#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dly h LEU 2 N 0.00 1.01 -0.46 1.04 5.85 -1.87 -0.47 115.31 120.42 1dly h LEU 2 Ca 0.00 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1dly h LEU 2 Cb 0.00 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 1dly h LEU 2 CO 0.00 0.79 0.02 0.15 -0.34 0.00 0.00 178.44 179.06 1dly h PHE 3 N 1.16 0.01 -0.32 1.25 3.57 -1.49 0.33 116.94 121.45 1dly h PHE 3 Ca 0.30 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1dly h PHE 3 Cb -0.02 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1dly h PHE 3 CO 0.01 -0.08 -0.21 0.00 -2.23 0.00 0.00 178.31 175.79 1dly h ALA 4 N 1.40 0.45 -0.74 2.41 0.00 -1.67 -0.37 119.26 120.74 1dly h ALA 4 Ca 0.23 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1dly h ALA 4 Cb 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 1dly h ALA 4 CO -0.37 0.41 0.49 0.87 0.00 0.00 0.00 179.25 180.65 1dly h LYS 5 N 0.47 0.79 0.00 0.00 1.57 -0.51 -0.56 116.57 118.33 1dly h LYS 5 Ca 0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1dly h LYS 5 Cb 0.76 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1dly h LYS 5 CO 0.06 0.53 0.00 -0.07 -0.57 0.00 0.00 179.45 179.39 1dly h LEU 6 N 0.82 0.00 0.00 2.94 3.38 -0.84 -3.46 115.31 118.16 1dly h LEU 6 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1dly h LEU 6 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dly h LEU 6 CO -0.10 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.04 1dly n GLY 7 N 0.02 1.02 7.00 0.83 0.00 -0.22 -4.77 105.19 109.07 1dly n GLY 7 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dly n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dly n GLY 8 N 0.00 0.20 0.34 -0.02 0.00 -0.16 -3.62 105.19 101.93 1dly n GLY 8 Ca 0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.04 1dly n GLY 8 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1dly h ARG 9 N 0.00 -0.20 -0.68 1.61 2.43 -1.97 -0.42 114.38 115.15 1dly h ARG 9 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1dly h ARG 9 Cb 0.00 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 1dly h ARG 9 CO 0.00 -0.14 0.41 0.93 -1.51 0.00 0.00 179.97 179.66 1dly h GLU 10 N -0.21 0.76 -0.28 0.20 4.39 -2.00 -0.22 114.58 117.22 1dly h GLU 10 Ca 0.20 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1dly h GLU 10 Cb 0.54 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1dly h GLU 10 CO -0.60 0.50 -0.06 0.00 -1.16 0.00 0.00 179.01 177.69 1dly h ALA 11 N 1.31 0.38 -0.20 3.43 0.00 -1.47 -1.83 119.26 120.88 1dly h ALA 11 Ca 0.28 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1dly h ALA 11 Cb 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1dly h ALA 11 CO -0.13 0.19 -0.36 0.28 0.00 0.00 0.00 179.25 179.23 1dly h VAL 12 N 0.29 1.29 -0.42 0.00 2.07 -0.93 -0.24 116.25 118.33 1dly h VAL 12 Ca 0.07 -1.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 1dly h VAL 12 Cb 0.53 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1dly h VAL 12 CO 0.03 0.45 0.14 -0.33 0.02 0.00 0.00 177.57 177.88 1dly h GLU 13 N 0.37 0.64 -0.69 1.57 5.08 -0.97 -0.48 114.58 120.11 1dly h GLU 13 Ca 0.04 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1dly h GLU 13 Cb 0.80 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1dly h GLU 13 CO 0.06 0.62 0.28 0.00 -1.00 0.00 0.00 179.01 178.97 1dly h ALA 14 N 0.99 0.89 -0.16 3.43 0.00 -1.03 -1.80 119.26 121.58 1dly h ALA 14 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1dly h ALA 14 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dly h ALA 14 CO -0.01 0.51 0.03 0.00 0.00 0.00 0.00 179.25 179.79 1dly h ALA 15 N 1.13 0.22 -0.80 0.00 0.00 -0.80 -1.99 119.26 117.01 1dly h ALA 15 Ca 0.23 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dly h ALA 15 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1dly h ALA 15 CO -0.02 -0.13 0.50 0.28 0.00 0.00 0.00 179.25 179.88 1dly h VAL 16 N 0.06 1.22 -0.03 0.00 2.07 -0.95 0.90 116.25 119.52 1dly h VAL 16 Ca 0.05 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1dly h VAL 16 Cb 0.28 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1dly h VAL 16 CO 0.00 0.22 0.00 -0.78 0.02 0.00 0.00 177.57 177.03 1dly h ASP 17 N 1.09 0.05 -0.65 0.57 -0.00 -1.19 -1.58 