#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 0.57 -0.25 0.00 4.04 -1.26 -1.03 118.70 120.77 1y4y s GLU 3 Ca 0.00 -0.87 -0.18 0.00 0.04 0.00 0.00 54.97 53.96 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 -0.13 0.64 0.21 -1.84 0.00 0.00 175.26 174.14 1y4y s LYS 4 N -2.88 0.69 -0.10 -4.83 2.20 -0.73 -5.01 119.74 109.08 1y4y s LYS 4 Ca -0.03 1.03 -0.05 0.00 -0.36 0.00 0.00 55.97 56.56 1y4y s LYS 4 Cb 0.00 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1y4y s LYS 4 CO -0.06 -0.12 0.10 0.99 -0.36 0.00 0.00 175.35 175.90 1y4y s THR 5 N 1.03 5.14 0.12 3.43 2.01 -1.26 -1.22 115.64 124.89 1y4y s THR 5 Ca -0.05 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.02 1y4y s THR 5 Cb -0.05 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1y4y s THR 5 CO -0.10 0.60 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.98 1y4y s PHE 6 N -1.00 1.07 -0.15 4.92 0.40 0.02 -4.99 117.98 118.24 1y4y s PHE 6 Ca 0.15 -0.80 -0.03 0.00 -0.60 0.00 0.00 56.93 55.65 1y4y s PHE 6 Cb -0.12 -0.58 -0.02 0.00 0.51 0.00 0.00 43.02 42.81 1y4y s PHE 6 CO 0.04 -0.03 -0.05 0.21 0.70 0.00 0.00 175.22 176.09 1y4y s LYS 7 N -3.57 3.60 -0.26 0.44 2.47 -1.26 -1.16 119.74 120.00 1y4y s LYS 7 Ca 0.12 -0.56 -0.29 0.00 -1.56 0.00 0.00 55.97 53.69 1y4y s LYS 7 Cb 0.02 -2.87 0.01 0.00 -1.46 0.00 0.00 37.83 33.54 1y4y s LYS 7 CO -0.02 0.21 1.09 0.08 0.16 0.00 0.00 175.35 176.88 1y4y s VAL 8 N 0.42 4.54 -0.61 4.02 1.01 0.10 -2.50 120.40 127.37 1y4y s VAL 8 Ca -0.05 1.83 0.18 0.00 0.00 0.00 0.00 61.98 63.93 1y4y s VAL 8 Cb -0.15 -4.30 -0.21 0.00 0.00 0.00 0.00 36.38 31.72 1y4y s VAL 8 CO 0.03 -0.30 0.65 1.33 0.00 0.00 0.00 175.10 176.82 1y4y n VAL 9 N 5.57 0.00 -1.99 2.92 0.24 0.13 -1.32 118.33 123.89 1y4y n VAL 9 Ca 0.12 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.34 61.84 1y4y n VAL 9 Cb 0.46 0.76 -0.02 0.00 -1.47 0.00 0.00 33.84 33.57 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 -3.04 6.63 0.40 -1.34 0.15 -1.13 -4.92 113.70 110.45 1y4y s SER 10 Ca 0.03 2.69 0.06 0.00 0.70 0.00 0.00 55.95 59.44 1y4y s SER 10 Cb 0.13 -2.62 0.82 0.00 -1.71 0.00 0.00 66.02 62.63 1y4y s SER 10 CO 0.73 -0.72 2.05 0.44 1.20 0.00 0.00 173.24 176.94 1y4y h ASP 11 N 5.04 0.52 -0.57 5.45 3.45 -1.94 -2.74 116.42 125.63 1y4y h ASP 11 Ca -0.46 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1y4y h ASP 11 Cb 1.22 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1y4y h ASP 11 CO 0.78 0.38 0.00 -1.54 -1.57 0.00 0.00 179.24 177.29 1y4y n SER 12 N -4.47 4.89 0.00 6.45 3.41 -1.26 -4.47 113.62 118.18 1y4y n SER 12 Ca 0.04 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 56.03 1y4y n SER 12 Cb 0.06 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 0.86 2.13 3.04 5.00 0.00 -1.03 -4.23 105.19 110.96 1y4y n GLY 13 Ca 0.25 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 