#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn h SER 21 N 0.00 0.85 -0.34 0.58 0.87 -2.04 -3.23 113.55 110.24 1umn h SER 21 Ca 0.00 -0.29 -0.15 0.00 -1.23 0.00 0.00 61.79 60.12 1umn h SER 21 Cb 0.00 -0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 61.64 1umn h SER 21 CO 0.00 1.01 -0.04 0.18 -0.53 0.00 0.00 176.83 177.46 1umn n LEU 22 N -4.13 4.11 -0.33 2.23 4.32 -1.26 -4.73 117.00 117.21 1umn n LEU 22 Ca 0.01 -3.59 -0.02 0.00 -0.02 0.00 0.00 56.01 52.40 1umn n LEU 22 Cb 0.41 -0.62 0.14 0.00 -1.62 0.00 0.00 43.42 41.74 1umn n LEU 22 CO 0.45 1.11 1.26 0.00 -1.22 0.00 0.00 177.39 178.98 1umn h ALA 23 N 1.15 1.31 -0.13 -1.18 0.00 -2.00 -1.86 119.26 116.55 1umn h ALA 23 Ca 0.18 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1umn h ALA 23 Cb 1.63 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1umn h ALA 23 CO 0.36 0.62 -0.25 -0.44 0.00 0.00 0.00 179.25 179.55 1umn h ASP 24 N 1.25 0.45 -0.26 0.00 3.32 -1.86 -1.99 116.42 117.34 1umn h ASP 24 Ca 0.33 -0.55 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1umn h ASP 24 Cb -0.11 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1umn h ASP 24 CO -0.07 0.91 0.04 0.28 -1.72 0.00 0.00 179.24 178.68 1umn h SER 25 N -0.00 -0.01 -0.93 6.45 0.02 -1.81 -0.72 113.55 116.55 1umn h SER 25 Ca 0.01 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1umn h SER 25 Cb 0.83 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.37 1umn h SER 25 CO 0.06 0.03 0.59 0.11 -1.14 0.00 0.00 176.83 176.48 1umn h LYS 26 N 0.13 1.06 -0.50 3.45 1.57 -1.35 -1.06 116.57 119.87 1umn h LYS 26 Ca 0.12 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1umn h LYS 26 Cb 0.13 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1umn h LYS 26 CO -0.16 0.70 0.07 0.00 -0.57 0.00 0.00 179.45 179.49 1umn h ALA 27 N 1.42 0.67 -0.00 3.86 0.00 -0.53 -0.99 119.26 123.70 1umn h ALA 27 Ca 0.40 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1umn h ALA 27 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1umn h ALA 27 CO -0.17 0.42 -0.61 -0.24 0.00 0.00 0.00 179.25 178.66 1umn h VAL 28 N 0.72 1.43 -0.47 0.00 3.04 -0.82 0.67 116.25 120.83 1umn h VAL 28 Ca 0.15 -2.07 -0.10 0.00 -1.01 0.00 0.00 66.70 63.67 1umn h VAL 28 Cb 0.41 2.11 -0.02 0.00 -2.01 0.00 0.00 31.29 31.79 1umn h VAL 28 CO 0.01 0.59 -0.08 -0.07 -1.01 0.00 0.00 177.57 177.01 1umn h LEU 29 N 0.01 0.88 -0.64 3.16 3.38 -0.99 -0.09 115.31 121.01 1umn h LEU 29 Ca -0.01 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.48 1umn h LEU 29 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1umn h LEU 29 CO 0.08 1.02 -0.42 -1.13 0.09 0.00 0.00 178.44 178.08 1umn h ASN 30 N 0.72 0.62 -0.78 -0.43 -1.24 -0.96 -0.64 115.58 112.87 1umn h ASN 30 Ca 0.12 -0.28 0.01 0.00 0.71 0.00 0.00 56.30 56.86 1umn h ASN 30 Cb 0.62 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.45 1umn h ASN 30 CO 0.04 0.96 0.51 -0.61 -1.29 0.00 0.00 177.43 177.05 1umn h GLN 31 N 0.47 1.01 -0.78 6.67 5.75 -0.56 -1.88 115.11 125.79 1umn h GLN 31 Ca 0.04 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1umn h GLN 31 Cb 0.93 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 29.22 1umn h GLN 31 CO 0.08 0.67 0.39 0.00 -2.65 0.00 0.00 178.83 177.32 1umn h ALA 32 N 1.30 1.00 -0.64 3.38 0.00 -0.47 -0.96 119.26 122.86 1umn h ALA 32 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.14 1umn h ALA 32 Cb -0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 17.34 1umn h ALA 32 CO -0.08 0.54 0.31 0.28 0.00 0.00 0.00 179.25 180.31 1umn h VAL 33 N 1.09 0.88 0.11 0.00 2.07 -0.36 0.34 116.25 120.38 1umn h VAL 33 Ca 0.27 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1umn h VAL 33 Cb 0.09 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1umn h VAL 33 CO -0.04 0.10 -0.05 0.00 0.02 0.00 0.00 177.57 177.60 1umn h ALA 34 N 1.38 -0.14 -0.31 1.67 0.00 -1.01 -2.08 119.26 118.76 1umn h ALA 34 Ca 0.31 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1umn h ALA 34 Cb 0.28 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1umn h ALA 34 CO -0.23 -0.41 -0.03 -0.44 0.00 0.00 0.00 179.25 178.14 1umn h ASP 35 N -0.49 0.46 -0.10 0.00 3.32 -0.90 -1.70 116.42 117.01 1umn h ASP 35 Ca -0.01 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 1umn h ASP 35 Cb 0.40 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1umn h ASP 35 CO 0.02 0.55 -0.49 -0.07 -1.72 0.00 0.00 179.24 177.54 1umn h LEU 36 N 0.47 0.73 -0.56 1.55 3.38 -0.34 0.18 115.31 120.72 1umn h LEU 36 Ca 0.10 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1umn h LEU 36 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1umn h LEU 36 CO 0.01 1.09 0.16 0.28 0.09 0.00 0.00 178.44 180.07 1umn h SER 37 N 0.53 0.83 0.16 -0.43 0.02 -0.93 0.10 113.55 113.83 1umn h SER 37 Ca 0.03 -0.22 -0.21 0.00 -0.84 0.00 0.00 61.79 60.54 1umn h SER 37 Cb 1.04 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1umn h SER 37 CO 0.10 0.84 -0.84 0.58 -1.14 0.00 0.00 176.83 176.37 1umn h VAL 38 N 0.79 1.35 -0.66 2.27 2.07 -1.23 -2.72 116.25 118.13 1umn h VAL 38 Ca 0.18 -2.20 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 1umn h VAL 38 Cb 0.31 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1umn h VAL 38 CO -0.00 0.67 0.30 0.00 0.02 0.00 0.00 177.57 178.56 1umn h ALA 39 N 0.73 1.30 -0.70 1.67 0.00 -0.41 -0.93 119.26 120.92 1umn h ALA 39 Ca -0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1umn h ALA 39 Cb 1.