116.42 114.72 1dly h ASP 17 Ca 0.29 -0.26 -0.06 0.00 -0.00 0.00 0.00 57.03 56.99 1dly h ASP 17 Cb -0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 39.33 39.21 1dly h ASP 17 CO -0.06 0.30 0.16 0.50 -0.00 0.00 0.00 179.24 180.15 1dly h LYS 18 N -0.20 1.06 -0.01 0.28 3.64 -1.15 -2.51 116.57 117.68 1dly h LYS 18 Ca 0.01 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1dly h LYS 18 Cb 0.27 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 1dly h LYS 18 CO 0.00 0.94 -0.16 0.35 -2.27 0.00 0.00 179.45 178.31 1dly h PHE 19 N 1.01 -0.41 0.00 1.91 3.57 -0.71 -2.19 116.94 120.12 1dly h PHE 19 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 1dly h PHE 19 Cb 0.36 0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1dly h PHE 19 CO 0.03 -0.23 -0.03 1.88 -2.23 0.00 0.00 178.31 177.73 1dly h TYR 20 N -0.26 0.00 -0.33 0.41 -1.99 -1.14 -0.92 116.97 112.74 1dly h TYR 20 Ca 0.05 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.66 1dly h TYR 20 Cb 0.33 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 1dly h TYR 20 CO -0.21 0.03 -0.29 -0.91 -0.00 0.00 0.00 178.16 176.78 1dly h ASN 21 N 0.00 0.71 -0.20 3.88 2.35 -0.96 -2.28 115.58 119.08 1dly h ASN 21 Ca -0.00 -0.27 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 1dly h ASN 21 Cb 0.52 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1dly h ASN 21 CO 0.00 0.96 -0.30 0.11 -1.65 0.00 0.00 177.43 176.55 1dly h LYS 22 N 0.59 0.55 -0.26 0.81 1.57 -0.85 -3.12 116.57 115.86 1dly h LYS 22 Ca 0.07 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.58 1dly h LYS 22 Cb 0.79 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.08 1dly h LYS 22 CO 0.06 0.93 -0.08 0.82 -0.57 0.00 0.00 179.45 180.61 1dly h ILE 23 N 0.22 0.70 0.00 1.86 1.08 -1.05 -2.02 117.51 118.30 1dly h ILE 23 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1dly h ILE 23 Cb 0.88 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1dly h ILE 23 CO 0.07 0.00 0.00 1.33 -0.69 0.00 0.00 178.15 178.86 1dly n VAL 24 N -5.25 0.82 0.85 1.67 0.24 -0.87 -2.16 118.33 113.63 1dly n VAL 24 Ca -0.01 0.19 0.12 0.00 -2.04 0.00 0.00 64.34 62.60 1dly n VAL 24 Cb 0.17 -1.07 0.16 0.00 -1.47 0.00 0.00 33.84 31.63 1dly n VAL 24 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dly n ALA 25 N -1.72 2.46 -3.37 2.33 0.00 -0.80 -4.82 120.51 114.58 1dly n ALA 25 Ca 0.03 -0.76 -0.39 0.00 0.00 0.00 0.00 53.44 52.32 1dly n ALA 25 Cb 0.24 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.73 1dly n ALA 25 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dly s ASP 26 N -1.86 5.48 0.64 0.00 3.68 -0.92 -4.97 116.67 118.73 1dly s ASP 26 Ca 0.31 -1.51 0.34 0.00 2.13 0.00 0.00 52.55 53.82 1dly s ASP 26 Cb 0.21 -1.93 1.84 0.00 -1.45 0.00 0.00 42.92 41.60 1dly s ASP 26 CO 0.31 -0.49 2.08 -0.65 0.13 0.00 0.00 175.17 176.55 1dly h PRO 27 N 8.30 0.00 0.00 4.34 0.11 -1.88 0.16 132.00 143.03 1dly h PRO 27 Ca -0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1dly h PRO 27 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1dly h PRO 27 CO 0.71 0.00 -0.20 1.15 -0.21 0.00 0.00 178.00 179.45 1dly h THR 28 N 0.00 1.09 0.00 -1.15 2.02 -1.93 -3.36 112.91 109.57 1dly h THR 28 Ca 0.03 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1dly h THR 28 Cb 0.48 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1dly h THR 28 CO -0.00 0.20 -0.12 1.33 0.37 0.00 0.00 175.52 177.29 1dly n VAL 29 N -4.22 0.00 0.17 3.16 0.24 -0.62 -4.89 118.33 112.17 1dly n VAL 29 Ca -0.02 -0.13 0.06 0.00 -2.04 0.00 0.00 64.34 62.21 1dly n VAL 29 Cb 0.26 0.74 0.55 0.00 -1.47 0.00 0.00 33.84 33.92 1dly n VAL 29 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1dly h SER 30 N 0.00 0.17 0.54 -1.34 4.64 -0.81 -2.53 113.55 114.21 1dly h SER 30 Ca 0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1dly h SER 30 Cb 0.00 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1dly h SER 30 CO 0.00 0.13 -0.14 0.74 -0.87 0.00 0.00 176.83 176.70 1dly h THR 31 N 0.20 0.50 0.00 2.95 2.02 -1.84 -1.44 112.91 115.30 1dly h THR 31 Ca 0.05 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.54 1dly h THR 31 Cb 0.00 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1dly h THR 31 CO -0.01 0.13 -0.11 1.88 0.37 