umn n GLN 99 Cb 0.49 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 1umn n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1umn s LEU 100 N -2.39 4.13 -0.09 1.08 1.43 -1.26 -5.07 118.68 116.51 1umn s LEU 100 Ca 0.25 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 1umn s LEU 100 Cb 0.19 -4.05 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 1umn s LEU 100 CO 0.50 -0.17 -0.17 -1.59 0.23 0.00 0.00 176.35 175.15 1umn s LYS 101 N -2.69 2.91 0.12 1.70 0.00 -1.26 -5.09 119.74 115.43 1umn s LYS 101 Ca 0.53 -0.75 0.03 0.00 0.00 0.00 0.00 55.97 55.78 1umn s LYS 101 Cb -0.12 -2.43 -0.04 0.00 0.00 0.00 0.00 37.83 35.24 1umn s LYS 101 CO 0.18 0.38 0.14 -1.21 0.00 0.00 0.00 175.35 174.84 1umn s GLU 102 N -0.10 3.02 0.19 1.78 2.02 -1.26 -5.11 118.70 119.24 1umn s GLU 102 Ca -0.03 -0.72 0.04 0.00 0.02 0.00 0.00 54.97 54.28 1umn s GLU 102 Cb -0.14 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1umn s GLU 102 CO 0.04 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 175.95 1umn s VAL 103 N -1.58 1.10 0.44 2.63 -7.23 -1.26 -5.13 120.40 109.37 1umn s VAL 103 Ca 0.31 -2.05 -0.25 0.00 -1.81 0.00 0.00 61.98 58.18 1umn s VAL 103 Cb -0.11 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.62 1umn s VAL 103 CO 0.24 -0.51 1.34 -0.76 -0.31 0.00 0.00 175.10 175.11 1umn s LEU 104 N -3.25 4.12 0.49 1.32 1.43 -1.26 -4.94 118.68 116.60 1umn s LEU 104 Ca 0.23 2.74 -0.24 0.00 -1.03 0.00 0.00 54.13 55.84 1umn s LEU 104 Cb 0.04 -3.98 -0.07 0.00 0.03 0.00 0.00 46.19 42.22 1umn s LEU 104 CO 0.05 -1.05 1.35 -0.83 0.23 0.00 0.00 176.35 176.10 1umn s GLY 105 N -0.72 2.89 -0.10 -3.19 0.00 -1.26 -5.02 107.32 99.92 1umn s GLY 105 Ca 0.60 1.31 -0.04 0.00 0.00 0.00 0.00 44.72 46.60 1umn s GLY 105 CO 0.50 1.86 0.21 -0.35 0.00 0.00 0.00 173.10 175.32 1umn s ASP 106 N -0.83 0.41 0.41 1.64 -1.08 -1.26 -5.04 116.67 110.91 1umn s ASP 106 Ca 0.65 0.45 0.27 0.00 -0.52 0.00 0.00 52.55 53.40 1umn s ASP 106 Cb -0.40 0.44 0.82 0.00 -1.46 0.00 0.00 42.92 42.32 1umn s ASP 106 CO 0.49 -0.23 1.77 1.88 0.52 0.00 0.00 175.17 179.60 1umn h TYR 107 N 8.10 0.00 0.00 -5.34 -1.99 -1.96 -3.31 116.97 112.48 1umn h TYR 107 Ca -0.19 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.44 1umn h TYR 107 Cb 1.12 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.84 1umn h TYR 107 CO 0.40 0.00 -0.45 -0.91 -0.00 0.00 0.00 178.16 177.20 1umn h ASN 108 N 0.00 0.00 -2.12 3.88 -0.26 -1.96 -3.40 115.58 111.72 1umn h ASN 108 Ca 0.00 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.11 1umn h ASN 108 Cb 0.72 0.00 0.07 0.00 -1.06 0.00 0.00 38.32 38.05 1umn h ASN 108 CO 0.00 0.45 0.49 0.52 -1.06 0.00 0.00 177.43 177.83 1umn n VAL 109 N -3.33 0.54 -1.45 2.81 0.31 -1.25 -4.92 118.33 111.04 1umn n VAL 109 Ca 0.01 -0.13 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1umn n VAL 109 Cb 0.65 -1.11 0.08 0.00 -0.91 0.00 0.00 33.84 32.54 1umn n VAL 109 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1umn s THR 110 N 0.19 3.01 0.17 2.52 -4.23 -1.26 -4.57 115.64 111.47 1umn s THR 110 Ca 0.76 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 61.53 1umn s THR 110 Cb -0.80 -2.88 0.05 0.00 1.34 0.00 0.00 72.50 70.22 1umn s THR 110 CO 0.48 -0.35 1.75 0.40 -0.54 0.00 0.00 174.62 176.36 1umn h ILE 111 N -0.57 0.88 -0.55 2.99 1.08 -1.91 -0.51 117.51 118.92 1umn h ILE 111 Ca -0.45 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 1umn h ILE 111 Cb 1.25 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 