#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuj s SER 2 N 0.00 0.53 -0.74 1.61 0.01 -1.26 -5.11 113.70 108.74 2yuj s SER 2 Ca 0.00 -0.85 -0.10 0.00 1.31 0.00 0.00 55.95 56.31 2yuj s SER 2 Cb 0.00 0.15 0.19 0.00 0.21 0.00 0.00 66.02 66.58 2yuj s SER 2 CO 0.00 -0.48 0.64 -0.94 0.41 0.00 0.00 173.24 172.86 2yuj s SER 3 N -2.48 6.19 0.00 2.44 1.04 -1.26 -4.62 113.70 115.00 2yuj s SER 3 Ca 0.01 -2.71 0.00 0.00 0.48 0.00 0.00 55.95 53.73 2yuj s SER 3 Cb 0.02 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 64.06 2yuj s SER 3 CO -0.06 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2yuj n GLY 4 N 3.86 -1.49 2.76 7.32 0.00 -1.26 -5.09 105.19 111.28 2yuj n GLY 4 Ca 0.10 0.55 -0.04 0.00 0.00 0.00 0.00 46.02 46.63 2yuj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yuj n SER 5 N 0.00 -7.89 -0.03 1.61 7.64 -1.26 -4.96 113.62 108.73 2yuj n SER 5 Ca 0.00 0.98 -0.13 0.00 1.01 0.00 0.00 58.87 60.73 2yuj n SER 5 Cb 0.00 -5.30 -0.11 0.00 -1.01 0.00 0.00 64.21 57.80 2yuj n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yuj h SER 6 N 2.49 0.03 -0.34 6.43 0.87 -2.00 -3.33 113.55 117.70 2yuj h SER 6 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 61.79 59.93 2yuj h SER 6 Cb 0.48 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2yuj h SER 6 CO 0.15 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 177.71 2yuj n GLY 7 N 0.60 3.32 3.09 5.77 0.00 -1.26 -5.01 105.19 111.70 2yuj n GLY 7 Ca -0.09 -0.71 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2yuj n GLY 7 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yuj n ILE 8 N 0.13 -9.46 -0.63 -0.61 5.41 -1.25 -4.95 119.36 107.99 2yuj n ILE 8 Ca 0.17 0.15 -0.31 0.00 1.00 0.00 0.00 62.75 63.76 2yuj n ILE 8 Cb 0.68 -6.47 0.18 0.00 -0.71 0.00 0.00 39.64 33.32 2yuj n ILE 8 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2yuj n PRO 9 N -1.32 -1.85 -1.24 0.38 -0.02 -1.26 -4.99 135.00 124.69 2yuj n PRO 9 Ca -0.00 -0.52 -0.04 0.00 -2.02 0.00 0.00 63.50 60.91 2yuj n PRO 9 Cb 0.52 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2yuj n PRO 9 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2yuj n ARG 10 N -2.43 0.25 -4.08 -0.52 0.63 -1.26 -5.12 116.66 104.14 2yuj n ARG 10 Ca 0.01 -0.80 -0.35 0.00 -0.92 0.00 0.00 57.85 55.80 2yuj n ARG 10 Cb 0.60 0.46 -0.13 0.00 0.45 0.00 0.00 32.46 33.84 2yuj n ARG 10 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 2yuj s VAL 11 N 0.02 3.81 0.00 5.15 -7.23 -1.26 -4.92 120.40 115.97 2yuj s VAL 11 Ca 0.02 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.83 2yuj s VAL 11 Cb 0.08 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2yuj s VAL 11 CO -0.02 0.43 0.00 0.49 -0.31 0.00 0.00 175.10 175.69 2yuj n PHE 12 N 4.32 0.00 -0.24 2.82 3.01 -1.26 -5.09 117.46 121.02 2yuj n PHE 12 Ca -0.17 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.05 2yuj n PHE 12 Cb 0.52 0.29 0.23 0.00 -0.01 0.00 0.00 39.48 40.50 2yuj n PHE 12 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2yuj n GLN 13 N -2.46 -4.13 -3.23 -1.08 10.64 -1.26 -4.94 117.38 110.92 2yuj n GLN 13 Ca 0.00 -1.15 -0.42 0.00 -1.83 0.00 0.00 57.00 53.59 2yuj n GLN 13 Cb 0.14 -1.46 -0.08 0.00 -0.86 0.00 0.00 30.24 27.98 2yuj n GLN 13 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2yuj s ASN 14 N -2.94 6.28 -0.14 2.61 2.47 -1.26 -5.01 114.94 116.95 2yuj s ASN 14 Ca 0.52 -0.34 -0.33 0.00 0.42 0.00 0.00 52.86 53.13 2yuj s ASN 14 Cb -0.09 -2.27 0.13 0.00 -1.45 0.00 0.00 41.25 37.57 2yuj s ASN 14 CO 0.43 -0.61 1.13 -0.13 -3.72 0.00 0.00 177.10 174.21 2yuj s ARG 15 N 2.44 0.44 -0.08 0.43 0.52 -1.26 -4.99 118.95 116.45 2yuj s ARG 15 Ca 0.18 -0.16 -0.30 0.00 -0.52 0.00 0.00 55.73 54.93 2yuj s ARG 15 Cb -0.16 0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.47 2yuj s ARG 15 CO 0.15 -0.19 1.52 0.12 0.02 0.00 0.00 175.30 176.92 2yuj s PHE 16 N -2.57 2.29 -0.28 -0.53 5.36 -1.26 -4.96 117.98 116.03 2yuj s PHE 16 Ca 0.08 0.47 0.01 0.00 -0.96 0.00 0.00 56.93 56.53 2yuj s PHE 16 Cb -0.01 -3.78 0.15 0.00 -0.34 0.00 0.00 43.02 39.05 2yuj s PHE 16 CO -0.06 -3.13 0.40 -1.54 -1.46 0.00 0.00 175.22 169.43 2yuj s SER 17 N 2.84 0.45 0.19 6.13 1.04 -1.26 -1.56 113.70 121.53 2yuj s SER 17 Ca 0.67 -0.28 -0.24 0.00 0.48 0.00 0.00 55.95 56.58 2yuj s SER 17 Cb -0.30 1.07 0.06 0.00 0.10 0.00 0.00 66.02 66.95 2yuj s SER 17 CO 0.25 -0.35 0.93 0.28 0.98 0.00 0.00 173.24 175.33 2yuj s THR 18 N 2.53 0.00 0.25 2.02 -1.32 -0.65 -4.98 115.64 113.49 2yuj s THR 18 Ca 0.10 -0.72 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2yuj s THR 18 Cb -0.13 -2.16 -0.04 0.00 -1.51 0.00 0.00 72.50 68.66 2yuj s THR 18 CO -0.28 0.00 0.43 -1.10 -2.21 0.00 0.00 174.62 171.47 2yuj s GLN 19 N -3.17 3.50 -0.01 7.08 -0.21 -1.26 -0.48 119.66 125.11 2yuj s GLN 19 Ca 0.14 -0.40 -0.08 0.00 0.02 0.00 0.00 55.36 55.03 2yuj s GLN 19 Cb -0.02 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.20 2yuj s GLN 19 CO 0.04 0.33 0.17 0.71 -2.12 0.00 0.00 175.29 174.42 2yuj s TYR 20 N -2.01 -0.03 -0.40 0.91 2.02 -1.14 -4.87 117.35 111.81 2yuj s TYR 20 Ca 0.38 0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 2yuj s TYR 20 Cb -0.10 -0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.47 2yuj s TYR 20 CO 0.31 -0.27 1.21 1.03 -1.57 0.00 0.00 175.55 176.26 2yuj s ARG 21 N -1.11 3.79 0.00 -0.62 0.52 -1.26 -2.32 118.95 117.96 2yuj s ARG 21 Ca -0.12 0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 55.64 2yuj s ARG 21 Cb -0.06 -3.90 -0.04 0.00 0.52 0.00 0.00 34.95 31.48 2yuj s ARG 21 CO 0.02 -1.29 1.08 0.00 0.02 0.00 0.00 175.30 175.13 2yuj s PHE 23 N 1.27 1.54 0.68 0.00 0.08 0.28 -0.60 117.98 121.23 2yuj s PHE 23 Ca 0.54 -1.