#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4y s GLU 3 N 0.00 0.55 -0.23 0.00 4.04 -1.26 -1.04 118.70 120.76 1y4y s GLU 3 Ca 0.00 -0.53 -0.15 0.00 0.04 0.00 0.00 54.97 54.34 1y4y s GLU 3 Cb 0.00 0.22 0.07 0.00 0.02 0.00 0.00 34.13 34.44 1y4y s GLU 3 CO 0.00 -0.14 0.57 0.21 -1.84 0.00 0.00 175.26 174.06 1y4y s LYS 4 N -1.89 0.60 -0.09 -4.83 2.20 -0.59 -5.01 119.74 110.13 1y4y s LYS 4 Ca -0.11 0.99 -0.07 0.00 -0.36 0.00 0.00 55.97 56.42 1y4y s LYS 4 Cb -0.05 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1y4y s LYS 4 CO -0.01 -0.14 0.17 0.99 -0.36 0.00 0.00 175.35 176.01 1y4y s THR 5 N 1.26 5.45 0.19 3.43 2.01 -1.26 -1.00 115.64 125.72 1y4y s THR 5 Ca -0.08 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1y4y s THR 5 Cb -0.06 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.95 1y4y s THR 5 CO -0.13 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.95 1y4y s PHE 6 N -1.09 1.42 -0.15 4.92 0.40 0.84 -4.99 117.98 119.33 1y4y s PHE 6 Ca 0.18 -0.86 -0.02 0.00 -0.60 0.00 0.00 56.93 55.63 1y4y s PHE 6 Cb -0.12 -0.78 -0.02 0.00 0.51 0.00 0.00 43.02 42.60 1y4y s PHE 6 CO 0.08 0.01 -0.08 0.21 0.70 0.00 0.00 175.22 176.13 1y4y s LYS 7 N -3.81 3.53 -0.28 0.44 2.47 -1.26 -1.23 119.74 119.60 1y4y s LYS 7 Ca 0.23 -0.60 -0.27 0.00 -1.56 0.00 0.00 55.97 53.77 1y4y s LYS 7 Cb 0.04 -2.80 0.01 0.00 -1.46 0.00 0.00 37.83 33.63 1y4y s LYS 7 CO 0.05 0.21 0.97 0.08 0.16 0.00 0.00 175.35 176.82 1y4y s VAL 8 N 0.42 4.67 -0.74 4.02 1.01 0.17 -2.35 120.40 127.59 1y4y s VAL 8 Ca -0.07 1.71 0.14 0.00 0.00 0.00 0.00 61.98 63.76 1y4y s VAL 8 Cb -0.15 -4.29 -0.14 0.00 0.00 0.00 0.00 36.38 31.81 1y4y s VAL 8 CO 0.04 -0.27 0.62 1.33 0.00 0.00 0.00 175.10 176.82 1y4y n VAL 9 N 5.53 0.00 -2.25 2.92 0.24 0.13 -0.93 118.33 123.97 1y4y n VAL 9 Ca 0.09 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.80 1y4y n VAL 9 Cb 0.47 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.83 1y4y n VAL 9 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1y4y s SER 10 N -2.27 6.94 0.32 -1.34 0.15 -1.12 -4.92 113.70 111.46 1y4y s SER 10 Ca 0.06 2.38 -0.00 0.00 0.70 0.00 0.00 55.95 59.09 1y4y s SER 10 Cb 0.11 -2.61 0.52 0.00 -1.71 0.00 0.00 66.02 62.32 1y4y s SER 10 CO 0.56 -0.48 1.97 0.44 1.20 0.00 0.00 173.24 176.93 1y4y h ASP 11 N 5.18 0.84 -0.40 5.45 3.45 -1.94 -2.53 116.42 126.48 1y4y h ASP 11 Ca -0.45 -0.03 0.00 0.00 0.43 0.00 0.00 57.03 56.98 1y4y h ASP 11 Cb 1.21 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.77 1y4y h ASP 11 CO 0.76 0.63 0.00 -1.54 -1.57 0.00 0.00 179.24 177.52 1y4y n SER 12 N -4.41 3.45 0.00 6.45 3.41 -1.26 -4.41 113.62 116.85 1y4y n SER 12 Ca 0.08 -2.38 0.00 0.00 -0.26 0.00 0.00 58.87 56.31 1y4y n SER 12 Cb 0.05 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1y4y n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y4y n GLY 13 N 0.69 2.06 3.09 5.00 0.00 -0.95 -4.23 105.19 110.84 1y4y n GLY 13 Ca 0.17 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 