#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bly s VAL 2 N 0.00 5.00 0.43 3.15 1.01 -1.26 -0.60 120.40 128.13 2bly s VAL 2 Ca 0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 2bly s VAL 2 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 2bly s VAL 2 CO 0.00 -0.04 1.01 -0.36 0.00 0.00 0.00 175.10 175.71 2bly s PHE 3 N 1.67 3.21 0.71 5.22 0.40 -0.26 -5.00 117.98 123.92 2bly s PHE 3 Ca 0.05 1.62 -0.11 0.00 -0.60 0.00 0.00 56.93 57.89 2bly s PHE 3 Cb -0.18 -3.02 0.02 0.00 0.51 0.00 0.00 43.02 40.35 2bly s PHE 3 CO 0.09 -0.52 1.07 0.20 0.70 0.00 0.00 175.22 176.76 2bly s GLY 4 N -1.87 1.70 0.10 4.36 0.00 -1.26 -4.84 107.32 105.51 2bly s GLY 4 Ca 0.62 0.15 -0.26 0.00 0.00 0.00 0.00 44.72 45.23 2bly s GLY 4 CO 0.21 0.46 1.68 -0.09 0.00 0.00 0.00 173.10 175.36 2bly h ARG 5 N -0.74 -0.31 -0.02 2.90 2.43 -1.97 0.50 114.38 117.16 2bly h ARG 5 Ca -0.44 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.61 2bly h ARG 5 Cb 1.22 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2bly h ARG 5 CO 0.56 -0.21 -0.64 0.00 -1.51 0.00 0.00 179.97 178.17 2bly h GLU 7 N 0.07 0.47 -0.47 0.00 4.81 -1.90 -0.62 114.58 116.93 2bly h GLU 7 Ca -0.01 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 2bly h GLU 7 Cb 1.14 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2bly h GLU 7 CO 0.09 0.33 -0.05 1.25 -0.73 0.00 0.00 179.01 179.91 2bly h LEU 8 N 0.46 0.85 -0.52 1.64 5.85 -0.65 -1.90 115.31 121.05 2bly h LEU 8 Ca 0.13 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.61 2bly h LEU 8 Cb -0.02 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.70 2bly h LEU 8 CO -0.03 0.98 0.06 0.00 -0.34 0.00 0.00 178.44 179.11 2bly h ALA 9 N 0.90 0.54 -0.62 1.25 0.00 -0.96 0.57 119.26 120.95 2bly h ALA 9 Ca 0.13 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2bly h ALA 9 Cb 0.57 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2bly h ALA 9 CO 0.03 -0.35 0.15 0.00 0.00 0.00 0.00 179.25 179.09 2bly h ALA 10 N 1.43 0.82 -0.47 0.00 0.00 -0.95 -0.82 119.26 119.27 2bly h ALA 10 Ca 0.26 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2bly h ALA 10 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2bly h ALA 10 CO -0.38 0.53 0.02 0.00 0.00 0.00 0.00 179.25 179.41 2bly h ALA 11 N 1.05 0.63 -0.66 0.00 0.00 -0.87 -0.95 119.26 118.45 2bly h ALA 11 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2bly h ALA 11 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2bly h ALA 11 CO 0.00 0.41 0.35 0.52 0.00 0.00 0.00 179.25 180.53 2bly h MET 12 N 0.67 0.93 -0.37 0.00 2.86 -0.70 -2.26 114.93 116.05 2bly h MET 12 Ca 0.13 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2bly h MET 12 Cb 0.48 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2bly h MET 12 CO 0.02 0.71 0.07 -0.22 1.06 0.00 0.00 176.91 178.55 2bly h LYS 13 N 0.90 0.60 -0.30 1.72 3.64 -0.99 -1.20 116.57 120.94 2bly h LYS 13 Ca 0.23 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2bly h LYS 13 Cb 0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2bly h LYS 13 CO -0.03 0.66 0.16 -0.09 -2.27 0.00 0.00 179.45 177.87 2bly h ARG 14 N 0.45 0.41 -0.07 1.90 2.43 -1.00 -0.74 114.38 117.76 2bly h ARG 14 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2bly h ARG 14 Cb 0.34 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2bly h ARG 14 CO 0.01 0.31 0.00 0.72 -1.51 0.00 0.00 179.97 179.50 2bly n HIS 15 N -4.45 0.09 -1.54 2.20 8.25 -0.87 -4.92 115.22 113.98 2bly n HIS 15 Ca 0.01 -0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.41 2bly n HIS 15 Cb 0.10 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 2bly n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bly n GLY 16 N 0.90 0.42 0.13 -1.41 0.00 -0.28 -4.94 105.19 100.00 2bly n GLY 16 Ca 0.14 -0.89 0.03 0.00 0.00 0.00 0.00 46.02 45.29 2bly n GLY 16 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bly h LEU 17 N 0.00 0.00 -9.41 0.99 5.85 -1.43 -3.41 115.31 107.91 2bly h LEU 17 Ca -0.05 0.00 -0.53 0.00 0.84 0.00 0.00 57.88 58.14 2bly h LEU 17 Cb 0.58 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.63 2bly