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.19 2yuj s PHE 23 Cb -0.24 -0.86 0.00 0.00 -0.57 0.00 0.00 43.02 41.35 2yuj s PHE 23 CO 0.27 -0.45 1.08 -1.12 -0.10 0.00 0.00 175.22 174.90 2yuj s SER 24 N -3.34 5.65 0.09 1.36 0.01 -1.26 -1.23 113.70 114.97 2yuj s SER 24 Ca 0.37 1.20 0.03 0.00 1.31 0.00 0.00 55.95 58.86 2yuj s SER 24 Cb 0.06 -2.06 -0.24 0.00 0.21 0.00 0.00 66.02 63.99 2yuj s SER 24 CO 0.15 -1.22 1.16 -0.37 0.41 0.00 0.00 173.24 173.38 2yuj h VAL 25 N -0.56 1.55 -0.01 3.43 -1.51 -1.85 -3.27 116.25 114.03 2yuj h VAL 25 Ca -0.45 -3.22 -0.02 0.00 -1.23 0.00 0.00 66.70 61.78 2yuj h VAL 25 Cb 1.24 2.84 -0.00 0.00 -2.13 0.00 0.00 31.29 33.23 2yuj h VAL 25 CO 0.63 0.91 -0.08 0.77 -1.23 0.00 0.00 177.57 178.57 2yuj h SER 26 N 0.03 0.01 -0.12 4.19 4.64 -1.92 -1.66 113.55 118.71 2yuj h SER 26 Ca -0.08 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2yuj h SER 26 Cb 1.87 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.95 2yuj h SER 26 CO 0.15 0.09 0.11 0.24 -0.87 0.00 0.00 176.83 176.55 2yuj h MET 27 N 0.01 0.00 -7.03 4.77 2.07 -1.97 -3.43 114.93 109.35 2yuj h MET 27 Ca 0.00 0.00 -0.54 0.00 -2.07 0.00 0.00 59.70 57.09 2yuj h MET 27 Cb 0.15 0.00 0.19 0.00 -1.87 0.00 0.00 31.60 30.07 2yuj h MET 27 CO 0.01 0.00 0.06 -0.11 1.07 0.00 0.00 176.91 177.94 2yuj n LEU 28 N -4.07 3.05 -4.26 1.22 7.94 -0.63 -4.97 117.00 115.27 2yuj n LEU 28 Ca 0.00 0.55 -0.29 0.00 -1.11 0.00 0.00 56.01 55.16 2yuj n LEU 28 Cb 0.23 -1.41 0.28 0.00 0.53 0.00 0.00 43.42 43.05 2yuj n LEU 28 CO 0.30 -2.25 0.34 0.00 -1.11 0.00 0.00 177.39 174.67 2yuj n ALA 29 N -3.15 -4.44 0.00 1.96 0.00 -1.26 -4.98 120.51 108.64 2yuj n ALA 29 Ca 0.12 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.83 2yuj n ALA 29 Cb 0.51 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2yuj n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuj n GLY 30 N 1.75 2.84 0.26 0.00 0.00 -1.26 -4.90 105.19 103.88 2yuj n GLY 30 Ca 0.10 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.26 2yuj n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuj h PRO 31 N 0.00 0.85 -5.92 1.61 0.13 -2.01 -3.45 132.00 123.21 2yuj h PRO 31 Ca 0.00 -0.44 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 2yuj h PRO 31 Cb 0.00 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2yuj h PRO 31 CO 0.00 1.08 -0.51 -0.80 -0.23 0.00 0.00 178.00 177.54 2yuj s ASN 32 N -6.84 4.41 -0.19 1.44 0.01 -1.26 -5.13 114.94 107.39 2yuj s ASN 32 Ca -0.10 -1.06 -0.07 0.00 -0.71 0.00 0.00 52.86 50.92 2yuj s ASN 32 Cb 0.12 -0.50 -0.04 0.00 0.41 0.00 0.00 41.25 41.24 2yuj s ASN 32 CO 0.87 -0.50 0.06 -1.81 -1.51 0.00 0.00 177.10 174.21 2yuj s ASP 33 N -3.88 5.55 0.12 -1.22 1.01 -1.26 -5.04 116.67 111.96 2yuj s ASP 33 Ca 0.40 0.05 -0.30 0.00 0.71 0.00 0.00 52.55 53.40 2yuj s ASP 33 Cb 0.03 -1.95 -0.07 0.00 1.01 0.00 0.00 42.92 41.94 2yuj s ASP 33 CO 0.22 0.15 1.22 -0.13 0.21 0.00 0.00 175.17 176.85 2yuj s ARG 34 N 0.49 4.45 -0.11 8.23 0.52 -1.26 -4.92 118.95 126.34 2yuj s ARG 34 Ca 0.03 1.86 0.11 0.00 -0.52 0.00 0.00 55.73 57.21 2yuj s ARG 34 Cb -0.13 -3.28 -0.16 0.00 0.52 0.00 0.00 34.95 31.90 2yuj s ARG 34 CO 0.01 -0.20 0.08 -1.13 0.02 0.00 0.00 175.30 174.08 2yuj n SER 35 N 3.28 1.92 -0.11 0.23 3.41 -1.26 -4.51 113.62 116.58 2yuj n SER 35 Ca 0.07 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.75 2yuj n SER 35 Cb 0.45 0.92 0.40 0.00 -0.26 0.00 0.00 64.21 65.73 2yuj n SER 35 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2yuj h ASP 36 N 0.00 0.55 -0.25 4.04 3.04 -1.94 -2.20 116.42 119.66 2yuj h ASP 36 Ca -0.29 -0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2yuj h ASP 36 Cb 1.61 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.76 2yuj h ASP 36 CO 0.02 0.37 0.14 0.58 -2.04 0.00 0.00 179.24 178.31 2yuj h VAL 37 N 0.63 1.11 -0.12 4.15 2.07 -1.96 -2.35 116.25 119.78 2yuj h VAL 37 Ca 0.26 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2yuj h VAL 37 Cb 0.21 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2yuj h VAL 37 CO -0.07 0.11 0.04 -0.08 0.02 0.00 0.00 177.57 177.58 2yuj h GLU 38 N 0.30 0.16 -2.93 1.57 4.22 -1.65 -3.16 114.58 113.08 2yuj h GLU 38 Ca 0.09 -0.01 -0.69 0.00 0.08 0.00 0.00 59.36 58.83 2yuj h GLU 38 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2yuj h GLU 38 CO -0.02 0.14 3.48 1.63 -2.18 0.00 0.00 179.01 182.06 2yuj n LYS 39 N -4.48 3.92 -3.50 1.92 5.02 -0.88 -4.81 118.16 115.34 2yuj n LYS 39 Ca -0.01 -2.54 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 2yuj n LYS 39 Cb 0.11 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.35 2yuj n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2yuj n GLY 40 N 3.12 -1.21 2.93 0.72 0.00 -1.20 -4.92 105.19 104.62 2yuj n GLY 40 Ca 0.74 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 2yuj n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuj n GLY 41 N 0.00 5.63 3.07 -0.02 0.00 -1.26 -4.93 105.19 107.69 2yuj n GLY 41 Ca 0.00 -2.79 -0.21 0.00 0.00 0.00 0.00 46.02 43.03 2yuj n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuj s LYS 42 N -3.49 0.97 0.46 1.61 0.00 -1.26 -3.97 119.74 114.06 2yuj s LYS 42 Ca 0.49 -0.43 0.03 0.00 0.00 0.00 0.00 55.97 56.06 2yuj s LYS 42 Cb 0.28 -0.94 -0.01 0.00 0.00 0.00 0.00 37.83 37.16 2yuj s LYS 42 CO -0.14 0.26 0.10 0.44 0.00 0.00 0.00 175.35 176.01 2yuj n ILE 43 N 2.79 0.00 -3.88 3.79 -5.35 -1.17 -4.54 119.36 111.00 2yuj n ILE 43 Ca -0.14 -2.49 -0.27 0.00 -0.27 0.00 0.00 62.75 59.58 2yuj n ILE 43 Cb 0.56 0.76 -0.17 0.00 -1.74 0.00 0.00 39.64 39.05 2yuj n ILE 43 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2yuj s ILE 44 N -3.07 0.93 0.13 7.28 1.01 -0.80 -1.92 121.20 124.76 2yuj s ILE 44 Ca 0.14 -0.31 0.05 0.00 0.00 0.00 0.00 60.65 60.53 2yuj s ILE 44 Cb 0.01 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 2yuj s ILE 44 CO 0.10 0.28 0.05 -0.04 0.00 0.00 0.00 174.94 175.33 2yuj s MET 45 N 1.74 2.66 0.67 2.79 -1.94 -1.11 -2.50 119.30 121.61 2yuj s MET 45 Ca 0.04 -0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 52.96 2yuj s MET 45 Cb -0.13 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 2yuj s MET 45 CO -0.08 0.51 0.81 -2.30 -0.01 0.00 0.00 175.02 173.95 2yuj n PRO 46 N 0.13 0.57 -0.01 2.03 -0.02 -1.26 -2.52 135.00 133.93 2yuj n PRO 46 Ca -0.09 0.24 0.21 0.00 -2.02 0.00 0.00 63.50 61.83 2yuj n PRO 46 Cb 0.53 -2.05 0.70 0.00 -0.02 0.00 0.00 33.50 32.67 2yuj n PRO 46 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2yuj h PRO 47 N -0.01 0.00 -0.09 0.52 0.11 -1.73 0.12 132.00 130.92 2yuj h PRO 47 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2yuj h PRO 47 Cb 1.36 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.46 2yuj h PRO 47 CO 0.47 0.00 0.06 0.66 -0.21 0.00 0.00 178.00 178.98 2yuj h SER 48 N 0.00 0.08 -0.92 -2.05 4.64 -1.93 -1.82 113.55 111.55 2yuj h SER 48 Ca 0.26 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2yuj h SER 48 Cb 1.07 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.09 2yuj h SER 48 CO -0.00 0.06 0.61 0.00 -0.87 0.00 0.00 176.83 176.63 2yuj h ALA 49 N 1.94 1.37 -0.47 5.18 0.00 -1.29 -0.98 119.26 125.01 2yuj h ALA 49 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2yuj h ALA 49 Cb 0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2yuj