#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 -0.36 -0.37 -1.18 0.00 -2.00 -2.09 119.26 113.26 1umn h ALA 23 Ca 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1umn h ALA 23 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1umn h ALA 23 CO 0.00 -0.72 -0.02 -0.44 0.00 0.00 0.00 179.25 178.07 1umn h ASP 24 N -0.38 0.67 -0.36 0.00 3.32 -1.98 -1.35 116.42 116.34 1umn h ASP 24 Ca -0.02 -0.32 0.07 0.00 0.02 0.00 0.00 57.03 56.78 1umn h ASP 24 Cb 0.32 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1umn h ASP 24 CO 0.01 0.83 -0.02 0.28 -1.72 0.00 0.00 179.24 178.61 1umn h SER 25 N 0.49 -0.19 -0.87 6.45 0.02 -1.85 0.11 113.55 117.71 1umn h SER 25 Ca 0.10 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1umn h SER 25 Cb 0.50 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1umn h SER 25 CO 0.02 -0.06 0.52 0.11 -1.14 0.00 0.00 176.83 176.28 1umn h LYS 26 N 0.07 1.19 -0.49 3.45 1.57 -1.26 -1.11 116.57 119.99 1umn h LYS 26 Ca 0.17 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1umn h LYS 26 Cb 0.25 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1umn h LYS 26 CO -0.31 0.84 0.07 0.00 -0.57 0.00 0.00 179.45 179.48 1umn h ALA 27 N 1.36 0.65 0.00 3.86 0.00 0.07 -1.26 119.26 123.94 1umn h ALA 27 Ca 0.31 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1umn h ALA 27 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1umn h ALA 27 CO -0.06 0.39 -0.55 -0.24 0.00 0.00 0.00 179.25 178.79 1umn h VAL 28 N 0.68 1.18 -0.34 0.00 3.04 -0.63 -1.25 116.25 118.94 1umn h VAL 28 Ca 0.15 -2.04 -0.05 0.00 -1.01 0.00 0.00 66.70 63.75 1umn h VAL 28 Cb 0.41 2.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 1umn h VAL 28 CO 0.01 0.54 0.03 -0.07 -1.01 0.00 0.00 177.57 177.07 1umn h LEU 29 N 0.00 0.57 -0.86 3.16 3.38 -0.94 -1.32 115.31 119.29 1umn h LEU 29 Ca -0.01 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1umn h LEU 29 Cb 1.13 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1umn h LEU 29 CO 0.07 0.71 -0.16 -1.13 0.09 0.00 0.00 178.44 178.02 1umn h ASN 30 N 0.41 0.66 -0.61 -0.43 -1.24 -1.09 -1.51 115.58 111.77 1umn h ASN 30 Ca 0.10 -0.21 0.03 0.00 0.71 0.00 0.00 56.30 56.94 1umn h ASN 30 Cb 0.41 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.24 1umn h ASN 30 CO 0.01 0.83 0.36 -0.61 -1.29 0.00 0.00 177.43 176.74 1umn h GLN 31 N 0.59 0.68 -0.58 6.67 5.75 -0.97 -1.02 115.11 126.24 1umn h GLN 31 Ca 0.10 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1umn h GLN 31 Cb 0.62 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1umn h GLN 31 CO 0.04 0.45 0.23 0.00 -2.65 0.00 0.00 178.83 176.90 1umn h ALA 32 N 1.28 1.31 -0.58 3.38 0.00 -0.64 0.61 119.26 124.61 1umn h ALA 32 Ca 0.25 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1umn h ALA 32 Cb 0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1umn h ALA 32 CO -0.12 0.51 0.36 0.28 0.00 0.00 0.00 179.25 180.28 1umn h VAL 33 N 0.83 1.07 0.05 0.00 2.07 -0.21 0.51 116.25 120.57 1umn h VAL 33 Ca 0.20 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1umn h VAL 33 Cb 0.17 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1umn h VAL 33 CO -0.02 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.68 1umn h ALA 34 N 1.26 -0.07 -0.62 1.67 0.00 -0.69 -2.27 119.26 118.54 1umn h ALA 34 Ca 0.24 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1umn h ALA 34 Cb 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1umn h ALA 34 CO -0.10 -0.37 0.08 -0.44 0.00 0.00 0.00 179.25 178.42 1umn h ASP 35 N -0.39 0.98 -0.02 0.00 3.32 -0.62 -2.08 116.42 117.60 1umn h ASP 35 Ca -0.01 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.73 1umn h ASP 35 Cb 0.36 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1umn h ASP 35 CO 0.01 0.98 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.24 1umn h LEU 36 N 0.95 0.38 -0.51 1.55 3.38 -0.01 0.14 115.31 121.20 1umn h LEU 36 Ca 0.19 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1umn h LEU 36 Cb 0.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1umn h LEU 36 CO 0.01 0.60 -0.40 0.28 0.09 0.00 0.00 178.44 179.02 1umn h SER 37 N 0.35 0.83 -0.03 -0.43 0.02 -0.96 -1.44 113.55 111.89 1umn h SER 37 Ca 0.06 -0.38 -0.21 0.00 -0.84 0.00 0.00 61.79 60.42 1umn h SER 37 Cb 0.56 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.88 1umn h SER 37 CO 0.04 1.13 -0.79 0.58 -1.14 0.00 0.00 176.83 176.64 1umn h VAL 38 N 0.64 1.34 -0.84 2.27 2.07 -1.14 -2.86 116.25 117.72 1umn h VAL 38 Ca 0.05 -2.10 0.09 0.00 0.82 0.00 0.00 66.70 65.56 1umn h VAL 38 Cb 0.95 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 1umn h VAL 38 CO 0.09 0.64 0.55 0.00 0.02 0.00 0.00 177.57 178.86 1umn h ALA 39 N 0.40 1.69 -0.55 1.67 0.00 -0.66 -0.19 119.26 121.63 1umn h ALA 39 Ca -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1umn h ALA 39 Cb 1.