h LEU 17 CO 0.07 0.48 1.10 1.51 -0.34 0.00 0.00 178.44 181.26 2bly s ASP 18 N -6.23 6.54 0.00 1.25 -4.77 -1.26 -1.72 116.67 110.48 2bly s ASP 18 Ca 0.02 2.55 0.00 0.00 -3.30 0.00 0.00 52.55 51.82 2bly s ASP 18 Cb 0.08 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.36 2bly s ASP 18 CO 0.76 -0.96 0.00 0.59 0.70 0.00 0.00 175.17 176.26 2bly n ASN 19 N 6.36 -4.23 -4.68 2.11 3.02 0.19 -4.88 115.26 113.15 2bly n ASN 19 Ca 0.17 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 2bly n ASN 19 Cb 0.41 -1.98 -0.03 0.00 -0.61 0.00 0.00 39.78 37.56 2bly n ASN 19 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2bly s TYR 20 N -1.55 2.38 -1.78 3.10 5.04 -0.70 -1.20 117.35 122.64 2bly s TYR 20 Ca 0.00 0.35 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 2bly s TYR 20 Cb 0.00 -3.92 0.00 0.00 0.35 0.00 0.00 41.96 38.39 2bly s TYR 20 CO 0.00 -3.69 0.00 0.54 -1.34 0.00 0.00 175.55 171.06 2bly n ARG 21 N 5.89 -1.68 -0.75 4.97 5.12 -1.26 -1.75 116.66 127.20 2bly n ARG 21 Ca 0.16 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 57.08 2bly n ARG 21 Cb 0.41 -5.59 0.00 0.00 -1.16 0.00 0.00 32.46 26.12 2bly n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bly n GLY 22 N -0.84 0.77 3.48 -0.13 0.00 -0.34 -5.02 105.19 103.12 2bly n GLY 22 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2bly n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bly s TYR 23 N -2.89 3.21 0.89 1.61 2.02 -0.72 -4.90 117.35 116.58 2bly s TYR 23 Ca 0.00 -0.44 -0.10 0.00 -0.37 0.00 0.00 57.07 56.16 2bly s TYR 23 Cb 0.00 -2.68 0.13 0.00 -0.40 0.00 0.00 41.96 39.01 2bly s TYR 23 CO 0.00 -0.59 1.15 -1.54 -1.57 0.00 0.00 175.55 173.00 2bly s SER 24 N 1.73 3.08 0.26 2.29 1.04 -1.26 -0.64 113.70 120.20 2bly s SER 24 Ca 0.08 2.18 -0.01 0.00 0.48 0.00 0.00 55.95 58.69 2bly s SER 24 Cb -0.18 -2.57 0.54 0.00 0.10 0.00 0.00 66.02 63.92 2bly s SER 24 CO 0.11 -3.00 1.76 0.25 0.98 0.00 0.00 173.24 173.34 2bly h LEU 25 N -1.73 0.52 -1.69 2.42 5.85 -1.89 -0.38 115.31 118.40 2bly h LEU 25 Ca -0.43 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 2bly h LEU 25 Cb 1.27 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 2bly h LEU 25 CO 0.43 0.21 0.15 1.23 -0.34 0.00 0.00 178.44 180.12 2bly h GLY 26 N 0.62 0.37 0.74 3.75 0.00 -1.91 -1.45 103.07 105.19 2bly h GLY 26 Ca 0.47 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.71 2bly h GLY 26 CO -0.37 0.14 0.48 3.43 0.00 0.00 0.00 176.54 180.22 2bly h ASN 27 N 0.36 0.75 -0.23 0.19 2.35 -1.28 -0.14 115.58 117.58 2bly h ASN 27 Ca 0.09 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.73 2bly h ASN 27 Cb 0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 2bly h ASN 27 CO -0.02 0.49 -0.38 -0.50 -1.65 0.00 0.00 177.43 175.36 2bly h TRP 28 N 0.88 0.83 -0.44 1.19 4.06 -1.31 -0.81 115.95 120.36 2bly h TRP 28 Ca 0.34 -0.29 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 2bly h TRP 28 Cb 0.15 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 2bly h TRP 28 CO -0.05 1.05 0.16 0.28 -3.56 0.00 0.00 178.44 176.33 2bly h VAL 29 N 0.38 1.21 -0.63 1.49 2.07 -1.26 -1.22 116.25 118.28 2bly h VAL 29 Ca 0.02 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 2bly h VAL 29 Cb 0.98 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2bly h VAL 29 CO 0.09 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.16 2bly h ALA 31 N 1.09 0.22 -0.83 0.00 0.00 -1.01 -2.05 119.26 116.69 2bly h ALA 31 Ca 0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2bly h ALA 31 Cb 0.22 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2bly h ALA 31 CO -0.02 -0.40 0.53 0.00 0.00 0.00 0.00 179.25 179.36 2bly h ALA 32 N 1.19 1.37 -0.01 0.00 0.00 -0.88 0.25 119.26 121.16 2bly h ALA 32 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2bly h ALA 32 Cb 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2bly h ALA 32 CO -0.17 0.57 -0.11 -0.22 0.00 0.00 0.00 179.25 179.32 2bly h LYS 33 N 1.13 -0.17 0.00 0.00 1.63 -0.59 -1.00 116.57 117.56 2bly h LYS 33 Ca 0.30 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2bly h LYS 33 Cb -0.09 