1umn h ILE 111 CO 0.51 0.06 0.26 -0.33 -0.69 0.00 0.00 178.15 177.96 1umn h GLU 112 N 0.33 0.77 -0.60 2.37 5.08 -1.93 -0.45 114.58 120.15 1umn h GLU 112 Ca 0.20 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1umn h GLU 112 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1umn h GLU 112 CO -0.19 0.60 -0.01 0.93 -1.00 0.00 0.00 179.01 179.34 1umn h GLU 113 N 0.77 1.07 -0.33 2.33 5.08 -1.70 -1.27 114.58 120.54 1umn h GLU 113 Ca 0.19 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.18 1umn h GLU 113 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1umn h GLU 113 CO -0.02 1.05 0.11 1.96 -1.00 0.00 0.00 179.01 181.11 1umn h GLN 114 N 0.97 0.51 -0.51 2.33 1.08 -0.30 -1.14 115.11 118.06 1umn h GLN 114 Ca 0.17 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.20 1umn h GLN 114 Cb 0.57 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 1umn h GLN 114 CO 0.03 0.54 0.04 -0.07 -0.95 0.00 0.00 178.83 178.41 1umn h LEU 115 N 0.38 0.79 -0.97 1.46 3.38 -0.97 -1.35 115.31 118.03 1umn h LEU 115 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1umn h LEU 115 Cb 0.23 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1umn h LEU 115 CO -0.00 0.83 0.34 0.00 0.09 0.00 0.00 178.44 179.69 1umn h ALA 116 N 1.26 1.19 -0.73 1.53 0.00 -1.01 -0.37 119.26 121.13 1umn h ALA 116 Ca 0.16 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1umn h ALA 116 Cb 0.42 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1umn h ALA 116 CO 0.01 0.60 0.23 -0.09 0.00 0.00 0.00 179.25 180.01 1umn h ARG 117 N 1.06 1.13 -0.66 0.00 9.65 -0.26 -1.34 114.38 123.96 1umn h ARG 117 Ca 0.25 -0.24 -0.08 0.00 -1.10 0.00 0.00 59.98 58.82 1umn h ARG 117 Cb 0.14 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1umn h ARG 117 CO -0.03 0.96 0.11 0.28 2.80 0.00 0.00 179.97 184.09 1umn h VAL 118 N 1.09 1.26 -0.65 0.20 2.07 -0.66 -1.48 116.25 118.07 1umn h VAL 118 Ca 0.24 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1umn h VAL 118 Cb 0.30 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1umn h VAL 118 CO -0.01 0.39 0.40 0.58 0.02 0.00 0.00 177.57 178.94 1umn h VAL 119 N 1.01 1.06 -0.68 2.57 2.07 -0.59 0.67 116.25 122.35 1umn h VAL 119 Ca 0.20 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1umn h VAL 119 Cb 0.44 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1umn h VAL 119 CO 0.01 0.14 0.32 -0.33 0.02 0.00 0.00 177.57 177.73 1umn h GLU 120 N 0.77 0.99 -0.50 1.57 3.07 -0.85 0.30 114.58 119.92 1umn h GLU 120 Ca 0.27 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1umn h GLU 120 Cb 0.06 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1umn h GLU 120 CO -0.12 0.79 0.27 0.28 -1.40 0.00 0.00 179.01 178.83 1umn h VAL 121 N 0.95 1.18 -0.57 3.13 2.07 -0.46 -1.94 116.25 120.61 1umn h VAL 121 Ca 0.23 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1umn h VAL 121 Cb 0.13 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1umn h VAL 121 CO -0.03 0.19 0.04 -0.26 0.02 0.00 0.00 177.57 177.53 1umn h PHE 122 N 0.67 1.03 -0.75 1.57 -1.00 -0.40 -0.53 116.94 117.54 1umn h PHE 122 Ca 0.18 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1umn h PHE 122 Cb 0.06 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.30 1umn h PHE 122 CO -0.02 0.91 0.42 0.00 -1.61 0.00 0.00 178.31 178.01 1umn h ARG 123 N 0.90 1.04 -0.31 1.51 3.08 -0.19 0.53 114.38 120.93 1umn h ARG 123 Ca 0.17 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1umn h ARG 123 Cb 0.48 