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1umn h ALA 39 CO 0.15 0.54 0.31 1.25 0.00 0.00 0.00 179.25 181.51 1umn h HIS 40 N 0.93 1.03 -0.52 0.00 6.17 -0.90 -0.94 115.15 120.92 1umn h HIS 40 Ca 0.23 -0.06 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 1umn h HIS 40 Cb 0.12 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.71 1umn h HIS 40 CO 0.01 0.77 0.25 1.03 0.71 0.00 0.00 177.93 180.71 1umn h SER 41 N 0.98 0.68 -0.39 3.26 0.87 -1.03 -1.13 113.55 116.79 1umn h SER 41 Ca 0.24 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1umn h SER 41 Cb 0.15 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1umn h SER 41 CO -0.03 0.61 0.05 0.40 -0.53 0.00 0.00 176.83 177.33 1umn h ILE 42 N 0.69 1.25 -0.90 2.23 2.04 -0.92 -1.27 117.51 120.63 1umn h ILE 42 Ca 0.18 -0.89 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1umn h ILE 42 Cb 0.11 1.08 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 1umn h ILE 42 CO -0.02 0.30 0.58 -0.07 0.00 0.00 0.00 178.15 178.94 1umn h LEU 43 N 0.49 0.94 -0.72 1.44 3.38 -0.98 -0.93 115.31 118.93 1umn h LEU 43 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1umn h LEU 43 Cb 0.39 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1umn h LEU 43 CO 0.01 0.63 0.34 -0.74 0.09 0.00 0.00 178.44 178.77 1umn h HIS 44 N 1.09 1.05 -0.48 1.13 2.76 -0.82 0.25 115.15 120.14 1umn h HIS 44 Ca 0.37 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1umn h HIS 44 Cb 0.07 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.68 1umn h HIS 44 CO -0.02 0.78 0.29 0.37 -1.30 0.00 0.00 177.93 178.06 1umn h GLN 45 N 1.01 0.65 -0.61 5.26 4.15 -0.36 -0.36 115.11 124.85 1umn h GLN 45 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1umn h GLN 45 Cb 0.14 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1umn h GLN 45 CO -0.03 0.47 0.32 0.28 -1.93 0.00 0.00 178.83 177.94 1umn h VAL 46 N 0.64 1.20 -0.47 2.39 2.07 -0.68 -0.34 116.25 121.06 1umn h VAL 46 Ca 0.17 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.20 1umn h VAL 46 Cb -0.01 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 1umn h VAL 46 CO -0.03 0.22 0.25 -0.74 0.02 0.00 0.00 177.57 177.29 1umn h HIS 47 N 0.83 0.46 -0.03 1.57 -0.00 -0.60 -2.24 115.15 115.15 1umn h HIS 47 Ca 0.21 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1umn h HIS 47 Cb 0.06 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 1umn h HIS 47 CO -0.01 0.25 -0.24 -1.49 -0.00 0.00 0.00 177.93 176.44 1umn h TRP 48 N 0.50 0.29 -0.01 5.26 6.55 -0.72 -3.34 115.95 124.48 1umn h TRP 48 Ca 0.20 -0.14 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1umn h TRP 48 Cb 0.08 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1umn h TRP 48 CO -0.09 0.89 -0.03 0.66 -1.05 0.00 0.00 178.44 178.82 1umn n TYR 49 N -4.52 0.00 -1.79 0.49 4.02 -0.17 -4.95 117.16 110.24 1umn n TYR 49 Ca -0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.39 1umn n TYR 49 Cb 0.47 -0.03 -0.01 0.00 -0.02 0.00 0.00 39.34 39.75 1umn n TYR 49 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 176.86 177.26 1umn s MET 50 N -2.09 4.11 -0.16 -0.72 1.75 -0.84 -4.38 119.30 116.97 1umn s MET 50 Ca 0.40 2.58 -0.15 0.00 -1.25 0.00 0.00 55.69 57.26 1umn s MET 50 Cb 0.21 -3.00 0.04 0.00 2.84 0.00 0.00 34.83 34.93 1umn s MET 50 CO 0.38 -0.59 0.43 1.03 -0.65 0.00 0.00 175.02 175.62 1umn s ARG 51 N -1.26 0.50 0.00 4.11 0.52 -1.26 -5.05 118.95 116.51 1umn s ARG 51 Ca 0.58 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1umn s ARG 51 Cb -0.47 0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.23 1umn s ARG 51 CO 0.55 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.22 1umn n GLY 52 N 2.89 3.28 3.71 -3.53 0.00 -1.26 -3.92 105.19 106.37 1umn n GLY 52 Ca -0.14 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.59 1umn n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1umn n ARG 53 N -1.42 2.81 0.00 1.61 5.12 -1.26 -1.67 116.66 121.85 1umn n ARG 53 Ca 0.00 1.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1umn n ARG 53 Cb 0.00 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.42 1umn n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1umn n GLY 54 N 4.06 0.84 0.23 -0.13 0.00 -1.26 -4.94 105.19 103.99 1umn n GLY 54 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.16 0.00 1.61 3.57 -1.69 -0.21 116.94 120.39 1umn h PHE 55 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1umn h PHE 55 Cb 0.00 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1umn h PHE 55 CO 0.00 -0.05 -0.02 1.98 -2.23 0.00 0.00 178.31 177.99 1umn h MET 56 N 0.23 0.00 0.09 1.11 4.05 -1.94 0.13 114.93 118.60 1umn h MET 56 Ca 0.31 0.00 -0.35 0.00 -0.28 0.00 0.00 59.70 59.38 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 -0.41 0.02 -1.96 1.51 0.23 0.00 0.00 176.91 176.30 1umn n ILE 57 N -4.42 1.70 0.10 1.77 0.00 -0.81 -4.43 119.36 113.27 1umn n ILE 57 Ca -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 62.75 62.17 1umn n ILE 57 Cb 0.10 -1.75 -0.02 0.00 0.00 0.00 0.00 39.64 37.96 1umn n ILE 57 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1umn h TRP 58 N -0.15 0.00 0.62 9.51 4.06 -0.85 -3.00 115.95 126.14 1umn h TRP 58 Ca -0.44 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 1umn h TRP 