0.00 0.00 175.52 177.78 1dly h TYR 32 N 0.00 0.00 -0.68 3.16 -1.99 -1.82 -2.41 116.97 113.23 1dly h TYR 32 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dly h TYR 32 Cb 0.44 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.17 1dly h TYR 32 CO 0.00 0.11 0.00 1.19 -0.00 0.00 0.00 178.16 179.46 1dly n PHE 33 N -3.87 1.19 0.28 4.88 3.01 -0.55 -4.59 117.46 117.81 1dly n PHE 33 Ca -0.02 -0.55 0.14 0.00 1.01 0.00 0.00 57.45 58.03 1dly n PHE 33 Cb 0.21 -0.11 0.86 0.00 -0.01 0.00 0.00 39.48 40.43 1dly n PHE 33 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1dly h SER 34 N 4.11 0.00 -0.28 4.37 4.64 -1.41 -1.89 113.55 123.09 1dly h SER 34 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1dly h SER 34 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1dly h SER 34 CO 0.11 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.66 1dly n ASN 35 N -3.96 3.72 -4.65 4.97 3.02 -1.26 -5.00 115.26 112.10 1dly n ASN 35 Ca -0.02 -3.12 -0.35 0.00 -0.03 0.00 0.00 54.58 51.06 1dly n ASN 35 Cb 0.12 -0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.63 1dly n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1dly s THR 36 N -2.89 4.35 -0.46 3.41 2.01 -0.71 -5.06 115.64 116.28 1dly s THR 36 Ca 0.43 -0.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1dly s THR 36 Cb 0.35 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 70.02 1dly s THR 36 CO 0.08 0.57 1.24 -0.62 -0.69 0.00 0.00 174.62 175.19 1dly s ASP 37 N -0.50 6.52 0.14 3.53 -1.08 -1.26 -4.89 116.67 119.13 1dly s ASP 37 Ca 0.09 0.58 0.19 0.00 -0.52 0.00 0.00 52.55 52.89 1dly s ASP 37 Cb -0.12 -2.55 0.81 0.00 -1.46 0.00 0.00 42.92 39.60 1dly s ASP 37 CO 0.02 -1.33 1.59 0.23 0.52 0.00 0.00 175.17 176.21 1dly n MET 38 N 7.95 0.10 0.10 4.34 2.81 -1.26 -1.28 117.12 129.88 1dly n MET 38 Ca 0.14 0.35 -0.20 0.00 -1.81 0.00 0.00 57.70 56.17 1dly n MET 38 Cb 0.49 -1.70 -0.15 0.00 -0.71 0.00 0.00 33.22 31.15 1dly n MET 38 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1dly h LYS 39 N 0.00 0.38 -0.47 0.03 1.57 -1.99 -2.01 116.57 114.08 1dly h LYS 39 Ca 0.00 -0.65 -0.13 0.00 -1.87 0.00 0.00 60.65 58.01 1dly h LYS 39 Cb 0.31 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1dly h LYS 39 CO 0.00 1.29 -0.21 0.28 -0.57 0.00 0.00 179.45 180.24 1dly h VAL 40 N 0.10 1.27 -0.70 0.50 2.07 -1.82 -1.74 116.25 115.94 1dly h VAL 40 Ca -0.24 -1.36 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 1dly h VAL 40 Cb 2.07 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.94 1dly h VAL 40 CO 0.21 0.47 0.20 -0.61 0.02 0.00 0.00 177.57 177.86 1dly h GLN 41 N 0.82 1.10 -0.96 1.57 5.75 -1.22 -0.01 115.11 122.16 1dly h GLN 41 Ca 0.11 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1dly h GLN 41 Cb 0.77 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.12 1dly h GLN 41 CO 0.06 0.96 0.62 0.00 -2.65 0.00 0.00 178.83 177.82 1dly h ARG 42 N 1.03 1.27 -0.22 1.69 3.08 -1.14 -0.35 114.38 119.75 1dly h ARG 42 Ca 0.22 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 1dly h ARG 42 Cb 0.33 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1dly h ARG 42 CO -0.00 0.86 0.08 1.03 -1.07 0.00 0.00 179.97 180.86 1dly h SER 43 N 1.30 0.31 -0.54 7.04 0.87 -0.38 -1.69 113.55 120.46 1dly h SER 43 Ca 0.35 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 1dly h SER 43 Cb -0.12 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1dly h SER 43 CO -0.07 0.41 -0.07 0.11 -0.53 0.00 0.00 176.83 176.68 1dly h LYS 44 N 0.19 1.02 -0.65 2.24 1.57 -0.70 -2.41 116.57 117.83 1dly h LYS 44 Ca 0.07 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1dly h LYS 44 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1dly h LYS 44 CO -0.00 1.03 0.05 0.37 -0.57 0.00 0.00 179.45 180.33 1dly h GLN 45 N 0.91 1.11 -0.30 3.15 5.75 -0.99 -0.25 115.11 124.49 1dly h GLN 45 Ca 0.15 -0.32 0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1dly h GLN 45 Cb 0.62 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1dly h GLN 45 CO 0.04 1.04 0.16 0.35 -2.65 0.00 0.00 178.83 177.78 1dly h PHE 46 N 1.02 0.31 -0.75 3.99 3.57 -1.17 0.71 116.94 124.61 1dly h PHE 46 Ca 0.19 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1dly h PHE 46 Cb 0.51 