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1umn h ARG 123 CO 0.02 0.77 0.13 -0.92 -1.07 0.00 0.00 179.97 178.90 1umn h TYR 124 N 1.03 0.48 -0.75 3.04 3.20 -0.94 -1.61 116.97 121.42 1umn h TYR 124 Ca 0.26 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.11 1umn h TYR 124 Cb 0.03 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1umn h TYR 124 CO -0.00 0.45 0.49 -0.07 -1.64 0.00 0.00 178.16 177.40 1umn h LEU 125 N 0.36 0.85 -0.95 2.82 3.38 -0.64 0.69 115.31 121.83 1umn h LEU 125 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1umn h LEU 125 Cb 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1umn h LEU 125 CO -0.01 0.61 0.31 0.00 0.09 0.00 0.00 178.44 179.45 1umn h ALA 126 N 1.28 1.17 -0.50 1.53 0.00 -0.70 0.19 119.26 122.23 1umn h ALA 126 Ca 0.28 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1umn h ALA 126 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1umn h ALA 126 CO -0.06 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.59 1umn h ALA 127 N 1.29 0.69 -0.55 0.00 0.00 -0.72 -1.15 119.26 118.83 1umn h ALA 127 Ca 0.25 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1umn h ALA 127 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1umn h ALA 127 CO -0.02 0.68 0.30 1.25 0.00 0.00 0.00 179.25 181.45 1umn h LEU 128 N 0.88 0.69 -1.03 0.00 5.85 -0.19 -1.52 115.31 119.99 1umn h LEU 128 Ca 0.12 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1umn h LEU 128 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1umn h LEU 128 CO 0.07 0.59 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.41 1umn h PHE 129 N 0.74 0.64 -0.43 1.25 0.05 -0.39 -0.29 116.94 118.51 1umn h PHE 129 Ca 0.19 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1umn h PHE 129 Cb 0.05 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.81 1umn h PHE 129 CO -0.01 0.67 0.22 0.37 -0.18 0.00 0.00 178.31 179.37 1umn h GLN 130 N 0.55 0.62 -0.46 1.51 5.75 -0.85 0.16 115.11 122.40 1umn h GLN 130 Ca 0.10 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 1umn h GLN 130 Cb 0.48 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1umn h GLN 130 CO 0.03 0.52 0.30 0.87 -2.65 0.00 0.00 178.83 177.90 1umn h LYS 131 N 0.56 0.60 -0.62 1.69 6.56 -0.77 0.11 116.57 124.70 1umn h LYS 131 Ca 0.15 -0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.73 1umn h LYS 131 Cb 0.10 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.59 1umn h LYS 131 CO -0.02 0.39 0.39 0.78 -2.06 0.00 0.00 179.45 178.93 1umn h GLY 132 N 0.61 0.89 0.91 3.86 0.00 -0.65 -0.08 103.07 108.61 1umn h GLY 132 Ca 0.17 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1umn h GLY 132 CO -0.04 0.25 0.32 -2.75 0.00 0.00 0.00 176.54 174.32 1umn h PHE 133 N 0.76 0.60 0.08 5.60 3.57 -0.03 -1.76 116.94 125.75 1umn h PHE 133 Ca 0.25 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1umn h PHE 133 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1umn h PHE 133 CO -0.05 0.35 -0.04 -0.44 -2.23 0.00 0.00 178.31 175.90 1umn h ASP 134 N 0.64 -0.09 -0.62 0.41 3.32 0.07 -0.82 116.42 119.33 1umn h ASP 134 Ca 0.20 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 1umn h ASP 134 Cb -0.00 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1umn h ASP 134 CO -0.08 0.10 0.19 -0.37 -1.72 0.00 0.00 179.24 177.36 1umn h VAL 135 N -0.28 1.24 -0.20 -1.35 -1.51 -0.98 -1.56 116.25 111.62 1umn h VAL 135 Ca -0.01 -0.85 -0.17 0.00 -1.23 0.00 0.00 66.70 64.44 1umn h VAL 135 Cb 0.24 0.54 -0.00 0.00 -2.13 0.00 0.00 31.29 