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 2.99 0.27 -0.61 1.01 -0.20 -4.73 121.20 119.93 1y4y s ILE 14 Ca 0.00 -2.74 -0.06 0.00 0.00 0.00 0.00 60.65 57.85 1y4y s ILE 14 Cb 0.00 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1y4y s ILE 14 CO 0.00 -0.76 0.39 -1.00 0.00 0.00 0.00 174.94 173.57 1y4y s HIS 15 N 0.34 0.85 0.00 3.97 3.76 -1.26 -4.35 115.29 118.60 1y4y s HIS 15 Ca 0.14 -1.11 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 1y4y s HIS 15 Cb -0.22 -0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.35 1y4y s HIS 15 CO -0.04 -0.95 0.00 0.00 -0.85 0.00 0.00 174.74 172.90 1y4y n ALA 16 N -0.43 0.00 0.07 -1.40 0.00 -1.26 -2.51 120.51 114.98 1y4y n ALA 16 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1y4y n ALA 16 Cb 0.63 0.00 -0.07 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 -0.12 -0.47 0.00 2.43 -2.00 -1.60 114.38 112.63 1y4y h ARG 17 Ca 0.00 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1y4y h ARG 17 Cb 0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1y4y h ARG 17 CO 0.00 -0.08 0.32 -1.35 -1.51 0.00 0.00 179.97 177.35 1y4y h PRO 18 N -0.13 0.34 -0.40 0.20 0.11 -1.95 0.05 132.00 130.22 1y4y h PRO 18 Ca 0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 1y4y h PRO 18 Cb 0.12 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 1y4y h PRO 18 CO -0.02 0.22 -0.14 0.00 -0.21 0.00 0.00 178.00 177.85 1y4y h ALA 19 N 1.75 0.56 -0.79 -0.75 0.00 -1.13 -1.71 119.26 117.19 1y4y h ALA 19 Ca 0.21 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 54.85 1y4y h ALA 19 Cb 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1y4y h ALA 19 CO -0.05 0.48 0.47 1.15 0.00 0.00 0.00 179.25 181.29 1y4y h THR 20 N 0.63 0.97 -0.34 0.00 2.02 -0.17 -1.19 112.91 114.83 1y4y h THR 20 Ca 0.10 -0.28 -0.15 0.00 0.77 0.00 0.00 66.41 66.85 1y4y h THR 20 Cb 0.69 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1y4y h THR 20 CO 0.05 0.15 -0.38 0.40 0.37 0.00 0.00 175.52 176.11 1y4y h ILE 21 N 0.82 1.28 -0.08 3.11 2.04 -0.87 -1.39 117.51 122.42 1y4y h ILE 21 Ca 0.36 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1y4y h ILE 21 Cb 0.25 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1y4y h ILE 21 CO -0.21 0.51 0.05 0.25 0.00 0.00 0.00 178.15 178.76 1y4y h LEU 22 N 0.66 0.09 -0.75 1.44 5.85 -0.98 -1.21 115.31 120.40 1y4y h LEU 22 Ca 0.06 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.84 1y4y h LEU 22 Cb 0.94 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 1y4y h LEU 22 CO 0.09 0.07 0.44 0.58 -0.34 0.00 0.00 178.44 179.28 1y4y h VAL 23 N 0.11 1.00 -0.31 1.05 2.07 -1.01 -1.41 116.25 117.75 1y4y h VAL 23 Ca 0.03 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1y4y h VAL 23 Cb -0.01 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 1y4y h VAL 23 CO -0.01 0.15 -0.15 1.56 0.02 0.00 0.00 177.57 179.14 1y4y h GLN 24 N 0.81 