#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1umn n ALA 23 N 0.00 2.19 -3.63 -1.18 0.00 -1.26 -4.81 120.51 111.81 1umn n ALA 23 Ca 0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1umn n ALA 23 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 1umn n ALA 23 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1umn s ASP 24 N -2.88 -0.18 0.20 0.00 3.84 -1.26 -5.04 116.67 111.36 1umn s ASP 24 Ca 0.15 -0.75 -0.11 0.00 -0.00 0.00 0.00 52.55 51.84 1umn s ASP 24 Cb 0.17 0.69 0.27 0.00 -1.38 0.00 0.00 42.92 42.66 1umn s ASP 24 CO 0.44 -1.30 1.69 0.28 -0.00 0.00 0.00 175.17 176.28 1umn h SER 25 N 2.08 -0.12 -0.90 2.11 0.02 -1.91 -1.27 113.55 113.57 1umn h SER 25 Ca -0.22 0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1umn h SER 25 Cb 1.25 0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.94 1umn h SER 25 CO 0.28 -0.04 0.59 0.11 -1.14 0.00 0.00 176.83 176.63 1umn h LYS 26 N 0.19 1.18 -0.48 3.45 1.57 -1.97 0.84 116.57 121.35 1umn h LYS 26 Ca 0.30 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1umn h LYS 26 Cb 0.46 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1umn h LYS 26 CO -0.44 0.78 0.13 0.00 -0.57 0.00 0.00 179.45 179.36 1umn h ALA 27 N 1.33 0.63 -0.12 3.86 0.00 -1.67 -1.42 119.26 121.87 1umn h ALA 27 Ca 0.33 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 1umn h ALA 27 Cb -0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1umn h ALA 27 CO -0.07 0.31 -0.59 -0.24 0.00 0.00 0.00 179.25 178.66 1umn h VAL 28 N 0.65 1.35 -0.90 0.00 3.04 -0.89 -1.01 116.25 118.50 1umn h VAL 28 Ca 0.15 -1.90 -0.02 0.00 -1.01 0.00 0.00 66.70 63.93 1umn h VAL 28 Cb 0.31 1.90 -0.04 0.00 -2.01 0.00 0.00 31.29 31.45 1umn h VAL 28 CO -0.00 0.58 0.50 -0.07 -1.01 0.00 0.00 177.57 177.56 1umn h LEU 29 N 0.30 1.12 -0.56 3.16 3.38 -0.61 -1.37 115.31 120.72 1umn h LEU 29 Ca -0.00 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 1umn h LEU 29 Cb 1.12 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1umn h LEU 29 CO 0.10 0.89 -0.51 -1.13 0.09 0.00 0.00 178.44 177.88 1umn h ASN 30 N 1.25 0.62 -0.71 -0.43 -1.24 -0.97 -1.56 115.58 112.55 1umn h ASN 30 Ca 0.32 -0.31 0.03 0.00 0.71 0.00 0.00 56.30 57.04 1umn h ASN 30 Cb 0.02 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 1umn h ASN 30 CO -0.05 1.01 0.44 -0.61 -1.29 0.00 0.00 177.43 176.94 1umn h GLN 31 N 0.44 0.84 -0.76 6.67 5.75 -0.74 -1.41 115.11 125.90 1umn h GLN 31 Ca 0.02 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1umn h GLN 31 Cb 1.04 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 1umn h GLN 31 CO 0.10 0.56 0.27 0.00 -2.65 0.00 0.00 178.83 177.11 1umn h ALA 32 N 1.30 1.00 -0.56 3.38 0.00 -0.93 0.10 119.26 123.56 1umn h ALA 32 Ca 0.28 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1umn h ALA 32 Cb 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1umn h ALA 32 CO -0.11 0.65 0.29 0.28 0.00 0.00 0.00 179.25 180.37 1umn h VAL 33 N 1.12 0.96 -0.04 0.00 2.07 -0.44 0.74 116.25 120.66 1umn h VAL 33 Ca 0.25 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1umn h VAL 33 Cb 0.26 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1umn h VAL 33 CO -0.01 0.10 -0.00 0.00 0.02 0.00 0.00 177.57 177.68 1umn h ALA 34 N 1.30 0.06 -0.53 1.67 0.00 -0.72 -2.08 119.26 118.95 1umn h ALA 34 Ca 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1umn h ALA 34 Cb 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1umn h ALA 34 CO -0.16 -0.27 0.02 -0.44 0.00 0.00 0.00 179.25 178.40 1umn h ASP 35 N -0.23 0.85 -0.25 0.00 3.32 -0.43 -2.08 116.42 117.60 1umn h ASP 35 Ca 0.01 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1umn h ASP 35 Cb 0.33 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1umn h ASP 35 CO 0.00 0.90 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.25 1umn h LEU 36 N 0.83 0.63 -0.59 1.55 3.38 0.47 0.20 115.31 121.78 1umn h LEU 36 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1umn h LEU 36 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1umn h LEU 36 CO 0.02 0.77 0.06 0.28 0.09 0.00 0.00 178.44 179.66 1umn h SER 37 N 0.59 0.97 0.10 -0.43 0.02 -0.90 -1.37 113.55 112.53 1umn h SER 37 Ca 0.11 -0.28 -0.20 0.00 -0.84 0.00 0.00 61.79 60.58 1umn h SER 37 Cb 0.53 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1umn h SER 37 CO 0.03 1.00 -0.73 0.58 -1.14 0.00 0.00 176.83 176.57 1umn h VAL 38 N 0.90 1.34 -0.90 2.27 2.07 -1.15 -2.85 116.25 117.93 1umn h VAL 38 Ca 0.17 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.64 1umn h VAL 38 Cb 0.47 2.