#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ykx s VAL 2 N 0.00 4.47 0.55 3.15 1.01 -1.26 -1.29 120.40 127.04 1ykx s VAL 2 Ca 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.82 1ykx s VAL 2 Cb 0.00 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.78 1ykx s VAL 2 CO 0.00 -0.29 1.08 -0.36 0.00 0.00 0.00 175.10 175.53 1ykx s PHE 3 N 1.52 2.85 0.46 5.22 0.08 -0.30 -5.00 117.98 122.81 1ykx s PHE 3 Ca 0.02 1.55 -0.06 0.00 0.12 0.00 0.00 56.93 58.56 1ykx s PHE 3 Cb -0.20 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.08 1ykx s PHE 3 CO 0.06 -1.22 0.77 0.20 -0.10 0.00 0.00 175.22 174.92 1ykx s GLY 4 N -2.19 1.58 0.10 4.36 0.00 -1.26 -4.86 107.32 105.04 1ykx s GLY 4 Ca 0.68 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 44.61 1ykx s GLY 4 CO 0.29 -0.30 1.59 -0.09 0.00 0.00 0.00 173.10 174.59 1ykx h ARG 5 N 0.46 -0.78 -0.21 2.90 2.43 -1.97 -1.46 114.38 115.75 1ykx h ARG 5 Ca -0.47 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 1ykx h ARG 5 Cb 1.20 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1ykx h ARG 5 CO 0.62 -0.52 -0.30 0.00 -1.51 0.00 0.00 179.97 178.26 1ykx h GLU 7 N 0.36 0.95 -0.35 0.00 4.81 -1.90 -1.12 114.58 117.33 1ykx h GLU 7 Ca 0.05 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1ykx h GLU 7 Cb 0.71 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ykx h GLU 7 CO 0.05 0.63 -0.36 1.25 -0.73 0.00 0.00 179.01 179.85 1ykx h LEU 8 N 0.97 0.92 -0.59 1.64 5.85 -1.11 -2.11 115.31 120.90 1ykx h LEU 8 Ca 0.26 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1ykx h LEU 8 Cb -0.11 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.61 1ykx h LEU 8 CO -0.06 1.20 0.32 0.00 -0.34 0.00 0.00 178.44 179.57 1ykx h ALA 9 N 0.75 0.77 -0.57 1.25 0.00 -1.07 0.14 119.26 120.53 1ykx h ALA 9 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1ykx h ALA 9 Cb 0.95 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1ykx h ALA 9 CO 0.09 0.01 0.21 0.00 0.00 0.00 0.00 179.25 179.56 1ykx h ALA 10 N 1.30 0.74 -0.39 0.00 0.00 -1.13 -0.86 119.26 118.92 1ykx h ALA 10 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ykx h ALA 10 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ykx h ALA 10 CO -0.15 0.36 0.13 0.00 0.00 0.00 0.00 179.25 179.59 1ykx h ALA 11 N 1.07 0.50 -0.71 0.00 0.00 -0.70 -1.39 119.26 118.03 1ykx h ALA 11 Ca 0.19 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ykx h ALA 11 Cb 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1ykx h ALA 11 CO -0.01 0.14 0.16 0.52 0.00 0.00 0.00 179.25 180.06 1ykx h MET 12 N 0.48 1.14 -0.41 0.00 2.86 -0.58 -2.21 114.93 116.20 1ykx h MET 12 Ca 0.13 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ykx h MET 12 Cb 0.24 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1ykx h MET 12 CO -0.01 1.01 0.21 -0.22 1.06 0.00 0.00 176.91 178.96 1ykx h LYS 13 N 1.07 0.59 0.00 1.72 3.64 -0.99 -1.78 116.57 120.83 1ykx h LYS 13 Ca 0.22 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ykx h LYS 13 Cb 0.39 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ykx h LYS 13 CO 0.00 0.49 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.55 1ykx h ARG 14 N 0.53 0.00 -0.42 1.90 2.43 -1.02 -1.17 114.38 116.62 1ykx h ARG 14 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ykx h ARG 14 Cb 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ykx h ARG 14 CO -0.02 0.04 0.00 0.72 -1.51 0.00 0.00 179.97 179.20 1ykx n HIS 15 N -4.05 0.56 -0.93 2.20 8.25 -0.74 -4.94 115.22 115.58 1ykx n HIS 15 Ca -0.03 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 1ykx n HIS 15 Cb 0.13 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1ykx n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ykx n GLY 16 N 1.22 0.44 0.18 -1.41 0.00 -0.44 -4.97 105.19 100.20 1ykx n GLY 16 Ca 0.15 -0.85 0.09 0.00 0.00 0.00 0.00 46.02 45.40 1ykx n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ykx h LEU 17 N 0.00 0.00 -9.23 0.99 3.38 -1.55 -3.40 115.31 105.50 1ykx h LEU 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1ykx h LEU 17 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ykx h