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2bly h LYS 33 CO -0.06 -0.12 -0.33 0.74 -3.45 0.00 0.00 179.45 176.24 2bly h PHE 34 N -0.18 0.00 0.24 1.91 0.04 -1.15 0.55 116.94 118.34 2bly h PHE 34 Ca 0.05 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.47 2bly h PHE 34 Cb 0.24 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.42 2bly h PHE 34 CO -0.18 0.00 -1.56 0.93 -0.60 0.00 0.00 178.31 176.90 2bly h GLU 35 N 0.00 0.50 0.00 1.51 4.39 -0.86 -3.43 114.58 116.69 2bly h GLU 35 Ca 0.00 -0.85 0.00 0.00 0.34 0.00 0.00 59.36 58.85 2bly h GLU 35 Cb 0.88 0.32 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2bly h GLU 35 CO 0.00 1.41 0.00 -1.13 -1.16 0.00 0.00 179.01 178.13 2bly n SER 36 N -3.68 0.09 -3.12 1.42 3.41 -0.41 -4.84 113.62 106.49 2bly n SER 36 Ca -0.19 -0.48 -0.22 0.00 -0.26 0.00 0.00 58.87 57.71 2bly n SER 36 Cb 1.10 0.13 0.02 0.00 -0.26 0.00 0.00 64.21 65.19 2bly n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2bly n ASN 37 N -0.13 -5.02 -0.76 4.04 5.15 0.18 -2.07 115.26 116.67 2bly n ASN 37 Ca 0.00 -0.30 -0.10 0.00 -0.60 0.00 0.00 54.58 53.58 2bly n ASN 37 Cb 0.08 -4.10 -0.04 0.00 -0.53 0.00 0.00 39.78 35.19 2bly n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2bly n PHE 38 N -4.21 0.00 -3.56 1.20 3.72 -1.19 -4.83 117.46 108.58 2bly n PHE 38 Ca -0.08 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.92 2bly n PHE 38 Cb 0.59 -1.95 -0.11 0.00 -0.94 0.00 0.00 39.48 37.07 2bly n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bly s ASN 39 N -2.82 5.90 0.56 4.37 2.47 -0.88 -1.10 114.94 123.45 2bly s ASN 39 Ca 0.00 -0.60 0.32 0.00 0.42 0.00 0.00 52.86 53.00 2bly s ASN 39 Cb 0.00 -2.09 1.68 0.00 -1.45 0.00 0.00 41.25 39.38 2bly s ASN 39 CO 0.00 -0.28 2.15 0.71 -3.72 0.00 0.00 177.10 175.95 2bly h THR 40 N 5.60 0.39 -0.12 -5.21 1.35 -1.16 -2.74 112.91 111.03 2bly h THR 40 Ca -0.30 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 2bly h THR 40 Cb 1.14 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2bly h THR 40 CO 0.65 0.07 0.00 0.00 -0.25 0.00 0.00 175.52 175.98 2bly n GLN 41 N -3.51 1.62 -1.78 4.72 6.02 -1.26 -3.98 117.38 119.22 2bly n GLN 41 Ca -0.02 -0.93 -0.41 0.00 -0.01 0.00 0.00 57.00 55.63 2bly n GLN 41 Cb 0.19 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.04 2bly n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bly s ALA 42 N -1.85 3.74 0.01 -1.58 0.00 -1.03 -4.80 121.76 116.24 2bly s ALA 42 Ca 0.33 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.87 2bly s ALA 42 Cb 0.18 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 2bly s ALA 42 CO 0.27 -0.99 -0.03 0.95 0.00 0.00 0.00 175.76 175.96 2bly s THR 43 N -0.03 0.19 -0.11 0.00 -4.23 -1.26 -0.66 115.64 109.53 2bly s THR 43 Ca 0.63 -0.41 -0.07 0.00 -1.18 0.00 0.00 61.69 60.66 2bly s THR 43 Cb -0.48 -0.22 0.04 0.00 1.34 0.00 0.00 72.50 73.18 2bly s THR 43 CO 0.48 -0.14 0.28 0.20 -0.54 0.00 0.00 174.62 174.90 2bly s ASN 44 N -0.58 -0.30 0.20 3.99 -0.87 -0.65 -4.97 114.94 111.75 2bly s ASN 44 Ca -0.05 0.58 -0.30 0.00 -1.57 0.00 0.00 52.86 51.53 2bly s ASN 44 Cb -0.04 0.50 -0.08 0.00 -0.02 0.00 0.00 41.25 41.61 2bly s ASN 44 CO -0.00 -0.15 0.94 -0.60 -2.57 0.00 0.00 177.10 174.72 2bly s ARG 45 N 0.92 4.80 0.43 -0.60 6.06 -1.26 -0.64 118.95 128.66 2bly s ARG 45 Ca -0.06 1.46 0.02 0.00 -2.50 0.00 0.00 55.73 54.65 2bly s ARG 45 Cb -0.07 -3.31 -0.00 0.00 0.06 0.00 0.00 34.95 31.63 2bly s ARG 45 CO -0.06 0.44 0.63 -0.80 -2.50 0.00 0.00 175.30 173.00 2bly s ASN 46 N -0.86 5.87 0.27 -2.12 0.02 0.33 -4.95 114.94 113.50 2bly s ASN 46 Ca 0.42 0.19 -0.00 0.00 -1.02 0.00 0.00 52.86 52.45 2bly s ASN 46 Cb -0.25 -1.48 0.53 0.00 0.02 0.00 0.00 41.25 40.07 2bly s ASN 46 CO 0.31 -0.64 1.81 0.71 0.02 0.00 0.00 177.10 179.31 2bly h THR 47 N 0.50 0.85 0.00 1.60 1.35 -1.97 -1.20 112.91 114.03 2bly h THR 47 Ca -0.46 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 2bly h THR 47 Cb 1.25 -0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2bly h THR 47 CO 0.56 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.09 2bly n ASP 48 N -4.72 0.00 