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1umn h VAL 38 CO 0.02 0.63 0.59 0.00 0.02 0.00 0.00 177.57 178.83 1umn h ALA 39 N 0.81 1.14 -0.62 1.67 0.00 -0.79 -0.87 119.26 120.61 1umn h ALA 39 Ca -0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1umn h ALA 39 Cb 1.32 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1umn h ALA 39 CO 0.14 0.55 0.31 1.25 0.00 0.00 0.00 179.25 181.50 1umn h HIS 40 N 1.22 0.89 -0.61 0.00 6.17 -1.19 -0.05 115.15 121.58 1umn h HIS 40 Ca 0.33 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.35 1umn h HIS 40 Cb -0.13 -0.28 -0.03 0.00 2.52 0.00 0.00 27.41 29.50 1umn h HIS 40 CO -0.01 0.66 0.31 1.03 0.71 0.00 0.00 177.93 180.64 1umn h SER 41 N 0.85 0.78 -0.30 3.26 0.87 -1.15 -0.81 113.55 117.06 1umn h SER 41 Ca 0.22 -0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1umn h SER 41 Cb 0.10 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 1umn h SER 41 CO -0.03 0.67 0.01 0.40 -0.53 0.00 0.00 176.83 177.35 1umn h ILE 42 N 0.83 1.25 -0.83 2.23 2.04 -0.85 -0.50 117.51 121.68 1umn h ILE 42 Ca 0.21 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1umn h ILE 42 Cb 0.09 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1umn h ILE 42 CO -0.03 0.30 0.55 -0.07 0.00 0.00 0.00 178.15 178.90 1umn h LEU 43 N 0.32 0.94 -0.38 1.44 3.38 -0.84 -0.32 115.31 119.85 1umn h LEU 43 Ca 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1umn h LEU 43 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1umn h LEU 43 CO 0.01 0.67 0.10 -0.74 0.09 0.00 0.00 178.44 178.58 1umn h HIS 44 N 1.11 0.62 -0.40 1.13 2.76 -0.78 -0.31 115.15 119.27 1umn h HIS 44 Ca 0.31 -0.07 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 1umn h HIS 44 Cb -0.09 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 1umn h HIS 44 CO -0.00 0.61 0.10 0.37 -1.30 0.00 0.00 177.93 177.71 1umn h GLN 45 N 0.46 0.24 -0.60 5.26 4.15 -0.29 0.96 115.11 125.29 1umn h GLN 45 Ca 0.12 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1umn h GLN 45 Cb 0.29 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 1umn h GLN 45 CO -0.00 0.16 0.36 0.28 -1.93 0.00 0.00 178.83 177.70 1umn h VAL 46 N 0.24 1.07 -0.58 2.39 2.07 -0.71 -0.16 116.25 120.58 1umn h VAL 46 Ca 0.19 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1umn h VAL 46 Cb 0.21 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1umn h VAL 46 CO -0.23 0.13 0.37 -0.74 0.02 0.00 0.00 177.57 177.12 1umn h HIS 47 N 0.71 0.69 -0.03 1.57 -0.00 -0.21 -2.30 115.15 115.58 1umn h HIS 47 Ca 0.24 0.02 -0.25 0.00 -0.00 0.00 0.00 60.37 60.38 1umn h HIS 47 Cb 0.03 -0.23 0.02 0.00 -0.00 0.00 0.00 27.41 27.22 1umn h HIS 47 CO -0.06 0.42 -0.94 -1.49 -0.00 0.00 0.00 177.93 175.86 1umn h TRP 48 N 0.74 1.01 -0.01 5.26 6.55 -0.39 -3.36 115.95 125.75 1umn h TRP 48 Ca 0.22 -0.53 0.00 0.00 0.95 0.00 0.00 58.89 59.54 1umn h TRP 48 Cb -0.04 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1umn h TRP 48 CO -0.04 1.36 -0.24 0.66 -1.05 0.00 0.00 178.44 179.12 1umn n TYR 49 N -3.92 0.00 -1.70 0.49 4.02 -0.11 -4.97 117.16 110.97 1umn n TYR 49 Ca -0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.35 1umn n TYR 49 Cb 0.83 -0.09 -0.02 0.00 -0.02 0.00 0.00 39.34 40.04 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 -0.45 2.29 -3.75 -0.72 1.56 -0.87 -4.41 117.12 110.78 1umn n MET 50 Ca 0.13 0.81 -0.13 0.00 -0.27 0.00 0.00 57.70 58.24 1umn n MET 50 Cb 0.37 -2.51 -0.10 0.00 2.15 0.00 0.00 33.22 33.12 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 -0.62 0.42 0.00 2.12 0.52 -1.26 -5.04 118.95 115.09 1umn s ARG 51 Ca 0.65 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 1umn s ARG 51 Cb -0.58 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.08 1umn s ARG 51 CO 0.51 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.18 1umn n GLY 52 N 2.96 3.71 3.69 -3.53 0.00 -1.26 -3.74 105.19 107.03 1umn n GLY 52 Ca -0.14 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.48 2.66 0.00 1.61 5.12 -1.26 -1.44 116.66 121.87 1umn n ARG 53 Ca 0.00 0.97 0.00 0.00 -1.93 0.00 0.00 57.85 56.89 1umn n ARG 53 Cb 0.00 -2.83 0.00 0.00 -1.16 0.00 0.00 32.46 28.47 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 4.08 1.31 0.25 -0.13 0.00 -1.26 -4.96 105.19 104.48 1umn n GLY 54 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.53 -0.35 1.61 3.57 -1.61 0.13 116.94 119.75 1umn h PHE 55 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1umn h PHE 55 Cb 0.00 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1umn h PHE 55 CO 0.00 -0.29 0.32 1.98 -2.23 0.00 0.00 178.31 178.09 1umn h MET 56 N -0.16 0.00 0.04 1.11 4.05 -1.94 0.24 114.93 118.27 1umn h MET 56 Ca 0.18 0.00 -0.38 0.00 -0.28 0.00 0.00 59.70 59.22 1umn h MET 56 Cb 0.43 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 1umn h MET 56 CO -0.45 0.00 -2.32 1.51 0.23 0.00 0.00 176.91 175.88 1umn n ILE 57 N -3.99 1.59 0.10 1.77 0.13 -0.80 -4.47 119.36 113.68 1umn n ILE 57 Ca 0.06 -0.60 -0.03 0.00 -1.10 0.00 0.00 62.75 61.08 1umn n ILE 57 Cb 0.49 -1.52 -0.05 0.00 -0.84 0.00 0.00 39.64 37.71 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 0.02 0.00 0.17 9.51 4.06 -0.23 -3.00 115.95 126.49 1umn h TRP 58 Ca -0.53 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.42 1umn h TRP 58 Cb 1.95 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.09 1umn h TRP 58 CO 0.05 0.76 -0.16 1.25 -3.56 0.00 0.00 178.44 176.78 1umn h HIS 59 N 0.00 -0.40 0.00 0.49 2.76 -0.75 -1.68 115.15 115.57 1umn h HIS 59 Ca -0.01 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 1umn h HIS 59 Cb 1.59 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.70 1umn h HIS 59 CO 0.00 -0.24 -0.40 -1.35 -1.30 0.00 0.00 177.93 174.64 1umn h PRO 60 N -0.35 0.00 -0.26 5.26 0.11 -1.77 -2.63 132.00 132.36 1umn h PRO 60 Ca -0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1umn h PRO 60 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1umn h PRO 60 CO -0.03 