LEU 17 CO 0.00 0.18 1.18 -0.62 0.09 0.00 0.00 178.44 179.27 1ykx s ASP 18 N -6.15 6.42 -0.28 -0.43 2.15 -1.26 -1.56 116.67 115.57 1ykx s ASP 18 Ca 0.05 2.25 0.00 0.00 0.43 0.00 0.00 52.55 55.28 1ykx s ASP 18 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1ykx s ASP 18 CO 0.71 -1.13 0.00 0.59 -0.17 0.00 0.00 175.17 175.18 1ykx n ASN 19 N 7.94 -4.37 -4.67 -0.34 5.03 0.20 -4.88 115.26 114.17 1ykx n ASN 19 Ca 0.20 0.06 -0.42 0.00 0.87 0.00 0.00 54.58 55.29 1ykx n ASN 19 Cb 0.43 -2.10 -0.03 0.00 -1.02 0.00 0.00 39.78 37.06 1ykx n ASN 19 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ykx s TYR 20 N -1.74 1.92 -1.85 3.10 5.04 -0.60 -1.34 117.35 121.87 1ykx s TYR 20 Ca 0.00 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 1ykx s TYR 20 Cb 0.00 -3.99 0.00 0.00 0.35 0.00 0.00 41.96 38.32 1ykx s TYR 20 CO 0.00 -4.21 0.00 0.54 -1.34 0.00 0.00 175.55 170.54 1ykx n ARG 21 N 6.92 -1.58 -0.71 4.97 5.12 -1.26 -2.16 116.66 127.95 1ykx n ARG 21 Ca 0.18 1.05 0.00 0.00 -1.93 0.00 0.00 57.85 57.14 1ykx n ARG 21 Cb 0.42 -5.62 0.00 0.00 -1.16 0.00 0.00 32.46 26.10 1ykx n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ykx n GLY 22 N -0.89 0.83 3.51 -0.13 0.00 -0.45 -5.03 105.19 103.03 1ykx n GLY 22 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1ykx n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ykx s TYR 23 N -3.22 3.19 0.79 1.61 2.02 -0.92 -4.89 117.35 115.93 1ykx s TYR 23 Ca 0.00 -0.19 -0.13 0.00 -0.37 0.00 0.00 57.07 56.38 1ykx s TYR 23 Cb 0.00 -2.80 0.07 0.00 -0.40 0.00 0.00 41.96 38.83 1ykx s TYR 23 CO 0.00 -0.58 1.19 -1.54 -1.57 0.00 0.00 175.55 173.06 1ykx s SER 24 N 1.77 3.80 0.27 2.29 1.04 -1.26 -0.63 113.70 120.98 1ykx s SER 24 Ca 0.12 2.31 -0.01 0.00 0.48 0.00 0.00 55.95 58.86 1ykx s SER 24 Cb -0.17 -2.58 0.60 0.00 0.10 0.00 0.00 66.02 63.97 1ykx s SER 24 CO 0.13 -2.52 1.69 0.25 0.98 0.00 0.00 173.24 173.76 1ykx h LEU 25 N -0.78 0.14 -1.67 2.42 6.46 -1.90 -0.90 115.31 119.08 1ykx h LEU 25 Ca -0.46 0.16 0.20 0.00 -0.12 0.00 0.00 57.88 57.66 1ykx h LEU 25 Cb 1.29 0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 41.34 1ykx h LEU 25 CO 0.47 -0.03 0.57 1.23 -0.62 0.00 0.00 178.44 180.06 1ykx h GLY 26 N 0.32 0.58 0.95 3.75 0.00 -1.91 -1.17 103.07 105.60 1ykx h GLY 26 Ca 0.49 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1ykx h GLY 26 CO -0.54 0.00 0.13 3.43 0.00 0.00 0.00 176.54 179.57 1ykx h ASN 27 N 0.28 0.66 -0.11 0.19 2.35 -1.39 -1.35 115.58 116.21 1ykx h ASN 27 Ca 0.42 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.83 1ykx h ASN 27 Cb 1.22 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1ykx h ASN 27 CO -0.12 0.70 -0.38 -0.50 -1.65 0.00 0.00 177.43 175.48 1ykx h TRP 28 N 0.58 0.74 -0.31 1.19 4.06 -1.31 -1.51 115.95 119.40 1ykx h TRP 28 Ca 0.14 -0.21 -0.16 0.00 2.06 0.00 0.00 58.89 60.72 1ykx h TRP 28 Cb 0.28 -0.16 -0.00 0.00 -1.00 0.00 0.00 29.16 28.28 1ykx h TRP 28 CO 0.01 0.92 -0.46 0.28 -3.56 0.00 0.00 178.44 175.63 1ykx h VAL 29 N 0.52 1.28 -0.48 1.49 2.07 -1.35 -1.93 116.25 117.85 1ykx h VAL 29 Ca 0.05 -1.64 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1ykx h VAL 29 Cb 0.90 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ykx h VAL 29 CO 0.08 0.54 0.11 0.00 0.02 0.00 0.00 177.57 178.31 1ykx h ALA 31 N 0.98 0.77 -0.58 0.00 0.00 -1.19 -2.58 119.26 116.66 1ykx h ALA 31 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ykx h ALA 31 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ykx h ALA 31 CO 0.00 0.36 0.18 0.00 0.00 0.00 0.00 179.25 179.79 1ykx h ALA 32 N 1.10 0.76 -0.04 0.00 0.00 -1.18 -0.62 119.26 119.29 1ykx h ALA 32 Ca 0.20 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ykx h ALA 32 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ykx h ALA 32 CO -0.02 0.42 -0.11 -0.22 0.00 0.00 0.00 179.25 179.32 1ykx h LYS 33 N 0.82 -0.16 0.00 0.00 1.63 -1.01 -1.29 116.57 116.56 1ykx h LYS 33 Ca 0.19 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.00 1ykx h LYS 33 Cb 0.28 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1ykx h LYS 33 CO -0.01 -0.11 -0.13 0.74 -3.45 0.00 0.00 179.45 