#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh2 n ALA 4 N 0.00 1.79 1.30 6.98 0.00 -1.26 -4.63 120.51 124.69 2wh2 n ALA 4 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2wh2 n ALA 4 Cb 0.00 0.18 0.25 0.00 0.00 0.00 0.00 19.45 19.87 2wh2 n ALA 4 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wh2 n TYR 5 N -1.66 0.26 0.12 0.00 4.02 -1.26 -3.74 117.16 114.89 2wh2 n TYR 5 Ca 0.00 -0.13 -0.20 0.00 -0.01 0.00 0.00 57.90 57.56 2wh2 n TYR 5 Cb 0.35 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.53 2wh2 n TYR 5 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 2wh2 h ASP 6 N 1.54 0.61 -0.46 7.72 3.32 -2.01 -3.36 116.42 123.77 2wh2 h ASP 6 Ca 0.00 -0.68 0.08 0.00 0.02 0.00 0.00 57.03 56.45 2wh2 h ASP 6 Cb 0.35 -0.20 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 2wh2 h ASP 6 CO 0.00 1.54 -0.41 0.58 -1.72 0.00 0.00 179.24 179.22 2wh2 h VAL 7 N 0.11 0.12 -3.42 -1.35 2.07 -1.88 -3.38 116.25 108.53 2wh2 h VAL 7 Ca -0.21 0.00 -0.52 0.00 0.82 0.00 0.00 66.70 66.79 2wh2 h VAL 7 Cb 2.07 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2wh2 h VAL 7 CO 0.23 0.00 0.53 -0.63 0.02 0.00 0.00 177.57 177.72 2wh2 s ILE 8 N -5.87 3.82 -0.16 4.57 1.09 -1.26 -2.28 121.20 121.11 2wh2 s ILE 8 Ca -0.15 1.47 -0.09 0.00 -1.10 0.00 0.00 60.65 60.78 2wh2 s ILE 8 Cb 0.13 -3.94 -0.07 0.00 -1.06 0.00 0.00 42.46 37.52 2wh2 s ILE 8 CO 0.66 0.20 -0.22 0.18 -0.10 0.00 0.00 174.94 175.66 2wh2 n LEU 9 N 2.91 1.26 -3.81 2.97 4.77 -0.15 -4.96 117.00 119.99 2wh2 n LEU 9 Ca 0.05 0.22 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 2wh2 n LEU 9 Cb 0.46 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2wh2 n LEU 9 CO 0.55 0.27 0.61 0.00 -1.33 0.00 0.00 177.39 177.48 2wh2 s ALA 10 N -2.34 -1.44 -0.29 -1.18 0.00 -1.09 -5.02 121.76 110.40 2wh2 s ALA 10 Ca -0.23 -0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 2wh2 s ALA 10 Cb 0.09 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2wh2 s ALA 10 CO 0.30 -1.04 0.48 -1.25 0.00 0.00 0.00 175.76 174.25 2wh2 s PRO 11 N -3.52 3.91 0.25 0.00 0.04 -1.26 -0.58 135.00 133.84 2wh2 s PRO 11 Ca 0.12 0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.95 2wh2 s PRO 11 Cb -0.04 -3.70 -0.12 0.00 0.04 0.00 0.00 34.50 30.68 2wh2 s PRO 11 CO 0.05 -0.43 1.64 1.55 0.04 0.00 0.00 177.00 179.85 2wh2 n VAL 12 N 5.23 0.54 -3.96 -0.36 3.14 -1.03 -4.79 118.33 117.10 2wh2 n VAL 12 Ca -0.05 -0.13 -0.31 0.00 -2.96 0.00 0.00 64.34 60.88 2wh2 n VAL 12 Cb 0.50 -1.93 -0.15 0.00 -1.06 0.00 0.00 33.84 31.20 2wh2 n VAL 12 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2wh2 s LEU 13 N 0.31 3.76 0.14 6.55 1.43 -1.26 -4.78 118.68 124.83 2wh2 s LEU 13 Ca 0.70 -1.79 -0.17 0.00 -1.03 0.00 0.00 54.13 51.83 2wh2 s LEU 13 Cb -0.52 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.34 2wh2 s LEU 13 CO 0.41 -0.34 0.45 -0.94 0.23 0.00 0.00 176.35 176.16 2wh2 s SER 14 N 1.14 -0.29 0.38 2.29 1.04 -1.26 -4.94 113.70 112.07 2wh2 s SER 14 Ca 0.05 -0.30 0.15 0.00 0.48 0.00 0.00 55.95 56.33 2wh2 s SER 14 Cb -0.19 0.51 1.01 0.00 0.10 0.00 0.00 66.02 67.45 2wh2 s SER 14 CO -0.10 -0.90 1.80 -0.33 0.98 0.00 0.00 173.24 174.68 2wh2 h GLU 15 