0.40 -0.01 -0.22 -0.21 0.00 0.00 178.00 177.93 1umn h LYS 61 N 0.00 0.39 -0.31 1.05 1.63 -1.31 -1.43 116.57 116.59 1umn h LYS 61 Ca -0.00 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.67 1umn h LYS 61 Cb 0.72 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.27 1umn h LYS 61 CO 0.05 0.42 -0.03 0.52 -3.45 0.00 0.00 179.45 176.96 1umn h MET 62 N 0.38 0.48 -0.44 1.90 2.86 -0.93 -0.57 114.93 118.61 1umn h MET 62 Ca 0.08 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1umn h MET 62 Cb 0.27 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 1umn h MET 62 CO 0.01 0.53 -0.17 0.22 1.06 0.00 0.00 176.91 178.56 1umn h ASP 63 N 0.46 0.85 -0.24 1.22 3.58 -1.30 0.16 116.42 121.14 1umn h ASP 63 Ca 0.10 -0.29 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 1umn h ASP 63 Cb 0.35 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 1umn h ASP 63 CO 0.01 1.01 0.05 -0.33 -2.88 0.00 0.00 179.24 177.10 1umn h GLU 64 N 0.74 0.39 -0.72 0.28 5.08 -0.89 -1.11 114.58 118.35 1umn h GLU 64 Ca 0.11 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1umn h GLU 64 Cb 0.69 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1umn h GLU 64 CO 0.05 0.51 0.48 1.88 -1.00 0.00 0.00 179.01 180.93 1umn h TYR 65 N 0.21 0.90 -0.92 4.33 0.99 -0.86 -0.51 116.97 121.11 1umn h TYR 65 Ca 0.07 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.83 1umn h TYR 65 Cb 0.30 -0.31 -0.05 0.00 1.00 0.00 0.00 36.73 37.68 1umn h TYR 65 CO 0.02 0.56 0.61 0.52 -0.00 0.00 0.00 178.16 179.87 1umn h MET 66 N 0.97 1.22 -0.66 4.88 2.86 -0.80 0.11 114.93 123.51 1umn h MET 66 Ca 0.27 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 1umn h MET 66 Cb -0.10 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.25 1umn h MET 66 CO -0.06 0.81 0.33 1.49 1.06 0.00 0.00 176.91 180.53 1umn h GLU 67 N 1.25 0.95 -0.66 1.72 4.81 -0.32 0.78 114.58 123.11 1umn h GLU 67 Ca 0.34 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1umn h GLU 67 Cb -0.14 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.03 1umn h GLU 67 CO -0.07 0.75 0.21 1.49 -0.73 0.00 0.00 179.01 180.65 1umn h GLU 68 N 0.92 1.03 -0.35 1.92 4.81 -0.30 -1.36 114.58 121.25 1umn h GLU 68 Ca 0.23 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1umn h GLU 68 Cb 0.10 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1umn h GLU 68 CO -0.03 0.90 0.23 0.82 -0.73 0.00 0.00 179.01 180.19 1umn h ILE 69 N 0.96 1.10 -0.71 2.32 1.08 -0.35 -1.44 117.51 120.47 1umn h ILE 69 Ca 0.21 -0.19 0.07 0.00 -0.39 0.00 0.00 64.86 64.56 1umn h ILE 69 Cb 0.30 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 34.60 1umn h ILE 69 CO -0.01 0.09 0.47 0.44 -0.69 0.00 0.00 178.15 178.46 1umn h ASP 70 N 0.47 0.64 -0.37 1.72 3.45 -0.51 -1.32 116.42 120.50 1umn h ASP 70 Ca 0.13 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.57 1umn h ASP 70 Cb -0.04 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.58 1umn h ASP 70 CO -0.03 0.41 0.16 1.23 -1.57 0.00 0.00 179.24 179.45 1umn h GLY 71 N 0.73 0.59 1.16 2.75 0.00 -0.23 0.15 103.07 108.21 1umn h GLY 71 Ca 0.31 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 1umn h GLY 71 CO -0.10 0.29 0.20 -0.97 0.00 0.00 0.00 176.54 175.95 1umn h TYR 72 N 0.46 1.09 -0.69 5.60 0.05 -0.66 -1.74 116.97 121.09 1umn h TYR 72 Ca 0.13 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 1umn h TYR 72 Cb 0.15 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 1umn h TYR 72 CO -0.01 0.88 0.42 1.25 -1.05 0.00 0.00 178.16 179.64 1umn h LEU 73 N 1.01 0.82 0.24 3.88 5.85 -0.84 0.60 115.31 126.88 1umn h LEU 73 Ca 0.22 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1umn h LEU 73 Cb 0.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1umn h LEU 73 CO -0.00 0.64 -0.21 0.44 -0.34 0.00 0.00 178.44 178.97 1umn h ASP 74 N 0.93 -0.55 -0.51 1.25 3.32 -0.40 0.11 116.42 120.57 1umn h ASP 74 Ca 0.25 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1umn h ASP 74 Cb -0.03 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1umn h ASP 74 CO -0.05 -0.32 0.32 -0.33 -1.72 0.00 0.00 179.24 177.15 1umn h GLU 75 N -0.47 0.69 -0.09 3.56 5.08 -1.09 -1.63 114.58 120.64 1umn h GLU 75 Ca -0.01 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 1umn h GLU 75 Cb 0.43 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1umn h GLU 75 CO -0.03 0.48 -0.82 0.52 -1.00 0.00 0.00 179.01 178.17 1umn h MET 76 N 0.69 0.71 -0.41 2.33 2.86 -0.77 -1.89 114.93 118.45 1umn h MET 76 Ca 0.19 -0.65 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 1umn h MET 76 Cb -0.04 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1umn h MET 76 CO -0.04 1.25 0.07 0.66 1.06 0.00 0.00 176.91 179.91 1umn h SER 77 N 0.40 0.64 -0.75 1.22 4.64 -0.79 -1.40 113.55 117.52 1umn h SER 77 Ca -0.08 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1umn h SER 77 Cb 1.47 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 1umn h SER 77 CO 0.17 0.73 0.23 -0.33 -0.87 0.00 0.00 176.83 176.76 1umn h GLU 78 N 0.52 1.16 -0.63 4.77 5.08 -1.33 -1.28 114.58 122.88 1umn h GLU 78 Ca 0.12 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1umn h GLU 78 Cb 0.36 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1umn h GLU 78 CO 0.01 0.99 0.07 -0.09 -1.00 0.00 