#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0v n ALA 4 N 0.00 -3.25 -1.02 0.00 0.00 -1.26 -4.90 120.51 110.07 1y0v n ALA 4 Ca 0.00 0.58 -0.32 0.00 0.00 0.00 0.00 53.44 53.70 1y0v n ALA 4 Cb 0.00 -1.76 0.13 0.00 0.00 0.00 0.00 19.45 17.82 1y0v n ALA 4 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1y0v s THR 5 N 0.47 2.55 0.20 0.00 -1.32 -1.26 -4.80 115.64 111.47 1y0v s THR 5 Ca 0.92 0.20 -0.11 0.00 -1.21 0.00 0.00 61.69 61.48 1y0v s THR 5 Cb -1.29 -2.48 0.13 0.00 -1.51 0.00 0.00 72.50 67.36 1y0v s THR 5 CO 0.60 -0.21 1.73 1.05 -2.21 0.00 0.00 174.62 175.57 1y0v h GLU 6 N -1.29 0.31 -0.97 7.08 4.11 -2.00 0.73 114.58 122.56 1y0v h GLU 6 Ca -0.44 -0.02 0.23 0.00 0.07 0.00 0.00 59.36 59.20 1y0v h GLU 6 Cb 1.26 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1y0v h GLU 6 CO 0.46 0.20 0.64 1.49 0.07 0.00 0.00 179.01 181.87 1y0v h GLU 7 N 0.31 0.37 0.00 1.06 4.81 -2.00 2.12 114.58 121.25 1y0v h GLU 7 Ca 0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1y0v h GLU 7 Cb 0.36 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1y0v h GLU 7 CO -0.32 0.25 0.00 0.94 -0.73 0.00 0.00 179.01 179.15 1y0v n GLN 8 N -4.53 0.78 0.01 1.92 7.27 0.25 -3.11 117.38 119.97 1y0v n GLN 8 Ca 0.22 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.26 1y0v n GLN 8 Cb 0.79 -1.14 -0.01 0.00 2.41 0.00 0.00 30.24 32.28 1y0v n GLN 8 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1y0v n ILE 9 N -0.64 0.87 -0.30 1.69 2.08 0.70 -4.23 119.36 119.53 1y0v n ILE 9 Ca 0.05 0.19 0.10 0.00 0.56 0.00 0.00 62.75 63.66 1y0v n ILE 9 Cb 0.02 -1.65 0.23 0.00 -0.75 0.00 0.00 39.64 37.49 1y0v n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y0v h ALA 10 N -0.17 1.02 0.56 -1.39 0.00 -1.21 0.34 119.26 118.41 1y0v h ALA 10 Ca -0.05 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1y0v h ALA 10 Cb 0.55 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1y0v h ALA 10 CO -0.03 -0.48 -0.27 0.93 0.00 0.00 0.00 179.25 179.40 1y0v h GLU 11 N 0.08 -0.73 0.00 0.00 5.08 -1.81 1.02 114.58 118.23 1y0v h GLU 11 Ca 0.51 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1y0v h GLU 11 Cb 0.99 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1y0v h GLU 11 CO -0.77 -0.49 0.68 0.74 -1.00 0.00 0.00 179.01 178.17 1y0v h PHE 12 N -0.87 0.00 0.00 4.33 0.04 -1.04 0.21 116.94 119.61 1y0v h PHE 12 Ca -0.08 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.45 1y0v h PHE 12 Cb 0.58 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.69 1y0v h PHE 12 CO 0.06 0.00 -1.84 1.63 -0.60 0.00 0.00 178.31 177.56 1y0v n LYS 13 N -2.37 0.34 0.20 1.51 4.01 0.95 -3.13 118.16 119.67 1y0v n LYS 13 Ca -0.01 0.12 0.17 0.00 -0.51 0.00 0.00 58.31 58.08 1y0v n LYS 13 Cb 0.69 -1.15 0.70 0.00 -0.51 0.00 0.00 35.03 34.75 1y0v n LYS 13 CO 0.00 0.00 0.00 1.49 -1.11 0.00 0.00 177.40 177.78 1y0v h GLU 14 N -0.31 0.00 0.00 1.97 4.22 0.31 0.59 114.58 121.37 1y0v h GLU 14 Ca -0.36 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.08 1y0v h GLU 14 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1y0v h GLU 14 CO -0.15 0.00 -1.68 0.00 -2.18 0.00 0.00 179.01 174.99 1y0v n ALA 15 N -2.06 2.65 0.18 2.92 0.00 0.55 -3.53 120.51 121.21 1y0v n ALA 15 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1y0v n ALA 15 Cb 0.61 -0.54 0.21 0.00 0.00 0.00 0.00 19.45 19.73 1y0v n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1y0v h PHE 16 N 0.00 0.00 0.00 0.00 3.57 0.16 -3.32 116.94 117.35 1y0v h PHE 16 Ca 0.00 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.30 1y0v h PHE 16 Cb 0.71 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1y0v h PHE 16 CO 0.00 0.37 -1.30 0.43 -2.23 0.00 0.00 178.31 175.58 1y0v n SER 17 N -3.32 1.87 -0.49 0.41 7.64 -0.19 -4.20 113.62 115.35 1y0v n SER 17 Ca 0.01 0.45 0.41 0.00 1.01 0.00 0.00 58.87 60.75 1y0v n SER 17 Cb 0.60 -0.90 0.63 0.00 -1.01 0.00 0.00 64.21 63.53 1y0v n SER 17 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1y0v n LEU 18 N -4.45 0.00 -1.54 -3.43 0.00 -1.23 0.31 117.00 106.66 1y0v n LEU 18 Ca -0.29 0.84 -0.12 0.00 0.00 0.00 0.00 56.01 56.45 1y0v n LEU 18 Cb 0.60 -0.38 0.19 0.00 0.00 0.00 0.00 43.42 43.83 1y0v n LEU 18 CO 0.14 -0.84 0.88 0.49 0.00 0.00 0.00 177.39 178.06 1y0v n PHE 19 N -3.52 1.79 -3.82 1.96 3.01 -1.25 -4.79 117.46 110.83 1y0v n PHE 19 Ca 0.34 -1.74 -0.32 0.00 1.01 0.00 0.00 57.45 56.74 1y0v n PHE 19 Cb 1.71 -0.66 -0.11 0.00 -0.01 0.00 0.00 39.48 40.41 1y0v n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1y0v s ASP 20 N -2.17 4.96 0.00 4.37 3.68 0.91 -4.97 116.67 123.45 1y0v s ASP 20 Ca 0.49 -3.28 0.00 0.00 2.13 0.00 0.00 52.55 51.89 1y0v s ASP 20 Cb 0.43 -1.74 0.00 0.00 -1.45 0.00 0.00 42.92 40.16 1y0v s ASP 20 CO 0.03 -0.23 0.71 1.17 0.13 0.00 0.00 175.17 176.98 1y0v n LYS 21 N 2.83 0.00 -0.12 4.34 0.00 -1.26 -2.37 118.16 121.57 1y0v n LYS 21 Ca 0.12 0.39 -0.01 0.00 0.00 0.00 0.00 58.31 58.81 1y0v n LYS 21 Cb 0.35 -1.21 -0.01 0.00 0.00 0.00 0.00 35.03 34.16 1y0v