N 2.28 0.47 -0.19 4.02 3.07 -1.98 0.60 114.58 122.85 2wh2 h GLU 15 Ca -0.33 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.30 2wh2 h GLU 15 Cb 1.27 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2wh2 h GLU 15 CO 0.44 0.31 -0.68 -0.22 -1.40 0.00 0.00 179.01 177.46 2wh2 h LYS 16 N 0.49 0.76 -0.64 2.33 3.64 -1.98 -1.31 116.57 119.85 2wh2 h LYS 16 Ca 0.55 -0.56 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 2wh2 h LYS 16 Cb 1.25 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.14 2wh2 h LYS 16 CO -0.28 1.18 0.15 0.00 -2.27 0.00 0.00 179.45 178.23 2wh2 h ALA 17 N 0.68 0.84 -0.25 5.00 0.00 -0.48 -2.79 119.26 122.26 2wh2 h ALA 17 Ca -0.02 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2wh2 h ALA 17 Cb 1.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2wh2 h ALA 17 CO 0.14 0.55 -0.39 1.88 0.00 0.00 0.00 179.25 181.43 2wh2 h TYR 18 N 0.94 0.69 0.00 0.00 0.05 -0.03 -2.07 116.97 116.56 2wh2 h TYR 18 Ca 0.20 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wh2 h TYR 18 Cb 0.36 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.95 2wh2 h TYR 18 CO 0.03 0.89 0.00 0.00 -1.05 0.00 0.00 178.16 178.03 2wh2 n ALA 19 N -2.50 1.22 0.19 3.88 0.00 -0.50 -0.73 120.51 122.07 2wh2 n ALA 19 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2wh2 n ALA 19 Cb 0.51 -1.11 0.39 0.00 0.00 0.00 0.00 19.45 19.24 2wh2 n ALA 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wh2 h GLY 20 N 0.81 0.00 -7.18 0.00 0.00 -1.31 -3.39 103.07 92.00 2wh2 h GLY 20 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2wh2 h GLY 20 CO 0.00 0.00 1.09 -1.36 0.00 0.00 0.00 176.54 176.27 2wh2 s PHE 21 N -3.97 2.29 0.00 5.60 2.99 0.09 -2.87 117.98 122.11 2wh2 s PHE 21 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 56.93 57.23 2wh2 s PHE 21 Cb 0.13 -4.47 0.00 0.00 0.00 0.00 0.00 43.02 38.68 2wh2 s PHE 21 CO 0.70 -1.97 0.00 0.00 -0.00 0.00 0.00 175.22 173.95 2wh2 n ALA 22 N 9.57 0.00 -2.16 5.36 0.00 -1.26 -5.05 120.51 126.97 2wh2 n ALA 22 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 2wh2 n ALA 22 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 2wh2 n ALA 22 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2wh2 s GLU 23 N 0.00 2.85 0.00 0.00 8.01 -1.18 -4.89 118.70 123.48 2wh2 s GLU 23 Ca 0.00 -0.43 -0.03 0.00 0.01 0.00 0.00 54.97 54.52 2wh2 s GLU 23 Cb 0.00 -2.45 -0.13 0.00 -4.31 0.00 0.00 34.13 27.25 2wh2 s GLU 23 CO 0.00 -0.54 2.03 0.41 0.01 0.00 0.00 175.26 177.17 2wh2 n GLY 24 N -2.32 2.01 3.18 -1.39 0.00 -1.26 -4.64 105.19 100.77 2wh2 n GLY 24 Ca 0.04 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 2wh2 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 25 N 1.79 3.59 -0.06 1.61 1.02 -1.14 -0.87 119.74 125.68 2wh2 s LYS 25 Ca 0.31 -3.28 -0.17 0.00 0.02 0.00 0.00 55.97 52.86 2wh2 s LYS 25 Cb 0.15 -4.16 -0.05 0.00 -0.52 0.00 0.00 37.83 33.25 2wh2 s LYS 25 CO 0.00 -1.26 0.46 0.71 -0.92 0.00 0.00 175.35 174.34 2wh2 s TYR 26 N -1.35 3.62 -0.04 3.18 1.51 -0.87 -3.67 117.35 119.73 2wh2 s TYR 26 Ca 0.29 0.96 0.02 0.00 -1.01 0.00 0.00 57.07 57.33 2wh2 s TYR 26 Cb -0.08 -2.45 0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2wh2 