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1dly h PHE 46 CO 0.04 0.18 0.41 0.00 -2.23 0.00 0.00 178.31 176.70 1dly h ALA 47 N 1.14 0.96 -0.09 2.41 0.00 -1.03 0.14 119.26 122.80 1dly h ALA 47 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dly h ALA 47 Cb 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1dly h ALA 47 CO -0.07 0.48 -0.02 0.35 0.00 0.00 0.00 179.25 179.99 1dly h PHE 48 N 1.04 0.20 -0.38 0.00 3.57 -0.73 -2.90 116.94 117.74 1dly h PHE 48 Ca 0.26 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1dly h PHE 48 Cb 0.04 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1dly h PHE 48 CO 0.00 0.50 0.04 -0.07 -2.23 0.00 0.00 178.31 176.55 1dly h LEU 49 N -0.15 0.55 -0.73 0.59 3.38 -0.70 0.37 115.31 118.61 1dly h LEU 49 Ca 0.02 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1dly h LEU 49 Cb 0.44 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1dly h LEU 49 CO 0.01 0.59 0.46 0.00 0.09 0.00 0.00 178.44 179.59 1dly h ALA 50 N 1.48 0.96 0.13 1.53 0.00 -0.68 0.21 119.26 122.89 1dly h ALA 50 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dly h ALA 50 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1dly h ALA 50 CO 0.01 0.24 -0.06 -0.92 0.00 0.00 0.00 179.25 178.51 1dly h TYR 51 N 0.89 -0.16 0.00 0.00 3.20 -1.18 0.64 116.97 120.36 1dly h TYR 51 Ca 0.29 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1dly h TYR 51 Cb 0.03 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 1dly h TYR 51 CO -0.04 0.19 -0.06 0.00 -1.64 0.00 0.00 178.16 176.60 1dly h ALA 52 N 0.26 1.76 -0.23 1.82 0.00 -0.58 -2.17 119.26 120.12 1dly h ALA 52 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dly h ALA 52 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1dly h ALA 52 CO 0.03 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1dly n LEU 53 N -4.27 2.49 0.00 0.00 4.77 0.72 -4.96 117.00 115.76 1dly n LEU 53 Ca -0.03 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1dly n LEU 53 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1dly n LEU 53 CO 0.33 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1dly n GLY 54 N 1.30 0.52 0.13 -0.72 0.00 -0.81 -1.26 105.19 104.35 1dly n GLY 54 Ca 0.17 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1dly n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dly n GLY 55 N -2.32 -0.27 2.98 -0.02 0.00 0.21 -4.79 105.19 100.99 1dly n GLY 55 Ca 0.00 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 1dly n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dly s ALA 56 N -2.20 0.43 0.31 4.61 0.00 -0.61 -4.88 121.76 119.42 1dly s ALA 56 Ca 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.69 1dly s ALA 56 Cb 0.12 -0.06 0.49 0.00 0.00 0.00 0.00 23.12 23.67 1dly s ALA 56 CO 0.53 0.06 1.94 0.77 0.00 0.00 0.00 175.76 179.05 1dly h SER 57 N 5.61 0.83 -5.20 0.00 0.02 -1.92 -3.39 113.55 109.51 1dly h SER 57 Ca -0.30 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 1dly h SER 57 Cb 1.20 -0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.46 1dly h SER 57 CO 0.48 0.66 -0.01 -1.83 -1.14 0.00 0.00 176.83 174.99 1dly s GLU 58 N -5.65 1.72 -0.14 3.45 -1.05 -1.26 -5.08 118.70 110.70 1dly s GLU 58 Ca -0.11 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 1dly s GLU 58 Cb 0.17 0.51 0.02 0.00 -0.44 0.00 0.00 34.13 34.40 1dly s GLU 58 CO 0.79 -0.74 -0.13 -0.46 0.95 0.00 0.00 175.26 175.66 1dly s TRP 59 N -3.69 2.00 -1.27 4.83 -0.11 -1.26 -4.72 118.94 114.71 1dly s TRP 59 Ca 0.20 -1.09 0.15 0.00 1.22 0.00 0.00 56.10 56.58 1dly s TRP 59 Cb -0.02 -1.50 0.42 0.00 -1.50 0.00 0.00 33.47 30.86 1dly s TRP 59 CO 0.10 -0.62 1.35 1.63 -4.62 0.00 0.00 176.95 174.79 1dly n LYS 60 N 4.76 2.83 0.00 5.86 5.02 -1.26 -4.98 118.16 130.39 1dly n LYS 60 Ca -0.16 -2.26 0.00 0.00 -2.02 0.00 0.00 58.31 53.87 1dly n LYS 60 Cb 0.50 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1dly n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dly n GLY 61 N 0.89 0.08 3.77 0.72 0.00 -1.26 -5.03 105.19 104.37 1dly n GLY 61 Ca 0.16 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 1dly n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dly s LYS 62 N 0.88 4.23 0.66 1.61 1.02 -1.26 -5.00 119.74 121.88 1dly s LYS 62 Ca 0.00 