0.00 179.01 178.98 1umn h ARG 79 N 1.11 1.06 -0.59 2.33 9.65 -1.20 0.08 114.38 126.83 1umn h ARG 79 Ca 0.24 -0.30 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1umn h ARG 79 Cb 0.31 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 1umn h ARG 79 CO -0.01 1.00 0.33 1.25 2.80 0.00 0.00 179.97 185.34 1umn h LEU 80 N 0.97 0.73 -0.41 3.80 5.85 -0.89 -0.77 115.31 124.59 1umn h LEU 80 Ca 0.19 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1umn h LEU 80 Cb 0.48 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1umn h LEU 80 CO 0.02 0.61 0.19 0.40 -0.34 0.00 0.00 178.44 179.32 1umn h ILE 81 N 0.79 1.18 -0.51 4.05 2.04 -1.02 0.22 117.51 124.26 1umn h ILE 81 Ca 0.21 -0.51 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1umn h ILE 81 Cb 0.04 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1umn h ILE 81 CO -0.03 0.19 0.34 0.74 0.00 0.00 0.00 178.15 179.38 1umn h THR 82 N 0.52 1.12 0.00 -0.27 2.02 -0.59 -0.35 112.91 115.35 1umn h THR 82 Ca 0.14 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1umn h THR 82 Cb 0.13 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1umn h THR 82 CO -0.02 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.18 1umn n LEU 83 N -4.46 0.00 0.00 2.58 4.77 -0.33 -4.87 117.00 114.69 1umn n LEU 83 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1umn n LEU 83 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1umn n LEU 83 CO 0.35 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1umn n GLY 84 N 0.89 0.79 3.31 -0.72 0.00 -0.14 -5.07 105.19 104.25 1umn n GLY 84 Ca 0.21 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.39 -0.30 2.74 -0.02 0.00 0.73 -4.99 105.19 100.97 1umn n GLY 85 Ca 0.00 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 -3.51 1.32 0.47 4.61 0.00 -1.26 -4.46 121.76 118.93 1umn s ALA 86 Ca 0.60 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1umn s ALA 86 Cb -0.03 -1.43 -0.07 0.00 0.00 0.00 0.00 23.12 21.60 1umn s ALA 86 CO 0.41 -1.44 1.14 -1.25 0.00 0.00 0.00 175.76 174.62 1umn s PRO 87 N 1.72 3.74 0.28 0.00 0.04 -1.26 -4.95 135.00 134.57 1umn s PRO 87 Ca 0.04 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 1umn s PRO 87 Cb -0.17 -2.34 -0.13 0.00 0.04 0.00 0.00 34.50 31.90 1umn s PRO 87 CO -0.18 -0.55 1.42 1.19 0.04 0.00 0.00 177.00 178.92 1umn n PHE 88 N -0.60 2.35 -2.59 0.56 0.99 -1.26 -4.90 117.46 112.01 1umn n PHE 88 Ca 0.08 0.42 -0.00 0.00 -0.00 0.00 0.00 57.45 57.95 1umn n PHE 88 Cb 0.49 -2.48 0.04 0.00 -1.00 0.00 0.00 39.48 36.53 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 1.80 0.48 -3.88 4.37 3.41 -1.26 -4.93 113.62 113.60 1umn n SER 89 Ca 0.09 -2.05 -0.11 0.00 -0.26 0.00 0.00 58.87 56.55 1umn n SER 89 Cb 0.34 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.43 0.10 0.42 6.66 -4.23 -1.26 -5.05 115.64 110.85 1umn s THR 90 Ca 0.22 -0.83 0.11 0.00 -1.18 0.00 0.00 61.69 60.01 1umn s THR 90 Cb 0.32 -0.64 0.20 0.00 1.34 0.00 0.00 72.50 73.72 1umn s THR 90 CO -0.09 -0.46 1.99 -0.07 -0.54 0.00 0.00 174.62 175.45 1umn h LEU 91 N 3.96 0.21 -0.52 4.79 3.38 -1.99 -2.12 115.31 123.02 1umn h LEU 91 Ca -0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1umn h LEU 91 Cb 1.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 1umn h LEU 91 CO 0.44 0.29 0.28 0.50 0.09 0.00 0.00 178.44 180.05 1umn h LYS 92 N 0.23 0.73 -0.41 1.13 3.64 -1.99 -0.01 116.57 119.90 1umn h LYS 92 Ca 0.05 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1umn h LYS 92 Cb 0.22 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1umn h LYS 92 CO 0.01 0.57 0.00 0.93 -2.27 0.00 0.00 179.45 178.69 1umn h GLU 93 N 0.69 0.72 0.33 1.90 5.08 -1.84 -1.25 114.58 120.21 1umn h GLU 93 Ca 0.18 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1umn h GLU 93 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1umn h GLU 93 CO -0.03 0.81 -0.16 0.74 -1.00 0.00 0.00 179.01 179.37 1umn h PHE 94 N 0.55 -0.41 -0.60 4.33 0.05 -1.16 -1.06 116.94 118.64 1umn h PHE 94 Ca 0.12 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.91 1umn h PHE 94 Cb 0.48 0.14 -0.03 0.00 2.00 0.00 0.00 35.95 38.53 1umn h PHE 94 CO 0.04 -0.25 0.39 1.03 -0.18 0.00 0.00 178.31 179.33 1umn h SER 95 N -0.45 0.66 1.17 2.17 0.87 -0.98 0.22 113.55 117.20 1umn h SER 95 Ca -0.05 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.40 1umn h SER 95 Cb 0.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1umn h SER 95 CO 0.07 0.47 -0.47 -0.33 -0.53 0.00 0.00 176.83 176.04 1umn h GLU 96 N 0.78 0.00 0.00 2.24 5.08 -1.18 -3.32 114.58 118.18 1umn h GLU 96 Ca 0.23 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.32 1umn h GLU 96 Cb -0.