1y4y n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4y s ILE 14 N 0.00 3.03 0.29 -0.61 1.01 -0.32 -4.76 121.20 119.85 1y4y s ILE 14 Ca 0.00 -2.25 -0.10 0.00 0.00 0.00 0.00 60.65 58.30 1y4y s ILE 14 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1y4y s ILE 14 CO 0.00 -0.69 0.51 -1.00 0.00 0.00 0.00 174.94 173.76 1y4y s HIS 15 N 0.93 0.55 0.00 3.97 3.76 -1.26 -4.32 115.29 118.92 1y4y s HIS 15 Ca 0.10 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.10 1y4y s HIS 15 Cb -0.22 0.18 0.00 0.00 1.11 0.00 0.00 32.58 33.65 1y4y s HIS 15 CO -0.05 -1.10 0.00 0.00 -0.85 0.00 0.00 174.74 172.74 1y4y n ALA 16 N -0.45 0.00 -0.01 -1.40 0.00 -1.26 -2.60 120.51 114.78 1y4y n ALA 16 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1y4y n ALA 16 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 1y4y n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1y4y h ARG 17 N 0.00 0.13 -0.87 0.00 2.43 -2.00 -1.91 114.38 112.16 1y4y h ARG 17 Ca 0.00 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.28 1y4y h ARG 17 Cb 0.00 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.46 1y4y h ARG 17 CO 0.00 0.20 0.56 -1.35 -1.51 0.00 0.00 179.97 177.88 1y4y h PRO 18 N 0.03 0.69 -0.55 0.20 0.11 -1.95 -0.41 132.00 130.12 1y4y h PRO 18 Ca 0.03 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 1y4y h PRO 18 Cb 0.11 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.04 1y4y h PRO 18 CO -0.00 0.45 0.08 0.00 -0.21 0.00 0.00 178.00 178.32 1y4y h ALA 19 N 1.60 0.73 -0.71 -0.75 0.00 -1.15 -1.73 119.26 117.24 1y4y h ALA 19 Ca 0.43 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1y4y h ALA 19 Cb 0.66 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1y4y h ALA 19 CO -0.19 0.48 0.38 1.15 0.00 0.00 0.00 179.25 181.07 1y4y h THR 20 N 0.80 0.91 -0.32 0.00 2.02 -0.49 -0.94 112.91 114.89 1y4y h THR 20 Ca 0.17 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 1y4y h THR 20 Cb 0.43 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1y4y h THR 20 CO 0.01 0.12 -0.37 0.40 0.37 0.00 0.00 175.52 176.06 1y4y h ILE 21 N 0.67 1.28 -0.18 3.11 2.04 -0.86 -1.23 117.51 122.35 1y4y h ILE 21 Ca 0.33 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1y4y h ILE 21 Cb 0.28 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1y4y h ILE 21 CO -0.22 0.50 0.06 0.25 0.00 0.00 0.00 178.15 178.74 1y4y h LEU 22 N 0.62 0.07 -0.83 1.44 5.85 -0.89 -1.12 115.31 120.45 1y4y h LEU 22 Ca 0.06 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1y4y h LEU 22 Cb 0.91 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 1y4y h LEU 22 CO 0.08 0.07 0.53 0.58 -0.34 0.00 0.00 178.44 179.36 1y4y h VAL 23 N 0.15 1.11 -0.76 1.05 2.07 -0.86 -1.93 116.25 117.08 1y4y h VAL 23 Ca 0.07 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1y4y h VAL 23 Cb 0.04 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.79 1y4y h VAL 23 CO -0.07 0.18 0.32 1.56 0.02 0.00 0.00 177.57 179.58 1y4y h GLN 24 N 1.01 1.12 -0.29 1.57 4.20 -0.77 -1.01 115.11 120.94 1y4y h GLN 24 Ca 0.34 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1y4y h GLN 24 Cb 0.