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1umn h ALA 39 CO 0.16 0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.83 1umn h HIS 40 N 0.81 1.02 -0.55 0.00 6.17 -1.24 -0.17 115.15 121.19 1umn h HIS 40 Ca 0.39 -0.16 -0.03 0.00 0.71 0.00 0.00 60.37 61.27 1umn h HIS 40 Cb 0.41 -0.27 -0.02 0.00 2.52 0.00 0.00 27.41 30.05 1umn h HIS 40 CO -0.00 0.92 0.23 1.03 0.71 0.00 0.00 177.93 180.82 1umn h SER 41 N 0.82 0.74 -0.39 3.26 0.87 -0.97 -0.75 113.55 117.14 1umn h SER 41 Ca 0.16 -0.16 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1umn h SER 41 Cb 0.49 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 1umn h SER 41 CO 0.02 0.70 0.09 0.40 -0.53 0.00 0.00 176.83 177.50 1umn h ILE 42 N 0.75 1.23 -0.98 2.23 2.04 -0.86 -1.11 117.51 120.81 1umn h ILE 42 Ca 0.19 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1umn h ILE 42 Cb 0.17 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1umn h ILE 42 CO -0.02 0.28 0.65 -0.07 0.00 0.00 0.00 178.15 178.99 1umn h LEU 43 N 0.49 1.11 -0.87 1.44 3.38 -0.82 -1.13 115.31 118.92 1umn h LEU 43 Ca 0.12 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1umn h LEU 43 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1umn h LEU 43 CO 0.00 0.80 0.16 -0.74 0.09 0.00 0.00 178.44 178.75 1umn h HIS 44 N 1.31 1.03 0.04 1.13 2.76 -0.79 -0.49 115.15 120.14 1umn h HIS 44 Ca 0.37 -0.11 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1umn h HIS 44 Cb -0.12 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.54 1umn h HIS 44 CO -0.00 0.85 -0.02 0.37 -1.30 0.00 0.00 177.93 177.82 1umn h GLN 45 N 0.95 -0.06 -0.84 5.26 4.15 -0.27 -0.15 115.11 124.15 1umn h GLN 45 Ca 0.20 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.68 1umn h GLN 45 Cb 0.33 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 1umn h GLN 45 CO -0.00 0.00 0.52 0.28 -1.93 0.00 0.00 178.83 177.70 1umn h VAL 46 N -0.10 1.06 -0.11 2.39 2.07 -0.96 0.35 116.25 120.96 1umn h VAL 46 Ca -0.01 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1umn h VAL 46 Cb 0.08 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.84 1umn h VAL 46 CO 0.01 0.18 -0.06 -0.74 0.02 0.00 0.00 177.57 176.98 1umn h HIS 47 N 0.97 -0.14 -0.12 1.57 -0.00 -0.62 -2.14 115.15 114.66 1umn h HIS 47 Ca 0.36 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.63 1umn h HIS 47 Cb 0.12 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1umn h HIS 47 CO -0.03 -0.10 -0.34 -1.49 -0.00 0.00 0.00 177.93 175.97 1umn h TRP 48 N -0.06 0.58 -0.01 5.26 6.55 -0.47 -3.34 115.95 124.46 1umn h TRP 48 Ca 0.06 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.68 1umn h TRP 48 Cb 0.15 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 1umn h TRP 48 CO -0.18 0.96 -0.17 0.66 -1.05 0.00 0.00 178.44 178.65 1umn n TYR 49 N -4.37 0.00 -1.71 0.49 4.02 0.06 -4.96 117.16 110.70 1umn n TYR 49 Ca -0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.39 1umn n TYR 49 Cb 0.50 -0.17 -0.01 0.00 -0.02 0.00 0.00 39.34 39.65 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 -0.86 2.27 -3.67 -0.72 1.56 -0.81 -4.33 117.12 110.57 1umn n MET 50 Ca 0.13 0.80 -0.11 0.00 -0.27 0.00 0.00 57.70 58.25 1umn n MET 50 Cb 0.31 -2.45 -0.09 0.00 2.15 0.00 0.00 33.22 33.15 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 -1.45 0.63 0.00 2.12 0.52 -1.26 -5.05 118.95 114.46 1umn s ARG 51 Ca 0.59 0.90 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1umn s ARG 51 Cb -0.56 0.22 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1umn s ARG 51 CO 0.58 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 176.20 1umn n GLY 52 N 3.42 2.40 3.68 -3.53 0.00 -1.26 -3.79 105.19 106.11 1umn n GLY 52 Ca -0.17 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.73 4.22 0.00 1.61 1.81 -1.26 -2.02 118.95 121.57 1umn s ARG 53 Ca 0.00 2.21 0.00 0.00 -1.72 0.00 0.00 55.73 56.22 1umn s ARG 53 Cb 0.00 -3.66 0.00 0.00 -0.45 0.00 0.00 34.95 30.84 1umn s ARG 53 CO 0.00 -0.71 0.00 0.41 -0.68 0.00 0.00 175.30 174.32 1umn n GLY 54 N 3.92 1.32 0.28 -3.53 0.00 -1.26 -4.94 105.19 100.99 1umn n GLY 54 Ca 0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.65 -0.35 1.61 3.57 -1.79 0.36 116.94 119.70 1umn h PHE 55 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1umn h PHE 55 Cb 0.00 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1umn h PHE 55 CO 0.00 -0.32 0.27 1.98 -2.23 0.00 0.00 178.31 178.01 1umn h MET 56 N -0.21 0.00 0.04 1.11 4.05 -1.95 0.18 114.93 118.15 1umn h MET 56 Ca 0.16 0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.31 1umn h MET 56 Cb 0.47 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1umn h MET 56 CO -0.45 0.00 -1.47 0.97 0.23 0.00 0.00 176.91 176.20 1umn h ILE 57 N 0.00 0.84 0.00 1.77 6.09 -1.78 -3.40 117.51 121.03 1umn h ILE 57 Ca 0.17 -2.23 -0.14 0.00 -1.37 0.00 0.00 64.86 61.29 1umn h ILE 57 Cb 0.70 2.31 -0.02 0.00 0.47 0.00 0.00 36.82 40.28 1umn h ILE 57 CO -0.00 0.48 -0.66 -0.50 -3.07 0.00 0.00 178.15 174.40 1umn h TRP 58 N -0.69 0.00 0.39 2.19 4.06 -0.67 -2.92 115.95 118.31 1umn h TRP 58 Ca -0.37 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.57 1umn h TRP 58 Cb 1.52 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.67 1umn h TRP 58 CO 0.09 0.66 -0.24 1.25 -3.56 0.00 0.00 178.44 176.64 1umn h HIS 59 N 0.00 -0.64 -0.18 0.49 2.76 -0.86 -1.14 115.15 115.58 1umn h HIS 59 Ca -0.01 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 1umn h HIS 59 Cb 1.39 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 30.57 1umn h HIS 59 CO 0.00 -0.38 -0.14 -1.35 -1.30 0.00 0.00 177.93 174.76 1umn h PRO 60 N -0.61 0.30 -0.72 5.26 0.11 -1.77 -2.56 132.00 132.02 1umn h PRO 60 Ca -0.04 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 1umn h PRO 60 Cb 0.50 