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 1umn h GLU 96 CO -0.07 0.47 -1.79 0.09 -1.00 0.00 0.00 179.01 176.72 1umn n ASN 97 N -3.37 0.65 -4.77 1.42 3.02 -0.41 -4.93 115.26 106.88 1umn n ASN 97 Ca 0.01 0.30 -0.38 0.00 -0.03 0.00 0.00 54.58 54.48 1umn n ASN 97 Cb 0.64 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 40.12 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 -5.82 6.00 0.00 6.41 0.15 0.05 -4.89 113.70 115.61 1umn s SER 98 Ca -0.05 2.45 0.26 0.00 0.70 0.00 0.00 55.95 59.31 1umn s SER 98 Cb 0.08 -2.61 0.73 0.00 -1.71 0.00 0.00 66.02 62.51 1umn s SER 98 CO 0.83 -1.04 1.56 0.00 1.20 0.00 0.00 173.24 175.78 1umn n GLN 99 N -0.51 1.47 -3.07 5.44 6.02 -1.26 -4.88 117.38 120.60 1umn n GLN 99 Ca 0.07 -0.97 -0.36 0.00 -0.01 0.00 0.00 57.00 55.73 1umn n GLN 99 Cb 0.47 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 30.19 1umn n GLN 99 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1umn s LEU 100 N -2.20 4.33 0.02 1.08 1.43 -1.26 -5.07 118.68 117.01 1umn s LEU 100 Ca 0.31 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 54.92 1umn s LEU 100 Cb 0.20 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1umn s LEU 100 CO 0.41 0.01 -0.16 -0.54 0.23 0.00 0.00 176.35 176.30 1umn s LYS 101 N -2.02 2.21 0.07 1.70 -0.14 -1.26 -5.07 119.74 115.24 1umn s LYS 101 Ca 0.44 -0.90 0.08 0.00 -1.36 0.00 0.00 55.97 54.23 1umn s LYS 101 Cb -0.17 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.69 1umn s LYS 101 CO 0.21 0.56 -0.18 -1.21 -0.76 0.00 0.00 175.35 173.98 1umn s GLU 102 N -1.30 1.96 0.33 1.68 2.02 -1.26 -5.10 118.70 117.03 1umn s GLU 102 Ca 0.14 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 54.13 1umn s GLU 102 Cb -0.11 -2.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.90 1umn s GLU 102 CO 0.05 0.52 0.01 0.14 0.02 0.00 0.00 175.26 176.00 1umn s VAL 103 N -1.02 1.48 0.54 2.63 -7.23 -1.26 -5.12 120.40 110.42 1umn s VAL 103 Ca 0.16 -2.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.08 1umn s VAL 103 Cb -0.11 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1umn s VAL 103 CO 0.07 -0.09 1.30 -0.76 -0.31 0.00 0.00 175.10 175.32 1umn s LEU 104 N -3.52 3.86 0.36 1.32 1.43 -1.26 -4.95 118.68 115.92 1umn s LEU 104 Ca 0.34 2.63 -0.28 0.00 -1.03 0.00 0.00 54.13 55.80 1umn s LEU 104 Cb 0.08 -4.31 -0.10 0.00 0.03 0.00 0.00 46.19 41.89 1umn s LEU 104 CO 0.15 -1.46 1.33 -0.83 0.23 0.00 0.00 176.35 175.77 1umn s GLY 105 N -1.11 2.97 -0.16 -3.19 0.00 -1.26 -5.02 107.32 99.55 1umn s GLY 105 Ca 0.71 1.30 -0.04 0.00 0.00 0.00 0.00 44.72 46.68 1umn s GLY 105 CO 0.43 1.93 0.15 -0.35 0.00 0.00 0.00 173.10 175.26 1umn s ASP 106 N -0.51 1.69 0.26 1.64 -1.08 -1.26 -5.01 116.67 112.40 1umn s ASP 106 Ca 0.51 -0.30 0.21 0.00 -0.52 0.00 0.00 52.55 52.45 1umn s ASP 106 Cb -0.40 0.07 1.00 0.00 -1.46 0.00 0.00 42.92 42.13 1umn s ASP 106 CO 0.53 -0.32 1.63 -1.22 0.52 0.00 0.00 175.17 176.31 1umn n TYR 107 N 5.30 0.68 1.30 -5.34 4.02 -1.26 -2.50 117.16 119.36 1umn n TYR 107 Ca -0.06 0.32 0.13 0.00 -0.01 0.00 0.00 57.90 58.28 1umn n TYR 107 Cb 0.49 -1.01 0.48 0.00 -0.02 0.00 0.00 39.34 39.29 1umn n TYR 107 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1umn n ASN 108 N -2.17 0.73 -4.75 7.72 3.02 -1.26 -4.64 115.26 113.91 1umn n ASN 108 Ca 0.00 -0.69 -0.41 0.00 -0.03 0.00 0.00 54.58 53.45 1umn n ASN 108 Cb 0.11 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 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 -2.52 2.99 0.72 2.41 1.01 -1.04 -4.98 120.40 118.99 1umn s VAL 109 Ca 0.26 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.01 1umn s VAL 109 Cb 0.20 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1umn s VAL 109 CO 0.51 0.16 1.07 0.42 0.00 0.00 0.00 175.10 177.26 1umn s THR 110 N -0.41 3.80 0.16 3.92 -4.23 -1.26 -4.61 115.64 113.01 1umn s THR 110 Ca 0.54 0.59 -0.16 0.00 -1.18 0.00 0.00 61.69 61.47 1umn s THR 110 Cb -0.38 -3.38 0.04 0.00 1.34 0.00 0.00 72.50 70.12 1umn s THR 110 CO 0.44 -0.76 1.72 0.40 -0.54 0.00 0.00 174.62 175.87 1umn h ILE 111 N -0.77 0.78 -0.89 2.99 1.08 -1.93 -0.18 117.51 118.60 1umn h ILE 111 Ca -0.45 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1umn h ILE 111 Cb 1.23 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.55 1umn h ILE 111 CO 0.59 0.03 0.46 -0.33 -0.69 0.00 0.00 178.15 178.20 1umn h GLU 112 N 0.15 1.25 -0.58 2.37 3.07 -1.93 -1.09 114.58 117.82 1umn h GLU 112 Ca 0.17 -0.16 -0.05 0.00 -0.50 0.00 0.00 59.36 58.82 1umn h GLU 112 Cb 0.22 -0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 27.87 1umn h GLU 112 CO -0.25 0.94 0.18 0.93 -1.40 0.00 0.00 179.01 179.41 1umn h GLU 113 N 1.25 0.91 -0.21 2.33 5.08 -1.77 -0.90 114.58 121.26 1umn h GLU 113 Ca 0.31 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1umn h GLU 113 Cb 0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1umn h GLU 113 CO -0.04 0.81 0.14 1.96 -1.00 0.00 0.00 179.01 180.87 1umn h GLN 114 N 0.82 0.29 -0.73 2.33 1.08 -0.43 -0.79 115.11 117.67 1umn h GLN 114 Ca 0.19 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.33 1umn h GLN 114 Cb 0.28 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 1umn h GLN 114 CO -0.01 0.21 0.33 -0.07 -0.95 0.00 0.00 178.83 178.34 1umn h LEU 115 N 0.28 0.97 -1.22 1.46 3.38 -1.03 -1.48 115.31 117.66 1umn h LEU 115 Ca 0.08 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1umn h LEU 115 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1umn h LEU 115 CO -0.02 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.34 1umn h ALA 116 N 1.31 1.36 -0.51 1.53 0.00 -0.72 -0.64 119.26 121.59 1umn h ALA 116 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1umn h ALA 116 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1umn h ALA 116 CO -0.03 0.44 0.16 0.00 0.00 0.00 0.00 179.25 179.82 1umn h ARG 117 N 0.50 0.79 -0.66 