58 Cb 1.88 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 30.04 1umn h TRP 58 CO 0.07 0.74 -0.36 1.25 -3.56 0.00 0.00 178.44 176.58 1umn h HIS 59 N 0.00 -0.94 0.00 0.49 2.76 -0.96 -1.34 115.15 115.16 1umn h HIS 59 Ca -0.01 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.11 1umn h HIS 59 Cb 1.54 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 1umn h HIS 59 CO 0.00 -0.55 -0.19 -1.00 -1.30 0.00 0.00 177.93 174.89 1umn h PRO 60 N -0.92 0.00 -0.63 5.26 0.13 -1.77 -2.35 132.00 131.71 1umn h PRO 60 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.01 1umn h PRO 60 Cb 0.73 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1umn h PRO 60 CO 0.09 0.19 0.24 -0.22 -0.23 0.00 0.00 178.00 178.07 1umn h LYS 61 N 0.00 0.93 -0.40 0.86 1.63 -1.29 -0.92 116.57 117.39 1umn h LYS 61 Ca -0.00 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1umn h LYS 61 Cb 0.43 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1umn h LYS 61 CO 0.02 0.77 0.16 0.52 -3.45 0.00 0.00 179.45 177.48 1umn h MET 62 N 0.92 0.56 -0.33 1.90 2.86 -0.70 0.03 114.93 120.17 1umn h MET 62 Ca 0.21 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1umn h MET 62 Cb 0.20 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1umn h MET 62 CO -0.02 0.46 -0.20 0.22 1.06 0.00 0.00 176.91 178.43 1umn h ASP 63 N 0.56 0.63 -0.33 1.22 3.58 -1.13 0.80 116.42 121.75 1umn h ASP 63 Ca 0.14 -0.21 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1umn h ASP 63 Cb 0.11 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1umn h ASP 63 CO -0.01 0.83 0.03 -0.33 -2.88 0.00 0.00 179.24 176.87 1umn h GLU 64 N 0.56 0.57 -0.86 0.28 5.08 -0.45 -1.65 114.58 118.10 1umn h GLU 64 Ca 0.09 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1umn h GLU 64 Cb 0.65 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1umn h GLU 64 CO 0.05 0.67 0.57 1.88 -1.00 0.00 0.00 179.01 181.18 1umn h TYR 65 N 0.38 1.08 -0.67 4.33 0.99 -0.66 -0.85 116.97 121.56 1umn h TYR 65 Ca 0.10 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.82 1umn h TYR 65 Cb 0.40 -0.36 -0.03 0.00 1.00 0.00 0.00 36.73 37.74 1umn h TYR 65 CO 0.03 0.66 0.29 0.52 -0.00 0.00 0.00 178.16 179.66 1umn h MET 66 N 1.15 0.98 -0.23 4.88 2.86 -0.59 0.40 114.93 124.37 1umn h MET 66 Ca 0.32 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1umn h MET 66 Cb -0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.38 1umn h MET 66 CO -0.08 0.78 0.09 1.49 1.06 0.00 0.00 176.91 180.26 1umn h GLU 67 N 0.97 0.34 -0.36 1.72 4.57 -0.51 -0.03 114.58 121.29 1umn h GLU 67 Ca 0.23 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1umn h GLU 67 Cb 0.16 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1umn h GLU 67 CO -0.02 0.39 0.21 1.49 -1.18 0.00 0.00 179.01 179.89 1umn h GLU 68 N 0.22 0.49 -0.69 1.92 4.81 -0.68 -0.30 114.58 120.34 1umn h GLU 68 Ca 0.08 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 1umn h GLU 68 Cb 0.17 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1umn h GLU 68 CO -0.01 0.38 0.40 0.82 -0.73 0.00 0.00 179.01 179.87 1umn h ILE 69 N 0.46 1.00 -0.99 2.32 1.08 -0.77 -0.99 117.51 119.62 1umn h ILE 69 Ca 0.13 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.38 1umn h ILE 69 Cb 0.02 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 33.90 1umn h ILE 69 CO -0.02 0.14 0.65 0.44 -0.69 0.00 0.00 178.15 178.66 1umn h ASP 70 N 0.75 1.08 -0.75 1.72 3.45 -0.46 -1.23 116.42 120.98 1umn h ASP 70 Ca 0.30 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.73 1umn h ASP 70 Cb 0.15 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1umn h ASP 70 CO -0.16 0.74 0.37 1.23 -1.57 0.00 0.00 179.24 179.85 1umn h GLY 71 N 1.25 1.15 1.45 2.75 0.00 0.22 -1.23 103.07 108.66 1umn h GLY 71 Ca 0.40 -0.56 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1umn h GLY 71 CO -0.13 0.53 -0.21 -0.97 0.00 0.00 0.00 176.54 175.76 1umn h TYR 72 N 1.05 0.71 -0.80 5.60 0.05 -0.55 -2.09 116.97 120.95 1umn h TYR 72 Ca 0.26 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 1umn h TYR 72 Cb 0.10 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 1umn h TYR 72 CO 0.01 0.80 0.32 1.25 -1.05 0.00 0.00 178.16 179.48 1umn h LEU 73 N 0.56 1.10 0.03 3.88 5.85 -0.75 -0.01 115.31 125.97 1umn h LEU 73 Ca 0.09 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1umn h LEU 73 Cb 0.67 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1umn h LEU 73 CO 0.05 0.97 -0.01 0.44 -0.34 0.00 0.00 178.44 179.54 1umn h ASP 74 N 1.16 -0.04 -0.02 1.25 3.32 -0.89 -1.03 116.42 120.16 1umn h ASP 74 Ca 0.27 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 1umn h ASP 74 Cb 0.21 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1umn h ASP 74 CO -0.02 0.03 0.01 -0.33 -1.72 0.00 0.00 179.24 177.21 1umn h GLU 75 N -0.10 0.03 -0.29 3.56 5.08 -1.10 -2.08 114.58 119.68 1umn h GLU 75 Ca -0.00 -0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 1umn h GLU 75 Cb 0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1umn h GLU 75 CO 0.01 0.06 -0.50 0.52 -1.00 0.00 0.00 179.01 178.09 1umn h MET 76 N -0.00 0.83 -0.31 2.33 2.86 -1.00 -2.00 114.93 117.63 1umn h MET 76 Ca 0.01 -0.50 -0.06 0.00 -2.06 0.00 0.00 59.70 57.09 1umn h MET 76 Cb 0.04 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1umn h MET 76 CO -0.00 1.13 -0.05 0.66 1.06 0.00 0.00 176.91 179.71 