0.54 -0.14 1.57 4.20 -0.87 -1.46 115.11 119.75 1y4y h GLN 24 Ca 0.33 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1y4y h GLN 24 Cb 0.19 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1y4y h GLN 24 CO -0.18 0.68 0.06 1.15 -0.67 0.00 0.00 178.83 179.87 1y4y h THR 25 N 0.49 1.15 -0.91 -0.54 2.02 -0.49 -2.82 112.91 111.82 1y4y h THR 25 Ca 0.09 -0.45 0.09 0.00 0.77 0.00 0.00 66.41 66.90 1y4y h THR 25 Cb 0.55 1.19 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 1y4y h THR 25 CO 0.04 0.14 0.59 0.00 0.37 0.00 0.00 175.52 176.65 1y4y h ALA 26 N 0.90 1.58 0.00 6.16 0.00 -0.94 -2.85 119.26 124.11 1y4y h ALA 26 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y4y h ALA 26 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1y4y h ALA 26 CO -0.00 0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.15 1y4y h SER 27 N 0.95 0.00 0.67 0.00 4.64 -1.01 -2.22 113.55 116.58 1y4y h SER 27 Ca 0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.72 1y4y h SER 27 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1y4y h SER 27 CO -0.18 0.00 -0.08 0.11 -0.87 0.00 0.00 176.83 175.81 1y4y h LYS 28 N 0.00 0.00 -5.88 4.77 1.57 -1.45 -3.46 116.57 112.13 1y4y h LYS 28 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1y4y h LYS 28 Cb 0.44 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.70 1y4y h LYS 28 CO 0.00 0.08 -0.48 -0.06 -0.57 0.00 0.00 179.45 178.43 1y4y s PHE 29 N -3.88 3.54 0.37 -1.35 0.08 -0.84 -5.00 117.98 110.90 1y4y s PHE 29 Ca -0.01 0.34 0.11 0.00 0.12 0.00 0.00 56.93 57.49 1y4y s PHE 29 Cb 0.11 -1.82 0.73 0.00 -0.57 0.00 0.00 43.02 41.47 1y4y s PHE 29 CO 0.56 0.61 1.86 -0.91 -0.10 0.00 0.00 175.22 177.23 1y4y h ASN 30 N 3.46 0.12 -3.82 1.36 4.21 -1.88 -3.45 115.58 115.58 1y4y h ASN 30 Ca -0.47 -0.03 -0.56 0.00 1.21 0.00 0.00 56.30 56.45 1y4y h ASN 30 Cb 1.18 -0.03 0.14 0.00 -1.12 0.00 0.00 38.32 38.49 1y4y h ASN 30 CO 0.72 0.40 0.48 -1.20 -1.29 0.00 0.00 177.43 176.53 1y4y n SER 31 N -4.17 2.25 -4.73 5.81 7.64 -1.26 -4.95 113.62 114.21 1y4y n SER 31 Ca -0.02 0.97 -0.41 0.00 1.01 0.00 0.00 58.87 60.42 1y4y n SER 31 Cb 0.35 -1.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.00 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 -2.71 4.52 -0.02 1.43 8.01 -0.43 -4.88 118.70 124.62 1y4y s GLU 32 Ca 0.70 1.78 0.02 0.00 0.01 0.00 0.00 54.97 57.48 1y4y s GLU 32 Cb -0.44 -3.28 0.00 0.00 -4.31 0.00 0.00 34.13 26.10 1y4y s GLU 32 CO 0.51 -0.05 -0.06 0.42 0.01 0.00 0.00 175.26 176.08 1y4y s ILE 33 N 0.12 0.56 0.18 -1.63 1.01 -1.26 -0.80 121.20 119.37 1y4y s ILE 33 Ca 0.53 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1y4y s ILE 33 Cb -0.30 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1y4y s ILE 33 CO 0.34 0.18 -0.16 -1.10 0.00 0.00 0.00 174.94 174.21 1y4y s GLN 34 N 0.16 1.25 -0.05 2.79 1.11 0.29 -0.84 119.66 124.38 1y4y s GLN 