176.49 1ykx h PHE 34 N -0.17 0.00 0.17 1.91 0.05 -1.41 0.19 116.94 117.67 1ykx h PHE 34 Ca 0.05 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.52 1ykx h PHE 34 Cb 0.24 0.00 0.01 0.00 2.00 0.00 0.00 35.95 38.20 1ykx h PHE 34 CO -0.19 0.00 -1.59 0.93 -0.18 0.00 0.00 178.31 177.28 1ykx h GLU 35 N 0.00 0.37 0.00 1.51 4.39 -0.96 -3.43 114.58 116.45 1ykx h GLU 35 Ca 0.00 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 59.08 1ykx h GLU 35 Cb 0.87 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1ykx h GLU 35 CO 0.00 1.30 0.00 -1.13 -1.16 0.00 0.00 179.01 178.02 1ykx n SER 36 N -3.72 0.24 -3.35 1.42 3.41 -0.51 -4.84 113.62 106.26 1ykx n SER 36 Ca -0.24 -0.95 -0.23 0.00 -0.26 0.00 0.00 58.87 57.18 1ykx n SER 36 Cb 1.02 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 65.04 1ykx n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1ykx n ASN 37 N -0.01 -6.27 -1.37 4.04 5.15 0.66 -1.91 115.26 115.54 1ykx n ASN 37 Ca 0.00 -0.43 -0.17 0.00 -0.60 0.00 0.00 54.58 53.37 1ykx n ASN 37 Cb 0.18 -4.99 -0.07 0.00 -0.53 0.00 0.00 39.78 34.37 1ykx n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ykx n PHE 38 N -4.80 -0.06 -3.56 1.20 3.72 -1.19 -4.85 117.46 107.93 1ykx n PHE 38 Ca -0.04 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.96 1ykx n PHE 38 Cb 0.59 -3.01 -0.11 0.00 -0.94 0.00 0.00 39.48 36.01 1ykx n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1ykx s ASN 39 N -2.78 5.99 0.58 4.37 3.84 -0.80 -1.15 114.94 124.99 1ykx s ASN 39 Ca 0.00 -0.35 0.36 0.00 0.21 0.00 0.00 52.86 53.08 1ykx s ASN 39 Cb 0.00 -2.12 1.72 0.00 -0.55 0.00 0.00 41.25 40.30 1ykx s ASN 39 CO 0.00 -0.19 2.12 0.71 -2.79 0.00 0.00 177.10 176.95 1ykx h THR 40 N 5.49 0.08 -0.28 -5.21 1.35 -1.51 -2.86 112.91 109.97 1ykx h THR 40 Ca -0.32 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1ykx h THR 40 Cb 1.16 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 1ykx h THR 40 CO 0.62 0.02 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 1ykx n GLN 41 N -3.16 1.98 -1.95 4.72 6.02 -1.26 -4.02 117.38 119.71 1ykx n GLN 41 Ca -0.01 -1.48 -0.41 0.00 -0.01 0.00 0.00 57.00 55.09 1ykx n GLN 41 Cb 0.22 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1ykx n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ykx s ALA 42 N -1.64 3.65 0.01 -1.58 0.00 -1.08 -4.81 121.76 116.31 1ykx s ALA 42 Ca 0.33 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1ykx s ALA 42 Cb 0.18 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1ykx s ALA 42 CO 0.26 -0.81 -0.03 0.95 0.00 0.00 0.00 175.76 176.14 1ykx s THR 43 N -0.09 0.14 -0.15 0.00 -4.23 -1.26 -0.97 115.64 109.07 1ykx s THR 43 Ca 0.60 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1ykx s THR 43 Cb -0.43 -0.22 0.06 0.00 1.34 0.00 0.00 72.50 73.24 1ykx s THR 43 CO 0.46 -0.28 0.35 0.20 -0.54 0.00 0.00 174.62 174.80 1ykx s ASN 44 N -0.90 -0.37 0.12 3.99 0.01 -0.90 -4.98 114.94 111.91 1ykx s ASN 44 Ca -0.09 0.76 -0.21 0.00 -0.71 0.00 0.00 52.86 52.60 1ykx s ASN 44 Cb -0.06 0.68 -0.07 0.00 0.41 0.00 0.00 41.25 42.20 1ykx s ASN 44 CO -0.00 -0.19 0.66 -0.60 -1.51 0.00 0.00 177.10 175.45 1ykx s ARG 45 N 1.49 4.33 0.29 -0.60 6.06 -1.26 -0.53 118.95 128.72 1ykx s ARG 45 Ca -0.08 0.89 0.06 0.00 -2.50 0.00 0.00 55.73 54.10 1ykx s ARG 45 Cb -0.09 -3.20 -0.02 0.00 0.06 0.00 0.00 34.95 31.69 1ykx s ARG 45 CO -0.11 0.59 0.35 -0.80 -2.50 0.00 0.00 175.30 172.82 1ykx s ASN 46 N -1.20 5.83 0.40 -2.12 0.02 0.11 -4.97 114.94 113.00 1ykx s ASN 46 Ca 0.33 -0.20 0.07 0.00 -1.02 0.00 0.00 52.86 52.04 1ykx s ASN 46 Cb -0.20 -1.37 0.83 0.00 0.02 0.00 0.00 41.25 40.52 1ykx s ASN 46 CO 0.22 -0.25 2.03 0.71 0.02 0.00 0.00 177.10 179.84 1ykx h THR 47 N 1.16 1.12 0.00 1.60 1.35 -1.98 -2.17 112.91 113.98 1ykx h THR 47 Ca -0.48 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1ykx h THR 47 Cb 1.25 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1ykx h THR 47 CO 0.58 0.13 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1ykx n ASP 48 N -4.45 0.00 0.00 5.36 5.75 -1.26 -4.85 116.55 117.10 1ykx n ASP 48 Ca 0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1ykx