0.00 5.36 5.75 -1.26 -4.89 116.55 116.79 2bly n ASP 48 Ca 0.18 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2bly n ASP 48 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 2bly n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bly n GLY 49 N 0.83 1.18 3.74 6.12 0.00 -0.45 -5.04 105.19 111.56 2bly n GLY 49 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 2bly n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bly s SER 50 N -2.93 2.99 0.03 1.61 1.04 -1.26 -4.75 113.70 110.43 2bly s SER 50 Ca 0.00 0.97 0.01 0.00 0.48 0.00 0.00 55.95 57.42 2bly s SER 50 Cb 0.00 -1.53 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 2bly s SER 50 CO 0.00 -2.88 -0.05 -0.89 0.98 0.00 0.00 173.24 170.40 2bly s THR 51 N -3.18 0.36 -0.10 2.02 2.01 -1.26 -0.51 115.64 114.97 2bly s THR 51 Ca 0.65 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 2bly s THR 51 Cb -0.15 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2bly s THR 51 CO 0.55 -0.31 0.05 -1.81 -0.69 0.00 0.00 174.62 172.41 2bly s ASP 52 N -1.20 5.61 -0.04 3.53 1.01 0.18 -1.04 116.67 124.72 2bly s ASP 52 Ca -0.09 0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.46 2bly s ASP 52 Cb -0.08 -1.66 -0.00 0.00 1.01 0.00 0.00 42.92 42.18 2bly s ASP 52 CO -0.00 0.39 -0.14 -0.31 0.21 0.00 0.00 175.17 175.31 2bly s TYR 53 N -0.93 1.45 0.00 4.23 1.51 -0.11 -1.64 117.35 121.86 2bly s TYR 53 Ca 0.14 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 2bly s TYR 53 Cb -0.12 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.75 2bly s TYR 53 CO 0.03 -0.14 0.00 0.41 -1.11 0.00 0.00 175.55 174.74 2bly n GLY 54 N 3.17 -2.06 0.28 0.71 0.00 0.16 -1.63 105.19 105.82 2bly n GLY 54 Ca -0.18 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.31 2bly n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2bly h ILE 55 N 0.00 0.58 -0.09 -0.61 2.10 -1.72 -1.69 117.51 116.07 2bly h ILE 55 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2bly h ILE 55 Cb 0.00 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2bly h ILE 55 CO 0.00 0.06 0.00 0.18 -1.08 0.00 0.00 178.15 177.31 2bly n LEU 56 N -3.79 2.64 -3.86 2.19 4.77 -1.26 -4.09 117.00 113.59 2bly n LEU 56 Ca -0.02 -2.66 -0.32 0.00 -0.03 0.00 0.00 56.01 52.98 2bly n LEU 56 Cb 0.16 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 2bly n LEU 56 CO 0.29 0.65 -0.16 0.00 -1.33 0.00 0.00 177.39 176.84 2bly n GLN 57 N -0.77 -1.79 -2.56 3.23 1.13 -0.64 -4.90 117.38 111.09 2bly n GLN 57 Ca 0.12 0.37 -0.42 0.00 -1.94 0.00 0.00 57.00 55.13 2bly n GLN 57 Cb 0.56 -4.00 -0.03 0.00 0.11 0.00 0.00 30.24 26.88 2bly n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2bly s ILE 58 N -3.68 4.32 -0.09 5.09 1.01 -0.65 -4.32 121.20 122.87 2bly s ILE 58 Ca 0.30 1.73 -0.20 0.00 0.00 0.00 0.00 60.65 62.48 2bly s ILE 58 Cb -0.12 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 2bly s ILE 58 CO 0.89 0.17 0.55 0.21 0.00 0.00 0.00 174.94 176.76 2bly s ASN 59 N 0.75 6.80 0.03 3.58 3.84 -1.26 -0.94 114.94 127.74 2bly s ASN 59 Ca 0.54 0.95 0.14 0.00 0.21 0.00 0.00 52.86 54.70 2bly s ASN 59 Cb -0.26 -2.33 0.58 0.00 -0.55 0.00 0.00 41.25 38.69 2bly s ASN 59 CO 0.30 -0.01 1.43 -1.54 -2.79 0.00 0.00 177.10 174.49 2bly n SER 60 N 3.54 0.07 -0.23 -4.21 3.41 -0.21 -1.43 113.62 114.56 2bly n SER 60 Ca -0.06 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2bly n SER 60 Cb 0.51 -0.53 0.24 0.00 -0.26 0.00 0.00 64.21 64.17 2bly n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2bly h ARG 61 N 0.00 1.01 0.00 4.33 9.65 -1.83 -3.38 114.38 124.16 2bly h ARG 61 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2bly h ARG 61 Cb 0.22 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2bly h ARG 61 CO 0.00 0.67 -0.87 0.91 2.80 0.00 0.00 179.97 183.48 2bly n TRP 62 N -4.42 0.00 -0.01 2.20 7.02 -1.06 -1.40 117.44 119.77 2bly n TRP 62 Ca 0.08 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.61 2bly n TRP 62 Cb 0.03 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.84 2bly n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2bly n TRP 63 N -2.01 0.00 -3.83 -5.99 7.02 -0.51 -0.87 117.44 111.25 2bly n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 2bly n TRP 63 Cb 0.43 -0.24 -0.06 0.00 -2.42 0.00 0.00 31.31 29.02 2bly n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2bly s ASN 65 N -2.87 5.84 0.00 0.00 2.47 -0.23 -4.54 114.94 115.60 2bly s ASN 65 Ca 0.08 -0.03 0.05 0.00 0.42 0.00 0.00 52.86 53.38 2bly s ASN 65 Cb 0.04 -2.07 0.09 0.00 -1.45 0.00 0.00 41.25 37.85 2bly s ASN 65 CO -0.08 -0.02 0.88 -0.90 -3.72 0.00 0.00 177.10 173.26 2bly n ASP 66 N 4.84 1.90 0.00 -4.21 5.68 -1.26 -0.75 116.55 122.76 2bly n ASP 66 Ca -0.15 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.56 2bly n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2bly n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bly n GLY 67 N 0.15 0.72 0.98 6.12 0.00 -1.26 -4.79 105.19 107.12 2bly n GLY 67 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2bly n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bly n ARG 68 N -2.00 0.00 -3.81 1.61 1.85 -1.26 -4.92 116.66 108.12 2bly n ARG 68 Ca 0.00 -1.41 -0.28 0.00 -1.00 0.00 0.00 57.85 55.16 2bly n ARG 68 Cb 0.00 -0.20 -0.11 0.00 -1.05 0.00 0.00 32.46 31.09 2bly n ARG 68 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2bly n THR 69 N 0.23 1.77 -1.69 8.89 -1.04 -1.26 -4.85 114.28 116.33 2bly n THR 69 Ca 0.02 -4.94 -0.44 0.00 -2.04 0.00 0.00 64.05 56.65 2bly n THR 69 Cb 0.90 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 2bly n THR 69 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2bly n PRO 70 N 1.75 2.30 -0.87 -2.82 -0.02 -1.26 -1.84 135.00 132.24 2bly n PRO 70 Ca 0.22 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2bly n PRO 70 Cb 0.36 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 2bly n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bly n GLY 71 N 2.67 0.73 3.92 -1.23 0.00 -1.26 -5.03 105.19 104.99 2bly n GLY 71 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2bly n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bly s SER 72 N -2.44 4.40 0.49 1.61 1.04 -0.77 -5.09 113.70 112.94 2bly s SER 72 Ca 0.00 0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.99 2bly s SER 72 Cb 0.00 -0.96 0.02 0.00 0.10 0.00 0.00 66.02 65.18 2bly s SER 72 CO 0.00 -1.91 0.49 -0.13 0.98 0.00 0.00 173.24 172.68 2bly s ARG 73 N -5.46 2.44 -0.40 4.02 1.81 -0.49 -4.99 118.95 115.88 2bly s ARG 73 Ca 0.63 -1.66 0.10 0.00 -1.72 0.00 0.00 55.73 53.09 2bly s ARG 73 Cb -0.09 -2.40 0.32 0.00 -0.45 0.00 0.00 34.95 32.33 2bly s ARG 73 CO 0.47 -0.46 0.70 -1.71 -0.68 0.00 0.00 175.30 173.62 2bly n ASN 74 N -1.79 1.03 0.24 0.23 5.15 -1.16 -3.59 115.26 115.37 2bly n ASN 74 Ca 0.05 -3.00 0.12 0.00 -0.60 0.00 0.00 54.58 51.15 2bly n ASN 74 Cb 0.62 -0.62 0.49 0.00 -0.53 0.00 0.00 39.78 39.74 2bly n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2bly h LEU 75 N 3.26 0.00 -0.42 1.20 3.38 -1.02 -0.83 115.31 120.88 2bly h LEU 75 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2bly h LEU 75 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2bly h LEU 75 CO 0.52 0.14 -0.12 0.00 0.09 0.00 0.00 178.44 179.08 2bly n ASN 77 N -0.66 -3.16 -3.79 0.00 5.15 -0.32 -5.01 115.26 107.48 2bly n ASN 77 Ca 0.16 -0.78 -0.12 0.00 -0.60 0.00 0.00 54.58 53.23 2bly n ASN 77 Cb 0.30 -4.44 -0.08 0.00 -0.53 0.00 0.00 39.78 35.02 2bly n ASN 77 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2bly s ILE 78 N -3.51 0.08 0.37 -1.44 -4.36 -1.26 -5.06 121.20 106.01 2bly s ILE 78 Ca 0.17 -0.62 -0.27 0.00 -0.26 0.00 0.00 60.65 59.68 2bly s ILE 78 Cb -0.04 -0.70 -0.09 0.00 1.25 0.00 0.00 42.46 42.88 2bly s ILE 78 CO 0.79 -0.34 1.24 -2.16 0.24 0.00 0.00 174.94 174.71 2bly s PRO 79 N -1.79 4.15 0.52 0.37 0.04 -1.26 -1.07 135.00 135.95 2bly s PRO 79 Ca -0.11 2.04 0.18 0.00 0.04 0.00 0.00 61.00 63.15 2bly s PRO 79 Cb -0.04 -2.85 1.28 0.00 0.04 0.00 0.00 34.50 32.94 2bly s PRO 79 CO 0.01 -0.30 2.12 0.00 0.04 0.00 0.00 177.00 178.87 2bly h SER 81 N 0.02 0.00 0.06 0.00 4.64 -1.91 -0.54 113.55 115.82 2bly h SER 81 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2bly h SER 81 