34 Ca -0.02 -1.46 0.04 0.00 0.01 0.00 0.00 55.36 53.93 1y4y s GLN 34 Cb -0.06 -1.14 -0.00 0.00 -1.01 0.00 0.00 33.01 30.79 1y4y s GLN 34 CO -0.00 0.21 -0.17 -1.17 0.01 0.00 0.00 175.29 174.17 1y4y s LEU 35 N -2.94 1.91 -0.05 2.90 2.96 -0.27 -1.81 118.68 121.38 1y4y s LEU 35 Ca 0.18 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 53.77 1y4y s LEU 35 Cb -0.03 -0.99 -0.00 0.00 0.50 0.00 0.00 46.19 45.67 1y4y s LEU 35 CO 0.06 0.15 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.37 1y4y s GLU 36 N 0.09 1.79 -0.09 1.98 -6.30 0.48 -0.39 118.70 116.27 1y4y s GLU 36 Ca -0.05 -0.59 -0.03 0.00 -2.50 0.00 0.00 54.97 51.79 1y4y s GLU 36 Cb -0.12 -1.55 0.05 0.00 0.00 0.00 0.00 34.13 32.51 1y4y s GLU 36 CO 0.03 0.22 0.17 -0.47 0.02 0.00 0.00 175.26 175.23 1y4y s TYR 37 N 0.10 -0.20 -1.40 5.30 5.04 -0.13 -1.91 117.35 124.14 1y4y s TYR 37 Ca -0.05 0.64 -0.10 0.00 -2.44 0.00 0.00 57.07 55.12 1y4y s TYR 37 Cb -0.12 -0.23 0.02 0.00 0.35 0.00 0.00 41.96 41.98 1y4y s TYR 37 CO 0.02 -0.27 1.13 0.09 -1.34 0.00 0.00 175.55 175.18 1y4y n ASN 38 N 5.28 -6.13 0.00 4.32 5.03 -1.26 -2.34 115.26 120.16 1y4y n ASN 38 Ca -0.06 -0.57 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1y4y n ASN 38 Cb 0.50 -4.83 0.00 0.00 -1.02 0.00 0.00 39.78 34.42 1y4y n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y4y n GLY 39 N -1.94 0.72 3.37 7.41 0.00 -1.26 -5.04 105.19 108.44 1y4y n GLY 39 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.35 3.15 -0.10 1.61 2.20 -0.99 -5.12 119.74 120.15 1y4y s LYS 40 Ca 0.00 -0.72 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1y4y s LYS 40 Cb 0.00 -2.53 -0.01 0.00 -1.51 0.00 0.00 37.83 33.78 1y4y s LYS 40 CO 0.00 0.29 -0.17 0.99 -0.36 0.00 0.00 175.35 176.10 1y4y s THR 41 N 0.13 2.72 0.24 3.43 2.01 -1.26 -0.96 115.64 121.95 1y4y s THR 41 Ca -0.07 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.19 1y4y s THR 41 Cb -0.15 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.22 1y4y s THR 41 CO 0.05 0.55 -0.09 0.68 -0.69 0.00 0.00 174.62 175.12 1y4y s VAL 42 N 0.04 1.59 -0.12 3.82 -7.23 0.48 -4.97 120.40 114.01 1y4y s VAL 42 Ca -0.07 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 57.67 1y4y s VAL 42 Cb -0.15 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1y4y s VAL 42 CO 0.05 -0.44 1.64 0.21 -0.31 0.00 0.00 175.10 176.25 1y4y s ASN 43 N -3.36 6.55 0.14 4.85 3.84 -1.26 -1.12 114.94 124.57 1y4y s ASN 43 Ca 0.26 2.00 0.21 0.00 0.21 0.00 0.00 52.86 55.54 1y4y s ASN 43 Cb 0.02 -2.53 0.86 0.00 -0.55 0.00 0.00 41.25 39.05 1y4y s ASN 43 CO 0.09 -1.06 1.65 -0.11 -2.79 0.00 0.00 177.10 174.88 1y4y n LEU 44 N 7.69 0.38 -0.30 3.21 7.94 -0.02 -1.47 117.00 134.44 1y4y n LEU 44 Ca 0.18 0.58 0.15 0.00 -1.11 0.00 0.00 56.01 55.81 1y4y n LEU 44 Cb 0.44 -0.51 0.68 0.00 0.53 0.00 0.00 43.42 44.55 1y4y n LEU 44 CO 0.63 -0.35 0.96 0.29 -1.11 0.00 