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1y4y h GLN 24 CO -0.13 0.91 0.18 1.15 -0.67 0.00 0.00 178.83 180.27 1y4y h THR 25 N 1.09 1.09 -0.96 -0.54 2.02 -0.91 -2.58 112.91 112.12 1y4y h THR 25 Ca 0.25 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1y4y h THR 25 Cb 0.19 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 1y4y h THR 25 CO -0.02 0.09 0.63 0.00 0.37 0.00 0.00 175.52 176.59 1y4y h ALA 26 N 1.08 1.40 0.00 6.16 0.00 -0.92 -2.65 119.26 124.32 1y4y h ALA 26 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y4y h ALA 26 Cb -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.45 1y4y h ALA 26 CO -0.02 0.50 0.00 0.66 0.00 0.00 0.00 179.25 180.39 1y4y h SER 27 N 1.19 0.00 0.40 0.00 4.64 -0.79 -2.37 113.55 116.62 1y4y h SER 27 Ca 0.39 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 1y4y h SER 27 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1y4y h SER 27 CO -0.13 0.00 -0.11 0.11 -0.87 0.00 0.00 176.83 175.83 1y4y h LYS 28 N 0.00 0.00 -5.84 4.77 1.57 -1.35 -3.45 116.57 112.26 1y4y h LYS 28 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1y4y h LYS 28 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1y4y h LYS 28 CO 0.00 0.11 -0.51 -0.06 -0.57 0.00 0.00 179.45 178.42 1y4y s PHE 29 N -4.15 3.50 0.38 -1.35 0.40 -0.89 -5.00 117.98 110.86 1y4y s PHE 29 Ca -0.03 0.33 0.09 0.00 -0.60 0.00 0.00 56.93 56.72 1y4y s PHE 29 Cb 0.13 -1.81 0.75 0.00 0.51 0.00 0.00 43.02 42.60 1y4y s PHE 29 CO 0.58 0.63 1.91 -0.91 0.70 0.00 0.00 175.22 178.12 1y4y h ASN 30 N 3.85 0.26 -3.75 1.36 2.35 -1.88 -3.45 115.58 114.31 1y4y h ASN 30 Ca -0.49 -0.05 -0.57 0.00 -0.55 0.00 0.00 56.30 54.64 1y4y h ASN 30 Cb 1.19 -0.07 0.16 0.00 0.05 0.00 0.00 38.32 39.65 1y4y h ASN 30 CO 0.68 0.41 0.27 -1.20 -1.65 0.00 0.00 177.43 175.94 1y4y n SER 31 N -4.27 1.27 -4.73 5.81 7.64 -1.26 -4.95 113.62 113.13 1y4y n SER 31 Ca -0.00 0.82 -0.41 0.00 1.01 0.00 0.00 58.87 60.29 1y4y n SER 31 Cb 0.27 -1.45 -0.04 0.00 -1.01 0.00 0.00 64.21 61.98 1y4y n SER 31 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1y4y s GLU 32 N -2.94 4.61 -0.02 1.43 8.01 -0.67 -4.89 118.70 124.23 1y4y s GLU 32 Ca 0.77 1.57 0.02 0.00 0.01 0.00 0.00 54.97 57.35 1y4y s GLU 32 Cb -0.41 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.06 1y4y s GLU 32 CO 0.45 0.06 -0.07 0.42 0.01 0.00 0.00 175.26 176.14 1y4y s ILE 33 N 0.25 0.58 0.15 -1.63 1.01 -1.26 -1.08 121.20 119.22 1y4y s ILE 33 Ca 0.50 -0.27 0.08 0.00 0.00 0.00 0.00 60.65 60.96 1y4y s ILE 33 Cb -0.26 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 1y4y s ILE 33 CO 0.31 0.18 -0.17 -1.10 0.00 0.00 0.00 174.94 174.16 1y4y s GLN 34 N 0.12 1.21 -0.05 2.79 1.11 0.24 -0.52 119.66 124.56 1y4y s GLN 34 Ca -0.01 -1.36 0.04 0.00 0.01 0.00 0.00 55.36 54.04 1y4y s GLN 34 Cb -0.06 -1.23 0.00 