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2bly h SER 81 CO -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 176.83 175.95 2bly h ALA 82 N 2.00 1.25 -0.00 5.18 0.00 -1.49 -1.69 119.26 124.50 2bly h ALA 82 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bly h ALA 82 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2bly h ALA 82 CO 0.00 0.01 -0.00 1.28 0.00 0.00 0.00 179.25 180.54 2bly n LEU 83 N -3.45 0.27 -0.54 0.00 4.77 -0.21 -3.42 117.00 114.41 2bly n LEU 83 Ca -0.03 -0.08 0.08 0.00 -0.03 0.00 0.00 56.01 55.96 2bly n LEU 83 Cb 0.10 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2bly n LEU 83 CO 0.24 0.04 0.40 0.18 -1.33 0.00 0.00 177.39 176.93 2bly n LEU 84 N -0.81 2.07 -4.71 2.23 4.77 -0.64 -3.81 117.00 116.11 2bly n LEU 84 Ca 0.23 -0.89 -0.33 0.00 -0.03 0.00 0.00 56.01 54.99 2bly n LEU 84 Cb 0.16 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2bly n LEU 84 CO 0.18 0.38 0.74 -0.55 -1.33 0.00 0.00 177.39 176.81 2bly s SER 85 N -1.65 3.82 0.52 -1.43 0.15 -1.22 -4.16 113.70 109.72 2bly s SER 85 Ca 0.17 2.21 0.27 0.00 0.70 0.00 0.00 55.95 59.30 2bly s SER 85 Cb 0.14 -2.57 1.42 0.00 -1.71 0.00 0.00 66.02 63.30 2bly s SER 85 CO 0.30 -2.51 2.06 0.77 1.20 0.00 0.00 173.24 175.07 2bly h SER 86 N -0.96 0.00 -3.41 5.45 4.64 -1.94 -3.40 113.55 113.93 2bly h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 2bly h SER 86 Cb 1.27 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.27 2bly h SER 86 CO 0.47 0.12 0.17 -0.62 -0.87 0.00 0.00 176.83 176.10 2bly s ASP 87 N -6.16 6.70 0.00 4.97 -1.08 -1.26 -4.95 116.67 114.88 2bly s ASP 87 Ca -0.03 0.85 0.13 0.00 -0.52 0.00 0.00 52.55 52.99 2bly s ASP 87 Cb 0.13 -2.36 0.44 0.00 -1.46 0.00 0.00 42.92 39.67 2bly s ASP 87 CO 0.59 -0.31 1.34 2.30 0.52 0.00 0.00 175.17 179.60 2bly n ILE 88 N 4.81 0.38 -0.08 4.11 -5.35 -1.26 -4.42 119.36 117.55 2bly n ILE 88 Ca -0.00 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 62.00 2bly n ILE 88 Cb 0.49 0.26 -0.00 0.00 -1.74 0.00 0.00 39.64 38.65 2bly n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2bly h THR 89 N 2.01 0.62 -0.70 7.28 2.02 -1.94 -0.30 112.91 121.89 2bly h THR 89 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2bly h THR 89 Cb 0.45 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 2bly h THR 89 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 2bly h ALA 90 N 1.24 0.91 -0.53 6.16 0.00 -1.85 -0.41 119.26 124.78 2bly h ALA 90 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2bly h ALA 90 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bly h ALA 90 CO -0.35 0.54 0.22 0.77 0.00 0.00 0.00 179.25 180.42 2bly h SER 91 N 1.00 0.72 -0.26 0.00 0.02 -1.65 -1.04 113.55 112.35 2bly h SER 91 Ca 0.23 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2bly h SER 91 Cb 0.22 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 2bly h SER 91 CO -0.02 0.69 0.03 0.58 -1.14 0.00 0.00 176.83 176.98 2bly h VAL 92 N 0.71 1.23 -0.73 2.27 2.07 -0.70 0.66 116.25 121.76 2bly h VAL 92 Ca 0.18 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 2bly h VAL 92 Cb 0.19 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2bly h VAL 92 CO -0.02 0.25 0.45 0.78 0.02 0.00 0.00 177.57 179.06 2bly h ASN 93 N 0.23 0.87 -0.47 0.57 2.35 -0.94 -1.00 115.58 117.20 2bly h ASN 93 Ca 0.08 -0.06 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2bly h ASN 93 Cb 0.35 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2bly h ASN 93 CO 0.01 0.67 -0.15 0.00 -1.65 0.00 0.00 177.43 176.30 2bly h ALA 95 N 0.87 1.57 -0.87 0.00 0.00 -0.42 -0.89 119.26 119.53 2bly h ALA 95 Ca 0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2bly h ALA 95 Cb 0.72 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2bly h ALA 95 CO 0.05 0.37 0.56 0.87 0.00 0.00 0.00 179.25 181.11 2bly h LYS 96 N 0.87 1.08 -0.04 0.00 1.57 -1.07 -0.57 116.57 118.41 2bly h LYS 96 Ca 0.27 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2bly h LYS 96 Cb 0.00 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2bly h LYS 96 CO -0.07 0.72 0.00 -0.22 -0.57 0.00 0.00 179.45 