1umn h SER 77 N 0.65 0.59 -0.69 1.22 4.64 -1.23 -1.50 113.55 117.23 1umn h SER 77 Ca 0.03 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1umn h SER 77 Cb 1.10 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.00 1umn h SER 77 CO 0.11 0.80 0.28 -0.33 -0.87 0.00 0.00 176.83 176.81 1umn h GLU 78 N 0.37 1.03 -0.60 4.77 5.08 -1.38 -0.85 114.58 123.00 1umn h GLU 78 Ca 0.08 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1umn h GLU 78 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1umn h GLU 78 CO 0.03 0.85 0.04 -0.09 -1.00 0.00 0.00 179.01 178.84 1umn h ARG 79 N 0.98 1.01 -0.38 2.33 9.65 -1.30 0.58 114.38 127.24 1umn h ARG 79 Ca 0.23 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1umn h ARG 79 Cb 0.21 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1umn h ARG 79 CO -0.02 0.96 0.21 1.25 2.80 0.00 0.00 179.97 185.17 1umn h LEU 80 N 0.93 0.48 -0.52 3.80 5.85 -0.87 0.13 115.31 125.12 1umn h LEU 80 Ca 0.18 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1umn h LEU 80 Cb 0.48 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1umn h LEU 80 CO 0.02 0.43 0.19 0.40 -0.34 0.00 0.00 178.44 179.14 1umn h ILE 81 N 0.49 1.22 -0.09 4.05 2.04 -0.93 0.68 117.51 124.98 1umn h ILE 81 Ca 0.13 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1umn h ILE 81 Cb 0.06 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1umn h ILE 81 CO -0.02 0.27 -0.00 0.74 0.00 0.00 0.00 178.15 179.13 1umn h THR 82 N 0.71 1.06 -0.00 -0.27 2.02 -0.46 -1.12 112.91 114.85 1umn h THR 82 Ca 0.17 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1umn h THR 82 Cb 0.23 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1umn h THR 82 CO -0.01 0.08 -0.04 0.18 0.37 0.00 0.00 175.52 176.10 1umn n LEU 83 N -4.46 0.37 0.00 2.58 4.77 -0.00 -4.90 117.00 115.37 1umn n LEU 83 Ca -0.02 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1umn n LEU 83 Cb 0.13 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1umn n LEU 83 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1umn n GLY 84 N 1.18 0.85 3.38 -0.72 0.00 -0.42 -5.07 105.19 104.39 1umn n GLY 84 Ca 0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.25 0.87 2.81 -0.02 0.00 0.19 -5.00 105.19 101.79 1umn n GLY 85 Ca 0.00 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.04 1.73 0.39 4.61 0.00 -1.26 -4.45 121.76 119.74 1umn s ALA 86 Ca 0.57 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.68 1umn s ALA 86 Cb -0.03 -1.57 -0.09 0.00 0.00 0.00 0.00 23.12 21.43 1umn s ALA 86 CO 0.37 -1.50 1.33 -1.25 0.00 0.00 0.00 175.76 174.71 1umn s PRO 87 N 1.51 4.03 0.40 0.00 0.04 -1.26 -4.94 135.00 134.77 1umn s PRO 87 Ca 0.05 2.23 -0.27 0.00 0.04 0.00 0.00 61.00 63.05 1umn s PRO 87 Cb -0.18 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.43 1umn s PRO 87 CO -0.17 -0.46 1.40 1.19 0.04 0.00 0.00 177.00 179.00 1umn n PHE 88 N 0.26 2.63 -2.58 0.56 0.99 -1.26 -4.90 117.46 113.17 1umn n PHE 88 Ca 0.03 0.47 -0.02 0.00 -0.00 0.00 0.00 57.45 57.94 1umn n PHE 88 Cb 0.43 -2.46 0.06 0.00 -1.00 0.00 0.00 39.48 36.50 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 0.31 -0.17 -3.88 4.37 3.41 -1.26 -4.95 113.62 111.44 1umn n SER 89 Ca 0.04 -2.09 -0.11 0.00 -0.26 0.00 0.00 58.87 56.45 1umn n SER 89 Cb 0.39 0.15 -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 -1.06 0.09 0.33 6.66 -4.23 -1.26 -5.05 115.64 111.12 1umn s THR 90 Ca 0.16 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 1umn s THR 90 Cb 0.32 -0.42 0.26 0.00 1.34 0.00 0.00 72.50 74.01 1umn s THR 90 CO -0.09 -0.40 1.99 -0.07 -0.54 0.00 0.00 174.62 175.52 1umn h LEU 91 N 4.30 0.82 -0.54 4.79 3.38 -1.99 -1.92 115.31 124.15 1umn h LEU 91 Ca -0.31 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 1umn h LEU 91 Cb 1.20 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1umn h LEU 91 CO 0.41 0.59 0.22 0.50 0.09 0.00 0.00 178.44 180.25 1umn h LYS 92 N 0.96 0.80 -0.52 1.13 3.64 -1.98 0.49 116.57 121.10 1umn h LYS 92 Ca 0.26 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1umn h LYS 92 Cb -0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 1umn h LYS 92 CO -0.06 0.70 0.25 0.93 -2.27 0.00 0.00 179.45 179.00 1umn h GLU 93 N 0.73 0.74 0.11 1.90 5.08 -1.85 0.82 114.58 122.11 1umn h GLU 93 Ca 0.18 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1umn h GLU 93 Cb 0.19 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1umn h GLU 93 CO -0.02 0.61 -0.16 0.74 -1.00 0.00 0.00 179.01 179.18 1umn h PHE 94 N 0.69 -0.42 -0.44 4.33 0.05 -1.04 -1.04 116.94 119.06 1umn h PHE 94 Ca 0.18 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.96 1umn h PHE 94 Cb 0.11 0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.21 1umn h PHE 94 CO -0.01 -0.24 0.22 0.77 -0.18 0.00 0.00 178.31 178.87 1umn h SER 95 N -0.33 0.56 0.73 2.17 0.02 -0.66 -1.22 113.55 114.82 1umn h SER 95 Ca 0.02 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.74 1umn h SER 95 Cb 0.34 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1umn h SER 95 CO -0.08 0.52 -0.51 -0.33 -1.14 0.00 0.00 176.83 175.30 1umn h GLU 96 N 0.57 0.00 0.00 3.45 5.08 -0.75 -3.29 114.58 119.64 1umn h GLU 96 Ca 0.15 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1umn h GLU 96 Cb 0.