#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y51 s GLU 3 N 0.00 0.37 -0.22 0.00 -6.30 -1.26 -0.59 118.70 110.70 1y51 s GLU 3 Ca 0.00 0.49 -0.18 0.00 -2.50 0.00 0.00 54.97 52.78 1y51 s GLU 3 Cb 0.00 0.14 0.06 0.00 0.00 0.00 0.00 34.13 34.33 1y51 s GLU 3 CO 0.00 -0.07 0.57 0.21 0.02 0.00 0.00 175.26 175.99 1y51 s LYS 4 N 0.38 0.64 0.09 4.30 2.20 -0.34 -5.02 119.74 121.99 1y51 s LYS 4 Ca -0.02 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.45 1y51 s LYS 4 Cb -0.04 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 1y51 s LYS 4 CO -0.02 -0.10 0.22 0.95 -0.36 0.00 0.00 175.35 176.05 1y51 s THR 5 N 0.61 5.31 0.05 3.43 -4.23 -1.26 -0.92 115.64 118.64 1y51 s THR 5 Ca -0.02 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 1y51 s THR 5 Cb -0.05 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 1y51 s THR 5 CO -0.04 0.07 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.68 1y51 s PHE 6 N -1.58 0.72 -0.19 3.99 0.40 -0.46 -5.00 117.98 115.86 1y51 s PHE 6 Ca 0.35 -0.60 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 1y51 s PHE 6 Cb -0.12 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1y51 s PHE 6 CO 0.28 -0.10 0.07 0.21 0.70 0.00 0.00 175.22 176.37 1y51 s LYS 7 N -2.11 3.98 -0.25 0.44 2.47 0.17 -1.25 119.74 123.21 1y51 s LYS 7 Ca -0.05 -0.34 -0.29 0.00 -1.56 0.00 0.00 55.97 53.73 1y51 s LYS 7 Cb -0.06 -3.24 0.00 0.00 -1.46 0.00 0.00 37.83 33.07 1y51 s LYS 7 CO -0.01 0.26 1.16 0.08 0.16 0.00 0.00 175.35 177.01 1y51 s VAL 8 N 0.41 4.42 -1.16 4.02 1.01 0.27 -1.62 120.40 127.74 1y51 s VAL 8 Ca 0.03 1.68 0.15 0.00 0.00 0.00 0.00 61.98 63.85 1y51 s VAL 8 Cb -0.12 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1y51 s VAL 8 CO 0.00 -0.29 0.76 1.33 0.00 0.00 0.00 175.10 176.89 1y51 n VAL 9 N 5.63 0.00 -2.40 2.92 0.24 0.14 -1.38 118.33 123.49 1y51 n VAL 9 Ca 0.13 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 1y51 n VAL 9 Cb 0.46 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 33.92 1y51 n VAL 9 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1y51 s SER 10 N -1.99 7.06 0.51 -1.34 0.15 -1.18 -4.91 113.70 112.00 1y51 s SER 10 Ca 0.10 2.07 0.22 0.00 0.70 0.00 0.00 55.95 59.04 1y51 s SER 10 Cb 0.12 -2.58 1.31 0.00 -1.71 0.00 0.00 66.02 63.15 1y51 s SER 10 CO 0.45 -0.47 1.99 0.44 1.20 0.00 0.00 173.24 176.86 1y51 h ASP 11 N 6.58 0.09 -0.70 5.45 3.45 -1.94 -1.60 116.42 127.75 1y51 h ASP 11 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 1y51 h ASP 11 Cb 1.21 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1y51 h ASP 11 CO 0.81 0.05 0.00 -1.54 -1.57 0.00 0.00 179.24 176.99 1y51 n SER 12 N -4.41 4.30 0.00 6.45 3.41 -1.26 -4.60 113.62 117.51 1y51 n SER 12 Ca 0.10 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.51 1y51 n SER 12 Cb 0.54 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1y51 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y51 n GLY 13 N 1.44 0.43 3.12 5.00 0.00 -0.60 -4.49 105.19 110.09 1y51 n