s TYR 26 CO -0.11 0.38 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.53 2wh2 s THR 27 N -0.16 0.89 0.15 -0.71 -1.32 -1.26 -0.18 115.64 113.05 2wh2 s THR 27 Ca 0.25 -0.38 -0.14 0.00 -1.21 0.00 0.00 61.69 60.21 2wh2 s THR 27 Cb -0.16 -0.81 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 2wh2 s THR 27 CO 0.12 0.29 0.39 0.72 -2.21 0.00 0.00 174.62 173.93 2wh2 s PHE 28 N 0.42 0.01 -0.06 9.09 -0.12 -0.59 -2.46 117.98 124.27 2wh2 s PHE 28 Ca -0.08 -0.36 -0.29 0.00 -0.05 0.00 0.00 56.93 56.15 2wh2 s PHE 28 Cb -0.12 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.40 2wh2 s PHE 28 CO 0.01 -0.76 1.84 -1.58 -0.05 0.00 0.00 175.22 174.68 2wh2 s TRP 29 N -3.87 1.63 0.47 3.49 0.52 0.25 -2.03 118.94 119.40 2wh2 s TRP 29 Ca 0.09 0.03 0.05 0.00 0.02 0.00 0.00 56.10 56.28 2wh2 s TRP 29 Cb 0.02 -4.06 0.05 0.00 -1.15 0.00 0.00 33.47 28.33 2wh2 s TRP 29 CO -0.06 -4.42 0.42 0.28 0.02 0.00 0.00 176.95 173.18 2wh2 n VAL 30 N 5.91 0.00 -2.89 4.03 0.31 0.73 -0.98 118.33 125.44 2wh2 n VAL 30 Ca 0.20 -1.80 -0.41 0.00 -0.01 0.00 0.00 64.34 62.31 2wh2 n VAL 30 Cb 0.43 -0.20 -0.04 0.00 -0.91 0.00 0.00 33.84 33.12 2wh2 n VAL 30 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2wh2 s HIS 31 N -2.26 3.49 0.36 3.52 2.46 -0.96 -4.02 115.29 117.88 2wh2 s HIS 31 Ca 0.32 1.33 0.15 0.00 0.47 0.00 0.00 55.06 57.33 2wh2 s HIS 31 Cb -0.03 -2.99 1.03 0.00 -0.13 0.00 0.00 32.58 30.46 2wh2 s HIS 31 CO 0.20 -0.14 1.73 -1.00 -2.47 0.00 0.00 174.74 173.06 2wh2 h PRO 32 N 7.12 0.43 -0.11 2.88 0.13 -1.92 0.23 132.00 140.75 2wh2 h PRO 32 Ca -0.34 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2wh2 h PRO 32 Cb 1.16 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2wh2 h PRO 32 CO 0.81 0.28 0.00 1.63 -0.23 0.00 0.00 178.00 180.49 2wh2 n LYS 33 N -4.80 1.23 -2.78 0.86 4.76 -1.26 -4.90 118.16 111.27 2wh2 n LYS 33 Ca 0.28 -0.35 -0.33 0.00 -2.87 0.00 0.00 58.31 55.03 2wh2 n LYS 33 Cb 0.88 -1.09 -0.06 0.00 -1.84 0.00 0.00 35.03 32.92 2wh2 n LYS 33 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh2 s ALA 34 N -1.86 3.03 0.25 7.82 0.00 0.07 -5.07 121.76 125.99 2wh2 s ALA 34 Ca 0.07 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2wh2 s ALA 34 Cb 0.03 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 2wh2 s ALA 34 CO 0.04 0.07 0.45 0.99 0.00 0.00 0.00 175.76 177.31 2wh2 s THR 35 N -2.12 5.16 -1.47 0.00 2.01 -1.26 -4.96 115.64 113.00 2wh2 s THR 35 Ca 0.62 -0.34 0.22 0.00 0.31 0.00 0.00 61.69 62.50 2wh2 s THR 35 Cb -0.11 -3.76 0.41 0.00 0.01 0.00 0.00 72.50 69.05 2wh2 s THR 35 CO 0.15 -0.28 1.72 2.29 -0.69 0.00 0.00 174.62 177.81 2wh2 n LYS 36 N -0.95 0.34 -0.07 4.92 2.85 -1.26 -2.02 118.16 121.97 2wh2 n LYS 36 Ca -0.04 0.07 -0.11 0.00 -1.05 0.00 0.00 58.31 57.18 2wh2 n LYS 36 Cb 0.54 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.34 2wh2 n LYS 36 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 2wh2 h THR 37 N 0.00 0.97 -0.65 0.58 2.02 -1.99 -3.05 112.91 110.80 2wh2 h THR 37 Ca 0.00 -1.82 0.14 0.00 0.77 0.00 0.00 66.41 65.50 2wh2 h THR 37 Cb 0.19 1.93 -0.10 0.00 -1.74 0.00 0.00 68.15 68.43 2wh2 h THR 37 CO 0.00 0.33 0.06 -0.33 0.37 0.00 0.00 175.52 