n ASP 48 Cb 0.09 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1ykx n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ykx n GLY 49 N 0.49 0.74 3.90 6.12 0.00 -0.82 -5.04 105.19 110.58 1ykx n GLY 49 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1ykx n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ykx s SER 50 N -2.08 4.77 0.03 1.61 1.04 -1.26 -4.77 113.70 113.04 1ykx s SER 50 Ca 0.00 0.81 0.03 0.00 0.48 0.00 0.00 55.95 57.27 1ykx s SER 50 Cb 0.00 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 1ykx s SER 50 CO 0.00 -1.73 -0.10 -0.89 0.98 0.00 0.00 173.24 171.50 1ykx s THR 51 N -3.48 0.77 -0.14 2.02 2.01 -1.26 -0.72 115.64 114.84 1ykx s THR 51 Ca 0.61 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 61.65 1ykx s THR 51 Cb -0.11 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 1ykx s THR 51 CO 0.49 -0.12 0.11 -1.81 -0.69 0.00 0.00 174.62 172.59 1ykx s ASP 52 N -1.12 6.06 -0.02 3.53 1.01 0.31 -0.94 116.67 125.51 1ykx s ASP 52 Ca -0.03 0.31 0.05 0.00 0.71 0.00 0.00 52.55 53.60 1ykx s ASP 52 Cb -0.08 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.87 1ykx s ASP 52 CO 0.01 0.32 -0.17 -0.31 0.21 0.00 0.00 175.17 175.22 1ykx s TYR 53 N -0.48 1.57 0.00 4.23 2.02 -0.07 -2.12 117.35 122.51 1ykx s TYR 53 Ca 0.11 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1ykx s TYR 53 Cb -0.12 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.43 1ykx s TYR 53 CO 0.02 -0.03 0.00 0.41 -1.57 0.00 0.00 175.55 174.37 1ykx n GLY 54 N 2.68 -2.01 0.38 0.71 0.00 -0.14 -1.63 105.19 105.17 1ykx n GLY 54 Ca -0.15 -1.39 0.15 0.00 0.00 0.00 0.00 46.02 44.63 1ykx n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ykx h ILE 55 N -0.01 0.73 -0.35 -0.61 6.09 -1.70 -1.50 117.51 120.17 1ykx h ILE 55 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 1ykx h ILE 55 Cb 0.01 0.07 0.00 0.00 0.47 0.00 0.00 36.82 37.37 1ykx h ILE 55 CO 0.00 0.11 0.00 0.18 -3.07 0.00 0.00 178.15 175.37 1ykx n LEU 56 N -4.60 3.48 -3.94 2.19 4.77 -1.26 -4.06 117.00 113.57 1ykx n LEU 56 Ca 0.20 -2.43 -0.39 0.00 -0.03 0.00 0.00 56.01 53.36 1ykx n LEU 56 Cb 0.60 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1ykx n LEU 56 CO 0.27 0.72 -0.16 0.00 -1.33 0.00 0.00 177.39 176.90 1ykx n GLN 57 N 0.20 -0.84 -2.59 3.23 1.13 -0.57 -4.90 117.38 113.05 1ykx n GLN 57 Ca 0.17 0.23 -0.42 0.00 -1.94 0.00 0.00 57.00 55.04 1ykx n GLN 57 Cb 0.65 -3.30 -0.03 0.00 0.11 0.00 0.00 30.24 27.67 1ykx n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ykx s ILE 58 N -3.59 4.48 0.19 5.09 1.01 -0.65 -4.39 121.20 123.35 1ykx s ILE 58 Ca 0.43 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.57 1ykx s ILE 58 Cb -0.20 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.04 1ykx s ILE 58 CO 0.93 0.15 0.96 0.21 0.00 0.00 0.00 174.94 177.18 1ykx s ASN 59 N 0.97 7.58 0.00 3.58 3.84 -1.26 -0.89 114.94 128.76 1ykx s ASN 59 Ca 0.55 1.91 0.24 0.00 0.21 0.00 0.00 52.86 55.76 1ykx s ASN 59 Cb -0.25 -2.60 1.06 0.00 -0.55 0.00 0.00 41.25 38.91 1ykx s ASN 59 CO 0.29 0.06 1.77 -1.54 -2.79 0.00 0.00 177.10 174.89 1ykx n SER 60 N 1.97 0.00 -0.01 -4.21 3.41 -0.12 -2.03 113.62 112.63 1ykx n SER 60 Ca -0.00 0.37 -0.03 0.00 -0.26 0.00 0.00 58.87 58.95 1ykx n SER 60 Cb 0.48 -0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.19 1ykx n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1ykx h ARG 61 N 0.00 0.54 0.00 4.33 9.65 -1.83 -3.40 114.38 123.67 1ykx h ARG 61 Ca 0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 1ykx h ARG 61 Cb 0.37 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1ykx h ARG 61 CO 0.00 0.68 -0.60 0.91 2.80 0.00 0.00 179.97 183.76 1ykx n TRP 62 N -4.18 0.00 -0.07 2.20 7.02 -1.22 -1.03 117.44 120.17 1ykx n TRP 62 Ca 0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.46 1ykx n TRP 62 Cb 0.35 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.08 1ykx n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1ykx n TRP 63 N -1.27 0.00 -3.99 -5.99 7.02 -0.86 -0.79 117.44 111.56 1ykx n TRP 63 Ca 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.39 