179.31 2bly h LYS 97 N 1.11 0.06 -0.48 3.15 3.64 -1.09 -3.04 116.57 119.93 2bly h LYS 97 Ca 0.34 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 2bly h LYS 97 Cb -0.04 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2bly h LYS 97 CO -0.10 0.33 0.22 0.82 -2.27 0.00 0.00 179.45 178.45 2bly h ILE 98 N -0.21 0.93 0.00 2.00 2.04 -0.85 -2.07 117.51 119.35 2bly h ILE 98 Ca 0.01 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.72 2bly h ILE 98 Cb 0.30 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2bly h ILE 98 CO 0.00 0.08 0.00 0.55 0.00 0.00 0.00 178.15 178.78 2bly n VAL 99 N -4.92 0.82 1.17 1.67 3.14 -0.26 -1.87 118.33 118.08 2bly n VAL 99 Ca 0.04 0.20 0.12 0.00 -2.96 0.00 0.00 64.34 61.74 2bly n VAL 99 Cb 0.14 -1.12 0.37 0.00 -1.06 0.00 0.00 33.84 32.17 2bly n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2bly n SER 100 N -2.21 1.99 0.07 6.55 7.64 -0.79 -3.74 113.62 123.14 2bly n SER 100 Ca 0.02 -1.71 0.13 0.00 1.01 0.00 0.00 58.87 58.32 2bly n SER 100 Cb 0.24 -0.08 0.47 0.00 -1.01 0.00 0.00 64.21 63.83 2bly n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bly n ASP 101 N 0.54 0.55 0.00 6.43 2.03 -0.78 -4.92 116.55 120.39 2bly n ASP 101 Ca 0.17 0.56 0.00 0.00 0.52 0.00 0.00 54.79 56.04 2bly n ASP 101 Cb 0.40 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.10 2bly n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bly n GLY 102 N 1.25 1.67 1.11 0.27 0.00 -1.26 -4.96 105.19 103.27 2bly n GLY 102 Ca 0.06 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.01 2bly n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bly n ASN 103 N 0.00 3.50 0.00 1.61 3.02 -1.26 -5.06 115.26 117.06 2bly n ASN 103 Ca 0.00 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 2bly n ASN 103 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 2bly n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bly n GLY 104 N 1.35 2.26 0.00 7.41 0.00 -1.25 -2.00 105.19 112.96 2bly n GLY 104 Ca 0.19 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.92 2bly n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bly n MET 105 N 10.04 0.60 0.17 1.61 2.81 -1.26 -2.75 117.12 128.34 2bly n MET 105 Ca 0.00 0.02 0.13 0.00 -1.81 0.00 0.00 57.70 56.04 2bly n MET 105 Cb 0.00 -1.50 0.62 0.00 -0.71 0.00 0.00 33.22 31.63 2bly n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2bly h ASN 106 N 0.00 0.00 -0.69 7.83 2.35 -1.82 -1.07 115.58 122.17 2bly h ASN 106 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 2bly h ASN 106 Cb 0.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 2bly h ASN 106 CO 0.00 0.00 0.47 0.00 -1.65 0.00 0.00 177.43 176.25 2bly h ALA 107 N 2.08 2.25 -1.97 -0.83 0.00 -1.66 -3.34 119.26 115.79 2bly h ALA 107 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 2bly h ALA 107 Cb 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 17.79 17.71 2bly h ALA 107 CO 0.00 -0.44 0.11 -1.58 0.00 0.00 0.00 179.25 177.34 2bly s TRP 108 N -5.28 3.00 0.38 0.00 0.51 -0.41 -4.94 118.94 112.20 2bly s TRP 108 Ca -0.07 -0.75 0.06 0.00 -2.12 0.00 0.00 56.10 53.22 2bly s TRP 108 Cb 0.21 -3.83 0.78 0.00 -0.81 0.00 0.00 33.47 29.82 2bly s TRP 108 CO 0.76 -1.20 1.99 -0.24 -0.51 0.00 0.00 176.95 177.75 2bly h VAL 109 N 5.90 1.05 -0.03 4.03 3.04 -1.84 -0.75 116.25 127.66 2bly h VAL 109 Ca -0.29 -0.24 -0.09 0.00 -1.01 0.00 0.00 66.70 65.08 2bly h VAL 109 Cb 1.09 0.30 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 2bly h VAL 109 CO 1.05 0.13 -0.40 0.00 -1.01 0.00 0.00 177.57 177.34 2bly h ALA 110 N 1.64 1.28 -0.17 3.17 0.00 -1.93 -0.45 119.26 122.81 2bly h ALA 110 Ca 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2bly h ALA 110 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2bly h ALA 110 CO -0.07 0.53 0.03 2.35 0.00 0.00 0.00 179.25 182.08 2bly h TRP 111 N 0.06 0.30 -0.52 0.00 7.01 -1.46 -0.61 115.95 120.72 2bly h TRP 111 Ca 0.00 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.98 2bly h TRP 111 Cb 0.73 -0.08 -0.03 0.00 -2.10 0.00 0.00 29.16 27.68 2bly h TRP 111 CO 0.00 0.43 0.32 -0.09 -2.79 0.00 0.00 178.44 176.31 2bly h