n LYS 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1y0v n ASP 22 N -1.39 1.06 0.00 3.14 5.75 -1.26 -4.79 116.55 119.06 1y0v n ASP 22 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1y0v n ASP 22 Cb 0.00 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.85 1y0v n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y0v n GLY 23 N 2.14 0.00 0.00 6.12 0.00 -1.00 -4.73 105.19 107.72 1y0v n GLY 23 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1y0v n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y0v n ASP 24 N 0.00 0.00 0.00 1.61 5.68 -1.26 -5.03 116.55 117.55 1y0v n ASP 24 Ca 0.00 0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1y0v n ASP 24 Cb 0.00 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 1y0v n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y0v n GLY 25 N 2.21 0.00 3.13 6.12 0.00 -1.26 -5.14 105.19 110.25 1y0v n GLY 25 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1y0v n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y0v s THR 26 N 0.00 0.09 0.12 2.61 -4.23 -1.26 -2.97 115.64 109.99 1y0v s THR 26 Ca 0.00 -0.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 1y0v s THR 26 Cb 0.00 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.30 1y0v s THR 26 CO 0.00 -0.39 -0.23 0.27 -0.54 0.00 0.00 174.62 173.73 1y0v s ILE 27 N -1.52 1.95 1.13 2.99 -4.36 -1.08 -4.95 121.20 115.35 1y0v s ILE 27 Ca -0.14 -1.65 -0.16 0.00 -0.26 0.00 0.00 60.65 58.45 1y0v s ILE 27 Cb -0.07 -1.76 0.25 0.00 1.25 0.00 0.00 42.46 42.14 1y0v s ILE 27 CO 0.01 -0.00 1.09 0.42 0.24 0.00 0.00 174.94 176.70 1y0v s THR 28 N -1.14 1.78 0.00 8.37 -4.23 -1.26 -3.04 115.64 116.12 1y0v s THR 28 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1y0v s THR 28 Cb -0.10 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.29 1y0v s THR 28 CO 0.05 0.00 0.79 0.41 -0.54 0.00 0.00 174.62 175.33 1y0v n THR 29 N -4.56 0.00 -0.24 3.99 -1.04 -1.26 -1.61 114.28 109.56 1y0v n THR 29 Ca 0.09 1.28 0.18 0.00 -2.04 0.00 0.00 64.05 63.56 1y0v n THR 29 Cb 0.58 -2.26 0.34 0.00 -1.82 0.00 0.00 70.33 67.17 1y0v n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1y0v n LYS 30 N -1.79 -0.05 -0.04 -2.82 4.01 -1.26 0.61 118.16 116.81 1y0v n LYS 30 Ca 0.00 1.06 -0.12 0.00 -0.51 0.00 0.00 58.31 58.74 1y0v n LYS 30 Cb 0.00 -1.80 -0.06 0.00 -0.51 0.00 0.00 35.03 32.66 1y0v n LYS 30 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 1y0v h GLU 31 N 0.00 0.24 -0.83 1.97 5.08 -1.89 -3.00 114.58 116.14 1y0v h GLU 31 Ca 0.55 -0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.99 1y0v h GLU 31 Cb 1.34 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.47 1y0v h GLU 31 CO -0.62 0.45 0.41 1.25 -1.00 0.00 0.00 179.01 179.49 1y0v h LEU 32 N -0.01 0.47 -0.20 1.33 5.85 0.12 0.13 115.31 122.99 1y0v h LEU 32 Ca 0.04 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1y0v h LEU 32 Cb 0.33 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 1y0v h LEU 32 CO 0.00 0.19 -0.44 1.23 -0.34 0.00 0.00 178.44 179.08 1y0v h GLY 33 N 0.57 -0.73 0.94 3.75 0.00 -1.36 -0.36 103.07 105.88 1y0v h GLY 33 Ca 0.46 0.55 0.08 0.00 0.00 0.00 0.00 47.33 48.42 1y0v h GLY 33 CO -0.38 -0.21 0.50 -0.84 0.00 0.00 0.00 176.54 175.62 1y0v h THR 34 N -0.47 0.99 -0.91 4.70 2.02 -0.75 -1.37 112.91 117.12 1y0v h THR 34 Ca 0.08 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1y0v h THR 34 Cb 0.62 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1y0v h THR 34 CO -0.45 0.14 0.53 0.58 0.37 0.00 0.00 175.52 176.69 1y0v h VAL 35 N 0.77 1.26 -0.11 3.16 2.07 0.77 -3.07 116.25 121.09 1y0v h VAL 35 Ca 0.34 -0.59 -0.22 0.00 0.82 0.00 0.00 66.70 67.05 1y0v h VAL 35 Cb 0.33 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1y0v h VAL 35 CO -0.12 0.28 -0.80 0.24 0.02 0.00 0.00 177.57 177.18 1y0v h MET 36 N 1.27 0.74 0.00 1.57 2.86 -0.30 -3.23 114.93 117.84 1y0v h MET 36 Ca 0.33 -0.65 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1y0v h MET 36 Cb -0.02 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1y0v h MET 36 CO -0.06 1.25 0.00 0.54 1.06 0.00 0.00 176.91 179.70 1y0v n ARG 37 N -3.96 0.00 -0.13 1.72 1.74 -0.81 -2.42 116.66 112.80 1y0v n ARG 37 Ca -0.08 0.40 0.02 0.00 -0.77 0.00 0.00 57.85 57.41 1y0v n ARG 37 Cb 0.76 -1.23 0.05 0.00 -1.02 0.00 0.00 32.46 31.02 1y0v n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1y0v n SER 38 N -1.44 -0.14 -1.51 0.55 3.41 -1.17 0.23 113.62 113.55 1y0v n SER 38 Ca 0.00 0.63 0.00 0.00 -0.26 0.00 0.00 58.87 59.24 1y0v n SER 38 Cb 0.00 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 1y0v n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y0v n LEU 39 N -4.59 2.79 0.00 1.04 7.99 -1.01 -4.78 117.00 118.43 1y0v n LEU 39 Ca 0.06 -1.28 0.00 0.00 -0.01 0.00 0.00 56.01 54.78 1y0v n LEU 39 Cb 0.18 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.92 1y0v n LEU 39 CO -0.04 0.51 0.00 0.61 -1.51 0.00 0.00 177.39 176.96 1y0v n GLY 40 N 1.42 1.51 3.19 -0.72 0.00 0.62 -4.94 105.19 