1.73 -0.16 0.00 0.02 0.00 0.00 55.97 57.56 1dly s LYS 62 Cb 0.00 -2.76 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1dly s LYS 62 CO 0.00 -0.13 1.14 0.16 -0.92 0.00 0.00 175.35 175.60 1dly s ASP 63 N -1.21 4.99 0.42 2.83 -4.77 -1.26 -4.77 116.67 112.91 1dly s ASP 63 Ca 0.54 2.13 0.14 0.00 -3.30 0.00 0.00 52.55 52.06 1dly s ASP 63 Cb -0.28 -2.57 1.02 0.00 -1.09 0.00 0.00 42.92 40.00 1dly s ASP 63 CO 0.36 -1.71 1.95 0.24 0.70 0.00 0.00 175.17 176.70 1dly h MET 64 N 0.17 0.43 -0.13 2.11 2.86 -1.94 -1.60 114.93 116.83 1dly h MET 64 Ca -0.48 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.09 1dly h MET 64 Cb 1.26 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 1dly h MET 64 CO 0.53 0.28 -0.10 -0.09 1.06 0.00 0.00 176.91 178.59 1dly h ARG 65 N 0.44 0.30 -0.59 1.72 2.43 -1.89 -2.91 114.38 113.87 1dly h ARG 65 Ca 0.33 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1dly h ARG 65 Cb 0.68 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 1dly h ARG 65 CO -0.10 0.68 0.26 1.15 -1.51 0.00 0.00 179.97 180.44 1dly h THR 66 N -0.08 1.20 -0.39 0.20 2.02 -1.76 -0.77 112.91 113.34 1dly h THR 66 Ca 0.02 -0.61 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1dly h THR 66 Cb 0.61 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1dly h THR 66 CO 0.03 0.25 0.09 0.00 0.37 0.00 0.00 175.52 176.26 1dly h ALA 67 N 1.44 1.43 0.00 6.16 0.00 -1.25 -3.37 119.26 123.67 1dly h ALA 67 Ca 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1dly h ALA 67 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1dly h ALA 67 CO -0.02 0.42 -1.35 0.72 0.00 0.00 0.00 179.25 179.01 1dly n HIS 68 N -4.33 0.00 -0.27 0.00 8.25 -1.08 -4.77 115.22 113.02 1dly n HIS 68 Ca 0.02 0.00 0.26 0.00 -0.26 0.00 0.00 57.72 57.74 1dly n HIS 68 Cb 0.19 -0.20 0.61 0.00 1.12 0.00 0.00 29.99 31.71 1dly n HIS 68 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1dly h LYS 69 N 0.00 0.22 -0.02 -0.41 2.10 -1.30 -1.21 116.57 115.95 1dly h LYS 69 Ca -0.04 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1dly h LYS 69 Cb 0.59 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1dly h LYS 69 CO 0.00 0.15 -0.06 -0.25 -2.00 0.00 0.00 179.45 177.29 1dly n ASP 70 N -4.43 1.60 -4.77 7.07 8.00 -1.26 -4.92 116.55 117.85 1dly n ASP 70 Ca 0.22 -1.45 -0.39 0.00 0.71 0.00 0.00 54.79 53.88 1dly n ASP 70 Cb 0.92 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 42.04 1dly n ASP 70 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1dly s LEU 71 N -2.10 4.26 0.00 0.64 1.43 -0.46 -5.02 118.68 117.44 1dly s LEU 71 Ca 0.34 2.48 0.04 0.00 -1.03 0.00 0.00 54.13 55.96 1dly s LEU 71 Cb 0.21 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1dly s LEU 71 CO 0.37 -0.67 -0.12 0.68 0.23 0.00 0.00 176.35 176.84 1dly s VAL 72 N -1.31 0.93 0.66 -1.59 -7.23 -1.26 -3.47 120.40 107.13 1dly s VAL 72 Ca 0.55 -0.62 -0.18 0.00 -1.81 0.00 0.00 61.98 59.92 1dly s VAL 72 Cb -0.34 -0.80 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 1dly s VAL 72 CO 0.44 0.17 1.29 -2.84 -0.31 0.00 0.00 175.10 173.85 1dly s PRO 73 N -0.51 2.46 0.21 4.82 0.02 -1.26 -4.96 135.00 135.78 1dly s PRO 73 Ca 0.03 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 62.77 1dly s PRO 73 Cb -0.05 -1.84 -0.15 0.00 0.02 0.00 0.00 34.50 32.48 1dly s PRO 73 CO -0.00 -1.66 1.24 0.72 -0.33 0.00 0.00 177.00 176.96 1dly n HIS 74 N -2.05 1.63 -1.96 6.54 8.25 -1.23 -4.87 115.22 121.53 1dly n HIS 74 Ca 0.16 0.59 -0.40 0.00 -0.26 0.00 0.00 57.72 57.81 1dly n HIS 74 Cb 0.48 -2.34 0.00 0.00 1.12 0.00 0.00 29.99 29.25 1dly n HIS 74 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1dly s LEU 75 N 0.40 4.18 0.44 2.41 1.43 -1.26 -5.03 118.68 121.25 1dly s LEU 75 Ca 0.69 2.76 0.03 0.00 -1.03 0.00 0.00 54.13 56.59 1dly s LEU 75 Cb -0.76 -3.91 -0.02 0.00 0.03 0.00 0.00 46.19 41.54 1dly s LEU 75 CO 0.52 -0.96 0.12 -0.94 0.23 0.00 0.00 176.35 175.32 1dly s SER 76 N -0.64 3.13 0.41 2.29 1.04 -1.26 -4.93 113.70 113.74 1dly s SER 76 Ca 0.58 -1.73 0.29 0.00 0.48 0.00 0.00 55.95 55.57 1dly s SER 76 Cb -0.40 0.61 1.35 0.00 0.10 0.00 0.00 66.02 67.68 1dly s SER 76 CO 0.52 -0.98 1.88 0.44 0.98 0.00 0.00 173.24 176.08 1dly h ASP 77 N 1.65 0.00 -0.30 7.02 3.32 -1.98 -1.76 116.42 124.36 1dly h ASP 77 Ca -0.36 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.64 1dly h ASP 77 Cb 1.