0.00 -1.01 0.00 0.00 33.01 30.71 1y4y s GLN 34 CO -0.00 0.25 -0.17 -1.17 0.01 0.00 0.00 175.29 174.21 1y4y s LEU 35 N -2.59 1.88 -0.03 2.90 2.96 -0.06 -1.81 118.68 121.93 1y4y s LEU 35 Ca 0.14 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.74 1y4y s LEU 35 Cb -0.06 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 1y4y s LEU 35 CO 0.06 0.13 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.33 1y4y s GLU 36 N 0.18 1.72 -0.10 1.98 -6.30 0.52 -0.86 118.70 115.84 1y4y s GLU 36 Ca -0.07 -0.66 -0.04 0.00 -2.50 0.00 0.00 54.97 51.70 1y4y s GLU 36 Cb -0.13 -1.56 0.05 0.00 0.00 0.00 0.00 34.13 32.50 1y4y s GLU 36 CO 0.03 0.32 0.22 -0.47 0.02 0.00 0.00 175.26 175.38 1y4y s TYR 37 N -0.19 -0.30 -1.44 5.30 5.04 -0.65 -1.72 117.35 123.39 1y4y s TYR 37 Ca 0.01 0.76 -0.09 0.00 -2.44 0.00 0.00 57.07 55.32 1y4y s TYR 37 Cb -0.10 -0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.16 1y4y s TYR 37 CO 0.01 -0.27 0.98 -1.71 -1.34 0.00 0.00 175.55 173.22 1y4y n ASN 38 N 4.88 -5.97 0.00 4.32 2.85 -1.26 -2.17 115.26 117.91 1y4y n ASN 38 Ca -0.14 -0.51 0.00 0.00 -0.11 0.00 0.00 54.58 53.82 1y4y n ASN 38 Cb 0.51 -4.75 0.00 0.00 1.24 0.00 0.00 39.78 36.78 1y4y n ASN 38 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1y4y n GLY 39 N -1.81 0.76 3.26 8.20 0.00 -1.26 -5.04 105.19 109.30 1y4y n GLY 39 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1y4y n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y4y s LYS 40 N -0.44 3.16 -0.08 1.61 2.20 -0.92 -5.11 119.74 120.16 1y4y s LYS 40 Ca 0.00 -0.80 0.02 0.00 -0.36 0.00 0.00 55.97 54.83 1y4y s LYS 40 Cb 0.00 -2.48 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1y4y s LYS 40 CO 0.00 0.11 -0.13 0.99 -0.36 0.00 0.00 175.35 175.96 1y4y s THR 41 N 0.54 3.14 0.14 3.43 2.01 -1.26 -1.64 115.64 122.00 1y4y s THR 41 Ca -0.12 -0.67 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1y4y s THR 41 Cb -0.16 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.03 1y4y s THR 41 CO 0.04 0.57 -0.11 0.68 -0.69 0.00 0.00 174.62 175.11 1y4y s VAL 42 N -0.34 1.18 -0.11 3.82 -7.23 -0.04 -4.98 120.40 112.70 1y4y s VAL 42 Ca 0.04 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 57.94 1y4y s VAL 42 Cb -0.13 -1.75 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1y4y s VAL 42 CO 0.02 -0.68 1.66 0.21 -0.31 0.00 0.00 175.10 176.01 1y4y s ASN 43 N -2.99 6.53 0.20 4.85 3.84 -1.26 -0.88 114.94 125.23 1y4y s ASN 43 Ca 0.14 2.03 0.22 0.00 0.21 0.00 0.00 52.86 55.47 1y4y s ASN 43 Cb 0.01 -2.53 0.91 0.00 -0.55 0.00 0.00 41.25 39.08 1y4y s ASN 43 CO 0.01 -1.07 1.68 -0.11 -2.79 0.00 0.00 177.10 174.82 1y4y n LEU 44 N 7.72 0.55 -0.23 3.21 7.94 0.32 -1.47 117.00 135.04 1y4y n LEU 44 Ca 0.18 0.62 0.14 0.00 -1.11 0.00 0.00 56.01 55.85 1y4y n LEU 44 Cb 0.44 -0.53 0.70 0.00 0.53 0.00 0.00 43.42 44.55 1y4y n LEU 44 CO 0.63 -0.45 0.96 0.29 -1.11 0.00 0.00 177.39 177.71 1y4y n LYS 45 N -2.10 1.32 -3.85 1.96 5.02 -1.26 -4.46 118.16 114.80 