GLY 13 Ca 0.25 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1y51 n GLY 13 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y51 s ILE 14 N 0.00 2.99 0.28 -0.61 1.01 -0.39 -4.71 121.20 119.76 1y51 s ILE 14 Ca 0.00 -1.89 -0.08 0.00 0.00 0.00 0.00 60.65 58.67 1y51 s ILE 14 Cb 0.00 -2.97 -0.00 0.00 0.01 0.00 0.00 42.46 39.50 1y51 s ILE 14 CO 0.00 -0.48 0.46 -1.00 0.00 0.00 0.00 174.94 173.92 1y51 s HIS 15 N 1.13 0.66 0.00 3.97 3.76 -1.26 -4.30 115.29 119.25 1y51 s HIS 15 Ca 0.04 -0.98 0.00 0.00 -0.15 0.00 0.00 55.06 53.97 1y51 s HIS 15 Cb -0.21 0.06 0.00 0.00 1.11 0.00 0.00 32.58 33.54 1y51 s HIS 15 CO -0.04 -1.04 0.00 0.00 -0.85 0.00 0.00 174.74 172.81 1y51 n ALA 16 N -0.44 0.00 -0.05 -1.40 0.00 -1.26 -2.03 120.51 115.32 1y51 n ALA 16 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1y51 n ALA 16 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.01 1y51 n ALA 16 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1y51 h ARG 17 N 0.00 0.85 -0.86 0.00 2.43 -2.00 -1.60 114.38 113.19 1y51 h ARG 17 Ca 0.00 -0.61 -0.01 0.00 -0.81 0.00 0.00 59.98 58.55 1y51 h ARG 17 Cb 0.00 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 1y51 h ARG 17 CO 0.00 1.23 0.50 -1.35 -1.51 0.00 0.00 179.97 178.84 1y51 h PRO 18 N 0.61 1.17 -0.86 0.20 0.11 -1.94 -1.43 132.00 129.88 1y51 h PRO 18 Ca -0.02 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1y51 h PRO 18 Cb 1.28 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 32.11 1y51 h PRO 18 CO 0.14 0.84 0.51 0.00 -0.21 0.00 0.00 178.00 179.28 1y51 h ALA 19 N 1.27 1.09 -0.53 -0.75 0.00 -1.25 -1.49 119.26 117.60 1y51 h ALA 19 Ca 0.31 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1y51 h ALA 19 Cb -0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1y51 h ALA 19 CO -0.05 0.56 0.28 1.15 0.00 0.00 0.00 179.25 181.19 1y51 h THR 20 N 1.18 0.98 -0.54 0.00 2.02 -0.77 -1.63 112.91 114.15 1y51 h THR 20 Ca 0.31 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.20 1y51 h THR 20 Cb -0.04 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.73 1y51 h THR 20 CO -0.06 0.10 -0.04 0.40 0.37 0.00 0.00 175.52 176.30 1y51 h ILE 21 N 0.55 1.26 -0.31 3.11 2.04 -0.83 -1.28 117.51 122.04 1y51 h ILE 21 Ca 0.23 -1.15 0.04 0.00 1.00 0.00 0.00 64.86 64.97 1y51 h ILE 21 Cb 0.11 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1y51 h ILE 21 CO -0.14 0.41 0.10 0.25 0.00 0.00 0.00 178.15 178.77 1y51 h LEU 22 N 0.87 0.11 -0.72 1.44 5.85 -1.07 -0.27 115.31 121.53 1y51 h LEU 22 Ca 0.15 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1y51 h LEU 22 Cb 0.56 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1y51 h LEU 22 CO 0.03 0.10 0.46 0.58 -0.34 0.00 0.00 178.44 179.27 1y51 h VAL 23 N 0.24 1.19 -0.62 1.05 2.07 -0.97 -0.98 116.25 118.22 1y51 h VAL 23 Ca 0.14 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1y51 h VAL 23 Cb 0.12 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.02 1y51 h VAL 23 CO -0.15 0.19 0.09 1.56 0.02 0.00 