0.00 177.39 177.80 1y4y n LYS 45 N -1.91 1.41 -3.88 1.96 5.02 -1.26 -4.44 118.16 115.07 1y4y n LYS 45 Ca 0.03 -0.60 -0.35 0.00 -2.02 0.00 0.00 58.31 55.38 1y4y n LYS 45 Cb 0.24 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.98 4.99 0.26 4.39 0.15 -0.54 -4.99 113.70 115.98 1y4y s SER 46 Ca 0.41 -1.59 -0.01 0.00 0.70 0.00 0.00 55.95 55.46 1y4y s SER 46 Cb 0.21 -1.74 0.33 0.00 -1.71 0.00 0.00 66.02 63.11 1y4y s SER 46 CO 0.34 -0.36 1.71 -0.29 1.20 0.00 0.00 173.24 175.85 1y4y h ILE 47 N 6.45 1.26 -0.51 6.45 2.10 -1.83 -2.64 117.51 128.79 1y4y h ILE 47 Ca -0.17 -1.19 0.10 0.00 1.08 0.00 0.00 64.86 64.68 1y4y h ILE 47 Cb 1.05 1.14 -0.08 0.00 -1.09 0.00 0.00 36.82 37.85 1y4y h ILE 47 CO 0.58 0.39 0.04 0.24 -1.08 0.00 0.00 178.15 178.32 1y4y h MET 48 N 0.60 0.15 -0.52 2.19 2.86 -1.94 -0.10 114.93 118.17 1y4y h MET 48 Ca 0.10 -0.01 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 1y4y h MET 48 Cb 0.61 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1y4y h MET 48 CO 0.04 0.10 -0.11 0.78 1.06 0.00 0.00 176.91 178.78 1y4y h GLY 49 N 0.16 1.05 1.00 8.32 0.00 -1.82 -0.36 103.07 111.41 1y4y h GLY 49 Ca 0.26 -0.83 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 1y4y h GLY 49 CO -0.39 0.76 -0.15 -2.08 0.00 0.00 0.00 176.54 174.68 1y4y h VAL 50 N 0.86 0.70 -0.76 4.60 2.07 -1.10 -2.49 116.25 120.13 1y4y h VAL 50 Ca 0.14 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.70 1y4y h VAL 50 Cb 0.66 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1y4y h VAL 50 CO 0.05 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.38 1y4y h MET 51 N -0.42 0.78 0.00 1.57 2.86 -0.91 -1.99 114.93 116.82 1y4y h MET 51 Ca -0.04 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1y4y h MET 51 Cb 0.32 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1y4y h MET 51 CO 0.07 0.52 -0.01 0.66 1.06 0.00 0.00 176.91 179.21 1y4y h SER 52 N 0.81 0.00 0.35 1.22 4.64 -0.64 -2.28 113.55 117.65 1y4y h SER 52 Ca 0.33 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1y4y h SER 52 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1y4y h SER 52 CO -0.11 0.01 -0.12 -0.07 -0.87 0.00 0.00 176.83 175.67 1y4y h LEU 53 N 0.00 0.00 -1.69 5.97 3.38 -0.95 -3.47 115.31 118.54 1y4y h LEU 53 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1y4y h LEU 53 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y4y h LEU 53 CO 0.00 0.12 -0.84 0.61 0.09 0.00 0.00 178.44 178.41 1y4y n GLY 54 N -0.73 -0.30 3.64 0.83 0.00 -0.86 -4.85 105.19 102.93 1y4y n GLY 54 Ca -0.02 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.72 3.75 0.53 -0.61 1.01 -1.26 -4.98 121.20 115.92 1y4y s ILE 55 Ca 0.13 0.86 0.04 0.00 0.00 0.00 0.00 60.65 61.68 1y4y s ILE 55 Cb -0.07 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1y4y s ILE 55 CO 0.85 -0.24 0.74 -2.16 0.00 0.00 0.00 174.94 174.13 1y4y s PRO 56 N 4.41 