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.54 1umn h PRO 60 CO 0.04 0.44 0.43 -0.22 -0.21 0.00 0.00 178.00 178.48 1umn h LYS 61 N 0.28 0.97 -0.04 1.05 1.63 -1.25 -1.02 116.57 118.19 1umn h LYS 61 Ca 0.05 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1umn h LYS 61 Cb 0.42 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1umn h LYS 61 CO 0.03 0.68 -0.12 0.52 -3.45 0.00 0.00 179.45 177.10 1umn h MET 62 N 0.98 0.06 -0.20 1.90 2.86 -0.78 -0.17 114.93 119.58 1umn h MET 62 Ca 0.26 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.75 1umn h MET 62 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1umn h MET 62 CO -0.05 0.19 -0.46 0.22 1.06 0.00 0.00 176.91 177.87 1umn h ASP 63 N 0.06 0.54 -0.43 1.22 3.58 -1.19 -0.18 116.42 120.01 1umn h ASP 63 Ca 0.01 -0.26 -0.06 0.00 0.42 0.00 0.00 57.03 57.14 1umn h ASP 63 Cb 0.25 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1umn h ASP 63 CO 0.02 0.93 0.03 -0.33 -2.88 0.00 0.00 179.24 177.00 1umn h GLU 64 N 0.40 0.74 -0.69 0.28 5.08 -0.72 -2.04 114.58 117.64 1umn h GLU 64 Ca 0.03 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 1umn h GLU 64 Cb 0.97 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1umn h GLU 64 CO 0.09 0.79 0.31 1.88 -1.00 0.00 0.00 179.01 181.08 1umn h TYR 65 N 0.59 1.02 -0.86 4.33 0.99 -0.85 -1.86 116.97 120.33 1umn h TYR 65 Ca 0.13 -0.06 -0.01 0.00 2.00 0.00 0.00 58.73 60.78 1umn h TYR 65 Cb 0.44 -0.31 -0.04 0.00 1.00 0.00 0.00 36.73 37.82 1umn h TYR 65 CO 0.03 0.77 0.50 0.52 -0.00 0.00 0.00 178.16 179.98 1umn h MET 66 N 0.97 1.18 -0.69 4.88 2.86 -0.81 -0.78 114.93 122.54 1umn h MET 66 Ca 0.23 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1umn h MET 66 Cb 0.16 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1umn h MET 66 CO -0.03 0.84 0.14 0.93 1.06 0.00 0.00 176.91 179.85 1umn h GLU 67 N 1.19 1.12 -0.50 1.72 4.39 -0.89 0.91 114.58 122.52 1umn h GLU 67 Ca 0.31 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 1umn h GLU 67 Cb -0.02 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1umn h GLU 67 CO -0.05 1.01 0.06 1.49 -1.16 0.00 0.00 179.01 180.35 1umn h GLU 68 N 1.05 0.85 -0.47 2.33 4.81 -0.76 -0.06 114.58 122.33 1umn h GLU 68 Ca 0.21 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1umn h GLU 68 Cb 0.41 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1umn h GLU 68 CO 0.01 0.85 0.28 0.82 -0.73 0.00 0.00 179.01 180.24 1umn h ILE 69 N 0.72 1.15 -0.81 2.32 1.08 -0.91 -0.86 117.51 120.20 1umn h ILE 69 Ca 0.15 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 1umn h ILE 69 Cb 0.43 0.54 -0.07 0.00 -3.07 0.00 0.00 36.82 34.66 1umn h ILE 69 CO 0.01 0.15 0.48 0.44 -0.69 0.00 0.00 178.15 178.55 1umn h ASP 70 N 0.62 0.72 -0.43 1.72 3.45 -0.45 -0.55 116.42 121.50 1umn h ASP 70 Ca 0.17 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.64 1umn h ASP 70 Cb 0.01 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1umn h ASP 70 CO -0.03 0.44 0.19 1.23 -1.57 0.00 0.00 179.24 179.50 1umn h GLY 71 N 0.85 0.68 1.35 2.75 0.00 -0.28 -0.54 103.07 107.87 1umn h GLY 71 Ca 0.37 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1umn h GLY 71 CO -0.21 0.34 0.20 -0.97 0.00 0.00 0.00 176.54 175.90 1umn h TYR 72 N 0.56 0.84 -0.75 5.60 0.05 -0.50 -1.49 116.97 121.28 1umn h TYR 72 Ca 0.15 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.84 1umn h TYR 72 Cb 0.16 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1umn h TYR 72 CO -0.00 0.67 0.34 1.25 -1.05 0.00 0.00 178.16 179.37 1umn h LEU 73 N 0.82 0.98 0.18 3.88 5.85 -0.62 -0.62 115.31 125.78 1umn h LEU 73 Ca 0.19 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1umn h LEU 73 Cb 0.20 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1umn h LEU 73 CO -0.01 0.84 -0.08 0.44 -0.34 0.00 0.00 178.44 179.28 1umn h ASP 74 N 1.07 -0.20 -0.29 1.25 3.32 -0.31 -1.27 116.42 119.98 1umn h ASP 74 Ca 0.26 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 57.21 1umn h ASP 74 Cb 0.13 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1umn h ASP 74 CO -0.03 -0.01 0.15 -0.33 -1.72 0.00 0.00 179.24 177.30 1umn h GLU 75 N -0.39 0.30 -0.17 3.56 4.39 -1.04 -1.83 114.58 119.40 1umn h GLU 75 Ca -0.02 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 1umn h GLU 75 Cb 0.30 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1umn h GLU 75 CO 0.04 0.20 -0.49 0.52 -1.16 0.00 0.00 179.01 178.12 1umn h MET 76 N 0.31 0.64 -0.40 2.33 2.86 -1.14 -1.84 114.93 117.69 1umn h MET 76 Ca 0.12 -0.45 -0.06 0.00 -2.06 0.00 0.00 59.70 57.25 1umn h MET 76 Cb 0.03 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1umn h MET 76 CO -0.08 1.07 0.03 0.66 1.06 0.00 0.00 176.91 179.66 1umn h SER 77 N 0.31 0.67 -0.66 1.22 4.64 -1.25 -1.21 113.55 117.28 1umn h SER 77 Ca -0.01 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 1umn h SER 77 Cb 1.11 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1umn h SER 77 CO 0.11 0.79 0.33 -0.33 -0.87 0.00 0.00 176.83 176.85 1umn h GLU 78 N 0.53 0.95 -0.80 4.77 5.08 -1.37 -0.77 114.58 122.97 1umn h GLU 78 Ca 0.12 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1umn h GLU 78 Cb 0.42 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 1umn h GLU 78 CO 0.01 0.75 0.35 -0.09 -1.00 0.00 0.00 179.01 179.03 1umn h ARG 79 N 0.92 1.17 -0.45 2.33 9.65 -1.18 0.97 114.38 127.79 1umn h ARG 79 Ca 0.23 -0.19 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 1umn h ARG 79 Cb 0.11 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1umn h ARG 79 CO -0.03 0.93 0.25 1.25 2.80 0.00 0.00 179.97 185.17 1umn h LEU 80 N 1.15 0.56 -0.74 3.80 5.85 -0.70 -0.10 115.31 125.13 1umn h LEU 80 Ca 0.27 -0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1umn h LEU 80 Cb 0.