#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 0.40 -0.20 0.00 -6.30 -1.26 -0.89 118.70 110.45 1y51 s GLU 3 Ca 0.00 0.50 -0.17 0.00 -2.50 0.00 0.00 54.97 52.80 1y51 s GLU 3 Cb 0.00 0.18 0.06 0.00 0.00 0.00 0.00 34.13 34.37 1y51 s GLU 3 CO 0.00 -0.06 0.53 0.21 0.02 0.00 0.00 175.26 175.96 1y51 s LYS 4 N 0.26 0.59 0.02 4.30 2.20 -0.48 -5.02 119.74 121.61 1y51 s LYS 4 Ca -0.01 0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 56.38 1y51 s LYS 4 Cb -0.03 0.23 -0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1y51 s LYS 4 CO -0.00 -0.10 0.19 0.95 -0.36 0.00 0.00 175.35 176.03 1y51 s THR 5 N 0.60 5.40 0.10 3.43 -4.23 -1.26 -0.85 115.64 118.83 1y51 s THR 5 Ca -0.03 -0.25 0.04 0.00 -1.18 0.00 0.00 61.69 60.27 1y51 s THR 5 Cb -0.05 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1y51 s THR 5 CO -0.04 0.26 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.84 1y51 s PHE 6 N -1.39 1.05 -0.15 3.99 0.40 -0.29 -4.99 117.98 116.59 1y51 s PHE 6 Ca 0.30 -0.67 -0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1y51 s PHE 6 Cb -0.13 -0.57 -0.03 0.00 0.51 0.00 0.00 43.02 42.80 1y51 s PHE 6 CO 0.22 -0.01 -0.00 0.21 0.70 0.00 0.00 175.22 176.34 1y51 s LYS 7 N -2.88 3.68 -0.11 0.44 2.47 -0.12 -1.06 119.74 122.15 1y51 s LYS 7 Ca 0.06 -0.45 -0.29 0.00 -1.56 0.00 0.00 55.97 53.73 1y51 s LYS 7 Cb -0.02 -2.99 -0.01 0.00 -1.46 0.00 0.00 37.83 33.35 1y51 s LYS 7 CO -0.00 0.31 0.99 0.08 0.16 0.00 0.00 175.35 176.89 1y51 s VAL 8 N 0.21 4.79 -0.46 4.02 1.01 0.33 -1.43 120.40 128.87 1y51 s VAL 8 Ca 0.00 2.01 0.05 0.00 0.00 0.00 0.00 61.98 64.04 1y51 s VAL 8 Cb -0.13 -4.30 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1y51 s VAL 8 CO 0.02 0.01 0.45 1.33 0.00 0.00 0.00 175.10 176.90 1y51 n VAL 9 N 4.57 0.00 -2.35 2.92 0.24 0.61 -2.27 118.33 122.04 1y51 n VAL 9 Ca 0.08 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 1y51 n VAL 9 Cb 0.49 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.94 7.05 0.46 -1.34 0.15 -1.18 -4.94 113.70 112.97 1y51 s SER 10 Ca 0.04 2.24 0.17 0.00 0.70 0.00 0.00 55.95 59.10 1y51 s SER 10 Cb 0.04 -2.60 1.14 0.00 -1.71 0.00 0.00 66.02 62.89 1y51 s SER 10 CO 0.13 -0.41 1.99 0.44 1.20 0.00 0.00 173.24 176.59 1y51 h ASP 11 N 5.42 0.25 -0.73 5.45 3.45 -1.95 -1.97 116.42 126.34 1y51 h ASP 11 Ca -0.44 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1y51 h ASP 11 Cb 1.21 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1y51 h ASP 11 CO 0.76 0.15 0.00 -1.54 -1.57 0.00 0.00 179.24 177.04 1y51 n SER 12 N -4.45 3.93 0.00 6.45 3.41 -1.26 -4.56 113.62 117.14 1y51 n SER 12 Ca 0.09 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1y51 n SER 12 Cb 0.42 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.64 0.15 3.14 5.00 0.00 -0.74 -4.54 105.19 109.84 1y51 n GLY 13 Ca 0.24 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 3.28 0.33 -0.61 1.01 -0.39 -4.72 121.20 120.09 1y51 s ILE 14 Ca 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 60.65 58.73 1y51 s ILE 14 Cb 0.00 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1y51 s ILE 14 CO 0.00 -0.54 0.52 -1.00 0.00 0.00 0.00 174.94 173.92 1y51 s HIS 15 N 1.18 0.80 0.00 3.97 3.76 -1.26 -4.30 115.29 119.44 1y51 s HIS 15 Ca 0.05 -1.12 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 1y51 s HIS 15 Cb -0.22 0.11 0.00 0.00 1.11 0.00 0.00 32.58 33.58 1y51 s HIS 15 CO -0.03 -1.18 0.00 0.00 -0.85 0.00 0.00 174.74 172.68 1y51 n ALA 16 N -0.53 0.00 -0.11 -1.40 0.00 -1.26 -1.79 120.51 115.43 1y51 n ALA 16 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.30 1y51 n ALA 16 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 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 0.81 -0.50 0.00 9.65 -2.00 -1.84 114.38 120.49 1y51 h ARG 17 Ca 0.00 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.46 1y51 h ARG 17 Cb 0.00 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1y51 h ARG 17 CO 0.00 1.05 0.28 -1.35 2.80 0.00 0.00 179.97 182.75 1y51 h PRO 18 N 0.59 0.68 -0.57 0.20 0.11 -1.94 -1.28 132.00 129.79 1y51 h PRO 18 Ca 0.06 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1y51 h PRO 18 Cb 0.88 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.83 1y51 h PRO 18 CO 0.08 0.49 0.02 0.00 -0.21 0.00 0.00 178.00 178.38 1y51 h ALA 19 N 1.62 0.95 -0.48 -0.75 0.00 -1.02 -1.19 119.26 118.39 1y51 h ALA 19 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y51 h ALA 19 Cb 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1y51 h ALA 19 CO -0.03 0.63 0.29 1.15 0.00 0.00 0.00 179.25 181.30 1y51 h THR 20 N 0.89 1.15 -0.57 0.00 2.02 -0.74 -1.36 112.91 114.30 1y51 h THR 20 Ca 0.17 -0.34 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 1y51 h THR 20 Cb 0.50 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1y51 h THR 20 CO 0.02 0.15 0.01 0.40 0.37 0.00 0.00 175.52 176.48 1y51 h ILE 21 N 0.65 1.26 -0.37 3.11 2.04 -0.94 -0.79 117.51 122.47 1y51 h ILE 21 Ca 0.17 -1.10 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1y51 h ILE 21 Cb -0.01 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1y51 h ILE 21 CO -0.03 0.40 0.16 0.25 0.00 0.00 0.00 178.15 178.92 1y51 h LEU 22 N 0.88 0.21 -0.87 1.44 5.85 -0.91 -0.76 115.31 121.14 1y51 h LEU 22 Ca 0.16 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1y51 h LEU 22 Cb 0.53 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1y51 h LEU 22 CO 0.03 0.16 0.57 0.58 -0.34 0.00 0.00 178.44 179.44 1y51 h VAL 23 N 0.33 1.23 -0.66 1.05 2.07 -0.98 -1.10 116.25 118.18 1y51 h VAL 23 Ca 0.16 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1y51 h VAL 23 Cb 0.10 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 1y51 h VAL 23 CO -0.14 0.22 0.12 1.56 0.02 0.00 0.00 177.57 179.36 1y51 h GLN 24 N 1.18 1.07 -0.43 1.57 4.20 -0.71 -0.76 