h ALA 49 CO -0.01 0.57 0.16 1.25 0.00 0.00 0.00 179.25 181.22 2yuj h LEU 50 N 1.22 0.69 -0.64 0.00 5.85 -1.46 -0.55 115.31 120.42 2yuj h LEU 50 Ca 0.35 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 2yuj h LEU 50 Cb -0.08 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2yuj h LEU 50 CO -0.09 0.70 0.10 0.44 -0.34 0.00 0.00 178.44 179.25 2yuj h ASP 51 N 0.63 1.02 0.34 1.25 5.19 -1.41 -1.55 116.42 121.89 2yuj h ASP 51 Ca 0.15 -0.26 -0.02 0.00 -0.62 0.00 0.00 57.03 56.28 2yuj h ASP 51 Cb 0.26 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.50 2yuj h ASP 51 CO -0.01 1.02 -0.16 -0.61 -3.12 0.00 0.00 179.24 176.37 2yuj h GLN 52 N 0.97 -0.44 -0.24 3.56 5.75 -1.01 -2.75 115.11 120.95 2yuj h GLN 52 Ca 0.19 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.79 2yuj h GLN 52 Cb 0.44 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 2yuj h GLN 52 CO 0.01 -0.14 0.18 -0.07 -2.65 0.00 0.00 178.83 176.16 2yuj h LEU 53 N -0.72 0.02 -1.16 -2.39 3.38 -1.10 0.82 115.31 114.16 2yuj h LEU 53 Ca -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 2yuj h LEU 53 Cb 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2yuj h LEU 53 CO 0.08 0.01 -0.41 -1.28 0.09 0.00 0.00 178.44 176.92 2yuj h SER 54 N 0.02 0.00 0.70 -0.43 0.87 -1.10 -2.87 113.55 110.74 2yuj h SER 54 Ca 0.12 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2yuj h SER 54 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 2yuj h SER 54 CO -0.00 0.41 -1.33 0.54 -0.53 0.00 0.00 176.83 175.92 2yuj n ARG 55 N -4.01 0.62 0.00 2.24 5.12 -0.02 -3.92 116.66 116.68 2yuj n ARG 55 Ca -0.02 0.06 0.13 0.00 -1.93 0.00 0.00 57.85 56.10 2yuj n ARG 55 Cb 0.45 -1.75 0.73 0.00 -1.16 0.00 0.00 32.46 30.73 2yuj n ARG 55 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2yuj n LEU 56 N -2.62 0.00 -1.91 0.55 4.77 0.08 -4.88 117.00 112.99 2yuj n LEU 56 Ca -0.03 0.17 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 2yuj n LEU 56 Cb 0.62 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2yuj n LEU 56 CO 0.42 -0.02 -0.14 0.59 -1.33 0.00 0.00 177.39 176.91 2yuj n ASN 57 N -1.17 -4.71 -4.70 -1.43 5.03 -1.18 -4.82 115.26 102.28 2yuj n ASN 57 Ca 0.16 -0.08 -0.36 0.00 0.87 0.00 0.00 54.58 55.17 2yuj n ASN 57 Cb 0.16 -3.75 -0.08 0.00 -1.02 0.00 0.00 39.78 35.09 2yuj n ASN 57 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2yuj s ILE 58 N -2.84 5.36 0.52 2.41 1.01 -1.11 -5.09 121.20 121.46 2yuj s ILE 58 Ca 0.07 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.05 2yuj s ILE 58 Cb -0.03 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2yuj s ILE 58 CO 0.09 0.38 0.15 -0.89 0.00 0.00 0.00 174.94 174.66 2yuj s THR 59 N 0.70 1.38 0.33 2.92 2.01 -1.26 -4.75 115.64 116.97 2yuj s THR 59 Ca 0.10 -1.82 -0.29 0.00 0.31 0.00 0.00 61.69 60.00 2yuj s THR 59 Cb -0.12 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 2yuj s THR 59 CO 0.02 0.00 1.31 -0.47 -0.69 0.00 0.00 174.62 174.79 2yuj s TYR 60 N -2.83 3.05 0.81 4.92 5.04 -1.26 -4.09 117.35 123.00 2yuj s TYR 60 Ca 0.17 1.41 -0.12 0.00 -2.44 0.00 0.00 57.07 56.10 2yuj s TYR 60 Cb 0.01 -3.68 0.08 0.00 0.35 0.00 0.00 41.96 38.71 2yuj s TYR 60 CO 0.10 -1.85 1.12 -1.25 -1.34 0.00 0.00 175.55 172.32 2yuj s PRO 61 N -1.76 1.99 -0.49 4.97 0.04 -1.26 -5.15 135.00 133.33 2yuj s PRO 61 Ca 0.49 0.45 0.04 0.00 0.04 0.00 0.00 61.00 62.02 2yuj s PRO 61 Cb -0.40 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.39 2yuj s PRO 61 CO 0.53 -1.65 0.38 -1.64 0.04 0.00 0.00 177.00 174.66 2yuj s MET 62 N -5.28 1.34 0.12 4.56 -1.94 -1.26 -4.94 119.30 111.90 2yuj s MET 62 Ca 0.61 -2.43 0.01 0.00 -1.71 0.00 0.00 55.69 52.17 2yuj s MET 62 Cb -0.13 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.68 2yuj s MET 62 CO 0.53 -1.35 0.28 -0.51 -0.01 0.00 0.00 175.02 173.95 2yuj s LEU 63 N -0.33 4.33 0.26 -0.03 1.43 -1.25 -3.87 118.68 119.22 2yuj s LEU 63 Ca 0.30 0.25 0.10 0.00 -1.03 0.00 0.00 54.13 53.75 2yuj s LEU 63 Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2yuj s LEU 63 CO -0.18 0.08 -0.05 -0.36 0.23 0.00 0.00 176.35 176.07 2yuj s PHE 64 N -1.67 2.61 -0.51 0.29 0.08 -0.63 -2.01 117.98 116.14 2yuj s PHE 64 Ca 0.35 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 2yuj s PHE 64 Cb -0.12 -1.17 0.13 0.00 -0.57 0.00 0.00 43.02 41.30 2yuj s PHE 64 CO 0.28 0.63 0.32 0.21 -0.10 0.00 0.00 175.22 176.56 2yuj s LYS 65 N -3.54 2.29 -0.69 0.44 2.20 0.16 -2.96 119.74 117.65 2yuj s LYS 65 Ca 0.30 -2.15 -0.27 0.00 -0.36 0.00 0.00 55.97 53.50 2yuj s LYS 65 Cb -0.06 -3.68 0.03 0.00 -1.51 0.00 0.00 37.83 32.61 2yuj s LYS 65 CO 0.18 -1.13 1.23 -0.51 -0.36 0.00 0.00 175.35 174.76 2yuj s LEU 66 N 0.60 3.34 -0.46 5.43 1.43 -0.46 -3.09 118.68 125.47 2yuj s LEU 66 Ca 0.12 -0.33 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 2yuj s LEU 66 Cb -0.22 -2.73 0.06 0.00 0.03 0.00 0.00 46.19 43.34 2yuj s LEU 66 CO -0.04 -1.70 0.36 -0.89 0.23 0.00 0.00 176.35 174.32 2yuj s THR 67 N 5.37 5.13 -0.12 5.49 2.01 -0.62 -1.89 115.64 131.00 2yuj s THR 67 Ca 0.36 -1.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2yuj s THR 67 Cb -0.09 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.38 2yuj s THR 67 CO 0.18 -0.52 1.17 0.21 -0.69 0.00 0.00 174.62 174.97 2yuj s ASN 68 N 2.39 7.05 -0.45 3.53 2.47 0.08 -3.45 114.94 126.56 2yuj s ASN 68 Ca 0.04 1.68 0.03 0.00 0.42 0.00 0.00 52.86 55.03 2yuj s ASN 68 Cb -0.23 -2.55 0.60 0.00 -1.45 0.00 0.00 41.25 37.62 2yuj s ASN 68 CO 0.07 -0.63 1.89 0.29 -3.72 0.00 0.00 177.10 174.99 2yuj n LYS 69 N 5.78 2.23 -0.04 0.43 5.02 -1.26 -2.79 118.16 127.52 2yuj n LYS 69 Ca 0.12 -2.86 -0.05 0.00 -2.02 0.00 0.00 58.31 53.50 2yuj n LYS 69 Cb 0.46 -2.12 -0.04 0.00 -0.02 0.00 0.00 35.03 33.31 2yuj n LYS 69 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2yuj n ASN 70 N -1.01 3.39 -1.09 4.39 5.03 -1.26 -4.80 115.26 119.91 2yuj n ASN 70 Ca 0.57 -0.03 0.02 0.00 0.87 0.00 0.00 54.58 56.01 2yuj n ASN 70 Cb 1.49 0.10 0.01 0.00 -1.02 0.00 0.00 39.78 40.36 2yuj n ASN 70 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2yuj n SER 71 N -2.59 0.58 -3.35 6.41 2.88 -1.26 -4.99 113.62 111.30 2yuj n SER 71 Ca -0.13 -1.99 -0.24 0.00 -1.33 0.00 0.00 58.87 55.17 2yuj n SER 71 Cb 0.67 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.91 2yuj n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2yuj n ASP 72 N 0.29 -5.37 -4.88 -3.46 2.03 -1.18 -4.96 116.55 99.02 2yuj n ASP 72 Ca 0.03 -0.44 -0.30 0.00 0.52 0.00 