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1umn h GLU 96 CO -0.02 0.51 -1.62 0.09 -1.00 0.00 0.00 179.01 176.97 1umn n ASN 97 N -3.68 0.62 -4.76 1.42 3.02 -0.40 -4.94 115.26 106.53 1umn n ASN 97 Ca -0.01 0.27 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 1umn n ASN 97 Cb 0.57 0.54 0.00 0.00 -0.61 0.00 0.00 39.78 40.28 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 -5.55 5.92 0.00 6.41 0.15 -0.47 -4.89 113.70 115.26 1umn s SER 98 Ca -0.05 2.43 0.26 0.00 0.70 0.00 0.00 55.95 59.29 1umn s SER 98 Cb 0.09 -2.61 0.63 0.00 -1.71 0.00 0.00 66.02 62.42 1umn s SER 98 CO 0.83 -1.10 1.49 0.00 1.20 0.00 0.00 173.24 175.65 1umn n GLN 99 N -0.65 0.58 -2.96 5.44 1.13 -1.26 -4.90 117.38 114.76 1umn n GLN 99 Ca 0.08 -0.35 -0.36 0.00 -1.94 0.00 0.00 57.00 54.44 1umn n GLN 99 Cb 0.47 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 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 -2.66 4.25 -0.05 1.08 1.43 -1.26 -5.07 118.68 116.40 1umn s LEU 100 Ca 0.20 1.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1umn s LEU 100 Cb 0.19 -3.92 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1umn s LEU 100 CO 0.58 -0.08 -0.11 -1.59 0.23 0.00 0.00 176.35 175.38 1umn s LYS 101 N -2.29 2.57 0.09 1.70 0.00 -1.26 -5.08 119.74 115.47 1umn s LYS 101 Ca 0.49 -0.66 0.06 0.00 0.00 0.00 0.00 55.97 55.86 1umn s LYS 101 Cb -0.15 -2.45 -0.04 0.00 0.00 0.00 0.00 37.83 35.18 1umn s LYS 101 CO 0.20 0.63 -0.07 -1.21 0.00 0.00 0.00 175.35 174.91 1umn s GLU 102 N -0.86 2.31 0.22 1.78 2.02 -1.26 -5.10 118.70 117.81 1umn s GLU 102 Ca 0.12 -0.93 0.05 0.00 0.02 0.00 0.00 54.97 54.23 1umn s GLU 102 Cb -0.11 -2.40 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 1umn s GLU 102 CO 0.02 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 175.92 1umn s VAL 103 N -1.22 1.24 0.56 2.63 -7.23 -1.26 -5.12 120.40 109.99 1umn s VAL 103 Ca 0.22 -2.07 -0.21 0.00 -1.81 0.00 0.00 61.98 58.11 1umn s VAL 103 Cb -0.11 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1umn s VAL 103 CO 0.14 -0.45 1.36 -0.76 -0.31 0.00 0.00 175.10 175.08 1umn s LEU 104 N -3.30 3.83 0.50 1.32 2.01 -1.26 -4.93 118.68 116.84 1umn s LEU 104 Ca 0.25 2.76 -0.23 0.00 0.01 0.00 0.00 54.13 56.92 1umn s LEU 104 Cb 0.04 -4.30 -0.06 0.00 0.01 0.00 0.00 46.19 41.88 1umn s LEU 104 CO 0.07 -1.62 1.34 -0.83 1.01 0.00 0.00 176.35 176.33 1umn s GLY 105 N -0.98 2.88 -0.19 -3.19 0.00 -1.26 -5.02 107.32 99.57 1umn s GLY 105 Ca 0.73 1.30 -0.04 0.00 0.00 0.00 0.00 44.72 46.70 1umn s GLY 105 CO 0.47 1.84 0.31 -0.35 0.00 0.00 0.00 173.10 175.38 1umn s ASP 106 N -0.89 0.41 0.45 1.64 2.15 -1.26 -5.03 116.67 114.15 1umn s ASP 106 Ca 0.67 0.41 0.31 0.00 0.43 0.00 0.00 52.55 54.36 1umn s ASP 106 Cb -0.39 0.87 1.43 0.00 -0.30 0.00 0.00 42.92 44.53 1umn s ASP 106 CO 0.48 -0.27 1.93 1.88 -0.17 0.00 0.00 175.17 179.02 1umn h TYR 107 N 8.24 0.00 -0.01 -5.34 -1.99 -1.96 -3.03 116.97 112.89 1umn h TYR 107 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.57 1umn h TYR 107 Cb 1.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.86 1umn h TYR 107 CO 0.24 0.00 -0.10 0.09 -0.00 0.00 0.00 178.16 178.39 1umn n ASN 108 N -2.70 0.75 -4.76 3.88 3.02 -1.26 -4.56 115.26 109.63 1umn n ASN 108 Ca 0.00 -0.89 -0.41 0.00 -0.03 0.00 0.00 54.58 53.25 1umn n ASN 108 Cb 0.19 -0.01 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 1umn n ASN 108 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1umn s VAL 109 N -2.32 2.75 0.65 2.41 1.01 -1.15 -4.97 120.40 118.79 1umn s VAL 109 Ca 0.32 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.88 1umn s VAL 109 Cb 0.20 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1umn s VAL 109 CO 0.44 0.14 1.05 0.42 0.00 0.00 0.00 175.10 177.14 1umn s THR 110 N -0.57 4.31 0.19 3.92 -4.23 -1.26 -4.64 115.64 113.36 1umn s THR 110 Ca 0.54 0.78 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 1umn s THR 110 Cb -0.40 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 69.94 1umn s THR 110 CO 0.48 -0.96 1.74 0.40 -0.54 0.00 0.00 174.62 175.74 1umn h ILE 111 N -0.45 0.81 -0.09 2.99 1.08 -1.92 0.55 117.51 120.46 1umn h ILE 111 Ca -0.44 -0.12 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 1umn h ILE 111 Cb 1.20 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1umn h ILE 111 CO 0.59 0.06 -0.21 -0.33 -0.69 0.00 0.00 178.15 177.57 1umn h GLU 112 N 0.35 0.15 -0.11 2.37 5.08 -1.94 -0.90 114.58 119.58 1umn h GLU 112 Ca 0.25 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.40 1umn h GLU 112 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1umn h GLU 112 CO -0.26 0.36 -0.63 0.93 -1.00 0.00 0.00 179.01 178.41 1umn h GLU 113 N 0.14 0.41 -0.19 2.33 5.08 -1.60 -1.82 114.58 118.93 1umn h GLU 113 Ca 0.03 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1umn h GLU 113 Cb 0.46 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1umn h GLU 113 CO 0.03 0.91 -0.02 1.96 -1.00 0.00 0.00 179.01 180.89 1umn h GLN 114 N 0.30 0.36 -0.71 2.33 1.08 -0.18 -1.23 115.11 117.05 1umn h GLN 114 Ca -0.01 -0.12 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 1umn h GLN 114 Cb 1.18 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 1umn h GLN 114 CO 0.11 0.58 0.29 -0.07 -0.95 0.00 0.00 178.83 178.79 1umn h LEU 115 N 0.10 0.96 -1.16 1.46 3.38 -1.15 -1.18 115.31 117.71 1umn h LEU 115 Ca 0.05 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1umn h LEU 115 Cb 0.43 