115.11 121.24 1y51 h GLN 24 Ca 0.32 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.78 1y51 h GLN 24 Cb -0.13 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.49 1y51 h GLN 24 CO -0.07 0.97 0.25 1.15 -0.67 0.00 0.00 178.83 180.46 1y51 h THR 25 N 1.01 1.05 -0.92 -0.54 2.02 -0.73 -2.72 112.91 112.07 1y51 h THR 25 Ca 0.20 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 67.22 1y51 h THR 25 Cb 0.40 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 1y51 h THR 25 CO 0.01 0.09 0.61 0.00 0.37 0.00 0.00 175.52 176.60 1y51 h ALA 26 N 1.19 1.18 0.00 6.16 0.00 -0.70 -2.88 119.26 124.21 1y51 h ALA 26 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1y51 h ALA 26 Cb 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.43 1y51 h ALA 26 CO -0.08 0.55 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 1y51 n SER 27 N -4.45 0.15 0.23 0.00 3.41 -0.34 -2.65 113.62 109.97 1y51 n SER 27 Ca 0.11 0.54 0.15 0.00 -0.26 0.00 0.00 58.87 59.41 1y51 n SER 27 Cb 0.03 -0.57 0.53 0.00 -0.26 0.00 0.00 64.21 63.94 1y51 n SER 27 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1y51 h LYS 28 N 0.00 0.00 -6.01 4.33 3.64 -1.47 -3.46 116.57 113.60 1y51 h LYS 28 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1y51 h LYS 28 Cb 0.21 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.92 1y51 h LYS 28 CO 0.00 0.00 -0.59 -1.58 -2.27 0.00 0.00 179.45 175.01 1y51 s TRP 29 N -3.48 3.24 0.35 1.91 0.52 -1.09 -5.02 118.94 115.37 1y51 s TRP 29 Ca 0.03 0.20 0.06 0.00 0.02 0.00 0.00 56.10 56.41 1y51 s TRP 29 Cb 0.08 -1.74 0.64 0.00 -1.15 0.00 0.00 33.47 31.31 1y51 s TRP 29 CO 0.55 0.53 1.87 -0.91 0.02 0.00 0.00 176.95 179.01 1y51 h ASN 30 N 4.35 0.40 -3.24 2.95 2.35 -1.89 -3.45 115.58 117.05 1y51 h ASN 30 Ca -0.50 -0.08 -0.57 0.00 -0.55 0.00 0.00 56.30 54.60 1y51 h ASN 30 Cb 1.19 -0.10 0.17 0.00 0.05 0.00 0.00 38.32 39.62 1y51 h ASN 30 CO 0.60 0.52 -0.22 -1.20 -1.65 0.00 0.00 177.43 175.48 1y51 n SER 31 N -4.26 -0.46 -4.78 5.81 7.64 -1.26 -4.99 113.62 111.32 1y51 n SER 31 Ca 0.01 0.72 -0.39 0.00 1.01 0.00 0.00 58.87 60.22 1y51 n SER 31 Cb 0.27 -1.26 -0.06 0.00 -1.01 0.00 0.00 64.21 62.15 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 -2.48 4.52 -0.01 1.43 0.41 -0.40 -4.87 118.70 117.29 1y51 s GLU 32 Ca 0.71 1.10 0.01 0.00 -0.41 0.00 0.00 54.97 56.38 1y51 s GLU 32 Cb -0.41 -3.27 0.00 0.00 -1.78 0.00 0.00 34.13 28.67 1y51 s GLU 32 CO 0.52 0.56 -0.05 0.42 -0.49 0.00 0.00 175.26 176.23 1y51 s ILE 33 N -1.06 0.40 0.11 -1.63 1.01 -1.26 -0.73 121.20 118.03 1y51 s ILE 33 Ca 0.35 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.89 1y51 s ILE 33 Cb -0.22 -0.