0.00 54.79 54.60 2yuj n ASP 72 Cb 0.96 -4.33 -0.04 0.00 -0.72 0.00 0.00 41.12 36.99 2yuj n ASP 72 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2yuj s ARG 73 N -6.03 3.78 -0.07 -0.67 0.52 -1.12 -4.94 118.95 110.42 2yuj s ARG 73 Ca 0.43 0.39 -0.04 0.00 -0.52 0.00 0.00 55.73 56.00 2yuj s ARG 73 Cb -0.21 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 32.83 2yuj s ARG 73 CO 0.54 0.08 0.16 1.41 0.02 0.00 0.00 175.30 177.51 2yuj s MET 74 N -3.56 0.13 -0.16 3.54 -2.45 -1.26 -0.74 119.30 114.80 2yuj s MET 74 Ca 0.50 0.37 -0.10 0.00 -1.25 0.00 0.00 55.69 55.21 2yuj s MET 74 Cb -0.10 -0.12 0.05 0.00 1.25 0.00 0.00 34.83 35.91 2yuj s MET 74 CO 0.28 -0.14 0.39 -0.08 1.05 0.00 0.00 175.02 176.52 2yuj s THR 75 N 0.98 -0.02 -0.29 10.11 -1.32 -0.79 -4.89 115.64 119.41 2yuj s THR 75 Ca -0.07 0.08 -0.07 0.00 -1.21 0.00 0.00 61.69 60.42 2yuj s THR 75 Cb -0.09 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 2yuj s THR 75 CO -0.05 0.03 0.08 -1.00 -2.21 0.00 0.00 174.62 171.47 2yuj s HIS 76 N 1.16 3.14 0.50 9.09 3.76 -1.26 -1.36 115.29 130.32 2yuj s HIS 76 Ca -0.08 -0.89 0.04 0.00 -0.15 0.00 0.00 55.06 53.98 2yuj s HIS 76 Cb -0.08 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 2yuj s HIS 76 CO -0.10 -0.54 0.16 0.00 -0.85 0.00 0.00 174.74 173.40 2yuj s GLY 78 N -4.00 0.58 0.43 0.00 0.00 -1.25 -1.61 107.32 101.47 2yuj s GLY 78 Ca 0.22 -0.38 -0.24 0.00 0.00 0.00 0.00 44.72 44.32 2yuj s GLY 78 CO 0.13 -0.13 1.11 0.54 0.00 0.00 0.00 173.10 174.75 2yuj s VAL 79 N 0.16 3.40 0.05 1.40 0.11 -1.25 -3.02 120.40 121.25 2yuj s VAL 79 Ca -0.03 1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 60.08 2yuj s VAL 79 Cb -0.09 -3.55 -0.00 0.00 -1.53 0.00 0.00 36.38 31.21 2yuj s VAL 79 CO 0.01 0.00 -0.02 -0.11 -3.33 0.00 0.00 175.10 171.65 2yuj n LEU 80 N -0.25 0.77 -4.48 2.54 7.94 -0.81 -4.81 117.00 117.90 2yuj n LEU 80 Ca 0.06 0.10 -0.33 0.00 -1.11 0.00 0.00 56.01 54.73 2yuj n LEU 80 Cb 0.49 -0.26 -0.13 0.00 0.53 0.00 0.00 43.42 44.05 2yuj n LEU 80 CO 0.47 -0.64 -0.44 -1.61 -1.11 0.00 0.00 177.39 174.05 2yuj s GLU 81 N -1.70 2.64 -1.02 1.96 2.02 -1.18 -5.05 118.70 116.37 2yuj s GLU 81 Ca -0.02 -0.68 -0.04 0.00 0.02 0.00 0.00 54.97 54.26 2yuj s GLU 81 Cb 0.00 -2.43 0.29 0.00 0.10 0.00 0.00 34.13 32.09 2yuj s GLU 81 CO 0.03 0.58 1.26 1.19 0.02 0.00 0.00 175.26 178.33 2yuj n PHE 82 N 2.44 3.20 -3.04 1.61 3.72 -1.26 -2.73 117.46 121.40 2yuj n PHE 82 Ca -0.17 -3.18 -0.17 0.00 -0.05 0.00 0.00 57.45 53.87 2yuj n PHE 82 Cb 0.52 -1.24 -0.03 0.00 -0.94 0.00 0.00 39.48 37.79 2yuj n PHE 82 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2yuj n VAL 83 N 1.61 -0.50 -4.45 -4.37 0.24 -1.05 -4.22 118.33 105.59 2yuj n VAL 83 Ca 0.26 -2.74 -0.23 0.00 -2.04 0.00 0.00 64.34 59.59 2yuj n VAL 83 Cb 0.36 -0.48 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 2yuj n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yuj s ALA 84 N -0.11 2.53 0.53 2.33 0.00 -1.22 -4.91 121.76 120.92 2yuj s ALA 84 Ca 0.33 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.66 2yuj s ALA 84 Cb 0.14 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 2yuj s ALA 84 CO -0.16 -0.38 0.87 0.34 0.00 0.00 0.00 175.76 176.43 2yuj s ASP 85 N -3.51 6.19 0.16 0.00 -1.08 -1.25 -4.16 116.67 113.00 2yuj s ASP 85 Ca 0.30 1.05 -0.30 0.00 -0.52 0.00 0.00 52.55 53.08 2yuj s ASP 85 Cb 0.05 -2.26 -0.08 0.00 -1.46 0.00 0.00 42.92 39.16 2yuj s ASP 85 CO 0.15 -0.71 1.30 -1.61 0.52 0.00 0.00 175.17 174.82 2yuj s GLU 86 N -4.90 4.39 -1.56 4.34 2.02 -1.26 -2.75 118.70 118.98 2yuj s GLU 86 Ca 0.50 1.99 0.00 0.00 0.02 0.00 0.00 54.97 57.48 2yuj s GLU 86 Cb -0.11 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.89 2yuj s GLU 86 CO 0.48 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.89 2yuj n GLY 87 N 2.75 0.55 2.60 -1.39 0.00 -1.26 -4.94 105.19 103.50 2yuj n GLY 87 Ca 0.08 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 2yuj n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yuj s ILE 88 N -2.73 -0.27 0.02 -0.61 1.01 -1.11 -4.37 121.20 113.14 2yuj s ILE 88 Ca 0.00 -1.72 -0.30 0.00 0.00 0.00 0.00 60.65 58.63 2yuj s ILE 88 Cb 0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2yuj s ILE 88 CO 0.00 -0.67 1.00 0.00 0.00 0.00 0.00 174.94 175.26 2yuj s TYR 90 N 0.90 3.36 0.11 0.00 2.02 -1.04 -0.56 117.35 122.14 2yuj s TYR 90 Ca 0.52 0.57 0.04 0.00 -0.37 0.00 0.00 57.07 57.83 2yuj s TYR 90 Cb -0.22 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 38.80 2yuj s TYR 90 CO 0.28 -0.01 -0.10 -0.51 -1.57 0.00 0.00 175.55 173.64 2yuj s LEU 91 N 1.32 2.43 0.00 -1.29 1.43 -0.36 -1.91 118.68 120.29 2yuj s LEU 91 Ca 0.18 -0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 2yuj s LEU 91 Cb -0.15 -0.32 0.15 0.00 0.03 0.00 0.00 46.19 45.90 2yuj s LEU 91 CO 0.08 -0.27 0.33 -2.65 0.23 0.00 0.00 176.35 174.07 2yuj n PRO 92 N 0.42 -1.60 -0.06 1.29 -0.02 -1.26 -3.36 135.00 130.40 2yuj n PRO 92 Ca -0.15 -0.56 -0.13 0.00 -2.02 0.00 0.00 63.50 60.64 2yuj n PRO 92 Cb 0.58 -0.96 -0.14 0.00 -0.02 0.00 0.00 33.50 32.96 2yuj n PRO 92 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2yuj n HIS 93 N -3.95 0.55 0.06 6.00 -0.00 -1.26 -4.00 115.22 112.62 2yuj n HIS 93 Ca 0.05 0.16 0.01 0.00 0.46 0.00 0.00 57.72 58.41 2yuj n HIS 93 Cb 0.23 -1.09 0.35 0.00 -0.12 0.00 0.00 29.99 29.36 2yuj n HIS 93 CO 0.00 0.00 0.00 0.11 0.46 0.00 0.00 176.34 176.91 2yuj h TRP 94 N 0.01 0.39 -0.03 1.57 5.08 -1.92 -1.79 115.95 119.26 2yuj h TRP 94 Ca -0.45 -0.04 -0.13 0.00 1.08 0.00 0.00 58.89 59.35 2yuj h TRP 94 Cb 2.07 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 28.10 2yuj h TRP 94 CO 0.02 0.44 -0.58 1.98 -1.28 0.00 0.00 178.44 179.01 2yuj h MET 95 N 0.36 0.11 -0.05 0.12 4.05 -1.87 -1.85 114.93 115.80 2yuj h MET 95 Ca 0.08 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 2yuj h MET 95 Cb 0.33 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2yuj h MET 95 CO 0.01 0.66 -0.21 0.52 0.23 0.00 0.00 176.91 178.13 2yuj h MET 96 N 0.08 0.23 -0.64 0.39 2.86 -1.54 -2.40 114.93 113.92 2yuj h MET 96 Ca -0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 2yuj h MET 96 Cb 1.05 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.72 2yuj h MET 96 CO 0.08 0.83 0.19 1.96 1.06 0.00 0.00 176.91 181.03 2yuj h GLN 97 N -0.32 1.00 -0.63 1.72 1.08 -1.36 0.65 115.11 117.25 2yuj h GLN 97 Ca -0.01 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 2yuj h GLN 97 Cb 0.87 