1ykx n TRP 63 Cb 0.22 -0.80 -0.08 0.00 -2.42 0.00 0.00 31.31 28.22 1ykx n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ykx s ASN 65 N -2.94 5.53 0.00 0.00 2.47 -0.67 -4.58 114.94 114.75 1ykx s ASN 65 Ca 0.13 -0.05 0.02 0.00 0.42 0.00 0.00 52.86 53.38 1ykx s ASN 65 Cb 0.06 -1.98 0.04 0.00 -1.45 0.00 0.00 41.25 37.91 1ykx s ASN 65 CO -0.05 0.04 0.91 -0.90 -3.72 0.00 0.00 177.10 173.38 1ykx n ASP 66 N 4.41 1.89 0.00 -4.21 5.68 -1.26 -1.26 116.55 121.80 1ykx n ASP 66 Ca -0.16 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1ykx n ASP 66 Cb 0.52 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1ykx n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ykx n GLY 67 N -0.21 0.27 0.65 6.12 0.00 -1.26 -4.79 105.19 105.98 1ykx n GLY 67 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1ykx n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ykx n ARG 68 N -1.15 0.22 -3.90 1.61 1.85 -1.26 -4.95 116.66 109.08 1ykx n ARG 68 Ca 0.00 -1.48 -0.29 0.00 -1.00 0.00 0.00 57.85 55.08 1ykx n ARG 68 Cb 0.18 -0.56 -0.13 0.00 -1.05 0.00 0.00 32.46 30.89 1ykx n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1ykx s THR 69 N -0.47 2.59 0.15 8.89 2.01 -1.26 -4.90 115.64 122.64 1ykx s THR 69 Ca 0.12 -3.68 -0.34 0.00 0.31 0.00 0.00 61.69 58.10 1ykx s THR 69 Cb 0.13 -2.75 -0.16 0.00 0.01 0.00 0.00 72.50 69.72 1ykx s THR 69 CO -0.03 -0.91 1.15 -2.65 -0.69 0.00 0.00 174.62 171.49 1ykx n PRO 70 N 2.62 1.00 -3.53 4.92 -0.02 -1.26 -2.53 135.00 136.21 1ykx n PRO 70 Ca 0.12 0.36 -0.25 0.00 -2.02 0.00 0.00 63.50 61.71 1ykx n PRO 70 Cb 0.34 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1ykx n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ykx n GLY 71 N 2.04 -0.52 3.83 -1.23 0.00 -1.26 -4.99 105.19 103.06 1ykx n GLY 71 Ca 0.16 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 46.16 1ykx n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ykx s SER 72 N -3.12 5.24 0.22 1.61 1.04 -1.05 -5.08 113.70 112.56 1ykx s SER 72 Ca 0.53 -0.50 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1ykx s SER 72 Cb -0.25 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 1ykx s SER 72 CO 0.65 -0.31 0.22 -0.13 0.98 0.00 0.00 173.24 174.66 1ykx s ARG 73 N -3.96 3.08 -0.54 4.02 1.81 -0.19 -4.99 118.95 118.18 1ykx s ARG 73 Ca 0.40 -0.90 0.07 0.00 -1.72 0.00 0.00 55.73 53.57 1ykx s ARG 73 Cb -0.06 -2.69 0.31 0.00 -0.45 0.00 0.00 34.95 32.06 1ykx s ARG 73 CO 0.26 0.44 0.82 -1.71 -0.68 0.00 0.00 175.30 174.43 1ykx n ASN 74 N -0.95 3.24 0.03 0.23 5.15 -1.22 -3.45 115.26 118.29 1ykx n ASN 74 Ca -0.08 -3.41 0.14 0.00 -0.60 0.00 0.00 54.58 50.63 1ykx n ASN 74 Cb 0.56 -0.61 0.60 0.00 -0.53 0.00 0.00 39.78 39.81 1ykx n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ykx h LEU 75 N 3.38 0.15 -0.69 1.20 4.07 -1.02 -0.17 115.31 122.24 1ykx h LEU 75 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1ykx h LEU 75 Cb 0.66 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1ykx h LEU 75 CO 0.73 0.09 -0.10 0.00 -1.08 0.00 0.00 178.44 178.08 1ykx n ASN 77 N -0.28 -5.01 -3.64 0.00 5.15 -0.08 -4.99 115.26 106.40 1ykx n ASN 77 Ca 0.16 -1.02 -0.16 0.00 -0.60 0.00 0.00 54.58 52.97 1ykx n ASN 77 Cb 0.34 -3.37 -0.07 0.00 -0.53 0.00 0.00 39.78 36.14 1ykx n ASN 77 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ykx s ILE 78 N -3.49 0.03 0.32 -1.44 1.10 -1.26 -5.08 121.20 111.38 1ykx s ILE 78 Ca 0.45 -0.21 -0.28 0.00 -0.51 0.00 0.00 60.65 60.10 1ykx s ILE 78 Cb -0.16 -0.81 -0.09 0.00 0.15 0.00 0.00 42.46 41.55 1ykx s ILE 78 CO 0.86 -0.12 1.10 -2.84 -2.11 0.00 0.00 174.94 171.83 1ykx s PRO 79 N -1.13 4.46 0.48 3.50 0.02 -1.26 -1.66 135.00 139.41 1ykx s PRO 79 Ca -0.11 1.74 0.16 0.00 0.02 0.00 0.00 61.00 62.81 1ykx s PRO 79 Cb -0.03 -2.98 1.16 0.00 0.02 0.00 0.00 34.50 32.67 1ykx s PRO 79 CO 0.07 0.07 2.05 0.00 -0.33 0.00 0.00 177.00 178.85 1ykx h SER 81 N 0.22 0.00 0.53 0.00 4.64 -1.91 -0.17 113.55 116.86 1ykx h SER 81 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1ykx h SER 81 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ykx h SER 81 CO -0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.91 