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 1y51 s ILE 33 CO 0.25 0.13 -0.17 -1.10 0.00 0.00 0.00 174.94 174.05 1y51 s GLN 34 N 0.11 1.04 -0.08 2.79 1.11 -0.17 -1.13 119.66 123.33 1y51 s GLN 34 Ca -0.01 -1.16 0.05 0.00 0.01 0.00 0.00 55.36 54.25 1y51 s GLN 34 Cb -0.05 -1.11 -0.01 0.00 -1.01 0.00 0.00 33.01 30.84 1y51 s GLN 34 CO -0.00 0.24 -0.23 -1.17 0.01 0.00 0.00 175.29 174.14 1y51 s LEU 35 N -2.10 2.16 -0.09 2.90 2.96 -0.04 -2.00 118.68 122.47 1y51 s LEU 35 Ca 0.06 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1y51 s LEU 35 Cb -0.08 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1y51 s LEU 35 CO 0.04 0.20 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.40 1y51 s GLU 36 N 0.08 2.27 -0.05 1.98 2.12 0.18 -1.08 118.70 124.20 1y51 s GLU 36 Ca -0.11 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.64 1y51 s GLU 36 Cb -0.16 -1.82 0.02 0.00 0.26 0.00 0.00 34.13 32.43 1y51 s GLU 36 CO 0.06 0.05 -0.06 -0.47 -0.54 0.00 0.00 175.26 174.30 1y51 s TYR 37 N 0.66 0.94 -1.40 5.30 5.04 -0.54 -1.44 117.35 125.90 1y51 s TYR 37 Ca -0.14 -0.30 -0.09 0.00 -2.44 0.00 0.00 57.07 54.11 1y51 s TYR 37 Cb -0.16 -0.79 0.05 0.00 0.35 0.00 0.00 41.96 41.42 1y51 s TYR 37 CO 0.04 -0.23 0.60 -1.71 -1.34 0.00 0.00 175.55 172.91 1y51 n ASN 38 N 4.06 -4.62 0.00 4.32 4.05 -1.26 -2.09 115.26 119.72 1y51 n ASN 38 Ca -0.23 -0.41 0.00 0.00 0.45 0.00 0.00 54.58 54.39 1y51 n ASN 38 Cb 0.51 -3.76 0.00 0.00 1.23 0.00 0.00 39.78 37.76 1y51 n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1y51 n GLY 39 N -1.35 0.75 3.28 8.20 0.00 -1.26 -5.06 105.19 109.74 1y51 n GLY 39 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1y51 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y51 s LYS 40 N -0.57 3.21 -0.10 1.61 1.02 -0.89 -5.11 119.74 118.91 1y51 s LYS 40 Ca 0.00 -0.77 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1y51 s LYS 40 Cb 0.00 -2.53 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1y51 s LYS 40 CO 0.00 0.11 -0.14 0.99 -0.92 0.00 0.00 175.35 175.39 1y51 s THR 41 N 0.56 2.97 0.22 2.17 2.01 -1.26 -1.47 115.64 120.84 1y51 s THR 41 Ca -0.11 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.23 1y51 s THR 41 Cb -0.16 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.09 1y51 s THR 41 CO 0.04 0.55 -0.07 0.68 -0.69 0.00 0.00 174.62 175.13 1y51 s VAL 42 N -0.08 1.39 -0.14 3.82 -7.23 -0.24 -4.98 120.40 112.95 1y51 s VAL 42 Ca -0.03 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 57.75 1y51 s VAL 42 Cb -0.14 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.56 1y51 s VAL 42 CO 0.04 -0.46 1.41 0.21 -0.31 0.00 0.00 175.10 175.99 1y51 s ASN 43 N -3.32 6.81 0.00 4.85 3.84 -1.26 -0.86 114.94 125.00 1y51 s ASN 43 Ca 0.25 1.84 0.17 0.00 0.21 0.00 0.00 52.86 55.33 1y51 s ASN 43 Cb 0.03 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.94 1y51 s ASN 43 CO 0.08 -0.86 1.51 -0.11 -2.79 0.00 0.00 177.10 174.93 1y51 n LEU 44 N 6.94 0.00 -0.38 3.21 7.94 -0.29 -1.63 117.00 132.79 1y51 n LEU 44 Ca 0.15 0.43 0.14 0.00 -1.11 0.00 0.00 56.01 55.62 1y51 n LEU 44 Cb 0.44 -0.43 0.59 0.00 0.53 0.00 0.00 43.42 44.55 