0.00 177.57 179.28 1y51 h GLN 24 N 0.97 1.01 -0.32 1.57 4.20 -0.93 -0.41 115.11 121.20 1y51 h GLN 24 Ca 0.26 -0.26 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1y51 h GLN 24 Cb -0.08 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1y51 h GLN 24 CO -0.05 0.94 0.09 1.15 -0.67 0.00 0.00 178.83 180.28 1y51 h THR 25 N 0.95 0.88 -0.84 -0.54 2.02 -0.63 -2.72 112.91 112.02 1y51 h THR 25 Ca 0.19 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.36 1y51 h THR 25 Cb 0.42 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 1y51 h THR 25 CO 0.01 0.04 0.52 0.00 0.37 0.00 0.00 175.52 176.46 1y51 h ALA 26 N 1.22 1.17 0.00 6.16 0.00 -0.47 -2.84 119.26 124.51 1y51 h ALA 26 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y51 h ALA 26 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y51 h ALA 26 CO -0.17 0.23 0.00 0.66 0.00 0.00 0.00 179.25 179.97 1y51 h SER 27 N 0.92 0.00 0.45 0.00 4.64 -0.77 -2.72 113.55 116.07 1y51 h SER 27 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1y51 h SER 27 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1y51 h SER 27 CO -0.19 0.00 -0.04 0.11 -0.87 0.00 0.00 176.83 175.84 1y51 h LYS 28 N 0.00 0.00 -6.25 4.77 1.57 -1.42 -3.45 116.57 111.79 1y51 h LYS 28 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1y51 h LYS 28 Cb 0.36 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.54 1y51 h LYS 28 CO 0.00 0.04 -0.66 -1.58 -0.57 0.00 0.00 179.45 176.68 1y51 s TRP 29 N -4.01 3.01 0.33 -1.35 0.52 -1.03 -5.01 118.94 111.40 1y51 s TRP 29 Ca -0.02 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.13 1y51 s TRP 29 Cb 0.12 -1.61 0.56 0.00 -1.15 0.00 0.00 33.47 31.39 1y51 s TRP 29 CO 0.51 0.45 1.94 -0.91 0.02 0.00 0.00 176.95 178.97 1y51 h ASN 30 N 4.04 0.72 -3.67 2.95 2.35 -1.89 -3.45 115.58 116.64 1y51 h ASN 30 Ca -0.48 -0.06 -0.56 0.00 -0.55 0.00 0.00 56.30 54.65 1y51 h ASN 30 Cb 1.17 -0.18 0.18 0.00 0.05 0.00 0.00 38.32 39.53 1y51 h ASN 30 CO 0.58 0.60 0.04 -1.20 -1.65 0.00 0.00 177.43 175.80 1y51 n SER 31 N -4.37 0.30 -4.76 5.81 7.64 -1.26 -4.95 113.62 112.03 1y51 n SER 31 Ca 0.05 0.68 -0.40 0.00 1.01 0.00 0.00 58.87 60.21 1y51 n SER 31 Cb 0.12 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 61.88 1y51 n SER 31 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1y51 s GLU 32 N -3.16 4.57 -0.03 1.43 8.01 -0.36 -4.89 118.70 124.27 1y51 s GLU 32 Ca 0.73 1.17 0.01 0.00 0.01 0.00 0.00 54.97 56.89 1y51 s GLU 32 Cb -0.36 -3.32 0.01 0.00 -4.31 0.00 0.00 34.13 26.16 1y51 s GLU 32 CO 0.51 0.41 -0.06 0.42 0.01 0.00 0.00 175.26 176.55 1y51 s ILE 33 N -0.58 0.58 0.14 -1.63 1.01 -1.26 -1.01 121.20 118.45 1y51 s ILE 33 Ca 0.38 -0.19 0.09 0.00 0.00 0.00 0.00 60.65 60.93 1y51 s ILE 33 Cb -0.22 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1y51 s ILE 33 CO 0.26 0.22 -0.22 -1.10 0.00 0.00 0.00 174.94 174.09 1y51 s GLN 34 N 0.61 1.29 -0.09 2.79 1.11 -0.18 -0.85 119.66 124.32 1y51 s GLN 34 Ca -0.08 -1.33 0.04 0.00 0.01 0.00 