29.93 1umn h VAL 135 CO 0.02 0.33 -0.56 0.77 -1.23 0.00 0.00 177.57 176.90 1umn h SER 136 N 0.96 0.67 -0.41 4.19 4.64 -1.30 -1.79 113.55 120.51 1umn h SER 136 Ca 0.21 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1umn h SER 136 Cb 0.29 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1umn h SER 136 CO -0.01 1.09 0.15 -0.78 -0.87 0.00 0.00 176.83 176.41 1umn h ASP 137 N 0.46 0.58 -0.68 4.97 3.58 -0.92 -1.50 116.42 122.92 1umn h ASP 137 Ca 0.01 -0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.27 1umn h ASP 137 Cb 1.12 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 1umn h ASP 137 CO 0.11 0.61 0.41 -0.33 -2.88 0.00 0.00 179.24 177.16 1umn h GLU 138 N 0.52 0.93 0.00 0.28 3.07 -1.19 -2.46 114.58 115.73 1umn h GLU 138 Ca 0.14 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1umn h GLU 138 Cb 0.22 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1umn h GLU 138 CO -0.01 0.66 -0.20 0.39 -1.40 0.00 0.00 179.01 178.45 1umn n GLU 139 N -4.39 0.07 -0.54 2.33 4.71 -0.68 -4.94 120.64 117.20 1umn n GLU 139 Ca 0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 1umn n GLU 139 Cb 0.07 -1.57 0.00 0.00 -1.01 0.00 0.00 31.44 28.94 1umn n GLU 139 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1umn n GLY 140 N 1.45 0.76 3.42 0.62 0.00 -0.65 -4.94 105.19 105.86 1umn n GLY 140 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1umn n GLY 140 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1umn n ASP 141 N 0.00 4.83 -0.02 1.61 -0.08 -0.69 -4.84 116.55 117.36 1umn n ASP 141 Ca 0.00 -2.92 0.03 0.00 -1.51 0.00 0.00 54.79 50.39 1umn n ASP 141 Cb 0.00 -1.71 0.39 0.00 2.34 0.00 0.00 41.12 42.14 1umn n ASP 141 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1umn h SER 142 N 7.24 0.52 0.01 1.67 4.64 -1.94 -2.11 113.55 123.57 1umn h SER 142 Ca 0.45 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1umn h SER 142 Cb 0.83 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1umn h SER 142 CO 1.50 0.40 -0.00 0.58 -0.87 0.00 0.00 176.83 178.44 1umn h VAL 143 N 0.60 1.13 -0.85 0.95 2.07 -1.96 -1.48 116.25 116.70 1umn h VAL 143 Ca 0.16 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1umn h VAL 143 Cb -0.02 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1umn h VAL 143 CO -0.03 0.11 0.53 0.74 0.02 0.00 0.00 177.57 178.94 1umn h THR 144 N -0.18 1.23 -0.47 2.57 2.02 -1.94 -2.32 112.91 113.83 1umn h THR 144 Ca -0.00 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.75 1umn h THR 144 Cb 0.18 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1umn h THR 144 CO 0.00 0.23 0.23 -1.13 0.37 0.00 0.00 175.52 175.23 1umn h ASN 145 N 1.17 0.34 -0.69 4.18 -0.73 -1.05 -2.37 115.58 116.43 1umn h ASN 145 Ca 0.31 0.03 -0.04 0.00 1.87 0.00 0.00 56.30 58.47 1umn h ASN 145 Cb -0.08 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.44 1umn h ASN 145 CO -0.06 0.24 0.29 -0.78 -0.37 0.00 0.00 177.43 176.74 1umn h ASP 146 N 0.46 0.95 -0.41 1.15 -0.00 -0.85 -2.11 116.42 115.61 1umn h ASP 146 Ca 0.20 -0.16 0.04 0.00 -0.00 0.00 0.00 57.03 57.11 1umn h ASP 146 Cb 0.11 -0.25 -0.04 0.00 -0.00 0.00 0.00 39.33 39.15 1umn h ASP 146 CO -0.14 0.85 0.17 0.40 -0.00 0.00 0.00 179.24 180.52 1umn h ILE 147 N 0.98 0.92 -0.42 2.25 2.04 -0.94 -0.56 117.51 121.79 1umn h ILE 147 Ca 0.23 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.88 1umn h ILE 147 Cb 0.19 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1umn h ILE 147 CO -0.02 0.07 -0.10 -0.26 0.00 0.00 