1ykx h ALA 82 N 1.89 1.04 -0.00 5.18 0.00 -1.64 -2.00 119.26 123.72 1ykx h ALA 82 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ykx h ALA 82 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ykx h ALA 82 CO -0.00 0.02 -0.03 1.28 0.00 0.00 0.00 179.25 180.52 1ykx n LEU 83 N -3.16 0.34 -0.83 0.00 4.77 -0.08 -3.37 117.00 114.67 1ykx n LEU 83 Ca -0.01 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 1ykx n LEU 83 Cb 0.20 -0.11 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1ykx n LEU 83 CO 0.25 0.06 0.56 0.18 -1.33 0.00 0.00 177.39 177.11 1ykx n LEU 84 N -0.89 2.73 -4.72 2.23 4.77 -0.75 -4.02 117.00 116.35 1ykx n LEU 84 Ca 0.19 -0.97 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 1ykx n LEU 84 Cb 0.22 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.41 1ykx n LEU 84 CO 0.21 0.47 0.76 -0.55 -1.33 0.00 0.00 177.39 176.94 1ykx s SER 85 N -1.89 4.06 0.48 -1.43 0.15 -1.22 -4.22 113.70 109.64 1ykx s SER 85 Ca 0.25 2.25 0.27 0.00 0.70 0.00 0.00 55.95 59.42 1ykx s SER 85 Cb 0.18 -2.58 1.13 0.00 -1.71 0.00 0.00 66.02 63.04 1ykx s SER 85 CO 0.30 -2.35 1.91 0.77 1.20 0.00 0.00 173.24 175.07 1ykx h SER 86 N -0.64 0.00 -3.47 5.45 4.64 -1.93 -3.39 113.55 114.21 1ykx h SER 86 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1ykx h SER 86 Cb 1.28 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.26 1ykx h SER 86 CO 0.49 0.16 0.31 -0.62 -0.87 0.00 0.00 176.83 176.29 1ykx s ASP 87 N -6.06 6.60 0.00 4.97 -1.08 -1.26 -4.94 116.67 114.90 1ykx s ASP 87 Ca 0.00 0.58 0.31 0.00 -0.52 0.00 0.00 52.55 52.92 1ykx s ASP 87 Cb 0.10 -2.38 1.79 0.00 -1.46 0.00 0.00 42.92 40.97 1ykx s ASP 87 CO 0.60 -0.57 2.16 2.30 0.52 0.00 0.00 175.17 180.18 1ykx n ILE 88 N 5.49 0.00 -0.21 4.11 -5.35 -1.26 -4.34 119.36 117.79 1ykx n ILE 88 Ca 0.02 -0.02 -0.03 0.00 -0.27 0.00 0.00 62.75 62.45 1ykx n ILE 88 Cb 0.48 -0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.00 1ykx n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1ykx h THR 89 N 0.17 0.22 -0.63 7.28 2.02 -1.94 -0.03 112.91 120.01 1ykx h THR 89 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1ykx h THR 89 Cb 0.04 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 1ykx h THR 89 CO 0.00 0.00 0.38 0.00 0.37 0.00 0.00 175.52 176.27 1ykx h ALA 90 N 1.26 0.82 -0.61 6.16 0.00 -1.86 -0.33 119.26 124.69 1ykx h ALA 90 Ca 0.27 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1ykx h ALA 90 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ykx h ALA 90 CO -0.69 0.11 0.02 0.77 0.00 0.00 0.00 179.25 179.46 1ykx h SER 91 N 0.74 1.03 -0.14 0.00 0.02 -1.58 -2.28 113.55 111.34 1ykx h SER 91 Ca 0.26 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1ykx h SER 91 Cb 0.05 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 1ykx h SER 91 CO -0.12 1.07 -0.00 0.58 -1.14 0.00 0.00 176.83 177.22 1ykx h VAL 92 N 0.97 1.26 -0.87 2.27 2.07 -0.58 -0.73 116.25 120.64 1ykx h VAL 92 Ca 0.18 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.86 1ykx h VAL 92 Cb 0.53 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1ykx h VAL 92 CO 0.03 0.25 0.57 0.78 0.02 0.00 0.00 177.57 179.22 1ykx h ASN 93 N -0.03 0.98 -0.14 0.57 -0.26 -1.04 -1.32 115.58 114.36 1ykx h ASN 93 Ca 0.04 -0.02 -0.20 0.00 -0.56 0.00 0.00 56.30 55.55 1ykx h ASN 93 Cb 0.38 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1ykx h ASN 93 CO 0.01 0.70 -0.68 0.00 -1.06 0.00 0.00 177.43 176.40 1ykx h ALA 95 N 0.67 1.54 -0.52 0.00 0.00 -0.65 -1.44 119.26 118.87 1ykx h ALA 95 Ca -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ykx h ALA 95 Cb 1.