1y51 n LEU 44 CO 0.59 -0.19 0.90 0.29 -1.11 0.00 0.00 177.39 177.87 1y51 n LYS 45 N -1.43 1.53 -3.77 1.96 5.02 -1.26 -4.40 118.16 115.80 1y51 n LYS 45 Ca 0.05 -0.77 -0.37 0.00 -2.02 0.00 0.00 58.31 55.21 1y51 n LYS 45 Cb 0.17 -1.47 -0.12 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.93 5.25 0.27 4.39 0.15 -0.65 -4.97 113.70 116.22 1y51 s SER 46 Ca 0.39 -1.70 -0.01 0.00 0.70 0.00 0.00 55.95 55.33 1y51 s SER 46 Cb 0.20 -1.84 0.38 0.00 -1.71 0.00 0.00 66.02 63.06 1y51 s SER 46 CO 0.33 -0.46 1.79 -0.29 1.20 0.00 0.00 173.24 175.81 1y51 h ILE 47 N 6.32 1.23 -0.54 6.45 6.09 -1.84 -1.57 117.51 133.65 1y51 h ILE 47 Ca -0.17 -0.92 0.06 0.00 -1.37 0.00 0.00 64.86 62.46 1y51 h ILE 47 Cb 1.06 0.81 -0.05 0.00 0.47 0.00 0.00 36.82 39.11 1y51 h ILE 47 CO 0.67 0.33 0.24 -0.03 -3.07 0.00 0.00 178.15 176.29 1y51 h MET 48 N 0.74 0.45 -0.48 2.19 4.05 -1.94 0.14 114.93 120.08 1y51 h MET 48 Ca 0.15 -0.03 -0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1y51 h MET 48 Cb 0.39 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 1y51 h MET 48 CO 0.01 0.30 -0.01 0.78 0.23 0.00 0.00 176.91 178.22 1y51 h GLY 49 N 0.46 0.92 0.96 1.39 0.00 -1.76 -1.29 103.07 103.75 1y51 h GLY 49 Ca 0.25 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1y51 h GLY 49 CO -0.21 0.63 0.21 -2.08 0.00 0.00 0.00 176.54 175.09 1y51 h VAL 50 N 0.70 1.18 -0.06 4.60 2.07 -0.95 -2.50 116.25 121.30 1y51 h VAL 50 Ca 0.14 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 1y51 h VAL 50 Cb 0.52 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1y51 h VAL 50 CO 0.03 0.19 -0.34 0.24 0.02 0.00 0.00 177.57 177.71 1y51 h MET 51 N 0.57 0.12 0.00 1.57 2.86 -0.77 -2.79 114.93 116.49 1y51 h MET 51 Ca 0.15 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1y51 h MET 51 Cb 0.11 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1y51 h MET 51 CO -0.02 0.45 -0.02 0.66 1.06 0.00 0.00 176.91 179.04 1y51 h SER 52 N 0.10 0.00 0.97 1.22 4.64 -0.78 -2.30 113.55 117.41 1y51 h SER 52 Ca 0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1y51 h SER 52 Cb 0.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1y51 h SER 52 CO 0.05 0.02 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.95 1y51 h LEU 53 N 0.00 0.00 -1.83 5.97 3.38 -1.33 -3.47 115.31 118.03 1y51 h LEU 53 Ca -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1y51 h LEU 53 Cb 0.05 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.84 1y51 h LEU 53 CO 0.00 0.01 -0.84 0.61 0.09 0.00 0.00 178.44 178.31 1y51 n GLY 54 N -0.01 -0.30 3.66 0.83 0.00 -0.87 -4.85 105.19 103.66 1y51 n GLY 54 Ca 0.00 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.70 3.93 0.53 -0.61 1.01 -1.26 -4.99 121.20 116.11 1y51 s ILE 55 Ca 0.01 1.11 -0.00 0.00 0.00 0.00 0.00 60.65 61.77 1y51 s ILE 55 Cb -0.00 -3.73 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1y51 s ILE 55 CO 0.82 -0.11 