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1umn h LEU 115 CO 0.01 0.85 0.17 0.00 0.09 0.00 0.00 178.44 179.56 1umn h ALA 116 N 1.29 1.33 -0.41 1.53 0.00 -1.18 0.01 119.26 121.84 1umn h ALA 116 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1umn h ALA 116 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1umn h ALA 116 CO -0.02 0.49 0.00 -0.09 0.00 0.00 0.00 179.25 179.63 1umn h ARG 117 N 0.75 0.72 -0.62 0.00 9.65 -0.29 -1.62 114.38 122.97 1umn h ARG 117 Ca 0.17 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 1umn h ARG 117 Cb 0.21 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1umn h ARG 117 CO -0.01 0.81 0.28 0.28 2.80 0.00 0.00 179.97 184.12 1umn h VAL 118 N 0.55 1.21 -0.56 0.20 2.07 -0.46 -1.46 116.25 117.80 1umn h VAL 118 Ca 0.12 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1umn h VAL 118 Cb 0.48 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1umn h VAL 118 CO 0.02 0.25 0.35 0.58 0.02 0.00 0.00 177.57 178.80 1umn h VAL 119 N 0.89 1.16 -0.60 2.57 2.07 -0.70 -0.55 116.25 121.09 1umn h VAL 119 Ca 0.21 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1umn h VAL 119 Cb 0.13 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1umn h VAL 119 CO -0.02 0.16 0.29 -0.33 0.02 0.00 0.00 177.57 177.69 1umn h GLU 120 N 0.76 0.87 -0.51 1.57 4.39 -0.54 0.96 114.58 122.08 1umn h GLU 120 Ca 0.20 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1umn h GLU 120 Cb -0.04 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 1umn h GLU 120 CO -0.04 0.70 0.29 0.28 -1.16 0.00 0.00 179.01 179.08 1umn h VAL 121 N 0.82 1.17 -0.63 3.13 2.07 -0.91 -2.12 116.25 119.78 1umn h VAL 121 Ca 0.21 -0.40 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1umn h VAL 121 Cb 0.12 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1umn h VAL 121 CO -0.03 0.17 0.05 -0.26 0.02 0.00 0.00 177.57 177.53 1umn h PHE 122 N 0.68 1.15 -0.89 1.57 -1.00 -0.72 -0.88 116.94 116.84 1umn h PHE 122 Ca 0.18 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1umn h PHE 122 Cb 0.02 -0.31 -0.04 0.00 3.61 0.00 0.00 35.95 39.23 1umn h PHE 122 CO -0.02 0.99 0.55 0.00 -1.61 0.00 0.00 178.31 178.21 1umn h ARG 123 N 0.99 1.19 0.12 1.51 3.08 -0.57 0.17 114.38 120.87 1umn h ARG 123 Ca 0.19 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1umn h ARG 123 Cb 0.49 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1umn h ARG 123 CO 0.02 0.82 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.77 1umn h TYR 124 N 1.22 -0.15 -0.93 3.04 3.20 -0.98 -1.76 116.97 120.61 1umn h TYR 124 Ca 0.32 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.24 1umn h TYR 124 Cb -0.08 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 1umn h TYR 124 CO 0.00 0.06 0.61 -0.07 -1.64 0.00 0.00 178.16 177.12 1umn h LEU 125 N -0.33 0.97 -0.91 2.82 3.38 -0.62 0.74 115.31 121.37 1umn h LEU 125 Ca -0.02 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1umn h LEU 125 Cb 0.27 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1umn h LEU 125 CO 0.03 0.64 0.23 0.00 0.09 0.00 0.00 178.44 179.43 1umn h ALA 126 N 1.48 1.12 -0.24 1.53 0.00 -0.50 0.13 119.26 122.78 1umn h ALA 126 Ca 0.39 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1umn h ALA 126 Cb 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1umn h ALA 126 CO -0.13 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.13 1umn h ALA 127 N 1.25 0.48 -0.81 0.00 0.00 -0.40 -1.63 119.26 118.15 1umn h ALA 127 Ca 0.22 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1umn h ALA 127 Cb 0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1umn h ALA 127 CO -0.01 0.69 0.43 1.25 0.00 0.00 0.00 179.25 181.61 1umn h LEU 128 N 0.60 1.03 -1.03 0.00 7.12 -0.45 -1.07 115.31 121.51 1umn h LEU 128 Ca -0.00 -0.11 -0.09 0.00 0.13 0.00 0.00 57.88 57.81 1umn h LEU 128 Cb 1.20 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 41.06 1umn h LEU 128 CO 0.13 0.84 -0.33 -0.26 -0.13 0.00 0.00 178.44 178.69 1umn h PHE 129 N 1.13 0.32 -0.49 1.25 0.05 -0.63 -0.25 116.94 118.33 1umn h PHE 129 Ca 0.28 -0.07 -0.09 0.00 3.82 0.00 0.00 57.97 61.91 1umn h PHE 129 Cb 0.05 -0.08 -0.02 0.00 2.00 0.00 0.00 35.95 37.90 1umn h PHE 129 CO 0.01 0.59 -0.07 0.37 -0.18 0.00 0.00 178.31 179.02 1umn h GLN 130 N 0.25 0.86 -0.29 1.51 5.75 -0.38 0.17 115.11 122.98 1umn h GLN 130 Ca 0.03 -0.28 -0.07 0.00 -0.15 0.00 0.00 58.65 58.18 1umn h GLN 130 Cb 0.71 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1umn h GLN 130 CO 0.05 0.91 -0.10 0.87 -2.65 0.00 0.00 178.83 177.91 1umn h LYS 131 N 0.79 0.57 -0.89 1.69 1.57 -0.78 -1.50 116.57 118.02 1umn h LYS 131 Ca 0.14 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1umn h LYS 131 Cb 0.58 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.80 1umn h LYS 131 CO 0.04 0.79 0.57 0.78 -0.57 0.00 0.00 179.45 181.05 1umn h GLY 132 N 0.33 1.34 1.01 3.86 0.00 -0.75 0.85 103.07 109.70 1umn h GLY 132 Ca 0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1umn h GLY 132 CO 0.03 0.30 -0.20 -2.75 0.00 0.00 0.00 176.54 173.93 1umn h PHE 133 N 1.05 -0.52 -0.15 5.60 3.57 -0.79 -1.06 116.94 124.64 1umn h PHE 133 Ca 0.38 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.90 1umn h PHE 133 Cb 0.13 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1umn h PHE 133 CO -0.02 -0.32 -0.05 -0.44 -2.23 0.00 0.00 178.31 175.25 1umn h ASP 