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ykx h ALA 95 CO 0.14 0.36 0.11 0.87 0.00 0.00 0.00 179.25 180.74 1ykx h LYS 96 N 0.56 0.80 -0.16 0.00 1.57 -1.17 -0.39 116.57 117.78 1ykx h LYS 96 Ca 0.14 -0.16 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1ykx h LYS 96 Cb 0.11 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ykx h LYS 96 CO -0.02 0.73 -0.67 -0.22 -0.57 0.00 0.00 179.45 178.70 1ykx h LYS 97 N 0.77 0.65 -0.09 3.15 3.64 -1.30 -3.01 116.57 120.39 1ykx h LYS 97 Ca 0.17 -0.48 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1ykx h LYS 97 Cb 0.30 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1ykx h LYS 97 CO 0.00 1.10 0.02 0.82 -2.27 0.00 0.00 179.45 179.12 1ykx h ILE 98 N 0.47 1.19 0.00 2.00 2.04 -0.89 -2.92 117.51 119.40 1ykx h ILE 98 Ca -0.02 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ykx h ILE 98 Cb 1.27 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1ykx h ILE 98 CO 0.13 0.17 0.00 1.62 0.00 0.00 0.00 178.15 180.07 1ykx h VAL 99 N -0.07 0.00 -0.11 1.67 3.04 -1.14 -1.48 116.25 118.16 1ykx h VAL 99 Ca 0.03 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1ykx h VAL 99 Cb 0.24 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 1ykx h VAL 99 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.36 1ykx n SER 100 N -2.47 2.46 0.22 3.17 7.64 -1.12 -3.70 113.62 119.81 1ykx n SER 100 Ca 0.01 -1.81 0.15 0.00 1.01 0.00 0.00 58.87 58.23 1ykx n SER 100 Cb 0.20 -0.06 0.70 0.00 -1.01 0.00 0.00 64.21 64.04 1ykx n SER 100 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ykx h ASP 101 N 3.64 0.00 0.00 6.43 -0.00 -1.10 -3.46 116.42 121.93 1ykx h ASP 101 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1ykx h ASP 101 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.11 1ykx h ASP 101 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 1ykx n GLY 102 N -0.46 0.90 1.17 -0.78 0.00 -1.26 -4.94 105.19 99.83 1ykx n GLY 102 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1ykx n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ykx n ASN 103 N 0.00 3.61 0.00 1.61 3.02 -1.26 -5.07 115.26 117.17 1ykx n ASN 103 Ca 0.00 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.57 1ykx n ASN 103 Cb 0.00 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 1ykx n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ykx n GLY 104 N 1.43 1.63 0.00 7.41 0.00 -1.24 -2.30 105.19 112.12 1ykx n GLY 104 Ca 0.21 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1ykx n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ykx n MET 105 N 4.64 0.62 0.11 1.61 2.81 -1.26 -3.17 117.12 122.47 1ykx n MET 105 Ca 0.00 0.02 0.09 0.00 -1.81 0.00 0.00 57.70 56.01 1ykx n MET 105 Cb 0.00 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.45 1ykx n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1ykx n ASN 106 N -1.10 0.45 0.28 7.83 3.02 -0.97 -1.34 115.26 123.42 1ykx n ASN 106 Ca 0.16 0.66 0.14 0.00 -0.03 0.00 0.00 54.58 55.51 1ykx n ASN 106 Cb 0.12 -0.74 0.80 0.00 -0.61 0.00 0.00 39.78 39.35 1ykx n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ykx h ALA 107 N 2.15 1.25 -2.24 5.41 0.00 -1.71 -3.37 119.26 120.75 1ykx h ALA 107 Ca 0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 54.91 54.11 1ykx h ALA 107 Cb 0.16 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.73 1ykx h ALA 107 CO 0.00 0.10 -0.20 -1.58 0.00 0.00 0.00 179.25 177.57 1ykx s TRP 108 N -4.18 3.18 0.25 0.00 0.51 -0.45 -4.96 118.94 113.28 1ykx s TRP 108 Ca -0.03 -0.78 -0.03 0.00 -2.12 0.00 0.00 56.10 53.14 1ykx s TRP 108 Cb 0.13 -3.29 0.47 0.00 -0.81 0.00 0.00 33.47 29.97 1ykx s TRP 108 CO 0.56 -0.87 1.77 -0.24 -0.51 0.00 0.00 176.95 177.65 1ykx h VAL 109 N 5.79 0.77 -0.49 4.03 3.04 -1.85 -1.10 116.25 126.44 1ykx h VAL 109 Ca -0.28 -0.21 -0.05 0.00 -1.01 0.00 0.00 66.70 65.15 1ykx h VAL 109 Cb 1.11 0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 30.45 1ykx h VAL 109 CO 0.91 0.11 0.12 0.00 -1.01 0.00 0.00 177.57 177.69 1ykx h ALA 110 N 1.52 1.29 -0.33 3.17 0.00 -1.93 -0.95 119.26 122.03 1ykx h ALA 110 Ca 0.43 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ykx h ALA 110 Cb 0.56 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ykx h ALA 110 CO -0.33 0.50 -0.01 2.35 0.00 0.00 0.00 179.25 181.76 1ykx h TRP 111 N 0.72 0.64 -0.40 0.00 7.01 -1.54 0.70 115.95 123.08 1ykx h TRP 111 Ca 0.16 -0.11 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 1ykx h TRP 111 Cb 0.27 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.15 1ykx h TRP 111 CO 0.01 0.71 0.24 0.00 -2.79 0.00 0.00 178.44 176.62 1ykx h ARG 112 N 0.39 