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1umn h LEU 80 CO -0.03 0.48 0.31 0.40 -0.34 0.00 0.00 178.44 179.26 1umn h ILE 81 N 0.59 1.25 -0.23 4.05 2.04 -0.82 0.77 117.51 125.16 1umn h ILE 81 Ca 0.16 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1umn h ILE 81 Cb 0.04 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1umn h ILE 81 CO -0.03 0.31 0.01 0.74 0.00 0.00 0.00 178.15 179.18 1umn h THR 82 N 1.06 1.14 -0.01 -0.27 2.02 -0.18 -1.41 112.91 115.27 1umn h THR 82 Ca 0.25 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1umn h THR 82 Cb 0.19 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1umn h THR 82 CO -0.02 0.18 0.00 0.18 0.37 0.00 0.00 175.52 176.23 1umn n LEU 83 N -4.36 0.32 0.00 2.58 4.77 -0.11 -4.88 117.00 115.32 1umn n LEU 83 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1umn n LEU 83 Cb 0.19 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1umn n LEU 83 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1umn n GLY 84 N 1.02 0.83 3.96 -0.72 0.00 -0.53 -5.03 105.19 104.72 1umn n GLY 84 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 1umn n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1umn s GLY 85 N -1.85 1.78 -0.25 -0.02 0.00 0.22 -5.00 107.32 102.20 1umn s GLY 85 Ca 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 1umn s GLY 85 CO 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 173.10 172.35 1umn s ALA 86 N -3.60 1.57 0.37 3.20 0.00 -1.26 -4.40 121.76 117.64 1umn s ALA 86 Ca 0.72 -1.32 -0.26 0.00 0.00 0.00 0.00 51.96 51.10 1umn s ALA 86 Cb -0.04 -1.45 -0.09 0.00 0.00 0.00 0.00 23.12 21.55 1umn s ALA 86 CO 0.50 -1.37 1.15 -1.25 0.00 0.00 0.00 175.76 174.78 1umn s PRO 87 N 1.59 4.20 0.36 0.00 0.04 -1.26 -4.96 135.00 134.96 1umn s PRO 87 Ca 0.02 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.60 1umn s PRO 87 Cb -0.18 -2.78 -0.12 0.00 0.04 0.00 0.00 34.50 31.47 1umn s PRO 87 CO -0.13 -0.19 1.28 1.19 0.04 0.00 0.00 177.00 179.18 1umn n PHE 88 N 0.31 2.22 -2.61 0.56 0.99 -1.26 -4.90 117.46 112.77 1umn n PHE 88 Ca 0.03 0.54 -0.01 0.00 -0.00 0.00 0.00 57.45 58.01 1umn n PHE 88 Cb 0.46 -2.40 0.06 0.00 -1.00 0.00 0.00 39.48 36.60 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 0.65 -0.20 -3.90 4.37 3.41 -1.26 -4.95 113.62 111.73 1umn n SER 89 Ca 0.05 -2.10 -0.10 0.00 -0.26 0.00 0.00 58.87 56.45 1umn n SER 89 Cb 0.37 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.12 0.10 0.34 6.66 -4.23 -1.26 -5.05 115.64 111.07 1umn s THR 90 Ca 0.16 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.89 1umn s THR 90 Cb 0.34 -0.47 0.22 0.00 1.34 0.00 0.00 72.50 73.93 1umn s THR 90 CO -0.09 -0.44 1.95 -0.07 -0.54 0.00 0.00 174.62 175.43 1umn h LEU 91 N 4.25 0.67 0.08 4.79 3.38 -1.99 -1.70 115.31 124.79 1umn h LEU 91 Ca -0.31 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1umn h LEU 91 Cb 1.20 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1umn h LEU 91 CO 0.42 0.57 -0.07 0.50 0.09 0.00 0.00 178.44 179.95 1umn h LYS 92 N 0.75 -0.16 -0.72 1.13 3.64 -1.99 -0.91 116.57 118.30 1umn h LYS 92 Ca 0.19 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1umn h LYS 92 Cb 0.08 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1umn h LYS 92 CO -0.03 -0.11 0.47 0.93 -2.27 0.00 0.00 179.45 178.44 1umn h GLU 93 N -0.17 0.92 0.31 1.90 5.08 -1.87 -1.41 114.58 119.33 1umn h GLU 93 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1umn h GLU 93 Cb 0.16 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1umn h GLU 93 CO -0.02 0.61 -0.18 0.74 -1.00 0.00 0.00 179.01 179.16 1umn h PHE 94 N 0.94 -0.47 -0.28 4.33 0.05 -1.01 -1.62 116.94 118.89 1umn h PHE 94 Ca 0.27 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.06 1umn h PHE 94 Cb -0.07 0.16 -0.02 0.00 2.00 0.00 0.00 35.95 38.02 1umn h PHE 94 CO -0.03 -0.28 0.17 0.77 -0.18 0.00 0.00 178.31 178.76 1umn h SER 95 N -0.47 0.28 0.42 2.17 0.02 -1.03 -0.91 113.55 114.04 1umn h SER 95 Ca -0.03 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.82 1umn h SER 95 Cb 0.38 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1umn h SER 95 CO 0.04 0.21 -0.45 -0.33 -1.14 0.00 0.00 176.83 175.16 1umn h GLU 96 N 0.35 0.04 0.00 3.45 5.08 -1.22 -3.23 114.58 119.05 1umn h GLU 96 Ca 0.11 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1umn h GLU 96 Cb -0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1umn h GLU 96 CO -0.05 0.48 -1.38 0.09 -1.00 0.00 0.00 179.01 177.16 1umn n ASN 97 N -4.00 0.71 -4.77 1.42 3.02 -0.61 -4.92 115.26 106.11 1umn n ASN 97 Ca -0.02 0.29 -0.38 0.00 -0.03 0.00 0.00 54.58 54.45 1umn n ASN 97 Cb 0.48 0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 40.16 1umn n ASN 97 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1umn s SER 98 N -5.45 6.45 0.00 6.41 0.15 -0.36 -4.88 113.70 116.03 1umn s SER 98 Ca -0.03 2.34 0.27 0.00 0.70 0.00 