0.00 178.15 177.83 1umn h PHE 148 N 0.36 0.81 -0.43 1.37 -1.00 -1.30 -2.32 116.94 114.43 1umn h PHE 148 Ca 0.18 -0.14 -0.04 0.00 2.81 0.00 0.00 57.97 60.78 1umn h PHE 148 Cb 0.13 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 1umn h PHE 148 CO -0.13 0.81 0.11 -0.97 -1.61 0.00 0.00 178.31 176.53 1umn h ASN 149 N 0.68 0.65 -0.43 2.17 -0.00 -0.84 0.14 115.58 117.95 1umn h ASN 149 Ca 0.12 -0.23 -0.07 0.00 -0.00 0.00 0.00 56.30 56.12 1umn h ASN 149 Cb 0.57 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.70 1umn h ASN 149 CO 0.04 0.70 -0.01 0.58 -0.00 0.00 0.00 177.43 178.74 1umn h VAL 150 N 0.56 1.26 -0.56 2.57 2.07 -1.03 -2.02 116.25 119.09 1umn h VAL 150 Ca 0.14 -1.06 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1umn h VAL 150 Cb 0.31 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1umn h VAL 150 CO 0.00 0.36 -0.01 0.00 0.02 0.00 0.00 177.57 177.94 1umn h ALA 151 N 0.89 0.76 -0.68 1.67 0.00 -1.28 -2.60 119.26 118.02 1umn h ALA 151 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1umn h ALA 151 Cb 0.51 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1umn h ALA 151 CO 0.02 0.59 0.34 -0.22 0.00 0.00 0.00 179.25 179.99 1umn h LYS 152 N 0.88 0.97 -0.10 0.00 3.64 -0.65 -2.05 116.57 119.26 1umn h LYS 152 Ca 0.16 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1umn h LYS 152 Cb 0.55 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1umn h LYS 152 CO 0.03 0.76 -0.15 0.00 -2.27 0.00 0.00 179.45 177.82 1umn h ALA 153 N 1.16 -0.09 -0.50 5.00 0.00 -1.09 -0.74 119.26 123.00 1umn h ALA 153 Ca 0.23 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1umn h ALA 153 Cb 0.10 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1umn h ALA 153 CO -0.03 -0.61 -0.13 0.66 0.00 0.00 0.00 179.25 179.14 1umn h SER 154 N -0.19 0.95 -0.71 0.00 4.64 -1.35 -2.20 113.55 114.69 1umn h SER 154 Ca 0.08 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 61.04 1umn h SER 154 Cb 0.31 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1umn h SER 154 CO -0.21 1.08 0.24 0.40 -0.87 0.00 0.00 176.83 177.47 1umn h ILE 155 N 0.84 1.25 -0.18 0.95 1.08 -1.13 -1.69 117.51 118.63 1umn h ILE 155 Ca 0.13 -0.85 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1umn h ILE 155 Cb 0.67 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1umn h ILE 155 CO 0.05 0.34 -0.27 -0.33 -0.69 0.00 0.00 178.15 177.25 1umn h GLU 156 N 1.06 0.33 -0.64 2.37 5.08 -0.96 -0.92 114.58 120.89 1umn h GLU 156 Ca 0.24 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1umn h GLU 156 Cb 0.27 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1umn h GLU 156 CO -0.01 0.58 0.09 -0.22 -1.00 0.00 0.00 179.01 178.45 1umn h LYS 157 N 0.30 1.07 -0.44 2.33 3.64 -0.82 -2.02 116.57 120.63 1umn h LYS 157 Ca 0.04 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.04 1umn h LYS 157 Cb 0.63 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 1umn h LYS 157 CO 0.05 1.00 -0.08 0.45 -2.27 0.00 0.00 179.45 178.59 1umn h HIS 158 N 0.99 0.85 -0.71 1.91 3.86 -0.76 -2.54 115.15 118.76 1umn h HIS 158 Ca 0.19 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1umn h HIS 158 Cb 0.45 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1umn h HIS 158 CO 0.03 0.83 0.46 0.82 0.86 0.00 0.00 177.93 180.94 1umn h ILE 159 N 0.71 1.16 0.11 2.45 2.04 -0.73 0.21 117.51 123.46 1umn h ILE 159 Ca 0.13 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1umn h ILE 159 Cb 0.56 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1umn