0.00 55.36 53.99 1y51 s GLN 34 Cb -0.12 -1.55 0.00 0.00 -1.01 0.00 0.00 33.01 30.34 1y51 s GLN 34 CO 0.00 0.35 -0.22 -1.17 0.01 0.00 0.00 175.29 174.26 1y51 s LEU 35 N -2.29 2.01 -0.08 2.90 2.96 -0.14 -1.96 118.68 122.08 1y51 s LEU 35 Ca 0.13 -0.51 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 1y51 s LEU 35 Cb -0.08 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1y51 s LEU 35 CO 0.06 0.13 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.28 1y51 s GLU 36 N 0.42 2.74 -0.05 1.98 -6.30 0.75 -0.79 118.70 117.45 1y51 s GLU 36 Ca -0.18 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.42 1y51 s GLU 36 Cb -0.18 -2.19 0.02 0.00 0.00 0.00 0.00 34.13 31.79 1y51 s GLU 36 CO 0.08 0.28 -0.02 -0.47 0.02 0.00 0.00 175.26 175.15 1y51 s TYR 37 N 0.09 0.59 -1.38 5.30 5.04 -0.49 -1.10 117.35 125.39 1y51 s TYR 37 Ca -0.11 -0.13 -0.06 0.00 -2.44 0.00 0.00 57.07 54.33 1y51 s TYR 37 Cb -0.16 -0.62 0.04 0.00 0.35 0.00 0.00 41.96 41.57 1y51 s TYR 37 CO 0.06 -0.20 0.46 -1.71 -1.34 0.00 0.00 175.55 172.82 1y51 n ASN 38 N 4.36 -4.73 0.00 4.32 5.15 -1.26 -2.04 115.26 121.06 1y51 n ASN 38 Ca -0.21 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.51 1y51 n ASN 38 Cb 0.50 -3.88 0.00 0.00 -0.53 0.00 0.00 39.78 35.87 1y51 n ASN 38 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y51 n GLY 39 N -1.26 0.75 3.20 8.20 0.00 -1.26 -5.05 105.19 109.77 1y51 n GLY 39 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1y51 n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y51 s LYS 40 N -0.58 2.95 -0.11 1.61 2.20 -0.86 -5.12 119.74 119.83 1y51 s LYS 40 Ca 0.00 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1y51 s LYS 40 Cb 0.00 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1y51 s LYS 40 CO 0.00 0.15 -0.15 0.99 -0.36 0.00 0.00 175.35 175.98 1y51 s THR 41 N 0.42 2.87 0.16 3.43 2.01 -1.26 -1.39 115.64 121.87 1y51 s THR 41 Ca -0.17 -0.74 0.06 0.00 0.31 0.00 0.00 61.69 61.15 1y51 s THR 41 Cb -0.18 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 1y51 s THR 41 CO 0.07 0.54 -0.12 0.68 -0.69 0.00 0.00 174.62 175.10 1y51 s VAL 42 N 0.20 1.39 -0.08 3.82 -7.23 0.03 -4.98 120.40 113.55 1y51 s VAL 42 Ca -0.09 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.71 1y51 s VAL 42 Cb -0.16 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1y51 s VAL 42 CO 0.06 -0.65 1.52 0.21 -0.31 0.00 0.00 175.10 175.92 1y51 s ASN 43 N -3.13 6.76 0.05 4.85 3.84 -1.26 -0.96 114.94 125.09 1y51 s ASN 43 Ca 0.18 2.07 0.18 0.00 0.21 0.00 0.00 52.86 55.50 1y51 s ASN 43 Cb 0.00 -2.54 0.76 0.00 -0.55 0.00 0.00 41.25 38.93 1y51 s ASN 43 CO 0.03 -0.86 1.57 -0.11 -2.79 0.00 0.00 177.10 174.94 1y51 n LEU 44 N 6.81 0.13 -0.48 3.21 7.94 -0.03 -1.76 117.00 132.81 1y51 n LEU 44 Ca 0.16 0.53 0.13 0.00 -1.11 0.00 0.00 56.01 55.72 1y51 n LEU 44 Cb 0.43 -0.51 0.50 0.00 0.53 0.00 0.00 43.42 44.37 1y51 n LEU 44 CO 0.60 -0.27 0.85 0.29 -1.11 0.00 0.00 177.39 177.76 1y51 n LYS 45 N -1.64 1.65 -3.81 1.96 5.02 -1.26 -4.45 118.16 115.63 1y51 n LYS 45 Ca 0.04 -0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 55.02 1y51 n LYS 45 Cb 0.21 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 1y51 n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1y51 s SER 46 N -1.85 5.19 0.27 4.39 0.15 -0.73 -4.97 113.70 116.15 1y51 s SER 46 Ca 0.36 -1.95 -0.02 0.00 0.70 0.00 0.00 55.95 55.05 1y51 s SER 46 Cb 0.20 -1.80 0.43 0.00 -1.71 0.00 0.00 66.02 63.14 1y51 s SER 46 CO 0.31 -0.50 1.88 -0.29 1.20 0.00 0.00 173.24 175.85 1y51 h ILE 47 N 6.39 1.08 -0.76 6.45 2.10 -1.84 -2.20 117.51 128.73 1y51 h ILE 47 Ca -0.13 -0.39 0.03 0.00 1.08 0.00 0.00 64.86 65.45 1y51 h ILE 47 Cb 1.05 -0.17 -0.05 0.00 -1.09 0.00 0.00 36.82 36.56 1y51 h ILE 47 CO 0.67 0.21 0.48 -0.03 -1.08 0.00 0.00 178.15 178.39 1y51 h MET 48 N 1.15 0.90 -0.35 2.19 4.05 -1.94 -0.69 114.93 120.23 1y51 h MET 48 Ca 0.43 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.65 1y51 h MET 48 Cb 0.19 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1y51 h MET 48 CO -0.17 0.60 -0.36 0.78 0.23 0.00 0.00 176.91 177.99 1y51 h GLY 49 N 0.93 0.89 0.98 1.39 0.00 -1.81 -0.93 103.07 104.52 1y51 h GLY 49 Ca 0.31 -0.87 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1y51 h GLY 49 CO -0.12 0.79 0.26 -2.08 0.00 0.00 0.00 176.54 175.39 1y51 h VAL 50 N 0.68 1.17 -0.27 4.60 2.07 -1.04 -2.47 116.25 120.99 1y51 h VAL 50 Ca 0.06 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 1y51 h VAL 50 Cb 0.91 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1y51 h VAL 50 CO 0.08 0.18 -0.13 0.24 0.02 0.00 0.00 177.57 177.97 1y51 h MET 51 N 0.63 0.45 -0.30 1.57 2.86 -0.99 -2.71 114.93 116.45 1y51 h MET 51 Ca 0.17 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1y51 h MET 51 Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1y51 h MET 51 CO -0.03 0.58 0.21 0.66 1.06 0.00 0.00 176.91 179.39 1y51 h SER 52 N 0.42 0.06 0.88 1.22 4.64 -0.70 -2.46 113.55 117.61 1y51 h SER 52 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1y51 h SER 52 Cb 0.47 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1y51 h SER 52 CO 0.03 0.04 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.77 1y51 h LEU 53 N 0.07 0.00 -1.33 5.97 3.38 -1.28 -3.47 115.31 118.65 1y51 h LEU 53 Ca 0.14 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.74 1y51 h LEU 53 Cb 0.46 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.35 1y51 h LEU 53 CO -0.01 0.19 -0.74 0.61 0.09 0.00 0.00 178.44 178.58 1y51 n GLY 54 N 0.05 -0.43 3.66 0.83 0.00 -0.93 -4.87 105.19 103.50 1y51 n GLY 54 Ca -0.00 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1y51 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y51 s ILE 55 N -3.37 3.78 0.52 -0.61 1.01 -1.26 -4.97 121.20 116.30 1y51 s ILE 55 Ca 0.26 0.96 0.01 0.00 0.00 0.00 0.00 60.65 61.87 1y51 s ILE 55 Cb -0.12 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1y51 s ILE 55 CO 0.74 -0.08 0.75 -2.16 0.00 0.00 0.00 174.94 174.19 1y51 