0.54 0.00 2.65 3.08 -0.91 0.26 114.38 120.39 1ykx h ARG 112 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1ykx h ARG 112 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1ykx h ARG 112 CO 0.02 0.40 -0.52 -0.91 -1.07 0.00 0.00 179.97 177.90 1ykx h ASN 113 N 0.53 0.00 0.00 7.04 2.35 -1.15 -3.38 115.58 120.97 1ykx h ASN 113 Ca 0.14 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1ykx h ASN 113 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1ykx h ASN 113 CO -0.03 0.01 0.00 0.54 -1.65 0.00 0.00 177.43 176.31 1ykx n ARG 114 N -2.73 3.82 -0.01 0.81 1.74 0.23 -4.90 116.66 115.62 1ykx n ARG 114 Ca 0.02 -0.02 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1ykx n ARG 114 Cb 0.52 -0.33 -0.01 0.00 -1.02 0.00 0.00 32.46 31.62 1ykx n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ykx n LYS 116 N -2.82 1.55 -0.99 0.00 4.81 0.75 -1.24 118.16 120.23 1ykx n LYS 116 Ca -0.03 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1ykx n LYS 116 Cb 0.52 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1ykx n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ykx n GLY 117 N 3.12 0.72 3.91 3.14 0.00 -1.26 -4.95 105.19 109.86 1ykx n GLY 117 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 1ykx n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ykx s THR 118 N -2.92 2.35 -1.28 2.61 -4.23 -0.37 -5.01 115.64 106.79 1ykx s THR 118 Ca 0.00 -1.33 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 1ykx s THR 118 Cb 0.00 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.24 1ykx s THR 118 CO 0.00 0.00 1.70 -0.62 -0.54 0.00 0.00 174.62 175.16 1ykx s ASP 119 N -4.24 6.84 0.50 3.99 2.15 -1.26 -4.77 116.67 119.87 1ykx s ASP 119 Ca 0.46 -2.43 0.33 0.00 0.43 0.00 0.00 52.55 51.34 1ykx s ASP 119 Cb -0.03 -2.57 1.47 0.00 -0.30 0.00 0.00 42.92 41.49 1ykx s ASP 119 CO 0.28 -1.16 1.98 -0.37 -0.17 0.00 0.00 175.17 175.73 1ykx h VAL 120 N 5.58 0.00 0.00 1.11 -1.51 -1.90 -2.68 116.25 116.84 1ykx h VAL 120 Ca 0.43 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.55 1ykx h VAL 120 Cb 0.88 1.24 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1ykx h VAL 120 CO 1.44 0.00 -0.05 1.56 -1.23 0.00 0.00 177.57 179.29 1ykx h GLN 121 N 0.00 0.00 0.00 5.19 4.20 -1.88 -1.35 115.11 121.27 1ykx h GLN 121 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ykx h GLN 121 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1ykx h GLN 121 CO 0.00 0.05 -0.00 0.00 -0.67 0.00 0.00 178.83 178.21 1ykx h ALA 122 N 1.95 1.30 0.00 3.87 0.00 -1.87 -1.97 119.26 122.54 1ykx h ALA 122 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ykx h ALA 122 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ykx h ALA 122 CO 0.01 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.17 1ykx n TRP 123 N -3.53 0.81 0.01 0.00 7.02 -0.51 -3.26 117.44 117.99 1ykx n TRP 123 Ca -0.03 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 1ykx n TRP 123 Cb 0.08 -0.95 0.01 0.00 -2.42 0.00 0.00 31.31 28.03 1ykx n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1ykx n ILE 124 N -2.20 0.50 -2.04 -0.99 -5.35 -0.75 -4.81 119.36 103.71 1ykx n ILE 124 Ca 0.04 -0.75 -0.41 0.00 -0.27 0.00 0.00 62.75 61.36 1ykx n ILE 124 Cb 0.32 0.76 -0.02 0.00 -1.74 0.00 0.00 39.64 38.96 1ykx n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1ykx s ARG 125 N -0.54 4.30 0.00 6.28 0.52 -1.12 -2.32 118.95 126.07 1ykx s ARG 125 Ca 0.02 2.29 0.00 0.00 -0.52 0.00 0.00 55.73 57.52 1ykx s ARG 125 Cb 0.01 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1ykx s ARG 125 CO 0.01 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.44 1ykx n GLY 126 N 1.10 2.29 3.78 -3.53 0.00 -1.26 -5.02 105.19 102.54 1ykx n GLY 126 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1ykx n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ykx s ARG 128 N -1.38 3.19 0.00 0.00 3.52 -1.26 -5.12 118.95 117.89 1ykx s ARG 128 Ca 0.40 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1ykx s ARG 128 Cb -0.22 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.00 1ykx s ARG 128 CO 0.27 -1.79 0.38 1.28 -0.81 0.00 0.00 175.30 174.63