h ILE 159 CO 0.03 0.17 -0.19 -0.25 0.00 0.00 0.00 178.15 177.91 1umn h TRP 160 N 0.94 -0.50 -0.41 1.37 7.01 -1.02 0.35 115.95 123.68 1umn h TRP 160 Ca 0.26 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.27 1umn h TRP 160 Cb -0.08 0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 1umn h TRP 160 CO -0.03 -0.28 0.25 0.52 -2.79 0.00 0.00 178.44 176.11 1umn h MET 161 N -0.37 0.56 -0.41 2.65 2.86 -1.07 0.22 114.93 119.37 1umn h MET 161 Ca 0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1umn h MET 161 Cb 0.39 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1umn h MET 161 CO -0.11 0.41 0.25 -0.07 1.06 0.00 0.00 176.91 178.45 1umn h LEU 162 N 0.54 0.41 -0.64 1.22 3.38 -0.86 -0.91 115.31 118.46 1umn h LEU 162 Ca 0.15 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1umn h LEU 162 Cb -0.01 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1umn h LEU 162 CO -0.03 0.30 0.26 1.56 0.09 0.00 0.00 178.44 180.61 1umn h GLN 163 N 0.50 0.96 -0.72 1.13 1.08 -0.56 -2.07 115.11 115.44 1umn h GLN 163 Ca 0.16 -0.17 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1umn h GLN 163 Cb -0.01 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 1umn h GLN 163 CO -0.06 0.81 0.44 0.00 -0.95 0.00 0.00 178.83 179.07 1umn h ALA 164 N 1.11 0.95 -0.89 3.87 0.00 -0.14 0.19 119.26 124.35 1umn h ALA 164 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1umn h ALA 164 Cb 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1umn h ALA 164 CO -0.02 0.20 0.59 1.49 0.00 0.00 0.00 179.25 181.51 1umn h GLU 165 N 0.85 1.16 -0.20 0.00 4.57 -0.88 -0.18 114.58 119.89 1umn h GLU 165 Ca 0.30 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1umn h GLU 165 Cb 0.07 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.40 1umn h GLU 165 CO -0.13 0.77 0.00 1.28 -1.18 0.00 0.00 179.01 179.75 1umn n LEU 166 N -4.47 0.20 -1.00 1.64 4.77 -0.10 -4.85 117.00 113.19 1umn n LEU 166 Ca 0.10 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1umn n LEU 166 Cb 0.03 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1umn n LEU 166 CO 0.36 0.05 -0.12 0.61 -1.33 0.00 0.00 177.39 176.96 1umn n GLY 167 N 0.33 1.13 3.45 -0.72 0.00 -0.08 -5.01 105.19 104.30 1umn n GLY 167 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 1umn n GLY 167 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1umn s GLN 168 N -3.25 1.61 0.71 1.61 -0.21 0.48 -4.98 119.66 115.62 1umn s GLN 168 Ca 0.00 -1.81 -0.11 0.00 0.02 0.00 0.00 55.36 53.46 1umn s GLN 168 Cb 0.00 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.71 1umn s GLN 168 CO 0.00 0.08 1.07 0.00 -2.12 0.00 0.00 175.29 174.32 1umn s ALA 169 N -2.89 2.62 0.29 6.09 0.00 -1.26 -3.04 121.76 123.58 1umn s ALA 169 Ca 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1umn s ALA 169 Cb 0.03 -3.14 0.42 0.00 0.00 0.00 0.00 23.12 20.43 1umn s ALA 169 CO 0.13 -1.30 1.94 -1.35 0.00 0.00 0.00 175.76 175.18 1umn h PRO 170 N -0.77 1.06 -6.39 0.00 0.11 -1.88 -3.46 132.00 120.68 1umn h PRO 170 Ca -0.45 -0.09 -0.48 0.00 0.11 0.00 0.00 66.00 65.10 1umn h PRO 170 Cb 1.23 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 1umn h PRO 170 CO 0.58 0.74 -0.87 1.63 -0.21 0.00 0.00 178.00 179.87 1umn n LYS 171 N -4.38 -3.71 0.00 1.05 5.02 -1.26 -4.88 118.16 110.00 1umn n LYS 171 Ca 0.08 0.46 0.02 0.00 -2.02 0.00 0.00 58.31 56.85 1umn n LYS 171 Cb 0.06 -4.70 0.11 0.00 -0.02 0.00 0.00 35.03 30.49 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16