0.00 3.08 -0.23 -1.50 114.38 116.35 1umn h ARG 117 Ca 0.11 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1umn h ARG 117 Cb 0.34 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1umn h ARG 117 CO 0.01 0.73 0.34 0.28 -1.07 0.00 0.00 179.97 180.26 1umn h VAL 118 N 0.69 1.22 -0.42 2.04 2.07 -0.60 -1.65 116.25 119.59 1umn h VAL 118 Ca 0.16 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1umn h VAL 118 Cb 0.27 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1umn h VAL 118 CO -0.01 0.25 0.23 0.58 0.02 0.00 0.00 177.57 178.65 1umn h VAL 119 N 0.91 1.02 -0.83 2.57 2.07 -0.79 -0.08 116.25 121.12 1umn h VAL 119 Ca 0.23 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 1umn h VAL 119 Cb 0.08 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1umn h VAL 119 CO -0.03 0.09 0.45 -0.33 0.02 0.00 0.00 177.57 177.76 1umn h GLU 120 N 0.47 1.15 -0.40 1.57 4.39 -0.87 0.20 114.58 121.09 1umn h GLU 120 Ca 0.17 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1umn h GLU 120 Cb 0.04 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1umn h GLU 120 CO -0.10 0.84 0.15 0.28 -1.16 0.00 0.00 179.01 179.03 1umn h VAL 121 N 1.16 1.20 -0.74 3.13 2.07 -0.70 -1.82 116.25 120.55 1umn h VAL 121 Ca 0.29 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1umn h VAL 121 Cb 0.03 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1umn h VAL 121 CO -0.05 0.23 0.27 -0.26 0.02 0.00 0.00 177.57 177.78 1umn h PHE 122 N 0.50 1.15 -0.85 1.57 -1.00 -0.42 -0.66 116.94 117.22 1umn h PHE 122 Ca 0.13 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 1umn h PHE 122 Cb 0.21 -0.34 -0.04 0.00 3.61 0.00 0.00 35.95 39.39 1umn h PHE 122 CO 0.00 0.89 0.42 0.00 -1.61 0.00 0.00 178.31 178.01 1umn h ARG 123 N 1.09 1.22 -0.24 1.51 3.08 -0.38 0.26 114.38 120.93 1umn h ARG 123 Ca 0.25 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1umn h ARG 123 Cb 0.25 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1umn h ARG 123 CO -0.02 0.93 0.06 -0.92 -1.07 0.00 0.00 179.97 178.95 1umn h TYR 124 N 1.21 0.40 -0.72 3.04 3.20 -0.74 -1.66 116.97 121.70 1umn h TYR 124 Ca 0.29 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1umn h TYR 124 Cb 0.10 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1umn h TYR 124 CO 0.01 0.47 0.47 -0.07 -1.64 0.00 0.00 178.16 177.41 1umn h LEU 125 N 0.21 0.81 -0.93 2.82 3.38 -0.72 0.14 115.31 121.02 1umn h LEU 125 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1umn h LEU 125 Cb 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1umn h LEU 125 CO 0.00 0.58 0.20 0.00 0.09 0.00 0.00 178.44 179.31 1umn h ALA 126 N 1.28 1.13 -0.39 1.53 0.00 -0.82 0.17 119.26 122.15 1umn h ALA 126 Ca 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1umn h ALA 126 Cb -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1umn h ALA 126 CO -0.07 0.60 0.13 0.00 0.00 0.00 0.00 179.25 179.90 1umn h ALA 127 N 1.26 0.52 -0.70 0.00 0.00 -0.52 -0.96 119.26 118.86 1umn h ALA 127 Ca 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1umn h ALA 127 Cb 0.27 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1umn h ALA 127 CO -0.01 0.16 0.37 1.25 0.00 0.00 0.00 179.25 181.02 1umn h LEU 128 N 0.49 0.88 -1.27 0.00 5.85 -0.16 -2.10 115.31 119.00 1umn h LEU 128 Ca 0.13 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1umn h LEU 128 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1umn h LEU 128 CO -0.00 0.74 0.01 -0.26 -0.34 0.00 0.00 178.44 178.58 1umn h PHE 129 N 0.96 0.51 -0.44 1.25 0.05 -0.37 -0.18 116.94 118.72 1umn h PHE 129 Ca 0.24 -0.05 -0.05 0.00 3.82 0.00 0.00 57.97 61.94 1umn h PHE 129 Cb 0.06 -0.15 -0.02 0.00 2.00 0.00 0.00 35.95 37.84 1umn h PHE 129 CO -0.00 0.50 0.08 0.37 -0.18 0.00 0.00 178.31 179.08 1umn h GLN 130 N 0.48 0.73 -0.67 1.51 5.75 -0.74 0.72 115.11 122.90 1umn h GLN 130 Ca 0.11 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1umn h GLN 130 Cb 0.30 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1umn h GLN 130 CO 0.01 0.75 0.36 0.87 -2.65 0.00 0.00 178.83 178.17 1umn h LYS 131 N 0.60 0.93 -0.87 1.69 6.56 -0.72 0.11 116.57 124.86 1umn h LYS 131 Ca 0.14 -0.11 -0.03 0.00 -1.06 0.00 0.00 60.65 59.59 1umn h LYS 131 Cb 0.37 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.81 1umn h LYS 131 CO 0.01 0.71 0.44 0.78 -2.06 0.00 0.00 179.45 179.32 1umn h GLY 132 N 0.91 1.33 0.98 3.86 0.00 -0.74 0.34 103.07 109.76 1umn h GLY 132 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1umn h GLY 132 CO -0.04 0.61 0.03 -2.75 0.00 0.00 0.00 176.54 174.39 1umn h PHE 133 N 1.24 0.05 0.03 5.60 3.57 -0.16 -1.72 116.94 125.55 1umn h PHE 133 Ca 0.30 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 1umn h PHE 133 Cb 0.09 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1umn h PHE 133 CO 0.01 0.03 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.67 1umn h ASP 134 N 0.06 -0.03 -0.18 0.41 3.32 -0.16 -1.09 116.42 118.75 1umn h ASP 134 Ca 0.02 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1umn h ASP 134 Cb -0.00 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1umn h ASP 134 CO -0.01 0.02 0.07 0.58 -1.72 0.00 0.00 179.24 178.18 1umn h VAL 135 N -0.09 0.97 -0.70 -1.35 2.07 -0.93 -0.47 116.25 115.76 1umn h VAL 135 Ca -0.00 