106.27 1y0v n GLY 40 Ca 0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1y0v n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y0v n GLN 41 N 0.00 -1.02 -2.68 1.61 6.02 -1.03 -4.77 117.38 115.50 1y0v n GLN 41 Ca 0.00 -0.28 -0.05 0.00 -0.01 0.00 0.00 57.00 56.65 1y0v n GLN 41 Cb 0.00 -1.47 0.06 0.00 1.02 0.00 0.00 30.24 29.86 1y0v n GLN 41 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1y0v n ASN 42 N 0.10 -1.58 -3.37 1.08 6.94 -1.26 -2.55 115.26 114.62 1y0v n ASN 42 Ca -0.00 -2.20 -0.32 0.00 -0.02 0.00 0.00 54.58 52.05 1y0v n ASN 42 Cb 0.66 1.12 0.03 0.00 -2.36 0.00 0.00 39.78 39.23 1y0v n ASN 42 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1y0v n PRO 43 N -0.37 0.00 -1.87 -0.53 -0.04 -1.26 -4.95 135.00 125.98 1y0v n PRO 43 Ca -0.12 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.04 1y0v n PRO 43 Cb 0.74 -0.84 0.04 0.00 -0.04 0.00 0.00 33.50 33.41 1y0v n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1y0v s THR 44 N -1.68 3.64 0.63 0.52 -4.23 -1.26 -4.96 115.64 108.29 1y0v s THR 44 Ca 0.32 0.53 0.35 0.00 -1.18 0.00 0.00 61.69 61.71 1y0v s THR 44 Cb -0.02 -3.52 0.38 0.00 1.34 0.00 0.00 72.50 70.69 1y0v s THR 44 CO 0.62 -0.69 2.20 -0.33 -0.54 0.00 0.00 174.62 175.88 1y0v h GLU 45 N -0.62 0.00 0.00 3.99 5.08 -2.01 -3.00 114.58 118.01 1y0v h GLU 45 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1y0v h GLU 45 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1y0v h GLU 45 CO 0.63 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.64 1y0v n ALA 46 N -2.18 1.98 1.40 3.43 0.00 -1.26 -4.50 120.51 119.38 1y0v n ALA 46 Ca -0.01 -0.16 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1y0v n ALA 46 Cb 0.19 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.09 1y0v n ALA 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y0v n GLU 47 N -0.58 1.78 0.00 0.00 2.13 -1.15 -3.46 120.64 119.36 1y0v n GLU 47 Ca 0.00 -1.14 0.14 0.00 0.66 0.00 0.00 57.16 56.82 1y0v n GLU 47 Cb 0.01 -1.48 0.66 0.00 0.27 0.00 0.00 31.44 30.90 1y0v n GLU 47 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1y0v n LEU 48 N 0.39 0.16 -0.08 4.31 7.94 -1.15 -4.07 117.00 124.50 1y0v n LEU 48 Ca 0.18 0.24 -0.07 0.00 -1.11 0.00 0.00 56.01 55.24 1y0v n LEU 48 Cb 0.40 -0.30 -0.02 0.00 0.53 0.00 0.00 43.42 44.03 1y0v n LEU 48 CO 0.16 0.03 -0.55 0.00 -1.11 0.00 0.00 177.39 175.93 1y0v n GLN 49 N -1.25 0.50 -0.40 1.96 3.00 -1.22 -4.22 117.38 115.73 1y0v n GLN 49 Ca 0.12 0.33 0.35 0.00 -0.01 0.00 0.00 57.00 57.79 1y0v n GLN 49 Cb 0.28 -1.53 0.53 0.00 0.00 0.00 0.00 30.24 29.52 1y0v n GLN 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1y0v n ASP 50 N -4.51 0.00 -0.04 1.08 9.92 -1.26 0.30 116.55 122.04 1y0v n ASP 50 Ca -0.11 0.73 -0.17 0.00 -0.53 0.00 0.00 54.79 54.71 1y0v n ASP 50 Cb 0.42 -0.32 -0.13 0.00 -0.64 0.00 0.00 41.12 40.44 1y0v n ASP 50 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1y0v h MET 51 N 0.00 0.10 0.03 -1.24 2.86 -1.78 -3.23 114.93 111.67 1y0v h MET 51 Ca 0.61 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.90 1y0v h MET 51 Cb 2.81 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 34.51 1y0v h MET 51 CO -0.01 1.08 -0.93 0.97 1.06 0.00 0.00 176.91 179.08 1y0v h ILE 52 N -0.77 1.19 -0.48 -1.22 2.10 -0.36 -3.35 117.51 114.62 1y0v h ILE 52 Ca -0.11 -2.28 0.14 0.00 1.08 0.00 0.00 64.86 63.69 1y0v h ILE 52 Cb 1.28 2.67 -0.02 0.00 -1.09 0.00 0.00 36.82 39.66 1y0v h ILE 52 CO 0.02 0.49 0.57 -1.13 -1.08 0.00 0.00 178.15 177.02 1y0v h ASN 53 N -0.84 0.00 1.21 2.19 -1.24 0.43 0.32 115.58 117.64 1y0v h ASN 53 Ca -0.24 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.77 1y0v h ASN 53 Cb 1.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.37 1y0v h ASN 53 CO -0.09 0.00 -0.04 1.21 -1.29 0.00 0.00 177.43 177.22 1y0v n GLU 54 N -3.55 0.14 -3.33 6.67 4.07 -1.22 -4.46 120.64 118.96 1y0v n GLU 54 Ca 0.09 0.11 -0.25 0.00 -0.06 0.00 0.00 57.16 57.05 1y0v n GLU 54 Cb 0.76 -1.66 -0.09 0.00 -0.06 0.00 0.00 31.44 30.39 1y0v n GLU 54 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1y0v s VAL 55 N -3.06 0.19 -1.02 6.31 -7.23 0.10 -5.06 120.40 110.64 1y0v s VAL 55 Ca 0.12 -2.45 -0.07 0.00 -1.81 0.00 0.00 61.98 57.76 1y0v s VAL 55 Cb 0.15 -1.12 0.25 0.00 0.56 0.00 0.00 36.38 36.23 1y0v s VAL 55 CO 0.58 -1.11 0.98 -1.81 -0.31 0.00 0.00 175.10 173.42 1y0v s ASP 56 N 0.17 6.85 0.00 4.85 -0.00 -1.26 -4.69 116.67 122.60 1y0v s ASP 56 Ca 0.32 -3.56 0.10 0.00 -0.00 0.00 0.00 52.55 49.41 1y0v s ASP 56 Cb 0.03 -2.11 0.24 0.00 -0.00 0.00 0.00 42.92 41.08 1y0v s ASP 56 CO -0.18 -0.28 1.15 0.00 -0.00 0.00 0.00 175.17 175.86 1y0v n ALA 57 N 2.69 2.24 -2.66 5.23 0.00 -1.26 -4.74 120.51 122.01 1y0v n ALA 57 Ca 0.22 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1y0v n ALA 57 Cb 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1y0v n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1y0v n ASP 58 N 0.49 1.15 -1.04 0.00 8.00 -1.26 -4.91 116.55 118.98 1y0v n ASP 58 