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2yuj h GLN 97 CO 0.04 0.88 0.29 -0.97 -0.95 0.00 0.00 178.83 178.12 2yuj h ASN 98 N 0.92 0.84 1.40 1.46 -1.24 -1.40 -2.51 115.58 115.06 2yuj h ASN 98 Ca 0.20 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2yuj h ASN 98 Cb 0.31 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2yuj h ASN 98 CO -0.00 0.76 -0.29 -0.07 -1.29 0.00 0.00 177.43 176.53 2yuj h LEU 99 N 0.88 0.00 1.19 0.34 3.38 -1.22 -3.48 115.31 116.40 2yuj h LEU 99 Ca 0.21 -0.05 -0.39 0.00 0.09 0.00 0.00 57.88 57.74 2yuj h LEU 99 Cb 0.15 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.95 2yuj h LEU 99 CO -0.02 0.03 -0.57 0.18 0.09 0.00 0.00 178.44 178.14 2yuj n LEU 100 N -2.50 -2.54 0.00 1.67 4.77 0.22 -4.88 117.00 113.74 2yuj n LEU 100 Ca 0.04 -0.24 -0.25 0.00 -0.03 0.00 0.00 56.01 55.54 2yuj n LEU 100 Cb 0.48 -2.86 0.16 0.00 -2.33 0.00 0.00 43.42 38.87 2yuj n LEU 100 CO 0.34 0.16 0.70 0.18 -1.33 0.00 0.00 177.39 177.44 2yuj n LEU 101 N -3.71 0.00 -4.47 2.23 4.77 -0.98 -5.03 117.00 109.81 2yuj n LEU 101 Ca -0.13 -1.50 -0.22 0.00 -0.03 0.00 0.00 56.01 54.13 2yuj n LEU 101 Cb 0.62 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 40.80 2yuj n LEU 101 CO 0.43 -1.22 -0.29 -1.61 -1.33 0.00 0.00 177.39 173.37 2yuj s GLU 102 N -5.36 1.68 -0.17 3.23 2.02 -1.26 -4.91 118.70 113.93 2yuj s GLU 102 Ca 0.65 -1.92 -0.28 0.00 0.02 0.00 0.00 54.97 53.43 2yuj s GLU 102 Cb -0.02 -1.01 -0.06 0.00 0.10 0.00 0.00 34.13 33.14 2yuj s GLU 102 CO 0.45 -0.14 2.18 -1.83 0.02 0.00 0.00 175.26 175.94 2yuj s GLU 103 N -3.84 3.31 0.00 1.61 -1.05 -1.26 -1.82 118.70 115.65 2yuj s GLU 103 Ca 0.35 2.14 0.00 0.00 -0.15 0.00 0.00 54.97 57.31 2yuj s GLU 103 Cb 0.08 -4.34 0.00 0.00 -0.44 0.00 0.00 34.13 29.44 2yuj s GLU 103 CO 0.15 -1.90 0.00 0.41 0.95 0.00 0.00 175.26 174.87 2yuj n GLY 104 N 5.54 0.98 3.68 -3.83 0.00 0.23 -5.01 105.19 106.78 2yuj n GLY 104 Ca 0.28 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2yuj n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yuj s GLY 105 N -2.62 2.16 0.01 -0.02 0.00 -0.75 -4.67 107.32 101.43 2yuj s GLY 105 Ca 0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2yuj s GLY 105 CO 0.00 0.96 1.07 1.08 0.00 0.00 0.00 173.10 176.21 2yuj s LEU 106 N 1.31 4.35 -0.03 0.66 1.43 -1.25 -0.71 118.68 124.44 2yuj s LEU 106 Ca 0.24 1.77 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 2yuj s LEU 106 Cb -0.15 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.50 2yuj s LEU 106 CO 0.10 -0.37 -0.09 -0.69 0.23 0.00 0.00 176.35 175.53 2yuj s VAL 107 N 1.20 0.78 0.07 -1.59 1.01 -0.98 -4.87 120.40 116.02 2yuj s VAL 107 Ca 0.54 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.87 2yuj s VAL 107 Cb -0.24 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.34 2yuj s VAL 107 CO 0.27 0.25 1.91 -1.10 0.00 0.00 0.00 175.10 176.43 2yuj s GLN 108 N 0.28 4.14 -0.07 2.72 -1.52 -1.22 -2.89 119.66 121.09 2yuj s GLN 108 Ca -0.04 2.60 0.03 0.00 -1.95 0.00 0.00 55.36 56.00 2yuj s GLN 108 Cb -0.09 -3.95 -0.02 0.00 -0.22 0.00 0.00 33.01 28.73 2yuj s GLN 108 CO 0.01 -0.91 -0.18 0.08 -0.25 0.00 0.00 175.29 174.04 2yuj s VAL 109 N 3.82 2.72 -0.02 1.09 1.01 0.37 -1.59 120.40 127.80 2yuj s VAL 109 Ca 0.85 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2yuj s VAL 109 Cb -0.44 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2yuj s VAL 109 CO 0.39 0.57 0.01 -1.61 0.00 0.00 0.00 175.10 174.46 2yuj s GLU 110 N -0.26 0.09 -0.83 2.72 2.02 -1.18 -1.64 118.70 119.62 2yuj s GLU 110 Ca 0.01 0.11 -0.26 0.00 0.02 0.00 0.00 54.97 54.85 2yuj s GLU 110 Cb -0.13 -0.28 0.03 0.00 0.10 0.00 0.00 34.13 33.85 2yuj s GLU 110 CO 0.03 -0.12 1.38 -1.54 0.02 0.00 0.00 175.26 175.03 2yuj s SER 111 N 0.82 6.20 0.03 -0.19 1.04 -0.60 0.37 113.70 121.37 2yuj s SER 111 Ca -0.07 -0.75 0.03 0.00 0.48 0.00 0.00 55.95 55.64 2yuj s SER 111 Cb -0.10 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2yuj s SER 111 CO -0.02 -1.78 -0.04 0.68 0.98 0.00 0.00 173.24 173.06 2yuj s VAL 112 N 5.77 3.85 -0.35 5.02 -7.23 -0.85 -4.83 120.40 121.79 2yuj s VAL 112 Ca 0.41 -0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 59.69 2yuj s VAL 112 Cb -0.06 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.18 2yuj s VAL 112 CO 0.07 0.30 0.12 0.20 -0.31 0.00 0.00 175.10 175.48 2yuj s ASN 113 N -1.73 5.40 0.58 4.85 -0.87 -1.26 -3.83 114.94 118.07 2yuj s ASN 113 Ca 0.20 -1.11 0.07 0.00 -1.57 0.00 0.00 52.86 50.45 2yuj s ASN 113 Cb -0.11 -1.90 0.07 0.00 -0.02 0.00 0.00 41.25 39.29 2yuj s ASN 113 CO 0.11 -0.34 0.59 -0.76 -2.57 0.00 0.00 177.10 174.14 2yuj s LEU 114 N 1.43 2.78 0.37 0.60 1.43 -1.26 -5.13 118.68 118.89 2yuj s LEU 114 Ca -0.01 -1.14 0.04 0.00 -1.03 0.00 0.00 54.13 51.99 2yuj s LEU 114 Cb -0.19 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.72 2yuj s LEU 114 CO 0.04 -1.29 0.05 0.00 0.23 0.00 0.00 176.35 175.37 2yuj s GLN 115 N -4.49 1.80 0.98 1.70 0.00 -1.26 -4.71 119.66 113.68 2yuj s GLN 115 Ca 0.45 -2.03 -0.11 0.00 -0.00 0.00 0.00 55.36 53.68 2yuj s GLN 115 Cb -0.04 -1.09 0.18 0.00 0.00 0.00 0.00 33.01 32.06 2yuj s GLN 115 CO 0.29 -0.19 1.09 1.33 0.00 0.00 0.00 175.29 177.80 2yuj n VAL 116 N -0.82 0.00 -4.00 3.63 0.24 -1.20 -0.41 118.33 115.76 2yuj n VAL 116 Ca -0.04 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.34 61.83 2yuj n VAL 116 Cb 0.67 -0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 32.00 2yuj n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yuj s ALA 117 N -2.58 3.76 -0.16 2.33 0.00 -1.26 -4.50 121.76 119.35 2yuj s ALA 117 Ca 0.67 -0.90 0.12 0.00 0.00 0.00 0.00 51.96 51.85 2yuj s ALA 117 Cb -0.23 -1.65 -0.18 0.00 0.00 0.00 0.00 23.12 21.06 2yuj s ALA 117 CO 0.60 0.76 0.02 0.25 0.00 0.00 0.00 175.76 177.39 2yuj n THR 118 N 0.62 1.07 -3.61 0.00 -2.24 -1.13 -4.53 114.28 104.47 2yuj n THR 118 Ca -0.09 -0.62 -0.25 0.00 -2.27 0.00 0.00 64.05 60.82 2yuj n THR 118 Cb 0.52 -0.68 -0.17 0.00 -2.10 0.00 0.00 70.33 67.90 2yuj n THR 118 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2yuj s TYR 119 N -2.38 0.13 -0.17 4.78 5.04 -1.26 -2.29 117.35 121.21 2yuj s TYR 119 Ca -0.11 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.34 2yuj s TYR 119 Cb 0.05 -0.63 0.02 0.00 0.35 0.00 0.00 41.96 41.75 2yuj s TYR 119 CO 0.61 -0.48 -0.18 -1.12 -1.34 0.00 0.00 175.55 173.04 2yuj s SER 120 N 2.16 2.96 -0.13 4.32 0.01 -0.99 -0.71 113.70 121.31 2yuj s SER 120 Ca 0.03 -0.59 -0.06 0.00 1.31 0.00 0.00 55.95 56.64 2yuj s SER 