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1umn h VAL 135 Cb 0.08 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1umn h VAL 135 CO 0.01 0.03 0.16 0.77 0.02 0.00 0.00 177.57 178.56 1umn h SER 136 N 0.16 1.07 -0.83 0.57 4.64 -1.29 -0.41 113.55 117.46 1umn h SER 136 Ca 0.07 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 1umn h SER 136 Cb 0.04 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.81 1umn h SER 136 CO -0.07 1.03 0.43 -0.78 -0.87 0.00 0.00 176.83 176.57 1umn h ASP 137 N 1.06 1.06 -0.56 4.97 3.58 -0.97 0.79 116.42 126.34 1umn h ASP 137 Ca 0.22 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1umn h ASP 137 Cb 0.38 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1umn h ASP 137 CO 0.00 0.87 0.31 -0.33 -2.88 0.00 0.00 179.24 177.22 1umn h GLU 138 N 1.16 0.78 -0.00 0.28 4.39 -0.44 -2.27 114.58 118.48 1umn h GLU 138 Ca 0.29 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1umn h GLU 138 Cb 0.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1umn h GLU 138 CO -0.04 0.59 -0.03 0.39 -1.16 0.00 0.00 179.01 178.76 1umn n GLU 139 N -4.61 0.39 -0.96 2.33 1.02 -0.22 -4.90 120.64 113.68 1umn n GLU 139 Ca 0.03 -0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1umn n GLU 139 Cb 0.08 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 1.32 0.48 3.51 0.62 0.00 0.09 -4.97 105.19 106.25 1umn n GLY 140 Ca 0.13 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.34 6.86 0.37 1.61 -1.08 -0.16 -4.84 116.67 117.09 1umn s ASP 141 Ca 0.00 -2.48 0.07 0.00 -0.52 0.00 0.00 52.55 49.62 1umn s ASP 141 Cb 0.00 -2.48 0.71 0.00 -1.46 0.00 0.00 42.92 39.69 1umn s ASP 141 CO 0.00 -1.03 1.91 0.77 0.52 0.00 0.00 175.17 177.34 1umn h SER 142 N 7.87 0.38 0.03 -0.34 4.64 -1.93 -1.66 113.55 122.54 1umn h SER 142 Ca 0.33 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1umn h SER 142 Cb 0.91 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1umn h SER 142 CO 1.32 0.46 -0.02 0.58 -0.87 0.00 0.00 176.83 178.31 1umn h VAL 143 N 0.39 1.12 -0.84 0.95 2.07 -1.97 -1.67 116.25 116.30 1umn h VAL 143 Ca 0.09 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1umn h VAL 143 Cb 0.30 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1umn h VAL 143 CO 0.01 0.12 0.46 0.74 0.02 0.00 0.00 177.57 178.92 1umn h THR 144 N -0.26 1.25 -0.53 2.57 2.02 -1.94 -2.48 112.91 113.54 1umn h THR 144 Ca -0.00 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.60 1umn h THR 144 Cb 0.24 0.11 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 1umn h THR 144 CO 0.01 0.28 0.27 -1.13 0.37 0.00 0.00 175.52 175.32 1umn h ASN 145 N 1.18 0.39 -0.55 4.18 -0.73 -1.11 -2.06 115.58 116.88 1umn h ASN 145 Ca 0.30 0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.43 1umn h ASN 145 Cb 0.04 -0.04 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1umn h ASN 145 CO -0.05 0.27 0.11 -0.78 -0.37 0.00 0.00 177.43 176.61 1umn h ASP 146 N 0.52 0.89 -0.69 1.15 1.82 -0.90 -1.90 116.42 117.31 1umn h ASP 146 Ca 0.23 -0.19 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1umn h ASP 146 Cb 0.14 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 1umn h ASP 146 CO -0.16 0.88 0.45 0.40 -1.61 0.00 0.00 179.24 179.20 1umn h ILE 147 N 0.89 1.16 -0.38 2.25 2.04 -0.96 -0.82 117.51 121.69 1umn h ILE 147 Ca 0.19 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 1umn h ILE 147 Cb 0.37 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1umn h ILE 147 CO 0.01 0.17 -0.31 -0.26 0.00 0.00 0.00 178.15 177.76 1umn h PHE 148 N 0.91 0.97 -0.36 1.37 -1.00 -1.22 -2.55 116.94 115.06 1umn h PHE 148 Ca 0.26 -0.26 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 1umn h PHE 148 Cb -0.08 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 1umn h PHE 148 CO -0.03 1.03 0.23 -0.97 -1.61 0.00 0.00 178.31 176.96 1umn h ASN 149 N 0.70 0.43 -0.54 2.17 -0.00 -0.75 -0.08 115.58 117.52 1umn h ASN 149 Ca 0.08 -0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.28 1umn h ASN 149 Cb 0.86 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.05 1umn h ASN 149 CO 0.08 0.34 0.11 0.58 -0.00 0.00 0.00 177.43 178.54 1umn h VAL 150 N 0.48 1.25 -0.46 2.57 2.07 -1.14 -1.32 116.25 119.69 1umn h VAL 150 Ca 0.13 -0.91 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 1umn h VAL 150 Cb -0.02 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1umn h VAL 150 CO -0.03 0.33 -0.10 0.00 0.02 0.00 0.00 177.57 177.79 1umn h ALA 151 N 1.00 0.95 -0.49 1.67 0.00 -1.26 -2.78 119.26 118.35 1umn h ALA 151 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1umn h ALA 151 Cb 0.