s PRO 56 N 3.82 2.73 0.30 2.79 0.04 -1.26 -1.27 135.00 142.15 1y51 s PRO 56 Ca 0.68 -0.65 -0.29 0.00 0.04 0.00 0.00 61.00 60.78 1y51 s PRO 56 Cb -0.30 -2.50 -0.13 0.00 0.04 0.00 0.00 34.50 31.61 1y51 s PRO 56 CO 0.25 -0.57 1.27 1.17 0.04 0.00 0.00 177.00 179.16 1y51 n LYS 57 N -2.27 1.94 -0.81 4.56 4.81 -1.26 -2.45 118.16 122.68 1y51 n LYS 57 Ca 0.06 0.68 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1y51 n LYS 57 Cb 0.59 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.39 1y51 n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y51 n GLY 58 N 1.26 1.00 3.77 3.14 0.00 -0.48 -4.98 105.19 108.90 1y51 n GLY 58 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1y51 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y51 s ALA 59 N -3.67 2.53 -0.17 4.61 0.00 -1.02 -4.70 121.76 119.34 1y51 s ALA 59 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1y51 s ALA 59 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1y51 s ALA 59 CO 0.00 -1.13 0.12 0.99 0.00 0.00 0.00 175.76 175.74 1y51 s THR 60 N -2.07 5.35 0.23 0.00 2.01 -1.26 -0.57 115.64 119.33 1y51 s THR 60 Ca 0.70 0.16 0.09 0.00 0.31 0.00 0.00 61.69 62.95 1y51 s THR 60 Cb -0.23 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 1y51 s THR 60 CO 0.36 0.51 -0.15 0.27 -0.69 0.00 0.00 174.62 174.92 1y51 s ILE 61 N -0.15 1.93 -0.07 1.82 -4.36 -0.38 -4.49 121.20 115.50 1y51 s ILE 61 Ca 0.10 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 1y51 s ILE 61 Cb -0.11 -2.16 0.02 0.00 1.25 0.00 0.00 42.46 41.46 1y51 s ILE 61 CO 0.00 -0.51 -0.08 -0.75 0.24 0.00 0.00 174.94 173.85 1y51 s LYS 62 N -3.62 1.31 -0.13 0.37 2.20 -0.26 -1.36 119.74 118.25 1y51 s LYS 62 Ca 0.25 -0.24 -0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1y51 s LYS 62 Cb -0.01 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.02 1y51 s LYS 62 CO 0.10 -0.11 0.03 0.42 -0.36 0.00 0.00 175.35 175.42 1y51 s ILE 63 N 1.13 4.51 0.07 5.43 1.01 -0.10 -0.18 121.20 133.07 1y51 s ILE 63 Ca -0.07 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.50 1y51 s ILE 63 Cb -0.14 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1y51 s ILE 63 CO -0.01 0.54 -0.20 0.42 0.00 0.00 0.00 174.94 175.69 1y51 s THR 64 N -0.29 1.63 -0.04 2.92 -4.23 -0.83 -1.20 115.64 113.59 1y51 s THR 64 Ca 0.07 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 1y51 s THR 64 Cb -0.12 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.29 1y51 s THR 64 CO 0.02 0.08 0.11 0.00 -0.54 0.00 0.00 174.62 174.29 1y51 s ALA 65 N -0.95 -0.25 -0.08 3.99 0.00 0.25 -1.02 121.76 123.69 1y51 s ALA 65 Ca 0.06 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1y51 s ALA 65 Cb -0.09 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.84 1y51 s ALA 65 CO 0.03 -0.07 -0.02 -1.21 0.00 0.00 0.00 175.76 174.49 1y51 s GLU 66 N 0.25 0.90 0.00 0.00 8.01 -0.18 -0.51 118.70 127.17 1y51 s GLU 66 Ca -0.02 -0.01 0.00 0.00 0.01 0.00 0.00 54.97 54.96 1y51 s GLU 66 Cb -0.03 -1.17 0.00 0.00 -4.31 