1y4y n LYS 45 Ca 0.03 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.50 1y4y n LYS 45 Cb 0.24 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 1y4y n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y4y s SER 46 N -1.92 5.09 0.29 4.39 0.15 -0.54 -4.98 113.70 116.17 1y4y s SER 46 Ca 0.41 -1.76 -0.01 0.00 0.70 0.00 0.00 55.95 55.29 1y4y s SER 46 Cb 0.20 -1.77 0.43 0.00 -1.71 0.00 0.00 66.02 63.17 1y4y s SER 46 CO 0.33 -0.43 1.87 -0.29 1.20 0.00 0.00 173.24 175.92 1y4y h ILE 47 N 6.42 1.22 -0.59 6.45 2.10 -1.84 -2.51 117.51 128.76 1y4y h ILE 47 Ca -0.15 -0.69 0.07 0.00 1.08 0.00 0.00 64.86 65.17 1y4y h ILE 47 Cb 1.05 0.52 -0.06 0.00 -1.09 0.00 0.00 36.82 37.24 1y4y h ILE 47 CO 0.62 0.27 0.26 -0.03 -1.08 0.00 0.00 178.15 178.19 1y4y h MET 48 N 0.86 0.46 -0.54 2.19 4.05 -1.94 0.13 114.93 120.13 1y4y h MET 48 Ca 0.20 -0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.50 1y4y h MET 48 Cb 0.19 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 1y4y h MET 48 CO -0.02 0.30 -0.03 0.78 0.23 0.00 0.00 176.91 178.18 1y4y h GLY 49 N 0.47 1.06 0.90 1.39 0.00 -1.79 -0.89 103.07 104.21 1y4y h GLY 49 Ca 0.28 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1y4y h GLY 49 CO -0.24 0.73 -0.07 -2.08 0.00 0.00 0.00 176.54 174.88 1y4y h VAL 50 N 0.86 0.91 -0.39 4.60 2.07 -1.02 -2.44 116.25 120.83 1y4y h VAL 50 Ca 0.15 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1y4y h VAL 50 Cb 0.57 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1y4y h VAL 50 CO 0.03 0.05 0.26 0.24 0.02 0.00 0.00 177.57 178.18 1y4y h MET 51 N -0.31 0.28 0.00 1.57 2.86 -0.60 -1.83 114.93 116.90 1y4y h MET 51 Ca -0.02 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1y4y h MET 51 Cb 0.24 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1y4y h MET 51 CO 0.03 0.19 -0.15 0.66 1.06 0.00 0.00 176.91 178.70 1y4y h SER 52 N 0.29 0.00 0.56 1.22 4.64 -0.69 -2.75 113.55 116.82 1y4y h SER 52 Ca 0.17 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1y4y h SER 52 Cb 0.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1y4y h SER 52 CO -0.04 0.15 -0.15 -0.07 -0.87 0.00 0.00 176.83 175.86 1y4y h LEU 53 N 0.00 0.00 -1.63 5.97 3.38 -1.02 -3.47 115.31 118.54 1y4y h LEU 53 Ca -0.00 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 1y4y h LEU 53 Cb 0.48 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1y4y h LEU 53 CO 0.02 0.15 -0.83 0.61 0.09 0.00 0.00 178.44 178.48 1y4y n GLY 54 N -0.39 -0.32 3.64 0.83 0.00 -1.04 -4.86 105.19 103.04 1y4y n GLY 54 Ca -0.01 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1y4y n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4y s ILE 55 N -3.65 3.67 0.57 -0.61 1.01 -1.26 -4.98 121.20 115.96 1y4y s ILE 55 Ca 0.15 0.77 0.03 0.00 0.00 0.00 0.00 60.65 61.60 1y4y s ILE 55 Cb -0.08 -3.64 0.06 0.00 0.01 0.00 0.00 42.46 38.81 1y4y s ILE 55 CO 0.83 -0.23 0.79 -2.16 0.00 0.00 0.00 174.94 174.18 1y4y s PRO 56 N 4.53 2.36 0.35 2.79 0.04 -1.26 -1.18 