175.95 2wh2 h GLU 38 N -1.00 0.16 0.05 6.66 5.08 -1.88 -2.01 114.58 121.65 2wh2 h GLU 38 Ca -0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wh2 h GLU 38 Cb 0.74 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2wh2 h GLU 38 CO -0.04 0.11 -0.36 0.82 -1.00 0.00 0.00 179.01 178.54 2wh2 h ILE 39 N 0.17 0.00 0.00 3.13 1.08 -1.52 0.14 117.51 120.51 2wh2 h ILE 39 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2wh2 h ILE 39 Cb 0.57 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 2wh2 h ILE 39 CO -0.52 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.11 2wh2 n LYS 40 N -4.47 0.00 -0.23 2.37 4.81 -0.78 0.13 118.16 120.00 2wh2 n LYS 40 Ca -0.05 0.73 -0.05 0.00 -0.87 0.00 0.00 58.31 58.06 2wh2 n LYS 40 Cb 0.27 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.16 2wh2 n LYS 40 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2wh2 h ASN 41 N 0.00 -1.26 -0.02 3.14 -0.26 -1.41 0.72 115.58 116.49 2wh2 h ASN 41 Ca 0.00 0.24 0.02 0.00 -0.56 0.00 0.00 56.30 56.00 2wh2 h ASN 41 Cb 0.00 0.62 -0.05 0.00 -1.06 0.00 0.00 38.32 37.84 2wh2 h ASN 41 CO 0.00 -0.31 -0.45 0.00 -1.06 0.00 0.00 177.43 175.61 2wh2 h ALA 42 N 0.99 -0.87 -0.52 -0.83 0.00 0.17 0.53 119.26 118.73 2wh2 h ALA 42 Ca 0.24 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.18 2wh2 h ALA 42 Cb 0.56 0.89 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 2wh2 h ALA 42 CO -0.73 -1.01 -0.14 0.28 0.00 0.00 0.00 179.25 177.65 2wh2 h VAL 43 N -0.56 0.46 -0.23 0.00 2.07 0.25 -2.68 116.25 115.56 2wh2 h VAL 43 Ca 0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2wh2 h VAL 43 Cb 0.60 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2wh2 h VAL 43 CO -0.31 0.00 -0.28 1.05 0.02 0.00 0.00 177.57 178.05 2wh2 h GLU 44 N -0.02 0.59 -0.82 1.57 4.11 -0.39 -0.71 114.58 118.91 2wh2 h GLU 44 Ca 0.25 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 59.35 2wh2 h GLU 44 Cb 0.39 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wh2 h GLU 44 CO -0.54 0.93 0.00 0.25 0.07 0.00 0.00 179.01 179.72 2wh2 n THR 45 N -4.34 0.17 -0.20 -1.06 -2.24 0.18 0.10 114.28 106.90 2wh2 n THR 45 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2wh2 n THR 45 Cb 0.46 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 2wh2 n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wh2 n ALA 46 N 0.33 0.00 -0.13 6.98 0.00 -1.12 -4.84 120.51 121.74 2wh2 n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh2 n ALA 46 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2wh2 n ALA 46 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wh2 n PHE 47 N 0.00 0.00 -3.58 0.00 3.01 -0.29 -5.04 117.46 111.56 2wh2 n PHE 47 Ca 0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 2wh2 n PHE 47 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 2wh2 n PHE 47 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2wh2 n LYS 48 N -0.39 -1.40 -3.67 -1.08 4.01 0.29 -5.00 118.16 110.91 2wh2 n LYS 48 Ca 0.00 0.93 -0.13 0.00 -0.51 0.00 0.00 58.31 58.59 2wh2 n LYS 48 Cb 0.03 -3.47 -0.07 0.00 -0.51 0.00 0.00 35.03 31.02 2wh2 n LYS 48 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 2wh2 s VAL 49 N -3.05 0.05 