0.00 0.00 34.13 28.62 1y51 s GLU 66 CO -0.01 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.38 1y51 n GLY 67 N 5.08 0.39 0.24 -1.39 0.00 -1.26 -1.22 105.19 107.03 1y51 n GLY 67 Ca -0.09 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.61 1y51 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y51 h ALA 68 N 0.00 1.04 -0.51 4.61 0.00 -1.99 -2.27 119.26 120.13 1y51 h ALA 68 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 1y51 h ALA 68 Cb 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 17.63 1y51 h ALA 68 CO 0.00 0.18 0.12 -0.40 0.00 0.00 0.00 179.25 179.15 1y51 n ASP 69 N -3.32 3.10 -0.14 0.00 3.85 -1.26 -4.77 116.55 114.01 1y51 n ASP 69 Ca 0.00 -3.61 -0.05 0.00 -0.71 0.00 0.00 54.79 50.42 1y51 n ASP 69 Cb 0.37 -0.68 0.13 0.00 -1.35 0.00 0.00 41.12 39.60 1y51 n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1y51 h ALA 70 N 1.23 1.05 -0.29 2.12 0.00 -1.75 -0.34 119.26 121.28 1y51 h ALA 70 Ca 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1y51 h ALA 70 Cb 1.95 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1y51 h ALA 70 CO 0.55 0.60 0.15 0.00 0.00 0.00 0.00 179.25 180.55 1y51 h ALA 71 N 1.20 0.37 -0.60 0.00 0.00 -1.86 -0.19 119.26 118.19 1y51 h ALA 71 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1y51 h ALA 71 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1y51 h ALA 71 CO 0.02 -0.09 0.21 0.93 0.00 0.00 0.00 179.25 180.32 1y51 h GLU 72 N 0.34 0.88 -0.21 0.00 3.07 -1.86 -1.61 114.58 115.20 1y51 h GLU 72 Ca 0.10 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1y51 h GLU 72 Cb 0.08 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 1y51 h GLU 72 CO -0.02 0.74 0.06 0.00 -1.40 0.00 0.00 179.01 178.40 1y51 h ALA 73 N 1.37 0.28 -0.43 3.43 0.00 -0.69 -1.59 119.26 121.63 1y51 h ALA 73 Ca 0.20 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1y51 h ALA 73 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1y51 h ALA 73 CO -0.01 -0.09 -0.10 1.98 0.00 0.00 0.00 179.25 181.03 1y51 h MET 74 N 0.17 0.77 -0.56 0.00 -1.53 -0.76 0.12 114.93 113.14 1y51 h MET 74 Ca 0.07 -0.25 -0.04 0.00 -3.44 0.00 0.00 59.70 56.04 1y51 h MET 74 Cb 0.25 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.21 1y51 h MET 74 CO -0.00 0.84 0.20 0.00 0.14 0.00 0.00 176.91 178.09 1y51 h ALA 75 N 1.19 0.73 -0.35 0.39 0.00 -1.22 -0.08 119.26 119.91 1y51 h ALA 75 Ca 0.12 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1y51 h ALA 75 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y51 h ALA 75 CO 0.04 0.37 -0.36 0.00 0.00 0.00 0.00 179.25 179.29 1y51 h ALA 76 N 1.06 0.68 -0.56 0.00 0.00 -0.93 -1.10 119.26 118.41 1y51 h ALA 76 Ca 0.18 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1y51 h ALA 76 Cb 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y51 h ALA 76 CO -0.01 0.67 -0.03 -0.07 0.00 0.00 0.00 179.25 179.80 1y51 h LEU 77 N 0.68 0.99 -0.36 0.00 3.38 -0.77 -1.30 115.31 117.94 1y51 h LEU 77 Ca 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1y51 