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1dly h ASP 77 CO 0.57 0.00 -0.02 0.58 -1.72 0.00 0.00 179.24 178.65 1dly h VAL 78 N 0.00 1.26 -0.34 -1.35 2.07 -1.99 -0.52 116.25 115.39 1dly h VAL 78 Ca 0.00 -0.99 -0.13 0.00 0.82 0.00 0.00 66.70 66.40 1dly h VAL 78 Cb 0.27 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1dly h VAL 78 CO 0.00 0.32 -0.28 0.45 0.02 0.00 0.00 177.57 178.08 1dly h HIS 79 N 0.33 0.93 -0.38 1.57 3.86 -1.75 -1.61 115.15 118.11 1dly h HIS 79 Ca 0.08 -0.27 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 1dly h HIS 79 Cb 0.47 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.72 1dly h HIS 79 CO 0.04 1.04 0.22 0.35 0.86 0.00 0.00 177.93 180.43 1dly h PHE 80 N 0.56 0.52 -0.43 2.45 3.57 -1.29 -1.45 116.94 120.87 1dly h PHE 80 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1dly h PHE 80 Cb 0.85 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 1dly h PHE 80 CO 0.07 0.39 0.01 1.96 -2.23 0.00 0.00 178.31 178.51 1dly h GLN 81 N 0.49 0.68 -0.22 1.11 1.08 -1.06 -0.46 115.11 116.73 1dly h GLN 81 Ca 0.14 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1dly h GLN 81 Cb 0.04 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1dly h GLN 81 CO -0.02 0.70 0.09 0.00 -0.95 0.00 0.00 178.83 178.64 1dly h ALA 82 N 1.36 0.29 -0.51 3.87 0.00 -0.84 0.09 119.26 123.53 1dly h ALA 82 Ca 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1dly h ALA 82 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1dly h ALA 82 CO 0.01 -0.11 -0.16 0.28 0.00 0.00 0.00 179.25 179.28 1dly h VAL 83 N 0.21 1.27 -0.58 0.00 2.07 -1.03 -1.80 116.25 116.38 1dly h VAL 83 Ca 0.07 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 1dly h VAL 83 Cb 0.19 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1dly h VAL 83 CO -0.01 0.46 0.21 0.00 0.02 0.00 0.00 177.57 178.25 1dly h ALA 84 N 0.94 0.76 -0.67 1.67 0.00 -0.99 -1.83 119.26 119.14 1dly h ALA 84 Ca 0.13 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dly h ALA 84 Cb 0.72 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dly h ALA 84 CO 0.06 0.40 0.44 -0.09 0.00 0.00 0.00 179.25 180.06 1dly h ARG 85 N 0.81 0.88 -0.55 0.00 2.43 -0.77 -0.46 114.38 116.73 1dly h ARG 85 Ca 0.19 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1dly h ARG 85 Cb 0.24 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1dly h ARG 85 CO -0.01 0.59 0.12 0.45 -1.51 0.00 0.00 179.97 179.61 1dly h HIS 86 N 0.91 0.88 -0.27 2.20 3.86 -0.98 0.49 115.15 122.24 1dly h HIS 86 Ca 0.25 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 59.18 1dly h HIS 86 Cb -0.10 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.11 1dly h HIS 86 CO -0.03 0.74 -0.58 1.25 0.86 0.00 0.00 177.93 180.18 1dly h LEU 87 N 0.82 0.98 -0.32 2.43 5.85 -0.89 -1.33 115.31 122.84 1dly h LEU 87 Ca 0.18 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1dly h LEU 87 Cb 0.31 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1dly h LEU 87 CO 0.00 1.34 0.11 -1.28 -0.34 0.00 0.00 178.44 178.27 1dly h SER 88 N 0.66 0.46 -0.42 1.25 0.87 -0.83 -1.69 113.55 113.85 1dly h SER 88 Ca 0.01 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1dly h SER 88 Cb 1.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 1dly h SER 88 CO 0.13 0.53 0.16 0.44 -0.53 0.00 0.00 176.83 177.56 1dly h ASP 89 N 0.36 0.62 -0.23 6.23 3.32 -0.88 -1.26 116.42 124.59 1dly h ASP 89 Ca 0.10 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1dly h ASP 89 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1dly h ASP 89 CO -0.00 0.59 0.06 0.74 -1.72 0.00 0.00 179.24 178.91 1dly h THR 90 N 0.68 1.20 -0.53 0.35 2.02 -0.92 -0.14 112.91 115.56 1dly h THR 90 Ca 0.16 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 1dly h THR 90 Cb 0.18 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1dly h THR 90 CO -0.01 0.21 0.17 -0.07 0.37 0.00 0.00 175.52 176.19 1dly h LEU 91 N 0.20 0.72 -0.25 2.58 3.38 -0.96 -0.80 115.31 120.18 1dly h LEU 91 Ca 0.07 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1dly h LEU 91 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1dly h LEU 