0.06 -0.18 -7.23 -1.25 -5.06 120.40 103.74 2wh2 s VAL 49 Ca 0.06 -0.41 -0.13 0.00 -1.81 0.00 0.00 61.98 59.68 2wh2 s VAL 49 Cb -0.02 -0.90 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 2wh2 s VAL 49 CO 0.85 -0.23 0.45 -0.75 -0.31 0.00 0.00 175.10 175.11 2wh2 s LYS 50 N -2.17 3.90 -0.18 4.82 2.20 -1.26 -4.39 119.74 122.67 2wh2 s LYS 50 Ca -0.07 0.38 -0.04 0.00 -0.36 0.00 0.00 55.97 55.88 2wh2 s LYS 50 Cb -0.01 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2wh2 s LYS 50 CO -0.00 0.60 -0.03 0.08 -0.36 0.00 0.00 175.35 175.64 2wh2 s VAL 51 N -1.26 3.84 -0.08 4.02 1.01 -1.26 -1.75 120.40 124.92 2wh2 s VAL 51 Ca 0.30 -0.36 0.20 0.00 0.00 0.00 0.00 61.98 62.11 2wh2 s VAL 51 Cb -0.16 -2.70 -0.30 0.00 0.00 0.00 0.00 36.38 33.22 2wh2 s VAL 51 CO 0.16 0.46 0.34 0.52 0.00 0.00 0.00 175.10 176.59 2wh2 n VAL 52 N 3.90 0.41 -3.70 2.92 0.31 0.28 -4.89 118.33 117.56 2wh2 n VAL 52 Ca -0.17 -0.58 -0.14 0.00 -0.01 0.00 0.00 64.34 63.43 2wh2 n VAL 52 Cb 0.52 -0.13 -0.09 0.00 -0.91 0.00 0.00 33.84 33.23 2wh2 n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2wh2 s LYS 53 N -3.15 0.68 -0.02 5.55 2.47 -1.23 -4.97 119.74 119.08 2wh2 s LYS 53 Ca -0.08 0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.61 2wh2 s LYS 53 Cb 0.11 0.32 0.02 0.00 -1.46 0.00 0.00 37.83 36.82 2wh2 s LYS 53 CO 0.84 -0.15 0.00 0.08 0.16 0.00 0.00 175.35 176.28 2wh2 s VAL 54 N -0.58 0.10 -0.04 4.02 1.01 -1.26 0.62 120.40 124.27 2wh2 s VAL 54 Ca -0.07 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2wh2 s VAL 54 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2wh2 s VAL 54 CO 0.04 0.09 -0.20 0.20 0.00 0.00 0.00 175.10 175.23 2wh2 s ASN 55 N 0.68 2.42 0.23 3.32 0.01 0.10 -5.00 114.94 116.70 2wh2 s ASN 55 Ca -0.06 -0.40 0.10 0.00 -0.71 0.00 0.00 52.86 51.79 2wh2 s ASN 55 Cb -0.09 -0.61 -0.05 0.00 0.41 0.00 0.00 41.25 40.91 2wh2 s ASN 55 CO -0.02 0.19 -0.17 0.42 -1.51 0.00 0.00 177.10 176.01 2wh2 s THR 56 N -0.09 2.05 -0.29 1.60 -4.23 -1.26 -0.87 115.64 112.55 2wh2 s THR 56 Ca -0.02 -2.23 -0.21 0.00 -1.18 0.00 0.00 61.69 58.05 2wh2 s THR 56 Cb -0.12 -2.11 0.17 0.00 1.34 0.00 0.00 72.50 71.79 2wh2 s THR 56 CO 0.02 -0.46 1.22 -1.48 -0.54 0.00 0.00 174.62 173.38 2wh2 s LEU 57 N -3.25 -0.23 0.47 4.79 -0.00 -0.73 -5.00 118.68 114.72 2wh2 s LEU 57 Ca 0.24 0.40 -0.18 0.00 -0.00 0.00 0.00 54.13 54.60 2wh2 s LEU 57 Cb -0.03 1.39 -0.09 0.00 -0.00 0.00 0.00 46.19 47.45 2wh2 s LEU 57 CO 0.10 -0.07 0.95 -1.00 -0.00 0.00 0.00 176.35 176.33 2wh2 s HIS 58 N 0.59 3.40 -0.46 3.48 3.76 -1.26 -1.18 115.29 123.62 2wh2 s HIS 58 Ca -0.01 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 2wh2 s HIS 58 Cb -0.04 -2.78 0.12 0.00 1.11 0.00 0.00 32.58 31.00 2wh2 s HIS 58 CO -0.12 -0.23 0.23 0.08 -0.85 0.00 0.00 174.74 173.85 2wh2 s VAL 59 N -2.41 2.98 -0.37 -0.90 1.01 0.24 -4.90 120.40 116.06 2wh2 s VAL 59 Ca 0.59 -2.60 -0.34 0.00 0.00 0.00 0.00 61.98 59.64 2wh2 s VAL 59 Cb -0.10 -3.06 -0.11 0.00 0.00 0.00 0.00 36.38 33.12 2wh2 s VAL 59 CO 0.24 -0.73 2.23 -1.14 0.00 0.00 0.00 175.10 175.69 2wh2 n ARG 60 N 3.95 1.12 -1.72 2.72 3.00 -1.26 -2.70 116.66 121.78 2wh2 n ARG 60 Ca 0.03 0.29 -0.42 0.00 -0.00 