2.50 0.32 2.79 0.04 -1.26 -1.03 135.00 142.77 1y4y s PRO 56 Ca 0.70 -1.07 -0.28 0.00 0.04 0.00 0.00 61.00 60.38 1y4y s PRO 56 Cb -0.26 -2.58 -0.13 0.00 0.04 0.00 0.00 34.50 31.58 1y4y s PRO 56 CO 0.27 -0.68 1.20 1.17 0.04 0.00 0.00 177.00 179.01 1y4y n LYS 57 N -2.23 1.86 -0.09 4.56 4.81 -1.26 -2.45 118.16 123.36 1y4y n LYS 57 Ca 0.10 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.19 1y4y n LYS 57 Cb 0.60 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.48 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 0.97 1.51 3.76 3.14 0.00 -0.43 -4.98 105.19 109.17 1y4y n GLY 58 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.65 2.93 -0.08 4.61 0.00 -1.03 -4.65 121.76 120.89 1y4y s ALA 59 Ca 0.00 1.04 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 1y4y s ALA 59 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1y4y s ALA 59 CO 0.00 -0.85 0.61 0.99 0.00 0.00 0.00 175.76 176.51 1y4y s THR 60 N -1.48 5.08 0.18 0.00 2.01 -1.26 -0.72 115.64 119.44 1y4y s THR 60 Ca 0.66 1.25 0.08 0.00 0.31 0.00 0.00 61.69 64.00 1y4y s THR 60 Cb -0.32 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.20 1y4y s THR 60 CO 0.38 0.30 -0.18 0.27 -0.69 0.00 0.00 174.62 174.70 1y4y s ILE 61 N 0.63 1.83 -0.06 1.82 -4.36 -0.31 -4.47 121.20 116.27 1y4y s ILE 61 Ca 0.33 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1y4y s ILE 61 Cb -0.17 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1y4y s ILE 61 CO 0.15 -0.37 -0.13 -0.54 0.24 0.00 0.00 174.94 174.29 1y4y s LYS 62 N -2.96 1.72 -0.15 0.37 1.02 -0.80 -0.80 119.74 118.14 1y4y s LYS 62 Ca 0.17 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 1y4y s LYS 62 Cb -0.05 -1.43 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 1y4y s LYS 62 CO 0.07 0.07 -0.05 0.42 -0.92 0.00 0.00 175.35 174.95 1y4y s ILE 63 N 0.52 3.82 0.13 2.17 1.01 -0.36 -0.38 121.20 128.12 1y4y s ILE 63 Ca -0.12 -0.38 0.11 0.00 0.00 0.00 0.00 60.65 60.25 1y4y s ILE 63 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 1y4y s ILE 63 CO 0.04 0.50 -0.26 0.42 0.00 0.00 0.00 174.94 175.64 1y4y s THR 64 N 0.32 2.21 -0.08 2.92 -4.23 -0.75 -1.78 115.64 114.25 1y4y s THR 64 Ca -0.04 -1.77 -0.06 0.00 -1.18 0.00 0.00 61.69 58.64 1y4y s THR 64 Cb -0.14 -1.97 0.03 0.00 1.34 0.00 0.00 72.50 71.76 1y4y s THR 64 CO 0.03 0.05 0.20 0.00 -0.54 0.00 0.00 174.62 174.36 1y4y s ALA 65 N -1.14 -0.47 -0.09 3.99 0.00 -0.20 -0.54 121.76 123.30 1y4y s ALA 65 Ca 0.14 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.78 1y4y s ALA 65 Cb -0.10 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.63 1y4y s ALA 65 CO 0.06 -0.13 -0.10 -1.21 0.00 0.00 0.00 175.76 174.38 1y4y s GLU 66 N 0.52 1.69 0.00 0.00 8.01 0.02 0.49 118.70 129.42 1y4y s GLU 66 Ca -0.03 -0.36 0.00 0.00 0.01 0.00 0.00 54.97 54.59 1y4y s GLU 66 Cb -0.05 -1.56 0.00 0.00 -4.31 0.00 0.00 34.13 28.21 1y4y