91 CO -0.00 0.68 0.01 0.74 0.09 0.00 0.00 178.44 179.96 1dly h THR 92 N 0.77 1.25 0.00 0.22 2.02 -1.00 -1.15 112.91 115.02 1dly h THR 92 Ca 0.18 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1dly h THR 92 Cb 0.21 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1dly h THR 92 CO -0.01 0.27 -0.05 -0.33 0.37 0.00 0.00 175.52 175.77 1dly h GLU 93 N 0.23 0.00 -0.08 6.66 5.08 -0.59 -1.26 114.58 124.62 1dly h GLU 93 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1dly h GLU 93 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1dly h GLU 93 CO 0.01 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.35 1dly n LEU 94 N -3.36 1.75 -0.09 1.33 4.77 -0.34 -4.95 117.00 116.12 1dly n LEU 94 Ca -0.02 -0.64 -0.01 0.00 -0.03 0.00 0.00 56.01 55.31 1dly n LEU 94 Cb 0.20 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1dly n LEU 94 CO 0.26 0.32 -0.01 0.61 -1.33 0.00 0.00 177.39 177.24 1dly n GLY 95 N 1.19 0.42 3.74 -0.72 0.00 -0.47 -5.02 105.19 104.32 1dly n GLY 95 Ca 0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1dly n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dly s VAL 96 N -2.04 3.66 0.38 1.61 1.01 -0.46 -4.97 120.40 119.59 1dly s VAL 96 Ca 0.00 1.42 -0.27 0.00 0.00 0.00 0.00 61.98 63.13 1dly s VAL 96 Cb 0.00 -3.90 -0.11 0.00 0.00 0.00 0.00 36.38 32.37 1dly s VAL 96 CO 0.00 0.23 1.28 -2.65 0.00 0.00 0.00 175.10 173.97 1dly n PRO 97 N 2.42 2.05 -0.05 2.72 -0.02 -1.26 -4.73 135.00 136.13 1dly n PRO 97 Ca 0.04 0.72 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 1dly n PRO 97 Cb 0.45 -2.36 0.58 0.00 -0.02 0.00 0.00 33.50 32.15 1dly n PRO 97 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1dly h PRO 98 N 2.34 0.23 -0.06 0.52 0.13 -1.98 -0.85 132.00 132.33 1dly h PRO 98 Ca -0.47 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 1dly h PRO 98 Cb 1.29 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1dly h PRO 98 CO 0.61 0.15 -0.46 1.05 -0.23 0.00 0.00 178.00 179.13 1dly h GLU 99 N 0.24 0.15 -0.00 0.86 9.09 -2.00 -0.89 114.58 122.02 1dly h GLU 99 Ca 0.28 -0.08 -0.18 0.00 0.05 0.00 0.00 59.36 59.43 1dly h GLU 99 Cb 0.76 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.85 1dly h GLU 99 CO -0.06 0.58 -0.81 -0.44 0.05 0.00 0.00 179.01 178.33 1dly h ASP 100 N 0.12 0.16 -0.40 3.06 3.32 -1.53 -2.62 116.42 118.53 1dly h ASP 100 Ca 0.01 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 1dly h ASP 100 Cb 0.86 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 1dly h ASP 100 CO 0.07 0.90 -0.06 0.40 -1.72 0.00 0.00 179.24 178.83 1dly h ILE 101 N 0.07 1.27 -0.39 0.35 2.04 -1.02 -1.03 117.51 118.81 1dly h ILE 101 Ca -0.03 -1.13 0.05 0.00 1.00 0.00 0.00 64.86 64.75 1dly h ILE 101 Cb 1.42 1.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.64 1dly h ILE 101 CO 0.12 0.38 0.13 0.74 0.00 0.00 0.00 178.15 179.51 1dly h THR 102 N 0.57 0.87 -0.76 -0.27 2.02 -1.08 0.12 112.91 114.38 1dly h THR 102 Ca 0.11 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.15 1dly h THR 102 Cb 0.57 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1dly h THR 102 CO 0.03 0.05 0.31 0.44 0.37 0.00 0.00 175.52 176.73 1dly h ASP 103 N 0.28 1.03 -0.71 4.18 3.32 -1.26 -2.04 116.42 121.22 1dly h ASP 103 Ca 0.18 -0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1dly h ASP 103 Cb 0.17 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1dly h ASP 103 CO -0.19 0.92 0.19 0.00 -1.72 0.00 0.00 179.24 178.43 1dly h ALA 104 N 1.16 0.93 0.00 3.45 0.00 -0.50 -2.53 119.26 121.77 1dly h ALA 104 Ca 0.25 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1dly h ALA 104 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1dly h ALA 104 CO -0.02 0.65 -0.36 0.52 0.00 0.00 0.00 179.25 180.03 1dly h MET 105 N 1.07 0.00 -0.54 0.00 2.86 -0.52 -1.57 114.93 116.22 1dly h MET 105 Ca 0.22 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1dly h MET 105 Cb 0.36 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1dly h MET 105 CO 0.00 0.36 -0.10 0.00 1.06 0.00 0.00 176.91 178.23 1dly h ALA 106 N 1.64 0.74 -0.59 6.32 0.00 -1.02 0.22 119.26 126.56 1dly h ALA 106 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1dly h ALA 106 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dly