120 Cb -0.15 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 2yuj s SER 120 CO -0.09 -0.01 0.10 -0.75 0.41 0.00 0.00 173.24 172.90 2yuj s LYS 121 N 1.32 3.52 0.15 12.44 2.20 0.17 -1.63 119.74 137.91 2yuj s LYS 121 Ca 0.04 -0.22 0.11 0.00 -0.36 0.00 0.00 55.97 55.54 2yuj s LYS 121 Cb -0.13 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2yuj s LYS 121 CO -0.11 0.64 -0.24 -0.06 -0.36 0.00 0.00 175.35 175.22 2yuj s PHE 122 N -0.66 2.19 -0.34 4.03 0.40 -1.10 -1.53 117.98 120.97 2yuj s PHE 122 Ca 0.12 -0.39 -0.01 0.00 -0.60 0.00 0.00 56.93 56.06 2yuj s PHE 122 Cb -0.12 -1.14 0.12 0.00 0.51 0.00 0.00 43.02 42.40 2yuj s PHE 122 CO 0.02 0.38 0.18 -1.14 0.70 0.00 0.00 175.22 175.36 2yuj s GLN 123 N -2.33 0.57 -0.25 0.44 0.74 0.58 -2.30 119.66 117.12 2yuj s GLN 123 Ca 0.16 -1.19 -0.39 0.00 0.05 0.00 0.00 55.36 53.99 2yuj s GLN 123 Cb -0.09 -1.48 -0.14 0.00 1.10 0.00 0.00 33.01 32.40 2yuj s GLN 123 CO 0.07 -1.13 1.82 -2.30 -0.55 0.00 0.00 175.29 173.20 2yuj n PRO 124 N 4.37 1.35 0.08 1.67 -0.02 -1.26 -3.31 135.00 137.89 2yuj n PRO 124 Ca 0.05 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.95 2yuj n PRO 124 Cb 0.38 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2yuj n PRO 124 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2yuj h GLN 125 N 8.09 0.24 -6.06 -0.52 1.08 -1.85 -3.45 115.11 112.65 2yuj h GLN 125 Ca -0.45 -0.20 -0.65 0.00 -1.45 0.00 0.00 58.65 55.90 2yuj h GLN 125 Cb 1.31 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.69 2yuj h GLN 125 CO 0.97 0.86 -0.58 0.45 -0.95 0.00 0.00 178.83 179.58 2yuj s SER 126 N -6.92 5.68 0.42 1.46 0.15 -1.24 -5.01 113.70 108.25 2yuj s SER 126 Ca -0.04 0.10 0.29 0.00 0.70 0.00 0.00 55.95 57.01 2yuj s SER 126 Cb 0.11 -1.61 1.14 0.00 -1.71 0.00 0.00 66.02 63.95 2yuj s SER 126 CO 0.81 0.23 1.85 1.55 1.20 0.00 0.00 173.24 178.89 2yuj h PRO 127 N 3.74 0.00 -0.60 5.44 0.13 -1.95 -3.20 132.00 135.55 2yuj h PRO 127 Ca -0.48 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2yuj h PRO 127 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 2yuj h PRO 127 CO 0.65 0.00 0.30 0.22 -0.23 0.00 0.00 178.00 178.93 2yuj h ASP 128 N 0.00 0.41 -0.21 1.44 3.58 -1.98 0.61 116.42 120.27 2yuj h ASP 128 Ca 0.00 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.42 2yuj h ASP 128 Cb 0.50 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 2yuj h ASP 128 CO 0.00 0.26 -0.17 0.15 -2.88 0.00 0.00 179.24 176.60 2yuj h PHE 129 N 0.55 0.57 -0.15 0.28 3.57 -1.93 -3.01 116.94 116.82 2yuj h PHE 129 Ca 0.28 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.63 2yuj h PHE 129 Cb 0.23 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2yuj h PHE 129 CO -0.11 0.81 0.10 -0.07 -2.23 0.00 0.00 178.31 176.81 2yuj h LEU 130 N 0.16 0.15 -1.60 0.59 3.38 -1.56 -0.48 115.31 115.95 2yuj h LEU 130 Ca 0.04 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2yuj h LEU 130 Cb 0.70 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2yuj h LEU 130 CO 0.04 0.11 -0.20 0.44 0.09 0.00 0.00 178.44 178.92 2yuj h ASP 131 N 0.18 0.00 -3.50 -0.43 5.19 -0.75 -3.44 116.42 113.67 2yuj h ASP 131 Ca 0.06 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.93 2yuj h ASP 131 Cb 0.02 0.00 0.09 0.00 0.18 0.00 0.00 39.33 39.62 2yuj h ASP 131 CO -0.01 0.20 0.87 -0.38 -3.12 0.00 0.00 179.24 176.79 2yuj n ILE 132 N -3.71 1.31 0.08 0.35 5.41 -0.19 -4.90 119.36 117.71 2yuj n ILE 132 Ca -0.01 -0.33 -0.03 0.00 1.00 0.00 0.00 62.75 63.38 2yuj n ILE 132 Cb 0.31 -2.00 0.20 0.00 -0.71 0.00 0.00 39.64 37.44 2yuj n ILE 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yuj h THR 133 N 3.25 1.32 -2.82 1.39 1.03 -1.86 -3.35 112.91 111.86 2yuj h THR 133 Ca -0.48 -1.58 -0.61 0.00 -0.01 0.00 0.00 66.41 63.73 2yuj h THR 133 Cb 1.23 1.70 -0.41 0.00 -1.07 0.00 0.00 68.15 69.60 2yuj h THR 133 CO 0.75 0.47 -0.68 0.59 -0.01 0.00 0.00 175.52 176.64 2yuj n ASN 134 N -4.01 2.21 0.18 0.00 4.13 -1.26 -4.92 115.26 111.59 2yuj n ASN 134 Ca -0.02 -3.03 0.03 0.00 1.68 0.00 0.00 54.58 53.25 2yuj n ASN 134 Cb 0.50 -0.70 0.31 0.00 -1.54 0.00 0.00 39.78 38.35 2yuj n ASN 134 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2yuj h PRO 135 N 5.31 0.00 -0.32 3.52 0.13 -1.86 -3.08 132.00 135.70 2yuj h PRO 135 Ca 0.18 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.26 2yuj h PRO 135 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 2yuj h PRO 135 CO 0.64 0.43 0.02 0.87 -0.23 0.00 0.00 178.00 179.73 2yuj h LYS 136 N 0.00 0.56 -0.69 0.86 1.57 -1.95 0.44 116.57 117.36 2yuj h LYS 136 Ca -0.00 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 2yuj h LYS 136 Cb 0.88 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2yuj h LYS 136 CO 0.06 0.68 0.23 0.00 -0.57 0.00 0.00 179.45 179.84 2yuj h ALA 137 N 0.86 1.11 -0.22 3.86 0.00 -1.97 0.36 119.26 123.25 2yuj h ALA 137 Ca 0.09 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2yuj h ALA 137 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2yuj h ALA 137 CO 0.01 0.62 -0.57 0.28 0.00 0.00 0.00 179.25 179.59 2yuj h VAL 138 N 1.01 1.29 -0.08 0.00 2.07 -1.44 -0.92 116.25 118.18 2yuj h VAL 138 Ca 0.23 -1.78 -0.17 0.00 0.82 0.00 0.00 66.70 65.80 2yuj h VAL 138 Cb 0.26 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2yuj h VAL 138 CO -0.01 0.57 -0.67 0.25 0.02 0.00 0.00 177.57 177.73 2yuj h LEU 139 N 0.52 0.37 -0.36 2.57 5.85 -0.71 -2.46 115.31 121.10 2yuj h LEU 139 Ca -0.01 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.31 2yuj h LEU 139 Cb 1.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 2yuj h LEU 139 CO 0.12 0.94 -0.82 -0.33 -0.34 0.00 0.00 178.44 178.01 2yuj h GLU 140 N 0.23 0.02 -0.00 1.25 5.08 -0.29 -0.26 114.58 120.60 2yuj h GLU 140 Ca -0.02 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 2yuj h GLU 140 Cb 1.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2yuj h GLU 140 CO 0.11 0.83 -0.78 -0.91 -1.00 0.00 0.00 179.01 177.25 2yuj h ASN 141 N 0.01 0.06 0.40 1.42 2.35 -1.10 -3.18 115.58 115.53 2yuj h ASN 141 Ca -0.01 -0.04 -0.31 0.00 -0.55 0.00 0.00 56.30 55.38 2yuj h ASN 141 Cb 1.45 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.77 2yuj h ASN 141 CO 0.11 0.81 -1.71 0.00 -1.65 0.00 0.00 177.43 175.00 2yuj h ALA 142 N 1.18 0.52 -0.04 -0.83 0.00 -1.43 -3.34 119.26 115.33 2yuj h ALA 142 Ca -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 54.91 53.58 2yuj h ALA 142 Cb 1.38 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2yuj h ALA 142 CO 0.11 1.37 0.03 -0.07 0.00 0.00 0.00 179.25 180.69 2yuj h LEU 143 N 0.04 0.00 -2.05 0.00 3.38 -1.10 -1.33 115.31 114.25 2yuj h LEU 143 Ca -0.30 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.75 2yuj h LEU 143 Cb 2.