134 N -0.56 -0.17 -0.09 0.41 3.32 -0.72 0.51 116.42 119.12 1umn h ASP 134 Ca -0.06 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1umn h ASP 134 Cb 0.43 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 1umn h ASP 134 CO 0.09 -0.06 0.04 0.58 -1.72 0.00 0.00 179.24 178.17 1umn h VAL 135 N -0.02 1.12 -0.19 -1.35 2.07 -0.83 -0.95 116.25 116.10 1umn h VAL 135 Ca 0.07 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1umn h VAL 135 Cb 0.13 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1umn h VAL 135 CO -0.16 0.11 -0.18 0.77 0.02 0.00 0.00 177.57 178.12 1umn h SER 136 N 0.02 0.31 -0.46 0.57 4.64 -1.10 -2.04 113.55 115.49 1umn h SER 136 Ca 0.03 -0.08 -0.13 0.00 -0.47 0.00 0.00 61.79 61.14 1umn h SER 136 Cb 0.13 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1umn h SER 136 CO -0.00 0.52 -0.22 -0.78 -0.87 0.00 0.00 176.83 175.47 1umn h ASP 137 N 0.30 1.00 0.33 4.97 3.58 -0.71 0.15 116.42 126.04 1umn h ASP 137 Ca 0.05 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1umn h ASP 137 Cb 0.50 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1umn h ASP 137 CO 0.03 1.18 -0.27 -0.08 -2.88 0.00 0.00 179.24 177.23 1umn h GLU 138 N 0.82 0.00 -0.03 0.28 4.81 -0.73 -2.53 114.58 117.20 1umn h GLU 138 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1umn h GLU 138 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1umn h GLU 138 CO 0.07 0.27 0.00 0.39 -0.73 0.00 0.00 179.01 179.01 1umn n GLU 139 N -4.07 1.88 -1.02 1.92 1.02 -0.81 -4.94 120.64 114.62 1umn n GLU 139 Ca -0.02 -1.28 -0.01 0.00 -0.02 0.00 0.00 57.16 55.83 1umn n GLU 139 Cb 0.33 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.23 0.48 3.46 0.62 0.00 -0.83 -4.93 105.19 105.23 1umn n GLY 140 Ca 0.17 -0.33 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.33 6.99 0.38 1.61 -1.08 -0.02 -4.84 116.67 117.39 1umn s ASP 141 Ca 0.00 -2.83 0.06 0.00 -0.52 0.00 0.00 52.55 49.27 1umn s ASP 141 Cb 0.00 -2.41 0.77 0.00 -1.46 0.00 0.00 42.92 39.82 1umn s ASP 141 CO 0.00 -0.81 1.98 0.77 0.52 0.00 0.00 175.17 177.64 1umn h SER 142 N 7.44 0.45 0.29 -0.34 4.64 -1.93 -1.48 113.55 122.62 1umn h SER 142 Ca 0.29 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 1umn h SER 142 Cb 0.90 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1umn h SER 142 CO 1.23 0.42 -0.14 0.58 -0.87 0.00 0.00 176.83 178.05 1umn h VAL 143 N 0.50 0.75 -0.88 0.95 2.07 -1.96 -1.29 116.25 116.39 1umn h VAL 143 Ca 0.12 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1umn h VAL 143 Cb 0.11 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1umn h VAL 143 CO -0.01 0.08 0.58 0.74 0.02 0.00 0.00 177.57 178.98 1umn h THR 144 N -0.60 1.11 -0.51 2.57 2.02 -1.93 -2.13 112.91 113.44 1umn h THR 144 Ca -0.04 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.80 1umn h THR 144 Cb 0.43 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1umn h THR 144 CO 0.06 0.19 0.30 -1.13 0.37 0.00 0.00 175.52 175.32 1umn h ASN 145 N 1.05 0.49 -0.22 4.18 -0.73 -1.05 -2.37 115.58 116.94 1umn h ASN 145 Ca 0.36 0.00 -0.11 0.00 1.87 0.00 0.00 56.30 58.43 1umn h ASN 145 Cb 0.10 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1umn h ASN 145 CO -0.12 0.35 -0.23 -0.78 -0.37 0.00 0.00 177.43 176.28 1umn h ASP 146 N 0.61 0.69 -0.52 1.15 1.82 -0.64 -2.05 116.42 117.48 1umn h ASP 146 Ca 0.21 -0.24 0.03 0.00 -0.39 0.00 0.00 57.03 56.63 1umn h ASP 146 Cb 0.02 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.81 1umn h ASP 146 CO -0.09 0.91 0.30 0.40 -1.61 0.00 0.00 179.24 179.15 1umn h ILE 147 N 0.60 1.04 -0.34 2.25 2.04 -0.96 -0.58 117.51 121.56 1umn h ILE 147 Ca 0.08 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.62 1umn h ILE 147 Cb 0.71 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1umn h ILE 147 CO 0.05 0.11 -0.28 -0.26 0.00 0.00 0.00 178.15 177.78 1umn h PHE 148 N 0.60 0.80 -0.51 1.37 -1.00 -1.31 -2.61 116.94 114.28 1umn h PHE 148 Ca 0.21 -0.20 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1umn h PHE 148 Cb 0.04 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1umn h PHE 148 CO -0.07 0.90 0.12 -0.97 -1.61 0.00 0.00 178.31 176.68 1umn h ASN 149 N 0.60 0.78 -0.41 2.17 -0.00 -0.80 -0.16 115.58 117.76 1umn h ASN 149 Ca 0.08 -0.24 -0.10 0.00 -0.00 0.00 0.00 56.30 56.04 1umn h ASN 149 Cb 0.78 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 1umn h ASN 149 CO 0.06 0.82 -0.13 0.58 -0.00 0.00 0.00 177.43 178.76 1umn h VAL 150 N 0.71 1.28 -0.20 2.57 2.07 -1.11 -2.14 116.25 119.43 1umn h VAL 150 Ca 0.16 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1umn h VAL 150 Cb 0.35 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1umn h VAL 150 CO 0.00 0.42 0.09 0.00 0.02 0.00 0.00 177.57 178.10 1umn h ALA 151 N 0.84 0.26 -0.73 1.67 0.00 -1.32 -2.73 119.26 117.25 1umn h ALA 151 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1umn h ALA 151 Cb 0.68 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1umn h ALA 151 CO 0.05 -0.16 0.42 -0.22 0.00 0.00 0.00 179.25 179.34 1umn h LYS 152 N 0.19 0.74 -0.46 0.00 3.64 -0.99 -1.68 116.57 118.00 1umn h LYS 152 Ca 0.07 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1umn h LYS 152 Cb 0.15 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1umn h LYS 152 CO -0.01 0.49 0.19 0.00 -2.27 0.00 0.00 179.45 177.86 1umn h ALA 153 N 1.37 0.57 -0.31 