ARG 112 N 0.08 0.62 0.00 2.65 2.43 -0.93 0.66 114.38 119.88 2bly h ARG 112 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2bly h ARG 112 Cb 0.29 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2bly h ARG 112 CO 0.00 0.41 -0.41 -0.91 -1.51 0.00 0.00 179.97 177.55 2bly h ASN 113 N 0.64 0.00 0.00 -3.80 2.35 -0.98 -3.36 115.58 110.43 2bly h ASN 113 Ca 0.21 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2bly h ASN 113 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2bly h ASN 113 CO -0.08 0.01 -0.26 0.54 -1.65 0.00 0.00 177.43 175.98 2bly n ARG 114 N -2.85 3.71 0.00 0.81 1.74 -0.25 -4.91 116.66 114.91 2bly n ARG 114 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2bly n ARG 114 Cb 0.53 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2bly n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bly n LYS 116 N -2.64 2.45 -0.92 0.00 4.81 0.05 -1.43 118.16 120.47 2bly n LYS 116 Ca 0.00 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 2bly n LYS 116 Cb 0.43 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.78 2bly n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bly n GLY 117 N 3.78 0.83 3.94 3.14 0.00 -1.26 -4.93 105.19 110.69 2bly n GLY 117 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2bly n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bly s THR 118 N -3.26 2.33 -1.29 2.61 -4.23 -0.52 -5.01 115.64 106.27 2bly s THR 118 Ca 0.00 -1.24 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 2bly s THR 118 Cb 0.00 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.31 2bly s THR 118 CO 0.00 0.00 1.85 -0.67 -0.54 0.00 0.00 174.62 175.26 2bly n ASP 119 N -1.83 4.45 0.28 3.99 2.03 -1.26 -4.76 116.55 119.44 2bly n ASP 119 Ca 0.06 -2.87 0.17 0.00 0.52 0.00 0.00 54.79 52.67 2bly n ASP 119 Cb 0.62 -1.71 0.70 0.00 -0.72 0.00 0.00 41.12 40.01 2bly n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 2bly h VAL 120 N 5.37 0.04 0.00 5.18 -1.51 -1.91 -2.28 116.25 121.14 2bly h VAL 120 Ca 0.44 -0.52 -0.01 0.00 -1.23 0.00 0.00 66.70 65.37 2bly h VAL 120 Cb 0.84 1.50 -0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2bly h VAL 120 CO 1.51 0.02 -0.05 -0.61 -1.23 0.00 0.00 177.57 177.20 2bly h GLN 121 N 0.00 0.00 -0.85 5.19 -0.00 -1.87 -1.12 115.11 116.46 2bly h GLN 121 Ca -0.00 0.00 0.21 0.00 -0.00 0.00 0.00 58.65 58.86 2bly h GLN 121 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 27.48 27.92 2bly h GLN 121 CO 0.00 0.05 0.58 0.00 0.00 0.00 0.00 178.83 179.46 2bly h ALA 122 N 1.95 2.36 0.00 3.38 0.00 -1.80 -0.65 119.26 124.50 2bly h ALA 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bly h ALA 122 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2bly h ALA 122 CO 0.01 -0.63 0.00 -1.49 0.00 0.00 0.00 179.25 177.14 2bly h TRP 123 N 0.28 0.00 -0.12 0.00 4.06 -1.40 -2.77 115.95 116.00 2bly h TRP 123 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 2bly h TRP 123 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2bly h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 2bly n ILE 124 N -2.64 0.62 -2.20 1.49 -5.35 -0.29 -4.82 119.36 106.17 2bly n ILE 124 Ca 0.01 -0.81 -0.40 0.00 -0.27 0.00 0.00 62.75 61.28 2bly n ILE 124 Cb 0.23 0.73 -0.02 0.00 -1.74 0.00 0.00 39.64 38.84 2bly n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2bly s ARG 125 N -0.81 4.30 0.00 6.28 3.52 -0.93 -2.03 118.95 129.28 2bly s ARG 125 Ca 0.10 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 2bly s ARG 125 Cb 0.06 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.47 2bly s ARG 125 CO 0.08 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.80 2bly n GLY 126 N 0.82 3.12 3.79 8.12 0.00 -1.26 -5.03 105.19 114.76 2bly n GLY 126 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2bly n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bly s ARG 128 N -2.53 2.99 0.00 0.00 3.52 -1.26 -5.12 118.95 116.55 2bly s ARG 128 Ca 0.56 -1.96 0.00 0.00 -0.13 0.00 0.00 55.73 54.20 2bly s ARG 128 Cb -0.16 -4.20 0.00 0.00 -1.56 0.00 0.00 34.95 29.03 2bly s ARG 128 CO 0.20 -1.28 0.33 1.28 -0.81 0.00 0.00 175.30 175.02