135.00 142.63 1y4y s PRO 56 Ca 0.72 -1.04 -0.27 0.00 0.04 0.00 0.00 61.00 60.45 1y4y s PRO 56 Cb -0.27 -2.51 -0.12 0.00 0.04 0.00 0.00 34.50 31.63 1y4y s PRO 56 CO 0.29 -0.83 1.11 1.17 0.04 0.00 0.00 177.00 178.77 1y4y n LYS 57 N -2.37 1.62 -0.65 4.56 4.81 -1.25 -2.48 118.16 122.40 1y4y n LYS 57 Ca 0.11 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1y4y n LYS 57 Cb 0.60 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1y4y n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y4y n GLY 58 N 1.05 1.35 3.76 3.14 0.00 -0.10 -4.98 105.19 109.41 1y4y n GLY 58 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1y4y n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4y s ALA 59 N -3.51 2.86 -0.13 4.61 0.00 -1.03 -4.66 121.76 119.90 1y4y s ALA 59 Ca 0.00 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.81 1y4y s ALA 59 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1y4y s ALA 59 CO 0.00 -0.92 0.50 0.99 0.00 0.00 0.00 175.76 176.33 1y4y s THR 60 N -1.51 5.17 0.18 0.00 2.01 -1.26 -0.66 115.64 119.57 1y4y s THR 60 Ca 0.68 0.98 0.07 0.00 0.31 0.00 0.00 61.69 63.74 1y4y s THR 60 Cb -0.32 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1y4y s THR 60 CO 0.37 0.30 -0.15 0.27 -0.69 0.00 0.00 174.62 174.72 1y4y s ILE 61 N 0.80 1.66 -0.04 1.82 -4.36 -0.37 -4.42 121.20 116.30 1y4y s ILE 61 Ca 0.26 -2.07 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1y4y s ILE 61 Cb -0.15 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1y4y s ILE 61 CO 0.11 -0.52 -0.05 -0.75 0.24 0.00 0.00 174.94 173.96 1y4y s LYS 62 N -3.32 0.87 -0.14 0.37 2.20 -0.70 -0.11 119.74 118.91 1y4y s LYS 62 Ca 0.19 -0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 55.63 1y4y s LYS 62 Cb -0.02 -0.85 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1y4y s LYS 62 CO 0.06 -0.04 -0.08 0.42 -0.36 0.00 0.00 175.35 175.35 1y4y s ILE 63 N 0.75 3.50 0.09 5.43 1.01 -0.17 -0.35 121.20 131.45 1y4y s ILE 63 Ca -0.11 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1y4y s ILE 63 Cb -0.13 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 1y4y s ILE 63 CO 0.01 0.51 -0.24 0.42 0.00 0.00 0.00 174.94 175.64 1y4y s THR 64 N 0.28 1.96 -0.07 2.92 -4.23 -0.75 -1.53 115.64 114.22 1y4y s THR 64 Ca -0.06 -1.52 -0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1y4y s THR 64 Cb -0.15 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1y4y s THR 64 CO 0.04 0.12 0.18 0.00 -0.54 0.00 0.00 174.62 174.42 1y4y s ALA 65 N -0.99 -0.43 -0.11 3.99 0.00 -0.21 -0.59 121.76 123.43 1y4y s ALA 65 Ca 0.10 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1y4y s ALA 65 Cb -0.10 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.75 1y4y s ALA 65 CO 0.04 -0.09 -0.04 -1.21 0.00 0.00 0.00 175.76 174.46 1y4y s GLU 66 N 0.17 1.11 0.00 0.00 8.01 -0.24 0.26 118.70 128.01 1y4y s GLU 66 Ca -0.01 -0.14 0.00 0.00 0.01 0.00 0.00 54.97 54.83 1y4y s GLU 66 Cb -0.02 -1.41 0.00 0.00 -4.31 0.00 0.00 34.13 28.39 