s GLU 66 CO -0.03 -0.13 0.00 0.41 0.01 0.00 0.00 175.26 175.53 1y4y n GLY 67 N 4.40 2.20 0.23 -1.39 0.00 -1.26 -1.32 105.19 108.05 1y4y n GLY 67 Ca -0.18 -1.50 0.06 0.00 0.00 0.00 0.00 46.02 44.40 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 1.62 -0.36 4.61 0.00 -1.99 -2.44 119.26 120.70 1y4y h ALA 68 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1y4y h ALA 68 Cb 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 1y4y h ALA 68 CO 0.00 0.22 -0.07 -0.40 0.00 0.00 0.00 179.25 179.00 1y4y n ASP 69 N -4.21 2.50 -0.32 0.00 5.68 -1.26 -4.77 116.55 114.17 1y4y n ASP 69 Ca -0.02 -3.77 -0.01 0.00 -0.50 0.00 0.00 54.79 50.49 1y4y n ASP 69 Cb 0.25 -0.64 0.12 0.00 -1.14 0.00 0.00 41.12 39.71 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 1.02 1.18 -0.28 2.12 0.00 -1.78 -1.12 119.26 120.40 1y4y h ALA 70 Ca 0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1y4y h ALA 70 Cb 1.68 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1y4y h ALA 70 CO 0.40 0.39 -0.47 0.00 0.00 0.00 0.00 179.25 179.57 1y4y h ALA 71 N 1.38 0.65 -0.50 0.00 0.00 -1.86 -1.40 119.26 117.54 1y4y h ALA 71 Ca 0.36 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1y4y h ALA 71 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1y4y h ALA 71 CO -0.13 0.67 -0.11 0.93 0.00 0.00 0.00 179.25 180.61 1y4y h GLU 72 N 0.58 0.96 -0.54 0.00 3.07 -1.80 -1.74 114.58 115.12 1y4y h GLU 72 Ca 0.03 -0.36 0.01 0.00 -0.50 0.00 0.00 59.36 58.54 1y4y h GLU 72 Cb 1.03 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.85 1y4y h GLU 72 CO 0.10 1.03 0.34 0.00 -1.40 0.00 0.00 179.01 179.08 1y4y h ALA 73 N 0.90 0.68 -0.79 3.43 0.00 -0.97 -1.03 119.26 121.48 1y4y h ALA 73 Ca 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1y4y h ALA 73 Cb 0.67 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1y4y h ALA 73 CO 0.05 0.09 0.42 0.52 0.00 0.00 0.00 179.25 180.33 1y4y h MET 74 N 0.70 1.12 -0.32 0.00 2.86 -1.01 0.56 114.93 118.85 1y4y h MET 74 Ca 0.20 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.54 1y4y h MET 74 Cb -0.05 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.39 1y4y h MET 74 CO -0.06 0.84 -0.44 0.00 1.06 0.00 0.00 176.91 178.31 1y4y h ALA 75 N 1.22 0.62 -0.12 6.32 0.00 -1.09 -0.86 119.26 125.35 1y4y h ALA 75 Ca 0.28 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1y4y h ALA 75 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1y4y h ALA 75 CO -0.04 0.67 -0.48 0.00 0.00 0.00 0.00 179.25 179.40 1y4y h ALA 76 N 0.85 0.95 -0.25 0.00 0.00 -0.80 -1.77 119.26 118.24 1y4y h ALA 76 Ca 0.04 -0.47 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1y4y h ALA 76 Cb 1.