0.00 55.95 59.22 1umn s SER 98 Cb 0.09 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.56 1umn s SER 98 CO 0.82 -0.72 1.58 0.00 1.20 0.00 0.00 173.24 176.11 1umn n GLN 99 N -0.04 1.61 -3.25 5.44 1.13 -1.26 -4.88 117.38 116.12 1umn n GLN 99 Ca 0.05 -1.06 -0.37 0.00 -1.94 0.00 0.00 57.00 53.68 1umn n GLN 99 Cb 0.47 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 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 -2.13 4.40 -0.07 1.08 1.43 -1.26 -5.08 118.68 117.06 1umn s LEU 100 Ca 0.32 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.68 1umn s LEU 100 Cb 0.20 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1umn s LEU 100 CO 0.38 0.14 -0.12 -1.59 0.23 0.00 0.00 176.35 175.39 1umn s LYS 101 N -1.69 2.78 0.17 1.70 0.00 -1.26 -5.07 119.74 116.38 1umn s LYS 101 Ca 0.36 -0.65 0.06 0.00 0.00 0.00 0.00 55.97 55.75 1umn s LYS 101 Cb -0.17 -2.50 -0.04 0.00 0.00 0.00 0.00 37.83 35.12 1umn s LYS 101 CO 0.20 0.54 0.07 -1.21 0.00 0.00 0.00 175.35 174.96 1umn s GLU 102 N -0.51 2.67 0.11 1.78 2.02 -1.26 -5.10 118.70 118.41 1umn s GLU 102 Ca 0.07 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.09 1umn s GLU 102 Cb -0.12 -2.51 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1umn s GLU 102 CO 0.02 0.47 -0.06 0.14 0.02 0.00 0.00 175.26 175.85 1umn s VAL 103 N -1.76 0.72 0.44 2.63 -7.23 -1.26 -5.13 120.40 108.82 1umn s VAL 103 Ca 0.29 -1.95 -0.25 0.00 -1.81 0.00 0.00 61.98 58.26 1umn s VAL 103 Cb -0.10 -1.74 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 1umn s VAL 103 CO 0.21 -0.82 1.34 0.18 -0.31 0.00 0.00 175.10 175.71 1umn n LEU 104 N -0.08 4.56 -4.73 1.32 7.99 -1.26 -4.93 117.00 119.88 1umn n LEU 104 Ca -0.11 1.11 -0.36 0.00 -0.01 0.00 0.00 56.01 56.63 1umn n LEU 104 Cb 0.61 -1.55 0.07 0.00 -0.11 0.00 0.00 43.42 42.45 1umn n LEU 104 CO 0.31 -0.44 0.88 -0.83 -1.51 0.00 0.00 177.39 175.79 1umn s GLY 105 N -0.53 2.74 -0.23 -0.72 0.00 -1.26 -5.02 107.32 102.30 1umn s GLY 105 Ca 0.62 1.14 -0.05 0.00 0.00 0.00 0.00 44.72 46.42 1umn s GLY 105 CO 0.57 1.56 0.45 -0.35 0.00 0.00 0.00 173.10 175.34 1umn s ASP 106 N -1.53 -0.34 0.09 1.64 2.15 -1.26 -5.02 116.67 112.39 1umn s ASP 106 Ca 0.81 0.83 0.15 0.00 0.43 0.00 0.00 52.55 54.77 1umn s ASP 106 Cb -0.35 1.49 0.65 0.00 -0.30 0.00 0.00 42.92 44.40 1umn s ASP 106 CO 0.41 -0.25 1.47 -1.22 -0.17 0.00 0.00 175.17 175.40 1umn n TYR 107 N 5.39 0.25 1.19 -5.34 4.02 -1.26 -2.93 117.16 118.49 1umn n TYR 107 Ca -0.07 0.10 0.13 0.00 -0.01 0.00 0.00 57.90 58.06 1umn n TYR 107 Cb 0.50 -0.67 0.49 0.00 -0.02 0.00 0.00 39.34 39.64 1umn n TYR 107 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1umn n ASN 108 N -1.73 0.44 -4.76 7.72 4.05 -1.26 -4.62 115.26 115.10 1umn n ASN 108 Ca 0.02 -0.29 -0.41 0.00 0.45 0.00 0.00 54.58 54.35 1umn n ASN 108 Cb 0.15 -0.06 -0.02 0.00 1.23 0.00 0.00 39.78 41.08 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1umn s VAL 109 N -2.73 2.81 0.80 3.44 1.01 -1.15 -4.97 120.40 119.61 1umn s VAL 109 Ca 0.20 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.82 1umn s VAL 109 Cb 0.19 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1umn s VAL 109 CO 0.55 0.15 1.09 0.42 0.00 0.00 0.00 175.10 177.32 1umn s THR 110 N -0.61 3.09 0.16 3.92 -4.23 -1.26 -4.63 115.64 112.08 1umn s THR 110 Ca 0.53 0.35 -0.15 0.00 -1.18 0.00 0.00 61.69 61.24 1umn s THR 110 Cb -0.39 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.41 1umn s THR 110 CO 0.47 -0.46 1.78 0.40 -0.54 0.00 0.00 174.62 176.28 1umn h ILE 111 N -1.10 0.98 0.00 2.99 1.08 -1.92 -1.29 117.51 118.24 1umn h ILE 111 Ca -0.47 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 63.80 1umn h ILE 111 Cb 1.27 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1umn h ILE 111 CO 0.59 0.08 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.55 1umn h GLU 112 N 0.44 0.00 -0.08 2.37 5.08 -1.93 -1.24 114.58 119.22 1umn h GLU 112 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1umn h GLU 112 Cb 0.08 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1umn h GLU 112 CO -0.12 0.24 -0.87 0.93 -1.00 0.00 0.00 179.01 178.19 1umn h GLU 113 N 0.00 0.66 -0.03 2.33 5.08 -1.81 -1.97 114.58 118.85 1umn h GLU 113 Ca -0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1umn h GLU 113 Cb 0.52 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1umn h GLU 113 CO 0.03 1.22 -0.01 1.96 -1.00 0.00 0.00 179.01 181.21 1umn h GLN 114 N 0.42 -0.00 -0.60 2.33 1.08 -0.60 0.22 115.11 117.96 1umn h GLN 114 Ca -0.08 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.09 1umn h GLN 114 Cb 1.50 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.90 1umn h GLN 114 CO 0.17 -0.00 0.22 -0.07 -0.95 0.00 0.00 178.83 178.20 1umn h LEU 115 N -0.00 0.80 -0.97 1.46 3.38 -1.27 -0.92 115.31 117.79 1umn h LEU 115 Ca 0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1umn h LEU 115 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1umn h LEU 115 CO -0.03 0.74 0.13 0.00 0.09 0.00 0.00 178.44 179.37 1umn h ALA 116 N 1.38 1.17 -0.71 1.53 0.00 -0.90 -0.41 119.26 121.32 1umn h ALA 116 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1umn h ALA 116 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1umn h ALA 116 CO -0.01 0.57 0.32 -0.09 0.00 0.00 0.00 179.25 180.03 1umn h ARG 117 N 0.85 1.04 -0.61 0.00 9.65 0.24 -1.71 114.38 123.83 1umn h ARG 117 Ca 0.18 -0.17 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1umn h ARG 117 Cb 0.31 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1umn h ARG 117 CO -0.00 0.84 0.06 0.28 2.80 0.00 0.00 179.97 183.94 1umn h VAL 118 N 1.00 1.26 -0.65 0.20 2.07 -0.54 -2.13 116.25 117.46 1umn h VAL 118 Ca 0.24 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 1umn h VAL 118 Cb 0.16 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1umn h VAL 118 CO -0.03 0.39 0.40 0.58 0.02 0.00 0.00 177.57 178.93 1umn h VAL 119 N 0.95 1.19 -0.79 2.57 2.07 -0.68 -0.80 116.25 120.75 1umn h VAL 119 Ca 0.18 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1umn h VAL 119 Cb 0.47 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1umn h VAL 119 CO 0.02 0.19 0.32 -0.33 0.02 0.00 0.00 177.57 177.79 1umn h GLU 120 N 0.88 1.17 -0.52 1.57 4.39 -1.03 0.15 114.58 121.19 1umn h GLU 120 Ca 0.23 -0.21 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1umn h GLU 120 Cb -0.04 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1umn h GLU 120 CO -0.04 0.95 0.20 0.28 -1.16 0.00 0.00 179.01 179.23 1umn h VAL 121 N 1.14 1.22 -0.39 3.13 2.07 -0.99 -1.92 116.25 120.52 1umn h VAL 121 Ca 0.26 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1umn h VAL 121 Cb 0.20 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1umn h VAL 121 CO -0.02 0.26 -0.16 -0.26 0.02 0.00 0.00 177.57 177.41 1umn h PHE 122 N 0.71 0.79 -0.49 1.57 -1.00 -0.66 -1.39 116.94 116.46 1umn h PHE 122 Ca 0.17 -0.15 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 1umn h PHE 122 Cb 0.21 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1umn h PHE 122 CO 0.01 0.82 -0.03 0.00 -1.61 0.00 0.00 178.31 177.50 1umn h ARG 123 N 0.64 0.84 -0.05 1.51 3.08 -0.54 -0.46 114.38 119.40 1umn h ARG 123 Ca 0.10 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1umn h ARG 123 Cb 0.63 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1umn h ARG 123 CO 0.04 0.86 0.02 -0.92 -1.07 0.00 0.00 179.97 178.91 1umn h TYR 124 N 0.78 0.07 -0.80 3.04 3.20 -0.92 -1.81 116.97 120.53 1umn h TYR 124 Ca 0.14 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 1umn h TYR 124 Cb 0.51 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 1umn h TYR 124 CO 0.03 0.20 0.49 -0.07 -1.64 0.00 0.00 178.16 177.17 1umn h LEU 125 N -0.07 0.96 -1.18 2.82 3.38 -1.04 0.29 115.31 120.47 1umn h LEU 125 Ca 0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1umn h LEU 125 Cb 0.16 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1umn h LEU 125 CO -0.00 0.73 0.50 0.00 0.09 0.00 0.00 178.44 179.76 1umn h ALA 126 N 1.26 1.39 -0.31 1.53 0.00 -0.97 0.27 119.26 122.43 1umn h ALA 126 Ca 0.29 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1umn h ALA 126 Cb -0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1umn h ALA 126 CO -0.06 0.54 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 1umn h ALA 127 N 1.47 0.43 -0.86 0.00 0.00 -0.48 -1.41 119.26 118.41 1umn h ALA 127 Ca 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1umn h ALA 127 Cb -0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1umn h ALA 127 CO -0.06 0.28 0.46 1.25 0.00 0.00 0.00 179.25 181.19 1umn h LEU 128 N 0.38 1.08 -0.98 0.00 5.85 -0.22 -1.03 115.31 120.40 1umn h LEU 128 Ca 0.08 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 1umn h LEU 128 Cb 0.60 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1umn h LEU 128 CO 0.04 0.88 -0.36 -0.26 -0.34 0.00 0.00 178.44 178.39 1umn h PHE 129 N 1.21 0.34 -0.39 1.25 0.05 -0.29 0.94 116.94 120.04 1umn h PHE 129 Ca 0.30 -0.08 -0.11 0.00 3.82 0.00 0.00 57.97 61.90 1umn h PHE 129 Cb 0.04 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1umn h PHE 129 CO 0.01 0.62 -0.17 0.37 -0.18 0.00 0.00 178.31 178.96 1umn h GLN 130 N 0.25 0.80 -0.57 1.51 5.75 -0.62 0.66 115.11 122.89 1umn h GLN 130 Ca 0.03 -0.34 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1umn h GLN 130 Cb 0.75 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 1umn h GLN 130 CO 0.06 0.97 0.27 0.87 -2.65 0.00 0.00 178.83 178.34 1umn h LYS 131 N 0.60 0.82 -0.82 1.69 1.57 -0.77 -0.27 116.57 119.39 1umn h LYS 131 Ca 0.09 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1umn h LYS 131 Cb 0.72 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1umn h LYS 131 CO 0.05 0.68 0.47 0.78 -0.57 0.00 0.00 179.45 180.86 1umn h GLY 132 N 0.77 1.19 0.89 3.86 0.00 -0.53 0.35 103.07 109.60 1umn h GLY 132 Ca 0.19 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1umn h GLY 132 CO -0.02 0.49 0.01 -2.75 0.00 0.00 0.00 176.54 174.26 1umn h PHE 133 N 1.13 0.02 -0.12 5.60 3.57 -0.37 -1.40 116.94 125.37 1umn h PHE 133 Ca 0.29 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1umn h PHE 133 Cb -0.02 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1umn h PHE 133 CO 0.01 0.12 0.05 -0.44 -2.23 0.00 0.00 178.31 175.82 1umn h ASP 134 N -0.10 0.08 0.11 0.41 3.32 -0.56 -0.06 116.42 119.62 1umn h ASP 134 Ca 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1umn h ASP 134 Cb 0.11 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1umn h ASP 134 CO -0.00 0.06 -0.05 0.58 -1.72 0.00 0.00 179.24 178.11 1umn h VAL 135 N 0.12 0.90 -0.75 -1.35 2.07 -0.92 -1.58 116.25 