1y4y s GLU 66 CO -0.00 -0.32 0.00 0.41 0.01 0.00 0.00 175.26 175.36 1y4y n GLY 67 N 5.02 1.49 0.31 -1.39 0.00 -1.26 -1.67 105.19 107.70 1y4y n GLY 67 Ca -0.10 -1.36 0.06 0.00 0.00 0.00 0.00 46.02 44.61 1y4y n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y4y h ALA 68 N 0.00 1.78 -0.37 4.61 0.00 -1.99 -2.38 119.26 120.91 1y4y h ALA 68 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1y4y h ALA 68 Cb 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.56 1y4y h ALA 68 CO 0.00 0.18 -0.00 -0.40 0.00 0.00 0.00 179.25 179.03 1y4y n ASP 69 N -4.48 2.99 -0.26 0.00 5.68 -1.26 -4.77 116.55 114.44 1y4y n ASP 69 Ca 0.04 -3.53 0.02 0.00 -0.50 0.00 0.00 54.79 50.82 1y4y n ASP 69 Cb 0.12 -0.62 0.15 0.00 -1.14 0.00 0.00 41.12 39.62 1y4y n ASP 69 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y4y h ALA 70 N 1.24 1.05 -0.57 2.12 0.00 -1.77 -1.16 119.26 120.16 1y4y h ALA 70 Ca 0.18 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1y4y h ALA 70 Cb 1.68 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1y4y h ALA 70 CO 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.59 1y4y h ALA 71 N 1.44 0.85 -0.47 0.00 0.00 -1.86 -0.91 119.26 118.31 1y4y h ALA 71 Ca 0.37 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1y4y h ALA 71 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y4y h ALA 71 CO -0.26 0.66 -0.19 0.93 0.00 0.00 0.00 179.25 180.39 1y4y h GLU 72 N 0.92 0.94 -0.25 0.00 3.07 -1.76 -2.04 114.58 115.47 1y4y h GLU 72 Ca 0.16 -0.38 0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1y4y h GLU 72 Cb 0.59 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1y4y h GLU 72 CO 0.04 1.04 0.13 0.00 -1.40 0.00 0.00 179.01 178.82 1y4y h ALA 73 N 0.95 0.30 -0.89 3.43 0.00 -1.03 -1.20 119.26 120.82 1y4y h ALA 73 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1y4y h ALA 73 Cb 0.74 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1y4y h ALA 73 CO 0.06 -0.27 0.59 0.52 0.00 0.00 0.00 179.25 180.15 1y4y h MET 74 N 0.27 1.14 -0.19 0.00 2.86 -0.98 -0.48 114.93 117.54 1y4y h MET 74 Ca 0.10 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.48 1y4y h MET 74 Cb 0.02 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1y4y h MET 74 CO -0.06 0.75 -0.64 0.00 1.06 0.00 0.00 176.91 178.02 1y4y h ALA 75 N 1.46 0.50 -0.42 6.32 0.00 -1.09 -1.44 119.26 124.59 1y4y h ALA 75 Ca 0.34 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1y4y h ALA 75 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1y4y h ALA 75 CO -0.08 0.70 -0.28 0.00 0.00 0.00 0.00 179.25 179.58 1y4y h ALA 76 N 0.76 0.69 -0.53 0.00 0.00 -0.92 -1.85 119.26 117.42 1y4y h ALA 76 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1y4y h ALA 76 Cb 1.