h ALA 106 CO 0.05 0.65 0.27 0.28 0.00 0.00 0.00 179.25 180.50 1dly h VAL 107 N 0.90 1.22 -0.40 0.00 2.07 -0.98 -1.58 116.25 117.47 1dly h VAL 107 Ca 0.14 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1dly h VAL 107 Cb 0.67 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1dly h VAL 107 CO 0.05 0.25 0.20 0.58 0.02 0.00 0.00 177.57 178.67 1dly h VAL 108 N 0.81 1.17 -0.60 2.57 2.07 -0.98 -2.69 116.25 118.59 1dly h VAL 108 Ca 0.20 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1dly h VAL 108 Cb 0.15 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1dly h VAL 108 CO -0.02 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.15 1dly h ALA 109 N 1.05 1.85 0.00 1.67 0.00 -0.19 -1.68 119.26 121.95 1dly h ALA 109 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dly h ALA 109 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dly h ALA 109 CO -0.02 0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.15 1dly n SER 110 N -4.48 0.28 0.01 0.00 3.41 -0.63 -1.95 113.62 110.26 1dly n SER 110 Ca 0.09 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.40 1dly n SER 110 Cb 0.26 -0.64 0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1dly n SER 110 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1dly n THR 111 N -1.83 0.05 -0.12 6.66 -2.24 -0.63 -4.62 114.28 111.54 1dly n THR 111 Ca 0.01 -0.07 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1dly n THR 111 Cb 0.12 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1dly n THR 111 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1dly h ARG 112 N 0.00 -0.29 -0.89 -0.78 2.43 -1.49 -0.53 114.38 112.83 1dly h ARG 112 Ca 0.00 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1dly h ARG 112 Cb 0.56 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.10 1dly h ARG 112 CO 0.00 -0.20 0.53 1.15 -1.51 0.00 0.00 179.97 179.94 1dly h THR 113 N -0.30 0.88 0.00 0.20 2.02 -1.82 -0.47 112.91 113.43 1dly h THR 113 Ca 0.15 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1dly h THR 113 Cb 0.57 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1dly h THR 113 CO -0.56 0.15 -0.41 -0.33 0.37 0.00 0.00 175.52 174.74 1dly h GLU 114 N 0.84 0.28 -0.98 6.66 4.39 -1.78 -1.57 114.58 122.42 1dly h GLU 114 Ca 0.44 -0.30 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1dly h GLU 114 Cb 0.46 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 1dly h GLU 114 CO -0.27 1.01 0.64 0.28 -1.16 0.00 0.00 179.01 179.51 1dly h VAL 115 N -0.33 1.15 -0.15 3.13 2.07 -0.87 -1.41 116.25 119.84 1dly h VAL 115 Ca -0.05 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1dly h VAL 115 Cb 1.15 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1dly h VAL 115 CO 0.08 0.22 0.00 0.18 0.02 0.00 0.00 177.57 178.07 1dly n LEU 116 N -4.45 1.48 -3.89 2.57 4.77 -0.20 -4.57 117.00 112.70 1dly n LEU 116 Ca 0.14 -0.62 -0.25 0.00 -0.03 0.00 0.00 56.01 55.24 1dly n LEU 116 Cb 0.12 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1dly n LEU 116 CO 0.34 0.31 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.37 1dly n ASN 117 N 0.20 -1.08 -4.96 -1.43 5.15 -0.53 -4.89 115.26 107.73 1dly n ASN 117 Ca 0.16 -0.94 -0.22 0.00 -0.60 0.00 0.00 54.58 52.98 1dly n ASN 117 Cb 0.30 -3.39 -0.01 0.00 -0.53 0.00 0.00 39.78 36.14 1dly n ASN 117 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1dly s MET 118 N -6.41 3.45 0.28 1.20 -1.94 -0.62 -5.04 119.30 110.22 1dly s MET 118 Ca 0.10 -0.55 -0.30 0.00 -1.71 0.00 0.00 55.69 53.23 1dly s MET 118 Cb -0.05 -2.77 -0.12 0.00 2.01 0.00 0.00 34.83 33.90 1dly s MET 118 CO 0.86 0.27 1.47 -2.30 -0.01 0.00 0.00 175.02 175.32 1dly n PRO 119 N -1.62 2.35 0.00 2.03 -0.02 -1.26 -4.81 135.00 131.68 1dly n PRO 119 Ca -0.07 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1dly n PRO 119 Cb 0.57 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1dly n PRO 119 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1dly n GLN 120 N 1.82 0.95 -0.92 -0.52 6.02 -1.26 -5.07 117.38 118.40 1dly n GLN 120 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.08 1dly n GLN 120 Cb 0.35 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1dly n GLN 120 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99