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1y4y h ALA 76 CO 0.10 0.65 -0.54 -0.07 0.00 0.00 0.00 179.25 179.39 1y4y h LEU 77 N 0.25 0.91 -0.35 0.00 3.38 -0.79 -1.26 115.31 117.45 1y4y h LEU 77 Ca 0.01 -0.55 0.06 0.00 0.09 0.00 0.00 57.88 57.49 1y4y h LEU 77 Cb 0.95 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1y4y h LEU 77 CO 0.08 1.29 0.04 0.74 0.09 0.00 0.00 178.44 180.68 1y4y h THR 78 N 0.56 0.79 -0.40 0.22 2.02 -1.01 -0.16 112.91 114.93 1y4y h THR 78 Ca 0.00 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.18 1y4y h THR 78 Cb 1.15 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1y4y h THR 78 CO 0.12 0.03 0.15 0.44 0.37 0.00 0.00 175.52 176.63 1y4y h ASP 79 N 0.15 0.17 -0.41 4.18 5.19 -1.20 -2.18 116.42 122.32 1y4y h ASP 79 Ca 0.17 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1y4y h ASP 79 Cb 0.21 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1y4y h ASP 79 CO -0.24 0.13 0.19 0.74 -3.12 0.00 0.00 179.24 176.94 1y4y h THR 80 N 0.32 1.18 -0.48 0.35 2.02 -0.77 -1.04 112.91 114.49 1y4y h THR 80 Ca 0.19 -0.53 0.06 0.00 0.77 0.00 0.00 66.41 66.89 1y4y h THR 80 Cb 0.16 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1y4y h THR 80 CO -0.18 0.20 0.32 -0.07 0.37 0.00 0.00 175.52 176.16 1y4y h LEU 81 N 0.52 0.36 0.09 2.58 3.38 -0.89 -1.46 115.31 119.90 1y4y h LEU 81 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1y4y h LEU 81 Cb 0.14 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y4y h LEU 81 CO -0.02 0.24 -0.04 0.00 0.09 0.00 0.00 178.44 178.71 1y4y h ALA 82 N 1.74 -0.12 -0.66 1.53 0.00 -1.05 0.17 119.26 120.87 1y4y h ALA 82 Ca 0.21 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1y4y h ALA 82 Cb 0.30 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1y4y h ALA 82 CO -0.05 -0.19 0.44 0.87 0.00 0.00 0.00 179.25 180.31 1y4y h LYS 83 N -0.87 0.60 -0.08 0.00 1.57 -1.03 -0.81 116.57 115.94 1y4y h LYS 83 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1y4y h LYS 83 Cb 0.58 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1y4y h LYS 83 CO 0.02 0.40 0.00 0.39 -0.57 0.00 0.00 179.45 179.69 1y4y n GLU 84 N -4.48 1.44 -1.88 3.15 -0.58 -0.56 -4.91 120.64 112.83 1y4y n GLU 84 Ca 0.10 -0.66 -0.15 0.00 -0.42 0.00 0.00 57.16 56.03 1y4y n GLU 84 Cb 0.27 -1.38 -0.03 0.00 -0.57 0.00 0.00 31.44 29.72 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 1.02 0.59 0.12 0.62 0.00 -0.31 -4.92 105.19 102.30 1y4y n GLY 85 Ca 0.16 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.67 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 0.17 -7.55 0.99 3.38 -0.89 -3.10 115.31 108.32 1y4y h LEU 86 Ca -0.33 -0.70 0.14 0.00 0.09 0.00 0.00 57.88 57.08 1y4y h LEU 86 Cb 1.12 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1y4y h LEU 86 CO 0.42 1.59 0.43 0.00 0.09 0.00 0.00 178.44 180.98 1y4y s ALA 87 N -2.43 -1.62 0.00 1.53 0.00 -0.89 0.20 121.76 118.56 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 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1y4y s ALA 87 CO 0.67 -0.96 0.00 -0.85 0.00 0.00 0.00 175.76 174.62