Ca 0.10 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1y0v n ASP 58 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 1y0v n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y0v n GLY 59 N 5.00 0.01 3.47 0.44 0.00 -1.26 -4.60 105.19 108.24 1y0v n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1y0v n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y0v n ASN 60 N 1.00 -6.02 0.00 1.61 5.15 -1.26 -4.61 115.26 111.13 1y0v n ASN 60 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1y0v n ASN 60 Cb 0.00 -2.99 0.00 0.00 -0.53 0.00 0.00 39.78 36.26 1y0v n ASN 60 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y0v n GLY 61 N -1.35 0.73 3.21 8.20 0.00 -1.26 -5.14 105.19 109.59 1y0v n GLY 61 Ca -0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 1y0v n GLY 61 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1y0v s THR 62 N -0.73 -0.18 -0.24 2.61 -1.32 -1.26 -4.06 115.64 110.46 1y0v s THR 62 Ca 0.00 0.13 -0.02 0.00 -1.21 0.00 0.00 61.69 60.60 1y0v s THR 62 Cb 0.00 -0.57 0.02 0.00 -1.51 0.00 0.00 72.50 70.44 1y0v s THR 62 CO 0.00 0.06 -0.07 -0.51 -2.21 0.00 0.00 174.62 171.88 1y0v s ILE 63 N 1.70 2.85 0.00 5.08 2.07 -1.17 -4.49 121.20 127.24 1y0v s ILE 63 Ca -0.07 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1y0v s ILE 63 Cb -0.10 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 40.07 1y0v s ILE 63 CO -0.12 0.24 0.00 -0.90 -1.91 0.00 0.00 174.94 172.26 1y0v n ASP 64 N 4.67 -0.09 -0.07 4.50 5.68 -1.26 -2.65 116.55 127.33 1y0v n ASP 64 Ca -0.17 -0.01 -0.20 0.00 -0.50 0.00 0.00 54.79 53.91 1y0v n ASP 64 Cb 0.48 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.33 1y0v n ASP 64 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1y0v h PHE 65 N -0.82 0.09 0.00 2.11 -1.00 -1.95 -2.76 116.94 112.60 1y0v h PHE 65 Ca 0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 1y0v h PHE 65 Cb 0.00 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1y0v h PHE 65 CO 0.00 1.37 0.00 -2.30 -1.61 0.00 0.00 178.31 175.77 1y0v n PRO 66 N -4.38 0.03 0.02 1.51 -0.02 -1.26 0.43 135.00 131.33 1y0v n PRO 66 Ca -0.25 0.31 -0.18 0.00 -2.02 0.00 0.00 63.50 61.36 1y0v n PRO 66 Cb 0.67 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.51 1y0v n PRO 66 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1y0v h GLU 67 N 0.00 0.23 0.02 -0.52 4.39 -1.91 -3.25 114.58 113.54 1y0v h GLU 67 Ca 0.00 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.31 1y0v h GLU 67 Cb 0.14 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1y0v h GLU 67 CO 0.00 1.07 -0.01 0.35 -1.16 0.00 0.00 179.01 179.26 1y0v h PHE 68 N 0.06 -0.03 0.00 4.33 3.57 -0.57 -2.98 116.94 121.31 1y0v h PHE 68 Ca -0.35 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.12 1y0v h PHE 68 Cb 2.04 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 40.78 1y0v h PHE 68 CO 0.06 0.70 -0.13 1.25 -2.23 0.00 0.00 178.31 177.97 1y0v h LEU 69 N -0.87 0.00 -1.62 0.59 5.85 -0.23 -1.01 115.31 118.02 1y0v h LEU 69 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1y0v h LEU 69 Cb 0.74 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1y0v h LEU 69 CO 0.01 0.13 0.00 0.41 -0.34 0.00 0.00 178.44 178.64 1y0v n THR 70 N -4.32 0.58 -0.06 1.05 -1.04 -1.23 -3.27 114.28 105.99 1y0v n THR 70 Ca -0.03 -0.59 0.02 0.00 -2.04 0.00 0.00 64.05 61.42 1y0v n THR 70 Cb 0.20 0.30 0.06 0.00 -1.82 0.00 0.00 70.33 69.07 1y0v n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1y0v n MET 71 N 0.79 2.78 -3.59 -2.82 0.00 -0.40 -4.76 117.12 109.12 1y0v n MET 71 Ca 0.15 -1.69 -0.35 0.00 -0.00 0.00 0.00 57.70 55.81 1y0v n MET 71 Cb 0.37 -1.11 -0.06 0.00 0.00 0.00 0.00 33.22 32.41 1y0v n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1y0v n MET 72 N -0.05 2.71 0.00 2.12 2.00 -1.13 -4.06 117.12 118.71 1y0v n MET 72 Ca 0.05 -4.51 0.00 0.00 0.00 0.00 0.00 57.70 53.24 1y0v n MET 72 Cb 0.31 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.14 1y0v n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1y0v n ALA 73 N 2.05 0.00 0.04 3.04 0.00 -1.26 -4.65 120.51 119.72 1y0v n ALA 73 Ca 0.23 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.87 1y0v n ALA 73 Cb 0.37 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.40 1y0v n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y0v h ARG 74 N 0.00 0.00 -1.17 0.00 2.47 -1.92 -2.87 114.38 110.90 1y0v h ARG 74 Ca 0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1y0v h ARG 74 Cb 0.00 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.12 1y0v h ARG 74 CO 0.00 0.00 -0.51 0.15 0.56 0.00 0.00 179.97 180.17 1y0v s LYS 75 N -4.43 0.88 0.00 0.04 1.02 -1.26 -4.98 119.74 111.02 1y0v s LYS 75 Ca -0.03 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 55.31 1y0v s LYS 75 Cb 0.13 -0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 1y0v s LYS 75 CO 0.43 -1.24 0.00 -0.12 -0.92 0.00 0.00 175.35 173.50 1y0v n MET 76 N 3.90 0.00 0.13 1.68 1.56 -1.08 -4.86 117.12 118.44 1y0v n MET 76 Ca 0.14 