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1y4y h ALA 76 CO 0.13 0.67 -0.03 -0.07 0.00 0.00 0.00 179.25 179.95 1y4y h LEU 77 N 0.78 0.94 -0.41 0.00 3.38 -1.04 -0.73 115.31 118.23 1y4y h LEU 77 Ca 0.09 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1y4y h LEU 77 Cb 0.85 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1y4y h LEU 77 CO 0.08 1.03 0.04 0.74 0.09 0.00 0.00 178.44 180.42 1y4y h THR 78 N 0.83 0.74 -0.62 0.22 2.02 -1.09 0.31 112.91 115.32 1y4y h THR 78 Ca 0.15 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.29 1y4y h THR 78 Cb 0.57 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1y4y h THR 78 CO 0.03 0.03 0.40 0.44 0.37 0.00 0.00 175.52 176.79 1y4y h ASP 79 N 0.16 0.67 -0.43 4.18 3.32 -1.05 -1.86 116.42 121.41 1y4y h ASP 79 Ca 0.20 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1y4y h ASP 79 Cb 0.26 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1y4y h ASP 79 CO -0.29 0.48 0.05 0.74 -1.72 0.00 0.00 179.24 178.49 1y4y h THR 80 N 0.80 1.25 -0.42 0.35 2.02 -0.66 -0.03 112.91 116.22 1y4y h THR 80 Ca 0.24 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1y4y h THR 80 Cb -0.04 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1y4y h THR 80 CO -0.08 0.32 0.28 -0.07 0.37 0.00 0.00 175.52 176.35 1y4y h LEU 81 N 0.58 0.48 0.02 2.58 3.38 -0.69 -0.75 115.31 120.90 1y4y h LEU 81 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1y4y h LEU 81 Cb 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1y4y h LEU 81 CO 0.01 0.35 -0.01 0.00 0.09 0.00 0.00 178.44 178.88 1y4y h ALA 82 N 1.74 -0.02 -0.50 1.53 0.00 -1.12 0.20 119.26 121.09 1y4y h ALA 82 Ca 0.16 -0.38 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1y4y h ALA 82 Cb -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1y4y h ALA 82 CO -0.03 -0.10 0.34 0.87 0.00 0.00 0.00 179.25 180.32 1y4y h LYS 83 N -0.85 0.44 -0.12 0.00 1.57 -0.77 -1.02 116.57 115.81 1y4y h LYS 83 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y4y h LYS 83 Cb 0.77 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1y4y h LYS 83 CO 0.00 0.29 0.00 0.39 -0.57 0.00 0.00 179.45 179.56 1y4y n GLU 84 N -4.47 1.60 -2.34 3.15 -0.58 -0.31 -4.92 120.64 112.78 1y4y n GLU 84 Ca 0.07 -0.90 -0.20 0.00 -0.42 0.00 0.00 57.16 55.70 1y4y n GLU 84 Cb 0.24 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.70 1y4y n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y4y n GLY 85 N 1.08 -0.32 0.11 0.62 0.00 -0.39 -4.92 105.19 101.38 1y4y n GLY 85 Ca 0.16 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1y4y n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y4y h LEU 86 N 0.00 0.11 -7.48 0.99 3.38 -0.83 -3.13 115.31 108.35 1y4y h LEU 86 Ca -0.48 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 56.90 1y4y h LEU 86 Cb 1.35 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.97 1y4y h LEU 86 CO 0.57 1.50 0.34 0.00 0.09 0.00 0.00 178.44 180.95 1y4y s ALA 87 N -2.39 -1.54 0.00 1.53 0.00 -0.92 0.19 121.76 118.63 1y4y s ALA 87 Ca -0.25 0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.95 1y4y s ALA 87 Cb 0.05 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1y4y s ALA 87 CO 0.65 -0.91 0.00 0.39 0.00 0.00 0.00 175.76 175.89