114.74 1umn h VAL 135 Ca 0.05 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1umn h VAL 135 Cb 0.02 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1umn h VAL 135 CO -0.04 0.01 0.36 0.77 0.02 0.00 0.00 177.57 178.69 1umn h SER 136 N -0.17 0.97 -0.51 0.57 4.64 -1.17 -1.37 113.55 116.52 1umn h SER 136 Ca -0.02 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1umn h SER 136 Cb 0.13 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 1umn h SER 136 CO 0.03 0.82 0.22 -0.78 -0.87 0.00 0.00 176.83 176.25 1umn h ASP 137 N 1.07 0.68 -0.61 4.97 3.58 -0.83 0.14 116.42 125.43 1umn h ASP 137 Ca 0.26 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.49 1umn h ASP 137 Cb 0.11 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1umn h ASP 137 CO -0.03 0.65 0.12 -0.33 -2.88 0.00 0.00 179.24 176.76 1umn h GLU 138 N 0.68 1.03 -0.00 0.28 3.07 -0.79 -1.97 114.58 116.88 1umn h GLU 138 Ca 0.17 -0.26 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1umn h GLU 138 Cb 0.16 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1umn h GLU 138 CO -0.02 0.94 -0.01 0.39 -1.40 0.00 0.00 179.01 178.91 1umn n GLU 139 N -4.23 0.82 -1.27 2.33 1.02 -0.56 -4.91 120.64 113.85 1umn n GLU 139 Ca 0.04 -0.06 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 1umn n GLU 139 Cb 0.27 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 1umn n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1umn n GLY 140 N 1.12 0.91 3.44 0.62 0.00 -0.33 -4.95 105.19 106.00 1umn n GLY 140 Ca 0.20 -0.70 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1umn n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1umn s ASP 141 N -2.91 7.04 0.45 1.61 -1.08 0.36 -4.86 116.67 117.28 1umn s ASP 141 Ca 0.00 -2.95 0.13 0.00 -0.52 0.00 0.00 52.55 49.21 1umn s ASP 141 Cb 0.00 -2.36 1.01 0.00 -1.46 0.00 0.00 42.92 40.11 1umn s ASP 141 CO 0.00 -0.71 2.02 0.77 0.52 0.00 0.00 175.17 177.77 1umn h SER 142 N 7.33 0.08 -0.08 -0.34 4.64 -1.93 -1.06 113.55 122.20 1umn h SER 142 Ca 0.26 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.55 1umn h SER 142 Cb 0.90 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 1umn h SER 142 CO 1.17 0.19 -0.06 0.58 -0.87 0.00 0.00 176.83 177.84 1umn h VAL 143 N 0.09 1.35 -0.68 0.95 2.07 -1.97 -1.94 116.25 116.12 1umn h VAL 143 Ca 0.02 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1umn h VAL 143 Cb 0.22 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1umn h VAL 143 CO 0.01 0.32 0.44 0.74 0.02 0.00 0.00 177.57 179.10 1umn h THR 144 N -0.22 1.18 -0.67 2.57 2.02 -1.92 -2.07 112.91 113.81 1umn h THR 144 Ca 0.02 -0.36 0.08 0.00 0.77 0.00 0.00 66.41 66.92 1umn h THR 144 Cb 0.54 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.08 1umn h THR 144 CO 0.02 0.18 0.34 -1.13 0.37 0.00 0.00 175.52 175.29 1umn h ASN 145 N 0.93 0.45 -0.31 4.18 -0.73 -1.12 -1.77 115.58 117.21 1umn h ASN 145 Ca 0.25 0.05 -0.11 0.00 1.87 0.00 0.00 56.30 58.36 1umn h ASN 145 Cb -0.08 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.47 1umn h ASN 145 CO -0.05 0.28 -0.21 -0.78 -0.37 0.00 0.00 177.43 176.30 1umn h ASP 146 N 0.60 0.80 -0.14 1.15 1.82 -0.85 -1.68 116.42 118.11 1umn h ASP 146 Ca 0.32 -0.28 0.03 0.00 -0.39 0.00 0.00 57.03 56.71 1umn h ASP 146 Cb 0.30 -0.22 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1umn h ASP 146 CO -0.24 0.99 -0.03 0.40 -1.61 0.00 0.00 179.24 178.75 1umn h ILE 147 N 0.69 0.87 -0.75 2.25 2.04 -0.67 -1.13 117.51 120.81 1umn h ILE 147 Ca 0.10 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.93 1umn h ILE 147 Cb 0.72 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1umn h ILE 147 CO 0.06 0.00 0.36 -0.26 0.00 0.00 0.00 178.15 178.31 1umn h PHE 148 N 0.01 1.07 -0.46 1.37 -1.00 -1.22 -2.39 116.94 114.32 1umn h PHE 148 Ca 0.07 -0.05 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1umn h PHE 148 Cb 0.10 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 39.30 1umn h PHE 148 CO -0.17 0.78 0.14 -0.97 -1.61 0.00 0.00 178.31 176.48 1umn h ASN 149 N 1.07 0.67 -0.50 2.17 -0.00 -0.85 -0.54 115.58 117.60 1umn h ASN 149 Ca 0.26 -0.21 -0.13 0.00 -0.00 0.00 0.00 56.30 56.23 1umn h ASN 149 Cb 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 1umn h ASN 149 CO -0.03 0.69 -0.17 0.58 -0.00 0.00 0.00 177.43 178.50 1umn h VAL 150 N 0.60 1.27 -0.59 2.57 2.07 -1.09 -1.33 116.25 119.76 1umn h VAL 150 Ca 0.15 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 1umn h VAL 150 Cb 0.27 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1umn h VAL 150 CO -0.00 0.47 -0.04 0.00 0.02 0.00 0.00 177.57 178.01 1umn h ALA 151 N 0.91 0.81 -0.30 1.67 0.00 -1.32 -2.57 119.26 118.46 1umn h ALA 151 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1umn h ALA 151 Cb 0.75 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1umn h ALA 151 CO 0.06 0.68 0.07 -0.22 0.00 0.00 0.00 179.25 179.84 1umn h LYS 152 N 0.96 0.48 -0.45 0.00 3.64 -0.94 -1.52 116.57 118.74 1umn h LYS 152 Ca 0.16 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1umn h LYS 152 Cb 0.61 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1umn h LYS 152 CO 0.04 0.55 -0.06 0.00 -2.27 0.00 0.00 179.45 177.71 1umn h ALA 153 N 0.91 0.36 -0.27 5.00 0.00 -1.07 -0.20 119.26 123.98 1umn h ALA 153 Ca 0.09 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1umn