0.77 -2.16 0.00 0.00 0.00 174.94 174.26 1y51 s PRO 56 N 3.82 2.72 0.26 2.79 0.04 -1.26 -1.27 135.00 142.10 1y51 s PRO 56 Ca 0.64 -0.58 -0.30 0.00 0.04 0.00 0.00 61.00 60.81 1y51 s PRO 56 Cb -0.27 -2.47 -0.14 0.00 0.04 0.00 0.00 34.50 31.66 1y51 s PRO 56 CO 0.22 -0.61 1.15 1.17 0.04 0.00 0.00 177.00 178.97 1y51 n LYS 57 N -2.32 1.54 -1.00 4.56 4.81 -1.26 -2.24 118.16 122.25 1y51 n LYS 57 Ca 0.05 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1y51 n LYS 57 Cb 0.59 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 1.49 0.89 3.75 3.14 0.00 -0.96 -4.97 105.19 108.53 1y51 n GLY 58 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.56 2.35 -0.18 4.61 0.00 -0.95 -4.68 121.76 119.35 1y51 s ALA 59 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 1y51 s ALA 59 Cb 0.00 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1y51 s ALA 59 CO 0.00 -1.47 0.08 0.99 0.00 0.00 0.00 175.76 175.36 1y51 s THR 60 N -2.16 4.99 0.26 0.00 2.01 -1.26 -0.51 115.64 118.97 1y51 s THR 60 Ca 0.70 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.83 1y51 s THR 60 Cb -0.24 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 1y51 s THR 60 CO 0.42 0.47 -0.14 0.27 -0.69 0.00 0.00 174.62 174.94 1y51 s ILE 61 N 0.25 2.04 -0.08 1.82 -4.36 -0.23 -4.54 121.20 116.10 1y51 s ILE 61 Ca 0.05 -2.26 0.01 0.00 -0.26 0.00 0.00 60.65 58.19 1y51 s ILE 61 Cb -0.12 -2.28 0.02 0.00 1.25 0.00 0.00 42.46 41.33 1y51 s ILE 61 CO -0.00 -0.43 -0.09 -0.75 0.24 0.00 0.00 174.94 173.91 1y51 s LYS 62 N -3.61 1.48 -0.10 0.37 2.20 -0.52 -1.14 119.74 118.42 1y51 s LYS 62 Ca 0.28 -0.29 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1y51 s LYS 62 Cb -0.01 -1.38 -0.03 0.00 -1.51 0.00 0.00 37.83 34.89 1y51 s LYS 62 CO 0.12 -0.11 0.03 0.42 -0.36 0.00 0.00 175.35 175.45 1y51 s ILE 63 N 1.13 4.57 0.05 5.43 1.01 -0.03 -0.65 121.20 132.72 1y51 s ILE 63 Ca -0.06 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1y51 s ILE 63 Cb -0.14 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 1y51 s ILE 63 CO -0.02 0.60 -0.13 0.42 0.00 0.00 0.00 174.94 175.81 1y51 s THR 64 N -0.79 1.04 -0.02 2.92 -4.23 -0.85 -1.38 115.64 112.34 1y51 s THR 64 Ca 0.12 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1y51 s THR 64 Cb -0.12 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.75 1y51 s THR 64 CO 0.02 -0.13 0.04 0.00 -0.54 0.00 0.00 174.62 174.01 1y51 s ALA 65 N -1.07 -0.06 -0.11 3.99 0.00 -0.07 -1.00 121.76 123.45 1y51 s ALA 65 Ca -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1y51 s ALA 65 Cb -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1y51 s ALA 65 CO 0.02 -0.04 -0.07 -1.21 0.00 0.00 0.00 175.76 174.46 1y51 s GLU 66 N 0.25 1.44 0.00 0.00 8.01 0.09 -0.70 118.70 127.79 1y51 s GLU 66 Ca -0.02 -0.22 0.00 0.00 0.01 0.00 0.00 54.97 54.74 1y51 s GLU 66 Cb -0.03 -1.52 0.00 0.00 -4.31 0.00 0.00 34.13 28.27 1y51 s GLU 66 