0.00 0.00 57.85 57.74 2wh2 n ARG 60 Cb 0.39 -2.56 -0.01 0.00 0.00 0.00 0.00 32.46 30.28 2wh2 n ARG 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wh2 n GLY 61 N 6.44 0.81 3.77 5.14 0.00 -1.25 -4.95 105.19 115.15 2wh2 n GLY 61 Ca 0.41 0.35 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 2wh2 n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 62 N -1.65 4.17 -0.30 1.61 -0.14 -1.26 -4.65 119.74 117.50 2wh2 s LYS 62 Ca 0.57 1.76 -0.11 0.00 -1.36 0.00 0.00 55.97 56.83 2wh2 s LYS 62 Cb -0.55 -2.72 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 2wh2 s LYS 62 CO 0.60 -0.20 0.18 -1.59 -0.76 0.00 0.00 175.35 173.58 2wh2 s LYS 63 N -2.22 3.59 0.19 1.68 -2.85 -1.26 -0.49 119.74 118.37 2wh2 s LYS 63 Ca 0.55 -0.56 0.02 0.00 -1.00 0.00 0.00 55.97 54.99 2wh2 s LYS 63 Cb -0.29 -3.64 0.02 0.00 -2.06 0.00 0.00 37.83 31.87 2wh2 s LYS 63 CO 0.36 -0.33 0.19 1.63 0.10 0.00 0.00 175.35 177.30 2wh2 n LYS 64 N 5.03 1.09 -3.60 1.78 4.76 -1.11 -4.91 118.16 121.21 2wh2 n LYS 64 Ca -0.14 -1.16 -0.02 0.00 -2.87 0.00 0.00 58.31 54.13 2wh2 n LYS 64 Cb 0.50 0.05 -0.06 0.00 -1.84 0.00 0.00 35.03 33.69 2wh2 n LYS 64 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 2wh2 s ARG 65 N -2.83 0.41 -0.14 1.97 3.52 -1.26 -0.99 118.95 119.63 2wh2 s ARG 65 Ca 0.14 0.79 -0.03 0.00 -0.13 0.00 0.00 55.73 56.51 2wh2 s ARG 65 Cb -0.01 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.56 2wh2 s ARG 65 CO 0.09 -0.10 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.25 2wh2 s LEU 66 N 1.69 3.14 0.00 -0.88 0.20 -1.01 -4.98 118.68 116.84 2wh2 s LEU 66 Ca -0.08 -0.15 0.00 0.00 0.69 0.00 0.00 54.13 54.59 2wh2 s LEU 66 Cb -0.05 -1.74 0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2wh2 s LEU 66 CO -0.16 0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.70 2wh2 n GLY 67 N 3.38 2.61 0.03 7.98 0.00 -1.26 -1.36 105.19 116.57 2wh2 n GLY 67 Ca -0.18 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.66 2wh2 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wh2 n ARG 68 N 14.00 0.20 -2.65 1.61 -4.01 -1.26 -4.74 116.66 119.81 2wh2 n ARG 68 Ca 0.00 -0.06 -0.42 0.00 -1.04 0.00 0.00 57.85 56.33 2wh2 n ARG 68 Cb 0.00 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 27.89 2wh2 n ARG 68 CO 0.00 0.00 0.00 0.71 -3.04 0.00 0.00 177.63 175.30 2wh2 s TYR 69 N -2.84 2.42 0.12 2.89 1.51 -0.47 -5.00 117.35 115.98 2wh2 s TYR 69 Ca 0.18 -0.23 -0.25 0.00 -1.01 0.00 0.00 57.07 55.75 2wh2 s TYR 69 Cb 0.19 -4.52 -0.07 0.00 -0.11 0.00 0.00 41.96 37.45 2wh2 s TYR 69 CO 0.56 -1.94 0.78 -1.17 -1.11 0.00 0.00 175.55 172.68 2wh2 s LEU 70 N 5.17 4.54 0.00 -1.29 0.20 -1.26 -2.41 118.68 123.63 2wh2 s LEU 70 Ca 0.31 1.58 0.00 0.00 0.69 0.00 0.00 54.13 56.72 2wh2 s LEU 70 Cb -0.11 -3.29 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 2wh2 s LEU 70 CO 0.13 0.12 0.00 0.61 -0.29 0.00 0.00 176.35 176.92 2wh2 n GLY 71 N 1.92 3.70 3.34 7.98 0.00 -0.17 -4.99 105.19 116.98 2wh2 n GLY 71 Ca -0.04 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 2wh2 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh2 s LYS 72 N 0.54 0.68 0.55 1.61 1.02 -1.26 -2.76 119.74 120.12 2wh2 s LYS 72 Ca 0.00 