5.00 0.00 -1.15 -0.74 119.26 124.00 1umn h ALA 153 Ca 0.33 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 1umn h ALA 153 Cb 0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1umn h ALA 153 CO -0.18 -0.19 -0.51 0.66 0.00 0.00 0.00 179.25 179.03 1umn h SER 154 N 0.38 0.96 -0.48 0.00 4.64 -1.15 -2.37 113.55 115.55 1umn h SER 154 Ca 0.21 -0.50 -0.05 0.00 -0.47 0.00 0.00 61.79 60.98 1umn h SER 154 Cb 0.18 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 1umn h SER 154 CO -0.19 1.29 0.11 0.40 -0.87 0.00 0.00 176.83 177.57 1umn h ILE 155 N 0.68 1.23 -0.23 0.95 1.08 -1.08 -1.33 117.51 118.81 1umn h ILE 155 Ca 0.03 -0.85 -0.11 0.00 -0.39 0.00 0.00 64.86 63.54 1umn h ILE 155 Cb 1.11 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1umn h ILE 155 CO 0.11 0.31 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.23 1umn h GLU 156 N 0.80 0.48 -0.46 2.37 5.08 -1.06 -1.11 114.58 120.67 1umn h GLU 156 Ca 0.17 -0.21 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1umn h GLU 156 Cb 0.32 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1umn h GLU 156 CO 0.00 0.76 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.50 1umn h LYS 157 N 0.42 0.80 -0.29 2.33 3.64 -0.86 -2.47 116.57 120.14 1umn h LYS 157 Ca 0.05 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1umn h LYS 157 Cb 0.78 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1umn h LYS 157 CO 0.06 0.84 -0.26 0.45 -2.27 0.00 0.00 179.45 178.28 1umn h HIS 158 N 0.74 0.64 -0.72 1.91 3.86 -0.67 -2.64 115.15 118.28 1umn h HIS 158 Ca 0.13 -0.14 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 1umn h HIS 158 Cb 0.52 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 1umn h HIS 158 CO 0.03 0.77 0.25 0.82 0.86 0.00 0.00 177.93 180.65 1umn h ILE 159 N 0.50 1.25 -0.28 2.45 2.04 -0.83 -0.65 117.51 121.98 1umn h ILE 159 Ca 0.07 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1umn h ILE 159 Cb 0.71 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1umn h ILE 159 CO 0.05 0.33 0.18 -0.25 0.00 0.00 0.00 178.15 178.46 1umn h TRP 160 N 1.05 0.36 -0.37 1.37 7.01 -1.20 0.29 115.95 124.47 1umn h TRP 160 Ca 0.24 0.00 -0.08 0.00 2.11 0.00 0.00 58.89 61.15 1umn h TRP 160 Cb 0.26 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1umn h TRP 160 CO 0.02 0.25 -0.10 0.52 -2.79 0.00 0.00 178.44 176.35 1umn h MET 161 N 0.37 0.72 -0.36 2.65 2.86 -1.15 -0.10 114.93 119.92 1umn h MET 161 Ca 0.10 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 1umn h MET 161 Cb -0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1umn h MET 161 CO -0.02 0.87 0.16 -0.07 1.06 0.00 0.00 176.91 178.91 1umn h LEU 162 N 0.51 0.49 -0.94 1.22 3.38 -1.05 -0.89 115.31 118.02 1umn h LEU 162 Ca 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1umn h LEU 162 Cb 0.61 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 1umn h LEU 162 CO 0.04 0.50 0.47 1.56 0.09 0.00 0.00 178.44 181.10 1umn h GLN 163 N 0.44 1.21 -0.60 1.13 1.08 -0.83 -1.93 115.11 115.62 1umn h GLN 163 Ca 0.12 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1umn h GLN 163 Cb 0.16 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 1umn h GLN 163 CO -0.01 0.89 0.22 0.00 -0.95 0.00 0.00 178.83 178.98 1umn h ALA 164 N 1.29 0.78 -0.62 3.87 0.00 -0.73 0.31 119.26 124.16 1umn h ALA 164 Ca 0.30 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1umn h ALA 164 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1umn h ALA 164 CO -0.05 0.42 0.41 1.49 0.00 0.00 0.00 179.25 181.52 1umn h GLU 165 N 0.84 0.76 -0.13 0.00 4.57 -0.72 0.20 114.58 120.10 1umn h GLU 165 Ca 0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1umn h GLU 165 Cb 0.24 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1umn h GLU 165 CO -0.01 0.50 0.00 1.28 -1.18 0.00 0.00 179.01 179.60 1umn n LEU 166 N -4.45 0.84 -0.70 1.64 4.77 -0.67 -4.91 117.00 113.52 1umn n LEU 166 Ca 0.07 -0.39 -0.09 0.00 -0.03 0.00 0.00 56.01 55.56 1umn n LEU 166 Cb 0.09 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1umn n LEU 166 CO 0.35 0.20 -0.09 0.61 -1.33 0.00 0.00 177.39 177.13 1umn n GLY 167 N 0.85 1.08 3.57 -0.72 0.00 0.70 -5.02 105.19 105.64 1umn n GLY 167 Ca 0.10 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.72 1.87 0.72 1.61 -0.21 0.98 -4.97 119.66 116.95 1umn s GLN 168 Ca 0.00 -1.95 -0.11 0.00 0.02 0.00 0.00 55.36 53.32 1umn s GLN 168 Cb 0.00 -1.72 0.03 0.00 1.00 0.00 0.00 33.01 32.32 1umn s GLN 168 CO 0.00 0.10 1.09 0.00 -2.12 0.00 0.00 175.29 174.36 1umn s ALA 169 N -2.62 2.69 0.24 6.09 0.00 -1.26 -3.19 121.76 123.71 1umn s ALA 169 Ca 0.33 -0.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1umn s ALA 169 Cb 0.04 -3.07 0.27 0.00 0.00 0.00 0.00 23.12 20.35 1umn s ALA 169 CO 0.17 -1.28 1.89 -1.35 0.00 0.00 0.00 175.76 175.18 1umn h PRO 170 N -0.76 1.10 -6.28 0.00 0.11 -1.87 -3.46 132.00 120.84 1umn h PRO 170 Ca -0.45 -0.07 -0.46 0.00 0.11 0.00 0.00 66.00 65.13 1umn h PRO 170 Cb 1.25 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1umn h PRO 170 CO 0.62 0.73 -0.83 1.63 -0.21 0.00 0.00 178.00 179.94 1umn n LYS 171 N -4.51 -4.56 0.00 1.05 5.02 -1.26 -4.86 118.16 109.04 1umn n LYS 171 Ca 0.11 0.55 0.03 0.00 -2.02 0.00 0.00 58.31 56.98 1umn n LYS 171 Cb 0.08 -5.09 0.20 0.00 -0.02 0.00 0.00 35.03 30.20 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16