0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.67 1y0v n MET 76 Cb 0.55 0.00 0.48 0.00 2.15 0.00 0.00 33.22 36.40 1y0v n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1y0v n LYS 77 N 0.00 0.14 -0.05 2.12 4.81 -1.25 -2.57 118.16 121.36 1y0v n LYS 77 Ca 0.00 0.52 -0.03 0.00 -0.87 0.00 0.00 58.31 57.93 1y0v n LYS 77 Cb 0.00 -1.86 -0.01 0.00 0.02 0.00 0.00 35.03 33.18 1y0v n LYS 77 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1y0v h ASP 78 N 0.00 0.00 -2.42 3.14 1.82 -1.91 -3.46 116.42 113.58 1y0v h ASP 78 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 1y0v h ASP 78 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1y0v h ASP 78 CO 0.00 0.51 1.27 0.28 -1.61 0.00 0.00 179.24 179.69 1y0v s THR 79 N -1.82 3.30 -0.04 2.25 -1.32 -1.06 -4.79 115.64 112.16 1y0v s THR 79 Ca -0.09 0.34 0.15 0.00 -1.21 0.00 0.00 61.69 60.87 1y0v s THR 79 Cb 0.01 -3.31 0.27 0.00 -1.51 0.00 0.00 72.50 67.96 1y0v s THR 79 CO 0.14 -0.13 1.12 0.47 -2.21 0.00 0.00 174.62 174.01 1y0v n ASP 80 N 9.22 0.86 0.07 8.08 8.00 -1.26 -4.68 116.55 136.84 1y0v n ASP 80 Ca 0.22 -2.32 0.13 0.00 0.71 0.00 0.00 54.79 53.53 1y0v n ASP 80 Cb 0.44 -0.30 0.33 0.00 -0.02 0.00 0.00 41.12 41.57 1y0v n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1y0v n SER 81 N -0.03 0.65 -0.38 -2.24 3.41 -1.26 -4.37 113.62 109.39 1y0v n SER 81 Ca 0.06 0.32 -0.03 0.00 -0.26 0.00 0.00 58.87 58.97 1y0v n SER 81 Cb 0.90 -0.31 0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1y0v n SER 81 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1y0v n GLU 82 N -2.05 -0.27 -0.04 4.33 2.13 -1.26 -1.79 120.64 121.68 1y0v n GLU 82 Ca 0.05 1.49 -0.09 0.00 0.66 0.00 0.00 57.16 59.27 1y0v n GLU 82 Cb 0.41 -2.21 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 1y0v n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1y0v h GLU 83 N 0.00 0.18 -0.93 5.31 3.07 -1.99 -2.42 114.58 117.79 1y0v h GLU 83 Ca 0.30 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.31 1y0v h GLU 83 Cb 0.54 -0.04 -0.17 0.00 -0.84 0.00 0.00 28.75 28.24 1y0v h GLU 83 CO -0.96 0.12 -0.31 0.93 -1.40 0.00 0.00 179.01 177.39 1y0v h GLU 84 N 0.18 -0.01 -0.50 2.33 3.07 -1.62 1.00 114.58 119.02 1y0v h GLU 84 Ca 0.09 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1y0v h GLU 84 Cb 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 1y0v h GLU 84 CO -0.08 -0.01 0.22 0.82 -1.40 0.00 0.00 179.01 178.57 1y0v h ILE 85 N -0.02 1.18 0.00 3.13 2.04 -1.30 -1.60 117.51 120.95 1y0v h ILE 85 Ca 0.39 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1y0v h ILE 85 Cb 0.64 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1y0v h ILE 85 CO -0.95 0.21 0.00 -1.14 0.00 0.00 0.00 178.15 176.27 1y0v n ARG 86 N -4.37 0.11 -0.07 2.37 0.63 0.22 -3.10 116.66 112.46 1y0v n ARG 86 Ca 0.04 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 56.98 1y0v n ARG 86 Cb 0.14 -1.64 -0.14 0.00 0.45 0.00 0.00 32.46 31.26 1y0v n ARG 86 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1y0v n GLU 87 N -1.84 0.68 0.00 -0.14 1.02 -0.47 -3.59 120.64 116.30 1y0v n GLU 87 Ca 0.06 0.15 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1y0v n GLU 87 Cb 0.35 -1.62 0.05 0.00 -0.02 0.00 0.00 31.44 30.19 1y0v n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y0v n ALA 88 N -2.84 2.07 -0.01 0.62 0.00 -0.64 -2.13 120.51 117.57 1y0v n ALA 88 Ca -0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.10 1y0v n ALA 88 Cb 1.08 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 1y0v n ALA 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y0v n PHE 89 N -0.55 0.00 0.16 0.00 7.35 -1.20 -4.06 117.46 119.16 1y0v n PHE 89 Ca 0.01 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.84 1y0v n PHE 89 Cb 0.01 -0.09 0.42 0.00 0.35 0.00 0.00 39.48 40.17 1y0v n PHE 89 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1y0v h ARG 90 N -0.18 0.00 0.39 -4.13 3.08 -1.60 0.71 114.38 112.66 1y0v h ARG 90 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1y0v h ARG 90 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1y0v h ARG 90 CO 0.00 0.00 -0.19 0.28 -1.07 0.00 0.00 179.97 178.99 1y0v h VAL 91 N 0.00 0.58 -0.05 2.04 2.07 -1.62 -3.24 116.25 116.04 1y0v h VAL 91 Ca 0.15 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1y0v h VAL 91 Cb 1.77 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1y0v h VAL 91 CO -0.00 0.07 -0.03 -0.26 0.02 0.00 0.00 177.57 177.37 1y0v h PHE 92 N -0.77 0.12 -0.04 1.57 -1.00 0.15 -3.34 116.94 113.63 1y0v h PHE 92 Ca -0.05 -0.03 -0.16 0.00 2.81 0.00 0.00 57.97 60.53 1y0v h PHE 92 Cb 0.53 -0.03 0.04 0.00 3.61 0.00 0.00 35.95 40.10 1y0v h PHE 92 CO 0.00 0.51 0.60 -3.47 -1.61 0.00 0.00 178.31 174.34 1y0v n ASP 93 N -4.80 0.41 0.05 2.17 -0.08 0.28 -4.62 116.55 109.95 1y0v n ASP 93 Ca -0.07 -2.09 0.08 0.00 -1.51 0.00 0.00 54.79 51.20 1y0v n ASP 93 Cb 0.25 -1.02 0.36 0.00 2.34 0.00 0.00 41.12 43.06 1y0v n ASP 93 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1y0v n