0.25 -0.10 0.00 0.02 0.00 0.00 55.97 56.14 2wh2 s LYS 72 Cb 0.00 0.32 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 2wh2 s LYS 72 CO 0.00 -0.16 0.92 1.03 -0.92 0.00 0.00 175.35 176.23 2wh2 s ARG 73 N -0.63 3.63 0.88 1.68 0.52 0.35 -4.87 118.95 120.51 2wh2 s ARG 73 Ca -0.07 0.57 -0.11 0.00 -0.52 0.00 0.00 55.73 55.60 2wh2 s ARG 73 Cb -0.03 -2.21 0.12 0.00 0.52 0.00 0.00 34.95 33.35 2wh2 s ARG 73 CO 0.04 -0.38 1.11 -1.25 0.02 0.00 0.00 175.30 174.84 2wh2 s PRO 74 N -4.81 1.35 0.20 3.54 0.04 -1.26 -4.42 135.00 129.63 2wh2 s PRO 74 Ca 0.53 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2wh2 s PRO 74 Cb -0.11 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2wh2 s PRO 74 CO 0.47 -2.30 0.55 -0.51 0.04 0.00 0.00 177.00 175.25 2wh2 s ASP 75 N -3.05 6.70 0.08 6.66 1.11 -1.26 -3.86 116.67 123.06 2wh2 s ASP 75 Ca 0.64 0.99 0.02 0.00 0.18 0.00 0.00 52.55 54.38 2wh2 s ASP 75 Cb -0.20 -2.25 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 2wh2 s ASP 75 CO 0.58 -0.01 -0.07 -0.13 1.18 0.00 0.00 175.17 176.72 2wh2 s ARG 76 N -2.48 0.75 -0.24 8.23 3.00 -1.10 -4.94 118.95 122.17 2wh2 s ARG 76 Ca 0.44 -1.19 -0.04 0.00 0.00 0.00 0.00 55.73 54.94 2wh2 s ARG 76 Cb -0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 34.95 34.60 2wh2 s ARG 76 CO 0.20 -0.00 -0.01 0.21 0.00 0.00 0.00 175.30 175.70 2wh2 s LYS 77 N -3.26 3.31 0.00 3.54 2.20 -1.26 0.82 119.74 125.10 2wh2 s LYS 77 Ca 0.06 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 54.88 2wh2 s LYS 77 Cb 0.01 -3.10 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 2wh2 s LYS 77 CO -0.04 -0.26 0.35 0.21 -0.36 0.00 0.00 175.35 175.26 2wh2 s LYS 78 N 1.48 3.77 -0.13 4.03 2.20 -0.32 -0.19 119.74 130.58 2wh2 s LYS 78 Ca 0.05 0.22 -0.05 0.00 -0.36 0.00 0.00 55.97 55.82 2wh2 s LYS 78 Cb -0.15 -3.14 0.06 0.00 -1.51 0.00 0.00 37.83 33.09 2wh2 s LYS 78 CO -0.02 0.67 0.28 0.00 -0.36 0.00 0.00 175.35 175.92 2wh2 s ALA 79 N -1.18 -0.64 -0.13 3.13 0.00 -0.86 -1.77 121.76 120.31 2wh2 s ALA 79 Ca 0.25 1.05 -0.05 0.00 0.00 0.00 0.00 51.96 53.21 2wh2 s ALA 79 Cb -0.15 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2wh2 s ALA 79 CO 0.13 -0.47 0.05 0.96 0.00 0.00 0.00 175.76 176.43 2wh2 s ILE 80 N 1.96 4.69 0.15 0.00 -4.36 -0.05 -1.55 121.20 122.04 2wh2 s ILE 80 Ca -0.03 -0.09 0.09 0.00 -0.26 0.00 0.00 60.65 60.36 2wh2 s ILE 80 Cb -0.11 -3.04 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 2wh2 s ILE 80 CO -0.09 0.55 -0.14 0.68 0.24 0.00 0.00 174.94 176.18 2wh2 s VAL 81 N -0.39 2.99 -0.17 8.37 -7.23 0.75 -0.72 120.40 124.01 2wh2 s VAL 81 Ca 0.09 -1.61 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2wh2 s VAL 81 Cb -0.12 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.37 2wh2 s VAL 81 CO 0.02 -0.02 -0.07 -1.58 -0.31 0.00 0.00 175.10 173.14 2wh2 s GLN 82 N -2.51 3.47 -0.16 4.82 2.00 0.20 -2.04 119.66 125.44 2wh2 s GLN 82 Ca 0.22 -0.62 -0.05 0.00 -2.00 0.00 0.00 55.36 52.91 2wh2 s GLN 82 Cb -0.10 -2.84 -0.03 0.00 0.80 0.00 0.00 33.01 30.84 2wh2 s GLN 82 CO 0.13 0.09 0.02 0.14 -0.50 0.00 0.00 175.29 175.16 2wh2 s VAL 83 N 0.72 4.39 0.20 1.34 -7.23 -0.05 0.99 120.40 120.76 2wh2 s VAL 83 