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 2yuj h LEU 143 CO 0.11 0.00 0.21 0.03 0.09 0.00 0.00 178.44 178.88 2yuj h ARG 144 N 0.00 0.00 0.12 1.13 2.47 -1.67 -1.09 114.38 115.34 2yuj h ARG 144 Ca 0.02 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.46 2yuj h ARG 144 Cb 0.08 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2yuj h ARG 144 CO -0.00 0.00 -1.21 -0.91 0.56 0.00 0.00 179.97 178.41 2yuj h ASN 145 N 0.00 0.58 -3.94 7.04 2.35 -1.47 -3.46 115.58 116.69 2yuj h ASN 145 Ca 0.13 -0.57 -0.52 0.00 -0.55 0.00 0.00 56.30 54.79 2yuj h ASN 145 Cb 0.55 -0.19 0.07 0.00 0.05 0.00 0.00 38.32 38.80 2yuj h ASN 145 CO -0.00 1.42 0.57 -0.36 -1.65 0.00 0.00 177.43 177.41 2yuj s PHE 146 N -2.84 2.91 -0.06 1.19 0.08 -0.41 -4.01 117.98 114.83 2yuj s PHE 146 Ca -0.06 1.47 0.10 0.00 0.12 0.00 0.00 56.93 58.56 2yuj s PHE 146 Cb 0.07 -3.57 -0.15 0.00 -0.57 0.00 0.00 43.02 38.81 2yuj s PHE 146 CO 0.90 -1.80 0.13 0.00 -0.10 0.00 0.00 175.22 174.34 2yuj n ALA 147 N 0.09 2.06 -2.20 5.36 0.00 -1.26 -4.82 120.51 119.74 2yuj n ALA 147 Ca 0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 2yuj n ALA 147 Cb 0.45 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.64 2yuj n ALA 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yuj s LEU 149 N -2.89 0.39 0.25 0.00 1.43 -0.99 -4.94 118.68 111.94 2yuj s LEU 149 Ca 0.08 0.83 0.10 0.00 -1.03 0.00 0.00 54.13 54.11 2yuj s LEU 149 Cb 0.05 1.39 -0.05 0.00 0.03 0.00 0.00 46.19 47.61 2yuj s LEU 149 CO -0.06 -0.15 -0.17 -0.89 0.23 0.00 0.00 176.35 175.31 2yuj s THR 150 N 0.33 2.10 -0.57 5.49 2.01 -1.26 -1.68 115.64 122.07 2yuj s THR 150 Ca -0.01 -2.30 -0.27 0.00 0.31 0.00 0.00 61.69 59.41 2yuj s THR 150 Cb -0.03 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.28 2yuj s THR 150 CO -0.01 -0.49 1.63 -0.89 -0.69 0.00 0.00 174.62 174.18 2yuj s THR 151 N -2.75 3.57 0.00 -0.82 2.01 -1.09 -2.94 115.64 113.63 2yuj s THR 151 Ca 0.26 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2yuj s THR 151 Cb -0.03 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2yuj s THR 151 CO 0.11 -1.03 0.00 0.61 -0.69 0.00 0.00 174.62 173.62 2yuj n GLY 152 N 5.47 1.26 3.35 4.40 0.00 -0.38 -4.99 105.19 114.30 2yuj n GLY 152 Ca 0.16 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2yuj n GLY 152 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2yuj s ASP 153 N -2.11 5.76 -1.01 1.61 -1.08 -1.15 -4.85 116.67 113.85 2yuj s ASP 153 Ca 0.00 -1.16 -0.24 0.00 -0.52 0.00 0.00 52.55 50.63 2yuj s ASP 153 Cb 0.00 -2.03 -0.06 0.00 -1.46 0.00 0.00 42.92 39.36 2yuj s ASP 153 CO 0.00 -0.45 1.95 -0.69 0.52 0.00 0.00 175.17 176.50 2yuj s VAL 154 N 1.53 3.48 -0.12 1.11 1.01 -1.26 -3.38 120.40 122.77 2yuj s VAL 154 Ca 0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 2yuj s VAL 154 Cb -0.21 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 2yuj s VAL 154 CO 0.06 -0.95 0.41 0.27 0.00 0.00 0.00 175.10 174.89 2yuj s ILE 155 N 10.53 5.20 -0.07 2.22 -4.36 0.22 -4.79 121.20 130.15 2yuj s ILE 155 Ca 0.70 0.81 -0.05 0.00 -0.26 0.00 0.00 60.65 61.84 2yuj s ILE 155 Cb -0.05 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 2yuj s ILE 155 CO 0.05 0.38 0.16 0.00 0.24 0.00 0.00 174.94 175.76 2yuj s ALA 156 N 0.34 3.91 0.12 2.27 0.00 -1.26 -1.07 121.76 126.06 2yuj s ALA 156 Ca 0.23 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.56 2yuj s ALA 156 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.01 2yuj s ALA 156 CO 0.09 0.67 -0.16 0.96 0.00 0.00 0.00 175.76 177.31 2yuj s ILE 157 N -1.15 1.47 -0.06 0.00 -4.36 -0.64 -4.63 121.20 111.83 2yuj s ILE 157 Ca 0.20 -1.63 -0.05 0.00 -0.26 0.00 0.00 60.65 58.91 2yuj s ILE 157 Cb -0.12 -1.50 0.02 0.00 1.25 0.00 0.00 42.46 42.11 2yuj s ILE 157 CO 0.10 -0.28 0.16 0.21 0.24 0.00 0.00 174.94 175.37 2yuj s ASN 158 N -2.22 -0.15 0.00 4.36 3.84 -1.26 0.27 114.94 119.78 2yuj s ASN 158 Ca 0.07 0.32 0.00 0.00 0.21 0.00 0.00 52.86 53.46 2yuj s ASN 158 Cb -0.07 0.28 0.00 0.00 -0.55 0.00 0.00 41.25 40.91 2yuj s ASN 158 CO 0.04 -0.09 0.00 0.00 -2.79 0.00 0.00 177.10 174.26 2yuj n TYR 159 N 3.43 -1.35 -1.45 0.43 4.11 -1.25 -4.92 117.16 116.17 2yuj n TYR 159 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 57.90 57.41 2yuj n TYR 159 Cb 0.56 0.51 0.04 0.00 -0.00 0.00 0.00 39.34 40.45 2yuj n TYR 159 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.86 177.13 2yuj n ASN 160 N -2.50 7.26 -2.51 9.48 6.94 -1.26 -4.79 115.26 127.88 2yuj n ASN 160 Ca 0.00 -3.59 -0.21 0.00 -0.02 0.00 0.00 54.58 50.76 2yuj n ASN 160 Cb 0.00 -1.06 0.00 0.00 -2.36 0.00 0.00 39.78 36.36 2yuj n ASN 160 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2yuj n GLU 161 N -0.32 -2.43 -3.79 -3.83 4.71 -1.26 -4.98 120.64 108.74 2yuj n GLU 161 Ca 0.53 0.98 -0.13 0.00 -0.01 0.00 0.00 57.16 58.53 2yuj n GLU 161 Cb 0.51 -5.68 -0.13 0.00 -1.01 0.00 0.00 31.44 25.13 2yuj n GLU 161 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yuj s LYS 162 N -5.19 0.20 -0.50 3.49 1.02 -1.26 -5.12 119.74 112.37 2yuj s LYS 162 Ca 0.07 0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.17 2yuj s LYS 162 Cb -0.03 0.04 0.06 0.00 -0.52 0.00 0.00 37.83 37.38 2yuj s LYS 162 CO 0.09 -0.06 0.64 0.42 -0.92 0.00 0.00 175.35 175.52 2yuj s ILE 163 N 0.36 4.85 -0.27 2.17 1.09 -1.26 -3.75 121.20 124.40 2yuj s ILE 163 Ca -0.02 -0.44 -0.18 0.00 -1.10 0.00 0.00 60.65 58.91 2yuj s ILE 163 Cb -0.04 -4.30 -0.02 0.00 -1.06 0.00 0.00 42.46 37.04 2yuj s ILE 163 CO -0.02 -0.81 0.54 -0.31 -0.10 0.00 0.00 174.94 174.25 2yuj s TYR 164 N 2.69 3.26 -0.07 3.97 1.51 0.14 -4.87 117.35 123.97 2yuj s TYR 164 Ca 0.16 0.62 -0.30 0.00 -1.01 0.00 0.00 57.07 56.54 2yuj s TYR 164 Cb -0.19 -2.77 -0.03 0.00 -0.11 0.00 0.00 41.96 38.86 2yuj s TYR 164 CO 0.12 -0.32 1.13 -1.21 -1.11 0.00 0.00 175.55 174.16 2yuj s GLU 165 N 2.37 4.37 -0.05 -0.62 8.01 -1.26 -1.61 118.70 129.91 2yuj s GLU 165 Ca 0.22 1.57 0.01 0.00 0.01 0.00 0.00 54.97 56.78 2yuj s GLU 165 Cb -0.16 -3.55 0.02 0.00 -4.31 0.00 0.00 34.13 26.13 2yuj s GLU 165 CO 0.10 -0.41 -0.05 -0.51 0.01 0.00 0.00 175.26 174.40 2yuj s LEU 166 N 2.16 1.30 -0.06 1.80 1.43 -0.23 -2.68 118.68 122.39 2yuj s LEU 166 Ca 0.53 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 