CO -0.01 -0.26 0.00 0.41 0.01 0.00 0.00 175.26 175.41 1y51 n GLY 67 N 4.93 -0.30 0.09 -1.39 0.00 -1.26 -1.28 105.19 105.98 1y51 n GLY 67 Ca -0.12 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1y51 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y51 n ALA 68 N -1.01 2.38 -1.40 4.61 0.00 -1.26 -2.35 120.51 121.48 1y51 n ALA 68 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 53.44 53.37 1y51 n ALA 68 Cb 0.00 -1.43 0.20 0.00 0.00 0.00 0.00 19.45 18.23 1y51 n ALA 68 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1y51 n ASP 69 N -2.15 2.49 -0.03 0.00 5.75 -1.26 -4.74 116.55 116.61 1y51 n ASP 69 Ca 0.05 -3.68 0.01 0.00 -0.01 0.00 0.00 54.79 51.17 1y51 n ASP 69 Cb 0.42 -0.60 0.31 0.00 -1.03 0.00 0.00 41.12 40.23 1y51 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y51 h ALA 70 N 1.03 1.44 -0.39 2.12 0.00 -1.81 -1.22 119.26 120.43 1y51 h ALA 70 Ca 0.15 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1y51 h ALA 70 Cb 1.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1y51 h ALA 70 CO 0.28 0.41 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 1y51 h ALA 71 N 1.55 0.54 -0.77 0.00 0.00 -1.85 -0.28 119.26 118.45 1y51 h ALA 71 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1y51 h ALA 71 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1y51 h ALA 71 CO -0.01 0.48 0.43 0.93 0.00 0.00 0.00 179.25 181.08 1y51 h GLU 72 N 0.61 1.07 -0.15 0.00 3.07 -1.83 -1.58 114.58 115.77 1y51 h GLU 72 Ca 0.09 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1y51 h GLU 72 Cb 0.72 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1y51 h GLU 72 CO 0.05 0.79 0.08 0.00 -1.40 0.00 0.00 179.01 178.53 1y51 h ALA 73 N 1.22 0.20 -0.67 3.43 0.00 -0.84 -1.14 119.26 121.45 1y51 h ALA 73 Ca 0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1y51 h ALA 73 Cb 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1y51 h ALA 73 CO -0.04 -0.25 0.10 1.98 0.00 0.00 0.00 179.25 181.04 1y51 h MET 74 N 0.13 1.11 -0.49 0.00 1.85 -0.84 -0.06 114.93 116.64 1y51 h MET 74 Ca 0.05 -0.30 -0.02 0.00 -0.61 0.00 0.00 59.70 58.82 1y51 h MET 74 Cb 0.10 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 31.98 1y51 h MET 74 CO -0.01 1.02 0.23 0.00 -0.40 0.00 0.00 176.91 177.76 1y51 h ALA 75 N 1.06 0.63 -0.61 0.39 0.00 -1.15 -0.32 119.26 119.26 1y51 h ALA 75 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1y51 h ALA 75 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1y51 h ALA 75 CO 0.01 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.62 1y51 h ALA 76 N 1.08 0.81 -0.52 0.00 0.00 -0.88 -0.58 119.26 119.16 1y51 h ALA 76 Ca 0.17 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1y51 h ALA 76 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1y51 h ALA 76 CO -0.02 0.50 -0.01 -0.07 0.00 0.00 0.00 179.25 179.65 1y51 h LEU 77 N 0.89 0.91 -0.56 0.00 3.38 -0.86 0.35 115.31 119.41 