Ca -0.04 -0.18 -0.15 0.00 -1.81 0.00 0.00 61.98 59.80 2wh2 s VAL 83 Cb -0.15 -2.95 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 2wh2 s VAL 83 CO 0.02 0.49 0.18 0.00 -0.31 0.00 0.00 175.10 175.48 2wh2 n ALA 84 N 3.37 -2.31 -1.59 1.32 0.00 -0.72 -4.46 120.51 116.12 2wh2 n ALA 84 Ca -0.17 0.16 -0.49 0.00 0.00 0.00 0.00 53.44 52.94 2wh2 n ALA 84 Cb 0.52 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 2wh2 n ALA 84 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wh2 n PRO 85 N 0.76 1.27 0.00 0.00 -0.04 -1.26 -1.09 135.00 134.64 2wh2 n PRO 85 Ca 0.09 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 2wh2 n PRO 85 Cb 0.21 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 2wh2 n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wh2 n GLY 86 N 2.20 2.95 3.50 0.55 0.00 -1.26 -5.04 105.19 108.09 2wh2 n GLY 86 Ca 0.16 -0.69 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 2wh2 n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh2 n GLN 87 N 0.00 -1.29 -3.60 1.61 1.13 -0.25 -5.04 117.38 109.94 2wh2 n GLN 87 Ca 0.00 -0.33 0.00 0.00 -1.94 0.00 0.00 57.00 54.73 2wh2 n GLN 87 Cb 0.00 -2.12 -0.06 0.00 0.11 0.00 0.00 30.24 28.17 2wh2 n GLN 87 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2wh2 s LYS 88 N -4.22 0.21 -0.34 -1.09 2.20 -1.26 -4.90 119.74 110.34 2wh2 s LYS 88 Ca 0.64 0.38 -0.26 0.00 -0.36 0.00 0.00 55.97 56.38 2wh2 s LYS 88 Cb -0.22 0.07 0.01 0.00 -1.51 0.00 0.00 37.83 36.18 2wh2 s LYS 88 CO 0.63 -0.05 0.93 0.42 -0.36 0.00 0.00 175.35 176.92 2wh2 s ILE 89 N 1.34 4.62 0.07 5.43 -1.09 -1.26 -4.94 121.20 125.37 2wh2 s ILE 89 Ca -0.08 1.34 -0.21 0.00 -2.23 0.00 0.00 60.65 59.47 2wh2 s ILE 89 Cb -0.03 -4.30 -0.11 0.00 -1.58 0.00 0.00 42.46 36.44 2wh2 s ILE 89 CO -0.13 -0.44 1.56 -0.33 -1.23 0.00 0.00 174.94 174.37 2wh2 h GLU 90 N 8.27 0.28 -0.57 2.79 4.39 -2.00 -3.17 114.58 124.57 2wh2 h GLU 90 Ca -0.23 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.48 2wh2 h GLU 90 Cb 1.08 -0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.59 2wh2 h GLU 90 CO 0.97 0.42 -0.50 0.00 -1.16 0.00 0.00 179.01 178.74 2wh2 h ALA 91 N 0.84 -0.51 0.00 3.43 0.00 -2.01 0.22 119.26 121.23 2wh2 h ALA 91 Ca 0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wh2 h ALA 91 Cb 0.27 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wh2 h ALA 91 CO 0.00 -0.92 0.00 1.28 0.00 0.00 0.00 179.25 179.61 2wh2 n LEU 92 N -5.38 0.00 0.12 0.00 4.77 -1.24 -3.41 117.00 111.87 2wh2 n LEU 92 Ca -0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2wh2 n LEU 92 Cb 0.34 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wh2 n LEU 92 CO -0.02 0.00 0.37 -0.33 -1.33 0.00 0.00 177.39 176.08 2wh2 h GLU 93 N 0.00 0.00 0.16 3.23 4.39 -0.52 -3.36 114.58 118.47 2wh2 h GLU 93 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2wh2 h GLU 93 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2wh2 h GLU 93 CO 0.00 0.54 -0.07 0.78 -1.16 0.00 0.00 179.01 179.10 2wh2 h GLY 94 N 3.46 -0.22 0.00 -3.84 0.00 -1.67 -3.52 103.07 97.29 2wh2 h GLY 94 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2wh2 h GLY 94 CO 0.07 -0.08 0.00 -0.10 0.00 0.00 0.00 176.54 176.43