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1umn h ALA 151 CO 0.01 0.62 0.01 -0.22 0.00 0.00 0.00 179.25 179.67 1umn h LYS 152 N 0.76 0.85 -0.19 0.00 3.64 -0.80 -2.19 116.57 118.64 1umn h LYS 152 Ca 0.13 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1umn h LYS 152 Cb 0.60 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.29 1umn h LYS 152 CO 0.04 0.88 -0.17 0.00 -2.27 0.00 0.00 179.45 177.94 1umn h ALA 153 N 0.93 -0.04 -0.36 5.00 0.00 -1.00 -1.26 119.26 122.54 1umn h ALA 153 Ca 0.14 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1umn h ALA 153 Cb 0.49 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1umn h ALA 153 CO 0.02 -0.60 -0.31 0.66 0.00 0.00 0.00 179.25 179.02 1umn h SER 154 N -0.18 0.81 -0.35 0.00 4.64 -1.45 -2.35 113.55 114.67 1umn h SER 154 Ca 0.12 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 61.00 1umn h SER 154 Cb 0.35 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1umn h SER 154 CO -0.30 1.05 -0.17 0.40 -0.87 0.00 0.00 176.83 176.95 1umn h ILE 155 N 0.66 1.27 -0.20 0.95 1.08 -1.20 -2.02 117.51 118.05 1umn h ILE 155 Ca 0.07 -1.28 -0.07 0.00 -0.39 0.00 0.00 64.86 63.19 1umn h ILE 155 Cb 0.84 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.70 1umn h ILE 155 CO 0.07 0.43 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.45 1umn h GLU 156 N 0.73 0.34 -0.49 2.37 5.08 -1.14 -0.47 114.58 121.00 1umn h GLU 156 Ca 0.11 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1umn h GLU 156 Cb 0.69 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1umn h GLU 156 CO 0.05 0.52 0.07 -0.22 -1.00 0.00 0.00 179.01 178.43 1umn h LYS 157 N 0.31 0.82 -0.76 2.33 3.64 -1.05 -2.26 116.57 119.59 1umn h LYS 157 Ca 0.06 -0.23 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 1umn h LYS 157 Cb 0.52 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1umn h LYS 157 CO 0.03 0.83 0.30 0.45 -2.27 0.00 0.00 179.45 178.79 1umn h HIS 158 N 0.69 1.17 -0.92 1.91 3.86 -0.80 -2.27 115.15 118.78 1umn h HIS 158 Ca 0.15 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.33 1umn h HIS 158 Cb 0.41 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 28.47 1umn h HIS 158 CO 0.03 0.89 0.58 0.82 0.86 0.00 0.00 177.93 181.11 1umn h ILE 159 N 1.11 1.05 -0.05 2.45 2.04 -0.77 0.28 117.51 123.62 1umn h ILE 159 Ca 0.25 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1umn h ILE 159 Cb 0.22 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1umn h ILE 159 CO -0.02 0.19 0.02 -0.25 0.00 0.00 0.00 178.15 178.09 1umn h TRP 160 N 1.05 0.03 -0.56 1.37 7.01 -0.87 0.72 115.95 124.71 1umn h TRP 160 Ca 0.40 0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.31 1umn h TRP 160 Cb 0.18 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.21 1umn h TRP 160 CO -0.02 0.02 -0.04 0.52 -2.79 0.00 0.00 178.44 176.13 1umn h MET 161 N 0.04 1.00 -0.04 2.65 2.86 -0.84 0.13 114.93 120.73 1umn h MET 161 Ca 0.02 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1umn h MET 161 Cb 0.01 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 1umn h MET 161 CO -0.02 1.01 0.01 -0.07 1.06 0.00 0.00 176.91 178.90 1umn h LEU 162 N 0.90 0.06 -0.64 1.22 3.38 -0.32 -1.35 115.31 118.57 1umn h LEU 162 Ca 0.16 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1umn h LEU 162 Cb 0.59 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 1umn h LEU 162 CO 0.04 0.26 0.39 1.56 0.09 0.00 0.00 178.44 180.77 1umn h GLN 163 N -0.14 0.73 -0.49 1.13 1.08 -0.69 -2.08 115.11 114.64 1umn h GLN 163 Ca 0.01 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1umn h GLN 163 Cb 0.22 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.43 1umn h GLN 163 CO -0.00 0.48 0.18 0.00 -0.95 0.00 0.00 178.83 178.55 1umn h ALA 164 N 1.29 0.60 -0.81 3.87 0.00 -0.53 0.98 119.26 124.67 1umn h ALA 164 Ca 0.27 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1umn h ALA 164 Cb 0.06 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1umn h ALA 164 CO -0.12 -0.20 0.53 1.49 0.00 0.00 0.00 179.25 180.94 1umn h GLU 165 N 0.37 0.92 -0.72 0.00 4.57 -0.68 -0.45 114.58 118.60 1umn h GLU 165 Ca 0.23 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1umn h GLU 165 Cb 0.23 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1umn h GLU 165 CO -0.23 0.61 0.00 1.28 -1.18 0.00 0.00 179.01 179.49 1umn n LEU 166 N -4.46 1.30 -1.54 1.64 4.77 0.16 -4.87 117.00 114.00 1umn n LEU 166 Ca 0.11 -0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 55.26 1umn n LEU 166 Cb 0.15 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1umn n LEU 166 CO 0.34 0.25 -0.18 0.61 -1.33 0.00 0.00 177.39 177.08 1umn n GLY 167 N 0.23 1.05 3.41 -0.72 0.00 -0.18 -5.00 105.19 103.99 1umn n GLY 167 Ca 0.03 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.92 1.52 0.75 1.61 -0.21 -0.19 -4.99 119.66 114.23 1umn s GLN 168 Ca 0.00 -1.77 -0.11 0.00 0.02 0.00 0.00 55.36 53.49 1umn s GLN 168 Cb 0.00 -1.06 0.04 0.00 1.00 0.00 0.00 33.01 32.99 1umn s GLN 168 CO 0.00 0.00 1.09 0.00 -2.12 0.00 0.00 175.29 174.26 1umn s ALA 169 N -3.09 2.55 0.24 6.09 0.00 -1.26 -3.07 121.76 123.22 1umn s ALA 169 Ca 0.30 -0.21 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 1umn s ALA 169 Cb 0.04 -3.09 0.26 0.00 0.00 0.00 0.00 23.12 20.33 1umn s ALA 169 CO 0.12 -1.43 1.90 -1.35 0.00 0.00 0.00 175.76 174.99 1umn h PRO 170 N -0.87 1.16 -6.33 0.00 0.11 -1.88 -3.46 132.00 120.74 1umn h PRO 170 Ca -0.46 -0.07 -0.47 0.00 0.11 0.00 0.00 66.00 65.12 1umn h PRO 170 Cb 1.25 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1umn h PRO 170 CO 0.61 0.77 -0.85 1.63 -0.21 0.00 0.00 178.00 179.94 1umn n LYS 171 N -4.48 -4.12 0.00 1.05 5.02 -1.26 -4.86 118.16 109.51 1umn n LYS 171 Ca 0.11 0.51 0.03 0.00 -2.02 0.00 0.00 58.31 56.93 1umn n LYS 171 Cb 0.06 -4.89 0.15 0.00 -0.02 0.00 0.00 35.03 30.32 1umn n LYS 171 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16