h ALA 153 Cb 0.29 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1umn h ALA 153 CO 0.00 -0.42 -0.37 1.03 0.00 0.00 0.00 179.25 179.48 1umn h SER 154 N 0.05 0.79 -0.54 0.00 0.87 -1.35 -2.55 113.55 110.82 1umn h SER 154 Ca 0.22 -0.51 -0.01 0.00 -1.23 0.00 0.00 61.79 60.26 1umn h SER 154 Cb 0.34 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1umn h SER 154 CO -0.43 1.14 0.30 0.40 -0.53 0.00 0.00 176.83 177.72 1umn h ILE 155 N 0.46 1.17 -0.14 2.23 1.08 -0.91 -1.78 117.51 119.62 1umn h ILE 155 Ca 0.03 -0.44 -0.13 0.00 -0.39 0.00 0.00 64.86 63.93 1umn h ILE 155 Cb 0.96 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1umn h ILE 155 CO 0.09 0.19 -0.46 -0.33 -0.69 0.00 0.00 178.15 176.95 1umn h GLU 156 N 0.78 0.34 -0.63 2.37 5.08 -0.98 -1.62 114.58 119.91 1umn h GLU 156 Ca 0.20 -0.18 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1umn h GLU 156 Cb 0.03 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1umn h GLU 156 CO -0.03 0.74 0.05 -0.22 -1.00 0.00 0.00 179.01 178.54 1umn h LYS 157 N 0.28 1.08 -0.69 2.33 3.64 -0.93 -2.28 116.57 120.00 1umn h LYS 157 Ca 0.02 -0.32 -0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1umn h LYS 157 Cb 0.92 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.60 1umn h LYS 157 CO 0.08 1.02 0.28 0.45 -2.27 0.00 0.00 179.45 179.01 1umn h HIS 158 N 1.00 1.02 -0.87 1.91 3.86 -0.95 -2.35 115.15 118.76 1umn h HIS 158 Ca 0.19 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1umn h HIS 158 Cb 0.51 -0.31 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 1umn h HIS 158 CO 0.04 0.77 0.48 0.82 0.86 0.00 0.00 177.93 180.90 1umn h ILE 159 N 0.99 1.25 -0.08 2.45 2.04 -0.86 0.82 117.51 124.12 1umn h ILE 159 Ca 0.23 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 1umn h ILE 159 Cb 0.18 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1umn h ILE 159 CO -0.02 0.28 0.04 -0.25 0.00 0.00 0.00 178.15 178.20 1umn h TRP 160 N 1.22 0.12 -0.29 1.37 7.01 -0.92 -0.47 115.95 123.98 1umn h TRP 160 Ca 0.31 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 1umn h TRP 160 Cb 0.02 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1umn h TRP 160 CO 0.01 0.17 0.16 0.52 -2.79 0.00 0.00 178.44 176.51 1umn h MET 161 N 0.03 0.41 -0.43 2.65 2.86 -1.00 0.26 114.93 119.71 1umn h MET 161 Ca 0.03 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1umn h MET 161 Cb 0.09 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1umn h MET 161 CO -0.00 0.35 0.26 -0.07 1.06 0.00 0.00 176.91 178.51 1umn h LEU 162 N 0.36 0.43 -0.63 1.22 3.38 -0.78 -1.30 115.31 117.99 1umn h LEU 162 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1umn h LEU 162 Cb 0.06 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1umn h LEU 162 CO -0.02 0.31 0.26 1.56 0.09 0.00 0.00 178.44 180.64 1umn h GLN 163 N 0.53 0.93 -0.48 1.13 1.08 -0.77 -2.11 115.11 115.42 1umn h GLN 163 Ca 0.17 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 1umn h GLN 163 Cb -0.00 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 1umn h GLN 163 CO -0.07 0.78 0.17 0.00 -0.95 0.00 0.00 178.83 178.76 1umn h ALA 164 N 1.10 0.58 -0.77 3.87 0.00 -0.03 0.16 119.26 124.18 1umn h ALA 164 Ca 0.21 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.24 1umn h ALA 164 Cb 0.19 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1umn h ALA 164 CO -0.02 -0.22 0.51 1.49 0.00 0.00 0.00 179.25 181.01 1umn h GLU 165 N 0.35 0.83 -0.18 0.00 4.57 -0.88 0.27 114.58 119.53 1umn h GLU 165 Ca 0.23 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1umn h GLU 165 Cb 0.23 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1umn h GLU 165 CO -0.23 0.55 0.00 1.28 -1.18 0.00 0.00 179.01 179.43 1umn n LEU 166 N -4.48 0.96 -1.42 1.64 4.77 -0.03 -4.89 117.00 113.56 1umn n LEU 166 Ca 0.11 -0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 55.47 1umn n LEU 166 Cb 0.20 -0.12 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1umn n LEU 166 CO 0.34 0.24 -0.16 0.61 -1.33 0.00 0.00 177.39 177.08 1umn n GLY 167 N 0.79 0.29 3.51 -0.72 0.00 0.95 -5.01 105.19 104.99 1umn n GLY 167 Ca 0.06 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.24 1.75 0.65 1.61 -0.21 0.35 -4.98 119.66 114.59 1umn s GLN 168 Ca 0.00 -1.96 -0.10 0.00 0.02 0.00 0.00 55.36 53.32 1umn s GLN 168 Cb 0.00 -1.26 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 1umn s GLN 168 CO 0.00 -0.07 1.03 0.00 -2.12 0.00 0.00 175.29 174.13 1umn s ALA 169 N -2.98 3.05 0.25 6.09 0.00 -1.26 -3.31 121.76 123.60 1umn s ALA 169 Ca 0.34 -0.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1umn s ALA 169 Cb 0.08 -2.95 0.34 0.00 0.00 0.00 0.00 23.12 20.59 1umn s ALA 169 CO 0.16 -0.90 1.87 -1.35 0.00 0.00 0.00 175.76 175.53 1umn h PRO 170 N -0.42 1.05 -6.26 0.00 0.11 -1.87 -3.46 132.00 121.14 1umn h PRO 170 Ca -0.45 -0.06 -0.46 0.00 0.11 0.00 0.00 66.00 65.14 1umn h PRO 170 Cb 1.23 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1umn h PRO 170 CO 0.63 0.69 -0.83 1.63 -0.21 0.00 0.00 178.00 179.91 1umn n LYS 171 N -4.55 -4.53 0.00 1.05 5.02 -1.26 -4.87 118.16 109.01 1umn n LYS 171 Ca 0.13 0.55 0.03 0.00 -2.02 0.00 0.00 58.31 57.00 1umn n LYS 171 Cb 0.16 -5.06 0.18 0.00 -0.02 0.00 0.00 35.03 30.28 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16