h LEU 77 Cb 0.93 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1y51 h LEU 77 CO 0.09 1.06 0.23 0.74 0.09 0.00 0.00 178.44 180.65 1y51 h THR 78 N 0.91 1.10 -0.40 0.22 2.02 -0.77 -0.23 112.91 115.75 1y51 h THR 78 Ca 0.16 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.19 1y51 h THR 78 Cb 0.58 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1y51 h THR 78 CO 0.03 0.09 0.20 0.44 0.37 0.00 0.00 175.52 176.66 1y51 h ASP 79 N 0.48 0.30 -0.59 4.18 3.32 -0.97 -1.94 116.42 121.21 1y51 h ASP 79 Ca 0.13 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1y51 h ASP 79 Cb -0.05 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1y51 h ASP 79 CO -0.03 0.22 0.06 0.74 -1.72 0.00 0.00 179.24 178.51 1y51 h THR 80 N 0.41 1.26 -0.81 0.35 2.02 -0.97 -0.10 112.91 115.07 1y51 h THR 80 Ca 0.17 -1.04 0.06 0.00 0.77 0.00 0.00 66.41 66.37 1y51 h THR 80 Cb 0.07 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 1y51 h THR 80 CO -0.12 0.38 0.53 -0.07 0.37 0.00 0.00 175.52 176.61 1y51 h LEU 81 N 0.89 0.78 -0.09 2.58 3.38 -0.94 -1.13 115.31 120.79 1y51 h LEU 81 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1y51 h LEU 81 Cb 0.47 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1y51 h LEU 81 CO 0.02 0.51 -0.14 0.00 0.09 0.00 0.00 178.44 178.91 1y51 h ALA 82 N 1.56 0.14 0.00 1.53 0.00 -0.98 0.69 119.26 122.20 1y51 h ALA 82 Ca 0.35 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1y51 h ALA 82 Cb 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1y51 h ALA 82 CO -0.12 0.03 -0.31 0.87 0.00 0.00 0.00 179.25 179.72 1y51 h LYS 83 N -0.18 0.00 -0.12 0.00 1.57 -0.74 -1.64 116.57 115.46 1y51 h LYS 83 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y51 h LYS 83 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1y51 h LYS 83 CO 0.03 0.31 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 1y51 n GLU 84 N -3.93 1.85 -2.25 3.15 -0.58 -0.45 -4.94 120.64 113.48 1y51 n GLU 84 Ca -0.02 -1.26 -0.17 0.00 -0.42 0.00 0.00 57.16 55.30 1y51 n GLU 84 Cb 0.38 -1.45 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1y51 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y51 n GLY 85 N 1.21 -0.16 0.13 0.62 0.00 -0.62 -4.93 105.19 101.44 1y51 n GLY 85 Ca 0.17 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1y51 n GLY 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y51 n LEU 86 N -2.35 2.50 -3.54 0.99 4.77 0.20 -3.16 117.00 116.42 1y51 n LEU 86 Ca -0.20 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.93 1y51 n LEU 86 Cb 0.64 -1.06 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1y51 n LEU 86 CO 0.23 0.74 0.71 0.00 -1.33 0.00 0.00 177.39 177.75 1y51 s ALA 87 N -2.52 -1.82 0.00 -1.18 0.00 -0.98 0.28 121.76 115.54 1y51 s ALA 87 Ca -0.26 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1y51 s ALA 87 Cb 0.07 0.42 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1y51 s ALA 87 CO 0.71 -0.73 0.00 -0.85 0.00 0.00 0.00 175.76 174.89