2yuj s LEU 166 Cb -0.22 -0.47 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 2yuj s LEU 166 CO 0.20 -0.06 -0.21 -0.60 0.23 0.00 0.00 176.35 175.91 2yuj s ARG 167 N 0.98 2.37 0.25 1.70 3.52 -1.21 0.70 118.95 127.25 2yuj s ARG 167 Ca -0.10 -0.77 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 2yuj s ARG 167 Cb -0.14 -1.95 -0.09 0.00 -1.56 0.00 0.00 34.95 31.20 2yuj s ARG 167 CO -0.00 0.27 0.99 0.08 -0.81 0.00 0.00 175.30 175.83 2yuj s VAL 168 N 0.07 3.91 -0.27 7.11 1.01 -1.22 -0.30 120.40 130.71 2yuj s VAL 168 Ca -0.08 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 2yuj s VAL 168 Cb -0.14 -4.21 -0.12 0.00 0.00 0.00 0.00 36.38 31.90 2yuj s VAL 168 CO 0.04 0.45 -0.33 0.23 0.00 0.00 0.00 175.10 175.50 2yuj n MET 169 N 1.47 0.58 -4.02 2.72 2.81 -0.58 -1.25 117.12 118.85 2yuj n MET 169 Ca -0.02 0.23 -0.08 0.00 -1.81 0.00 0.00 57.70 56.03 2yuj n MET 169 Cb 0.46 -1.46 -0.11 0.00 -0.71 0.00 0.00 33.22 31.40 2yuj n MET 169 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2yuj s GLU 170 N -2.49 0.42 0.08 0.03 2.12 -1.20 -4.56 118.70 113.09 2yuj s GLU 170 Ca -0.37 -0.82 -0.11 0.00 0.36 0.00 0.00 54.97 54.02 2yuj s GLU 170 Cb 0.14 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.68 2yuj s GLU 170 CO 0.49 -0.07 0.25 0.95 -0.54 0.00 0.00 175.26 176.34 2yuj s THR 171 N -2.32 0.11 0.05 -1.70 -4.23 -1.26 0.43 115.64 106.72 2yuj s THR 171 Ca -0.08 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.52 2yuj s THR 171 Cb -0.04 -1.16 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 2yuj s THR 171 CO -0.04 -0.51 -0.05 -0.54 -0.54 0.00 0.00 174.62 172.94 2yuj s LYS 172 N -3.39 0.53 0.13 3.99 1.02 0.11 -4.45 119.74 117.69 2yuj s LYS 172 Ca 0.01 -0.91 -0.01 0.00 0.02 0.00 0.00 55.97 55.08 2yuj s LYS 172 Cb 0.02 -0.04 -0.11 0.00 -0.52 0.00 0.00 37.83 37.19 2yuj s LYS 172 CO -0.09 -0.03 1.30 -1.00 -0.92 0.00 0.00 175.35 174.61 2yuj h PRO 173 N 3.98 0.27 -6.10 -1.68 0.13 -1.89 -2.98 132.00 123.73 2yuj h PRO 173 Ca -0.34 -0.33 -0.56 0.00 -0.87 0.00 0.00 66.00 63.90 2yuj h PRO 173 Cb 1.18 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2yuj h PRO 173 CO 0.51 1.06 -0.26 -0.51 -0.23 0.00 0.00 178.00 178.57 2yuj s ASP 174 N -7.02 4.74 0.13 1.44 1.11 -1.26 -5.04 116.67 110.77 2yuj s ASP 174 Ca -0.04 -1.15 -0.19 0.00 0.18 0.00 0.00 52.55 51.35 2yuj s ASP 174 Cb 0.09 0.37 -0.05 0.00 1.07 0.00 0.00 42.92 44.40 2yuj s ASP 174 CO 0.85 -1.15 1.78 0.07 1.18 0.00 0.00 175.17 177.90 2yuj h LYS 175 N 0.62 0.31 -5.35 8.23 2.10 -1.94 -3.42 116.57 117.14 2yuj h LYS 175 Ca -0.35 -0.02 -0.60 0.00 -2.00 0.00 0.00 60.65 57.68 2yuj h LYS 175 Cb 1.30 -0.07 -0.11 0.00 -0.90 0.00 0.00 32.23 32.45 2yuj h LYS 175 CO 0.53 0.21 -0.45 0.00 -2.00 0.00 0.00 179.45 177.74 2yuj s ALA 176 N -6.17 3.67 0.14 0.07 0.00 -1.26 -2.65 121.76 115.56 2yuj s ALA 176 Ca -0.13 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2yuj s ALA 176 Cb 0.09 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2yuj s ALA 176 CO 0.70 0.17 -0.05 0.14 0.00 0.00 0.00 175.76 176.71 2yuj s VAL 177 N 0.31 0.82 -0.45 0.00 -7.23 -0.67 -4.68 120.40 108.50 2yuj s VAL 177 Ca 0.10 -1.98 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 2yuj s VAL 177 Cb -0.12 -1.88 0.12 0.00 0.56 0.00 0.00 36.38 35.06 2yuj s VAL 177 CO -0.00 -0.70 0.18 -0.55 -0.31 0.00 0.00 175.10 173.72 2yuj s SER 178 N -3.12 4.58 -1.19 4.85 0.15 0.45 -2.33 113.70 117.08 2yuj s SER 178 Ca 0.17 -2.62 -0.19 0.00 0.70 0.00 0.00 55.95 54.02 2yuj s SER 178 Cb 0.05 -1.65 0.07 0.00 -1.71 0.00 0.00 66.02 62.78 2yuj s SER 178 CO -0.00 -0.31 1.60 0.27 1.20 0.00 0.00 173.24 176.00 2yuj s ILE 179 N 0.27 4.16 -0.69 6.45 -4.36 -0.73 -3.24 121.20 123.06 2yuj s ILE 179 Ca 0.14 -1.62 0.01 0.00 -0.26 0.00 0.00 60.65 58.93 2yuj s ILE 179 Cb -0.23 -5.12 0.17 0.00 1.25 0.00 0.00 42.46 38.54 2yuj s ILE 179 CO -0.04 -1.95 0.49 -0.63 0.24 0.00 0.00 174.94 173.06 2yuj s ILE 180 N 4.18 3.36 -0.32 8.37 1.01 -1.26 -4.59 121.20 131.95 2yuj s ILE 180 Ca 0.50 -3.65 -0.04 0.00 0.00 0.00 0.00 60.65 57.46 2yuj s ILE 180 Cb 0.02 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2yuj s ILE 180 CO 0.01 -0.95 0.13 1.21 0.00 0.00 0.00 174.94 175.35 2yuj n GLU 181 N 2.68 -3.04 -3.83 2.79 0.00 -1.26 -5.07 120.64 112.90 2yuj n GLU 181 Ca 0.14 2.51 -0.08 0.00 0.00 0.00 0.00 57.16 59.72 2yuj n GLU 181 Cb 0.35 -5.19 0.01 0.00 0.00 0.00 0.00 31.44 26.62 2yuj n GLU 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2yuj s ASP 183 N -3.03 4.60 0.46 0.00 1.11 -1.26 -5.10 116.67 113.45 2yuj s ASP 183 Ca 0.15 -1.60 0.03 0.00 0.18 0.00 0.00 52.55 51.30 2yuj s ASP 183 Cb -0.05 -1.60 -0.01 0.00 1.07 0.00 0.00 42.92 42.33 2yuj s ASP 183 CO 0.10 -0.26 0.09 0.00 1.18 0.00 0.00 175.17 176.29 2yuj s MET 184 N 1.07 2.07 -0.18 8.23 0.23 -1.26 -4.95 119.30 124.50 2yuj s MET 184 Ca -0.03 -2.30 -0.00 0.00 -1.03 0.00 0.00 55.69 52.33 2yuj s MET 184 Cb -0.20 -0.93 0.01 0.00 -1.53 0.00 0.00 34.83 32.18 2yuj s MET 184 CO -0.05 -0.47 -0.15 1.21 -2.03 0.00 0.00 175.02 173.52 2yuj s ASN 185 N -3.73 3.54 -0.26 -1.18 2.47 -0.97 -5.04 114.94 109.78 2yuj s ASN 185 Ca 0.15 -0.54 -0.12 0.00 0.42 0.00 0.00 52.86 52.78 2yuj s ASN 185 Cb 0.01 -1.56 -0.05 0.00 -1.45 0.00 0.00 41.25 38.20 2yuj s ASN 185 CO 0.10 0.02 0.21 -0.69 -3.72 0.00 0.00 177.10 173.02 2yuj s VAL 186 N 1.18 5.31 0.59 -5.21 1.01 -1.26 -2.36 120.40 119.65 2yuj s VAL 186 Ca 0.02 0.25 0.09 0.00 0.00 0.00 0.00 61.98 62.34 2yuj s VAL 186 Cb -0.14 -3.55 0.09 0.00 0.00 0.00 0.00 36.38 32.77 2yuj s VAL 186 CO -0.07 0.27 0.71 -1.81 0.00 0.00 0.00 175.10 174.21 2yuj s ASP 187 N 1.45 4.90 0.14 3.32 1.11 -0.65 -5.00 116.67 121.94 2yuj s ASP 187 Ca 0.09 -1.02 0.05 0.00 0.18 0.00 0.00 52.55 51.85 2yuj s ASP 187 Cb -0.15 0.48 -0.04 0.00 1.07 0.00 0.00 42.92 44.28 2yuj s ASP 187 CO 0.08 -1.36 -0.12 -0.36 1.18 0.00 0.00 175.17 174.59 2yuj s PHE 188 N -2.74 1.33 -0.38 4.23 0.08 -1.26 -2.70 117.98 116.53 2yuj s PHE 188 Ca 0.54 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.95 2yuj s PHE 188 Cb -0.04 -0.68 0.16 0.00 -0.57 0.00 0.00 43.02 41.88 2yuj s PHE 188 CO 0.34 0.12 0.33 0.34 -0.10 0.00 0.00 175.22 176.26 2yuj s ASP 189 N -2.90 1.67 0.00 1.36 -1.08 -0.97 -4.87 116.67 109.88 2yuj s ASP 189 Ca 0.14 -2.11 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 2yuj s ASP 189 Cb -0.01 0.11 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 2yuj s ASP 189 CO 0.02 -0.24 0.00 0.00 0.52 0.00 0.00 175.17 175.46