1y51 h LEU 77 Ca 0.19 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1y51 h LEU 77 Cb 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1y51 h LEU 77 CO -0.00 1.00 0.26 0.74 0.09 0.00 0.00 178.44 180.53 1y51 h THR 78 N 0.79 0.90 -0.42 0.22 2.02 -0.80 -0.17 112.91 115.44 1y51 h THR 78 Ca 0.15 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 67.11 1y51 h THR 78 Cb 0.54 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1y51 h THR 78 CO 0.03 0.09 0.07 0.44 0.37 0.00 0.00 175.52 176.52 1y51 h ASP 79 N 0.49 0.67 -0.61 4.18 3.32 -0.61 -1.83 116.42 122.04 1y51 h ASP 79 Ca 0.26 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1y51 h ASP 79 Cb 0.22 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1y51 h ASP 79 CO -0.21 0.75 0.23 0.74 -1.72 0.00 0.00 179.24 179.04 1y51 h THR 80 N 0.55 1.23 -0.65 0.35 2.02 -0.69 0.79 112.91 116.52 1y51 h THR 80 Ca 0.13 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.58 1y51 h THR 80 Cb 0.37 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 1y51 h THR 80 CO 0.01 0.29 0.43 -0.07 0.37 0.00 0.00 175.52 176.54 1y51 h LEU 81 N 0.85 0.74 -0.02 2.58 3.38 -0.82 -1.17 115.31 120.84 1y51 h LEU 81 Ca 0.20 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1y51 h LEU 81 Cb 0.22 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1y51 h LEU 81 CO -0.01 0.53 -0.06 0.00 0.09 0.00 0.00 178.44 178.98 1y51 h ALA 82 N 1.60 0.03 -0.13 1.53 0.00 -1.05 0.26 119.26 121.50 1y51 h ALA 82 Ca 0.24 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1y51 h ALA 82 Cb -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1y51 h ALA 82 CO -0.05 -0.10 -0.07 0.87 0.00 0.00 0.00 179.25 179.89 1y51 h LYS 83 N -0.52 0.19 -0.13 0.00 1.57 -0.50 -1.85 116.57 115.33 1y51 h LYS 83 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1y51 h LYS 83 Cb 0.70 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1y51 h LYS 83 CO 0.01 0.28 0.00 0.39 -0.57 0.00 0.00 179.45 179.56 1y51 n GLU 84 N -4.35 1.75 -2.41 3.15 -0.58 -0.47 -4.94 120.64 112.79 1y51 n GLU 84 Ca -0.01 -1.12 -0.18 0.00 -0.42 0.00 0.00 57.16 55.43 1y51 n GLU 84 Cb 0.21 -1.42 -0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 1.16 -0.36 0.13 0.62 0.00 -0.69 -4.94 105.19 101.11 1y51 n GLY 85 Ca 0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.65 2.43 -3.48 0.99 4.77 0.85 -3.21 117.00 116.70 1y51 n LEU 86 Ca -0.20 0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 1y51 n LEU 86 Cb 0.65 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 1y51 n LEU 86 CO 0.26 0.70 0.62 0.00 -1.33 0.00 0.00 177.39 177.65 1y51 s ALA 87 N -2.50 -1.77 0.00 -1.18 0.00 -0.92 -0.28 121.76 115.10 1y51 s ALA 87 Ca -0.31 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1y51 s ALA 87 Cb 0.09 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1y51 s ALA 87 CO 0.62 -0.71 0.00 -0.85 0.00 0.00 0.00 175.76 174.82