LYS 94 N 6.98 0.07 -0.00 -0.67 4.76 -1.25 -3.82 118.16 124.22 1y0v n LYS 94 Ca 0.31 0.32 0.04 0.00 -2.87 0.00 0.00 58.31 56.11 1y0v n LYS 94 Cb 0.44 -1.63 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 1y0v n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1y0v n ASP 95 N -1.75 2.82 0.00 4.39 5.75 -1.26 -5.02 116.55 121.47 1y0v n ASP 95 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 1y0v n ASP 95 Cb 0.18 1.29 0.00 0.00 -1.03 0.00 0.00 41.12 41.56 1y0v n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y0v n GLY 96 N 1.93 0.96 0.66 6.12 0.00 -1.25 -4.99 105.19 108.63 1y0v n GLY 96 Ca -0.01 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.07 1y0v n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1y0v n ASN 97 N 0.12 2.03 0.00 1.61 2.04 -1.26 -4.92 115.26 114.88 1y0v n ASN 97 Ca 0.00 -1.71 0.00 0.00 -0.44 0.00 0.00 54.58 52.43 1y0v n ASN 97 Cb 0.00 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.18 1y0v n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1y0v n GLY 98 N 1.23 0.15 3.23 4.83 0.00 -1.26 -4.92 105.19 108.45 1y0v n GLY 98 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1y0v n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y0v s TYR 99 N -1.42 1.67 0.56 1.61 1.51 -1.26 -4.19 117.35 115.83 1y0v s TYR 99 Ca 0.00 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 1y0v s TYR 99 Cb 0.00 -0.99 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 1y0v s TYR 99 CO 0.00 0.09 0.78 0.42 -1.11 0.00 0.00 175.55 175.73 1y0v s ILE 100 N -0.84 2.62 -0.27 2.71 1.01 0.30 -4.74 121.20 121.98 1y0v s ILE 100 Ca 0.06 -0.69 -0.24 0.00 0.00 0.00 0.00 60.65 59.78 1y0v s ILE 100 Cb -0.09 -2.93 0.09 0.00 0.01 0.00 0.00 42.46 39.54 1y0v s ILE 100 CO 0.02 0.00 0.80 -0.94 0.00 0.00 0.00 174.94 174.82 1y0v s SER 101 N -4.46 -0.69 0.43 3.58 1.04 -1.26 -3.63 113.70 108.71 1y0v s SER 101 Ca 0.58 1.30 0.35 0.00 0.48 0.00 0.00 55.95 58.66 1y0v s SER 101 Cb -0.10 1.31 1.38 0.00 0.10 0.00 0.00 66.02 68.72 1y0v s SER 101 CO 0.39 -0.22 1.34 0.00 0.98 0.00 0.00 173.24 175.72 1y0v n ALA 102 N 2.78 1.40 0.29 5.32 0.00 -1.26 0.14 120.51 129.17 1y0v n ALA 102 Ca -0.14 0.66 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 1y0v n ALA 102 Cb 0.56 -0.94 -0.09 0.00 0.00 0.00 0.00 19.45 18.97 1y0v n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y0v h ALA 103 N 1.12 -0.99 -0.01 0.00 0.00 -1.95 -1.86 119.26 115.57 1y0v h ALA 103 Ca 0.78 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 55.34 1y0v h ALA 103 Cb 2.84 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 21.22 1y0v h ALA 103 CO -0.21 -1.09 -0.82 1.05 0.00 0.00 0.00 179.25 178.18 1y0v h GLU 104 N -0.92 0.16 0.04 0.00 4.11 0.82 -2.47 114.58 116.32 1y0v h GLU 104 Ca -0.05 -0.16 -0.00 0.00 0.07 0.00 0.00 59.36 59.21 1y0v h GLU 104 Cb 0.80 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1y0v h GLU 104 CO -0.03 0.89 -0.03 1.25 0.07 0.00 0.00 179.01 181.16 1y0v h LEU 105 N 0.10 -0.08 -0.95 3.06 5.85 -0.93 0.36 115.31 122.72 1y0v h LEU 105 Ca -0.03 0.01 0.28 0.00 0.84 0.00 0.00 57.88 58.98 1y0v h LEU 105 Cb 1.42 0.02 -0.15 0.00 0.37 0.00 0.00 40.66 42.33 1y0v h LEU 105 CO 0.12 -0.04 0.41 -0.09 -0.34 0.00 0.00 178.44 178.50 1y0v h ARG 106 N -0.06 0.26 0.00 1.25 2.43 -1.43 0.39 114.38 117.23 1y0v h ARG 106 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1y0v h ARG 106 Cb 0.05 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1y0v h ARG 106 CO 0.00 0.17 0.00 1.58 -1.51 0.00 0.00 179.97 180.21 1y0v n HIS 107 N -5.14 0.00 -0.05 2.20 -0.00 -0.93 -1.43 115.22 109.87 1y0v n HIS 107 Ca 0.27 0.00 0.25 0.00 0.46 0.00 0.00 57.72 58.70 1y0v n HIS 107 Cb 0.85 -0.03 0.68 0.00 -0.12 0.00 0.00 29.99 31.36 1y0v n HIS 107 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1y0v h VAL 108 N 0.00 0.29 -0.23 3.57 2.07 -0.53 0.37 116.25 121.79 1y0v h VAL 108 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1y0v h VAL 108 Cb 0.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1y0v h VAL 108 CO 0.00 0.00 0.14 0.24 0.02 0.00 0.00 177.57 177.97 1y0v h MET 109 N 0.00 0.28 -0.17 1.57 2.07 0.22 -2.84 114.93 116.06 1y0v h MET 109 Ca 0.33 -0.02 -0.01 0.00 -2.07 0.00 0.00 59.70 57.93 1y0v h MET 109 Cb 1.70 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 31.36 1y0v h MET 109 CO -0.00 0.19 0.06 1.79 1.07 0.00 0.00 176.91 180.01 1y0v h THR 110 N 0.29 1.18 -0.95 2.22 1.35 0.93 -2.89 112.91 115.04 1y0v h THR 110 Ca 0.09 -0.55 0.19 0.00 -0.55 0.00 0.00 66.41 65.59 1y0v h THR 110 Cb -0.01 1.22 -0.11 0.00 -1.73 0.00 0.00 68.15 67.52 1y0v h THR 110 CO -0.04 0.17 0.53 0.78 -0.25 0.00 0.00 175.52 176.72 1y0v h ASN 111 N 0.11 0.65 0.00 5.36 -0.26 -1.40 1.73 115.58 121.77 1y0v h ASN 111 Ca 0.06 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1y0v h ASN 111 Cb 0.21 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1y0v h ASN 111 CO -0.00 0.21 0.00 0.18 -1.06 0.00 0.00 177.43 176.76 1y0v n LEU 112 N -4.84 0.48 -2.14 1.61 4.32 -1.08 -4.82 117.00 110.53 1y0v n LEU 112 Ca 0.22 -0.24 -0.06 0.00 -0.02 0.00 0.00 56.01 55.91 1y0v n LEU 112 Cb 0.56 -0.24 0.03 0.00 -1.62 0.00 0.00 43.42 42.14 1y0v n LEU 112 CO 0.20 0.12 0.02 0.61 -1.22 0.00 0.00 177.39 177.11 1y0v n GLY 113 N 0.18 0.11 3.30 -0.72 0.00 0.58 -5.08 105.19 103.55 1y0v n GLY 113 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1y0v n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y0v s GLU 114 N -3.73 0.39 -0.40 1.61 2.56 -0.74 -4.98 118.70 113.42 1y0v s GLU 114 Ca 0.15 0.90 -0.23 0.00 0.00 0.00 0.00 54.97 55.79 1y0v s GLU 114 Cb -0.02 0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.22 1y0v s GLU 114 CO 0.29 -0.19 0.75 0.15 -0.56 0.00 0.00 175.26 175.71 1y0v s LYS 115 N 1.78 3.59 -0.06 4.30 -0.14 -1.26 -2.73 119.74 125.22 1y0v s LYS 115 Ca -0.07 0.09 -0.01 0.00 -1.36 0.00 0.00 55.97 54.61 1y0v s LYS 115 Cb -0.09 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 32.16 1y0v s LYS 115 CO -0.13 -0.94 0.03 -0.51 -0.76 0.00 0.00 175.35 173.04 1y0v s LEU 116 N 3.09 3.69 -0.06 3.17 1.43 -1.26 -5.08 118.68 123.65 1y0v s LEU 116 Ca 0.29 0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.27 1y0v s LEU 116 Cb -0.13 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1y0v s LEU 116 CO 0.19 0.35 0.85 0.28 0.23 0.00 0.00 176.35 178.24 1y0v s THR 117 N -0.99 4.94 -0.35 5.49 -1.32 -1.26 -4.89 115.64 117.26 1y0v s THR 117 Ca 0.16 1.74 0.00 0.00 -1.21 0.00 0.00 61.69 62.38 1y0v s THR 117 Cb -0.12 -4.18 0.00 0.00 -1.51 0.00 0.00 72.50 66.70 1y0v s THR 117 CO 0.06 0.16 0.50 -0.67 -2.21 0.00 0.00 174.62 172.46 1y0v n ASP 118 N 4.15 0.00 -0.11 8.08 4.64 -1.26 0.13 116.55 132.19 1y0v n ASP 118 Ca 0.03 0.10 -0.21 0.00 -1.38 0.00 0.00 54.79 53.33 1y0v n ASP 118 Cb 0.51 -0.10 -0.09 0.00 -1.04 0.00 0.00 41.12 40.40 1y0v n ASP 118 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1y0v n GLU 119 N -1.00 0.55 -0.34 -0.67 -0.58 -1.26 -3.90 120.64 113.45 1y0v n GLU 119 Ca 0.00 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 1y0v n GLU 119 Cb 0.26 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1y0v n GLU 119 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1y0v n GLU 120 N -4.42 0.94 0.01 3.49 1.02 0.12 -2.20 120.64 119.61 1y0v n GLU 120 Ca -0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 1y0v n GLU 120 Cb 0.66 -1.03 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 1y0v n GLU 120 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y0v n VAL 121 N 1.24 0.01 0.95 2.62 0.31 -1.19 -4.03 118.33 118.25 1y0v n VAL 121 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1y0v n VAL 121 Cb 0.47 -0.64 0.27 0.00 -0.91 0.00 0.00 33.84 33.03 1y0v n VAL 121 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1y0v n ASP 122 N -2.62 0.00 -0.11 4.52 8.00 -1.15 -1.64 116.55 123.55 1y0v n ASP 122 Ca 0.00 -0.67 -0.22 0.00 0.71 0.00 0.00 54.79 54.61 1y0v n ASP 122 Cb 0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.09 1y0v n ASP 122 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1y0v n GLU 123 N -0.80 0.49 0.00 -1.24 0.00 -0.93 -4.15 120.64 114.00 1y0v n GLU 123 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.44 1y0v n GLU 123 Cb 0.03 -1.33 0.00 0.00 0.00 0.00 0.00 31.44 30.14 1y0v n GLU 123 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1y0v n MET 124 N -4.10 0.00 -0.08 5.31 2.81 -0.65 -2.55 117.12 117.86 1y0v n MET 124 Ca -0.41 0.45 -0.01 0.00 -1.81 0.00 0.00 57.70 55.92 1y0v n MET 124 Cb 0.77 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1y0v n MET 124 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1y0v n ILE 125 N -1.81 -0.12 0.00 2.02 2.08 -0.73 -0.77 119.36 120.03 1y0v n ILE 125 Ca 0.00 0.51 0.00 0.00 0.56 0.00 0.00 62.75 63.82 1y0v n ILE 125 Cb 0.00 -0.66 0.00 0.00 -0.75 0.00 0.00 39.64 38.23 1y0v n ILE 125 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1y0v n ARG 126 N -4.30 0.00 0.00 0.38 0.63 -1.05 -0.84 116.66 111.47 1y0v n ARG 126 Ca 0.02 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 1y0v n ARG 126 Cb 0.08 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.58 1y0v n ARG 126 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1y0v n GLU 127 N -2.12 0.00 -0.08 -0.14 2.13 0.05 0.94 120.64 121.41 1y0v n GLU 127 Ca 0.00 0.10 -0.08 0.00 0.66 0.00 0.00 57.16 57.84 1y0v n GLU 127 Cb 0.00 -1.55 -0.14 0.00 0.27 0.00 0.00 31.44 30.02 1y0v n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y0v n ALA 128 N -0.98 1.62 -2.65 4.31 0.00 -0.48 -4.94 120.51 117.39 1y0v n ALA 128 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 53.44 51.88 1y0v n ALA 128 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.31 1y0v n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1y0v s ASP 129 N -5.13 7.30 -0.14 0.00 3.68 0.27 -4.79 116.67 117.85 1y0v s ASP 129 Ca -0.09 1.73 0.09 0.00 2.13 0.00 0.00 52.55 56.42 1y0v s ASP 129 Cb 0.06 -2.57 -0.15 0.00 -1.45 0.00 0.00 42.92 38.80 1y0v s ASP 129 CO 0.73 -0.31 -0.00 -0.38 0.13 0.00 0.00 175.17 175.33 1y0v n ILE 130 N 3.94 0.95 -0.38 4.11 5.41 -1.26 -4.51 119.36 127.61 1y0v n ILE 130 Ca 0.07 -0.53 0.06 0.00 1.00 0.00 0.00 62.75 63.35 1y0v n ILE 130 Cb 0.50 -0.76 0.31 0.00 -0.71 0.00 0.00 39.64 38.98 1y0v n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1y0v n ASP 131 N -2.63 4.45 -0.22 4.38 5.75 -1.26 -4.95 116.55 122.06 1y0v n ASP 131 Ca -0.24 -2.58 -0.02 0.00 -0.01 0.00 0.00 54.79 51.93 1y0v n ASP 131 Cb 0.91 -0.60 -0.01 0.00 -1.03 0.00 0.00 41.12 40.40 1y0v n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y0v n GLY 132 N 0.71 0.24 0.82 6.12 0.00 -1.26 -4.83 105.19 106.98 1y0v n GLY 132 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 1y0v n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y0v n ASP 133 N -0.24 2.26 0.00 1.61 5.75 -1.26 -4.84 116.55 119.83 1y0v n ASP 133 Ca -0.02 -2.02 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 1y0v n ASP 133 Cb 0.41 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 1y0v n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y0v n GLY 134 N 0.29 0.69 3.33 6.12 0.00 -1.26 -4.89 105.19 109.48 1y0v n GLY 134 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1y0v n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1y0v s GLN 135 N 0.00 1.37 -0.26 1.61 -2.07 -1.26 -4.79 119.66 114.26 1y0v s GLN 135 Ca 0.00 -1.21 -0.17 0.00 -1.82 0.00 0.00 55.36 52.16 1y0v s GLN 135 Cb 0.00 -1.71 -0.03 0.00 -1.09 0.00 0.00 33.01 30.18 1y0v s GLN 135 CO 0.00 0.41 0.48 0.14 -1.32 0.00 0.00 175.29 175.00 1y0v s VAL 136 N -1.02 5.10 0.60 3.63 -7.23 -1.24 -4.88 120.40 115.36 1y0v s VAL 136 Ca 0.11 0.80 0.01 0.00 -1.81 0.00 0.00 61.98 61.09 1y0v s VAL 136 Cb -0.10 -3.80 0.06 0.00 0.56 0.00 0.00 36.38 33.11 1y0v s VAL 136 CO 0.04 0.11 0.84 0.54 -0.31 0.00 0.00 175.10 176.32 1y0v s ASN 137 N 1.56 4.99 0.15 4.85 2.20 -1.26 -0.54 114.94 126.88 1y0v s ASN 137 Ca 0.20 -0.16 -0.28 0.00 -0.94 0.00 0.00 52.86 51.68 1y0v s ASN 137 Cb -0.16 -0.55 -0.02 0.00 -2.00 0.00 0.00 41.25 38.52 1y0v s ASN 137 CO 0.09 -1.37 1.58 0.22 -2.94 0.00 0.00 177.10 174.68 1y0v h TYR 138 N -0.11 -1.25 -0.94 1.54 3.20 -1.99 -0.88 116.97 116.54 1y0v h TYR 138 Ca -0.40 0.06 0.10 0.00 3.14 0.00 0.00 58.73 61.63 1y0v h TYR 138 Cb 1.29 0.59 -0.12 0.00 1.54 0.00 0.00 36.73 40.03 1y0v h TYR 138 CO 0.21 -0.45 -0.51 0.39 -1.64 0.00 0.00 178.16 176.15 1y0v n GLU 139 N -5.42 -0.37 0.09 1.82 4.71 -1.26 0.23 120.64 120.45 1y0v n GLU 139 Ca -0.02 1.43 -0.04 0.00 -0.01 0.00 0.00 57.16 58.52 1y0v n GLU 139 Cb 0.35 -2.10 0.14 0.00 -1.01 0.00 0.00 31.44 28.82 1y0v n GLU 139 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1y0v h GLU 140 N 0.00 0.21 -0.42 3.49 4.11 -1.83 -2.64 114.58 117.50 1y0v h GLU 140 Ca 0.19 -0.14 0.07 0.00 0.07 0.00 0.00 59.36 59.55 1y0v h GLU 140 Cb 0.43 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1y0v h GLU 140 CO -0.90 0.74 0.07 0.35 0.07 0.00 0.00 179.01 179.34 1y0v h PHE 141 N 0.15 0.11 0.06 2.06 3.57 0.95 -0.50 116.94 123.34 1y0v h PHE 141 Ca -0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1y0v h PHE 141 Cb 1.08 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1y0v h PHE 141 CO 0.02 -0.01 -0.31 0.28 -2.23 0.00 0.00 178.31 176.06 1y0v h VAL 142 N 0.20 0.00 -0.02 1.41 2.07 0.09 -2.45 116.25 117.56 1y0v h VAL 142 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1y0v h VAL 142 Cb 0.26 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1y0v h VAL 142 CO -0.28 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 178.85 1y0v h GLN 143 N -0.43 -0.01 -0.63 1.57 4.20 -1.04 -0.31 115.11 118.47 1y0v h GLN 143 Ca -0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1y0v h GLN 143 Cb 0.44 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.10 1y0v h GLN 143 CO -0.17 -0.01 -0.07 -0.12 -0.67 0.00 0.00 178.83 177.79 1y0v n MET 144 N -2.87 -0.05 0.16 1.46 1.56 -0.26 0.54 117.12 117.66 1y0v n MET 144 Ca -0.00 0.96 -0.07 0.00 -0.27 0.00 0.00 57.70 58.32 1y0v n MET 144 Cb 0.01 -1.47 -0.03 0.00 2.15 0.00 0.00 33.22 33.87 1y0v n MET 144 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1y0v h MET 145 N 0.00 -0.42 0.25 2.12 1.85 -0.79 -3.38 114.93 114.56 1y0v h MET 145 Ca 0.34 0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.45 1y0v h MET 145 Cb 0.63 0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.75 1y0v h MET 145 CO -0.62 -0.28 -0.12 1.79 -0.40 0.00 0.00 176.91 177.28 1y0v h THR 146 N -0.73 0.80 -1.41 -0.77 1.35 0.24 -3.43 112.91 108.96 1y0v h THR 146 Ca -0.04 -0.55 -0.68 0.00 -0.55 0.00 0.00 66.41 64.59 1y0v h THR 146 Cb 0.34 1.11 0.09 0.00 -1.73 0.00 0.00 68.15 67.96 1y0v h THR 146 CO 0.07 0.12 -0.17 0.00 -0.25 0.00 0.00 175.52 175.29 1y0v n ALA 147 N -2.41 -2.21 0.78 6.62 0.00 0.19 -5.07 120.51 118.41 1y0v n ALA 147 Ca -0.09 0.47 0.09 0.00 0.00 0.00 0.00 53.44 53.90 1y0v n ALA 147 Cb 0.24 -1.78 0.08 0.00 0.00 0.00 0.00 19.45 17.99 1y0v n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67