#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rwu n LYS 2 N 0.00 0.04 -0.04 0.03 4.81 -1.26 -5.10 118.16 116.64 1rwu n LYS 2 Ca 0.00 -0.08 -0.10 0.00 -0.87 0.00 0.00 58.31 57.26 1rwu n LYS 2 Cb 0.00 0.10 -0.03 0.00 0.02 0.00 0.00 35.03 35.11 1rwu n LYS 2 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1rwu n THR 3 N -0.02 0.87 -3.89 3.15 -1.04 -1.26 -3.41 114.28 108.67 1rwu n THR 3 Ca -0.00 -0.02 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 1rwu n THR 3 Cb 0.02 -1.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.71 1rwu n THR 3 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1rwu s LYS 4 N -2.27 0.75 -0.07 -2.82 2.47 -1.26 -4.29 119.74 112.25 1rwu s LYS 4 Ca -0.15 -0.90 0.19 0.00 -1.56 0.00 0.00 55.97 53.55 1rwu s LYS 4 Cb 0.05 0.30 0.65 0.00 -1.46 0.00 0.00 37.83 37.37 1rwu s LYS 4 CO 0.20 -0.22 1.55 1.28 0.16 0.00 0.00 175.35 178.32 1rwu n LEU 5 N 0.21 4.28 0.00 5.43 7.99 -1.26 -5.00 117.00 128.65 1rwu n LEU 5 Ca -0.16 -2.28 0.00 0.00 -0.01 0.00 0.00 56.01 53.56 1rwu n LEU 5 Cb 0.61 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 43.41 1rwu n LEU 5 CO 0.23 0.86 0.00 0.59 -1.51 0.00 0.00 177.39 177.56 1rwu n ASN 6 N 1.16 0.00 -1.26 -1.43 3.02 -1.26 -4.93 115.26 110.57 1rwu n ASN 6 Ca 0.24 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.95 1rwu n ASN 6 Cb 0.76 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.88 1rwu n ASN 6 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rwu n GLU 7 N 0.00 -2.60 -0.09 3.52 1.02 -1.26 -4.30 120.64 116.93 1rwu n GLU 7 Ca 0.00 1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 58.82 1rwu n GLU 7 Cb 0.00 -3.14 -0.15 0.00 -0.02 0.00 0.00 31.44 28.13 1rwu n GLU 7 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rwu n LEU 8 N -3.91 1.05 -0.11 -4.62 4.32 -1.26 -4.61 117.00 107.85 1rwu n LEU 8 Ca -0.01 0.03 -0.20 0.00 -0.02 0.00 0.00 56.01 55.81 1rwu n LEU 8 Cb 0.58 -0.01 -0.12 0.00 -1.62 0.00 0.00 43.42 42.25 1rwu n LEU 8 CO 0.01 0.62 -1.27 0.18 -1.22 0.00 0.00 177.39 175.71 1rwu n LEU 9 N -2.97 2.74 -3.31 2.23 4.32 -1.26 -5.04 117.00 113.72 1rwu n LEU 9 Ca -0.34 -0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.48 1rwu n LEU 9 Cb 1.09 -0.93 0.07 0.00 -1.62 0.00 0.00 43.42 42.03 1rwu n LEU 9 CO 0.39 0.85 0.02 1.21 -1.22 0.00 0.00 177.39 178.64 1rwu n GLU 10 N -3.48 -2.10 -3.31 3.23 4.07 -1.26 -4.95 120.64 112.83 1rwu n GLU 10 Ca -0.45 0.82 -0.42 0.00 -0.06 0.00 0.00 57.16 57.05 1rwu n GLU 10 Cb 0.97 -5.61 -0.09 0.00 -0.06 0.00 0.00 31.44 26.66 1rwu n GLU 10 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 1rwu s PHE 11 N -3.40 3.18 -0.19 4.31 5.36 -1.25 -4.93 117.98 121.07 1rwu s PHE 11 Ca 0.46 -0.05 -0.29 0.00 -0.96 0.00 0.00 56.93 56.08 1rwu s PHE 11 Cb -0.07 -2.85 -0.03 0.00 -0.34 0.00 0.00 43.02 39.73 1rwu s PHE 11 CO 0.76 -0.56 1.54 -1.25 -1.46 0.00 0.00 175.22 174.24 1rwu s PRO 12 N 2.21 3.95 0.02 10.12 0.04 -1.26 -4.19 135.00 145.89 1rwu s PRO 12 Ca 0.15 1.72 0.09 0.00 0.04 0.00 0.00 61.00 62.99 1rwu s PRO 12 Cb -0.16 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 1rwu s PRO 12 CO 0.13 -1.10 -0.25 -0.08 0.04 0.00 0.00 177.00 175.74 1rwu s THR 13 N 4.64 2.19 -0.01 1.26 -1.32 -0.83 -4.89 115.64 116.68 1rwu s THR 13 Ca 0.68 -1.27 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 1rwu s THR 13 Cb -0.25 -1.83 -0.05 0.00 -1.51 0.00 0.00 72.50 68.86 1rwu s THR 13 CO 0.26 0.44 1.35 -2.16 -2.21 0.00 0.00 174.62 172.30 1rwu s PRO 14 N -1.05 4.30 -0.45 7.08 0.04 -1.26 -3.13 135.00 140.53 1rwu s PRO 14 Ca 0.11 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.98 1rwu s PRO 14 Cb -0.10 -3.57 0.12 0.00 0.04 0.00 0.00 34.50 30.99 1rwu s PRO 14 CO 0.01 -0.54 0.28 -0.06 0.04 0.00 0.00 177.00 176.74 1rwu s PHE 15 N 2.34 3.52 -0.94 0.56 0.08 0.11 -4.94 117.98 118.70 1rwu s PHE 15 Ca 0.62 -2.21 -0.24 0.00 0.12 0.00 0.00 56.93 55.22 1rwu s PHE 15 Cb -0.30 -3.35 0.04 0.00 -0.57 0.00 0.00 43.02 38.84 1rwu s PHE 15 CO 0.25 -0.98 1.46 0.99 -0.10 0.00 0.00 175.22 176.85 1rwu s THR 16 N 1.15 3.83 -0.44 0.64 2.01 -1.26 -2.54 115.64 119.02 1rwu s THR 16 Ca 0.08 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.46 1rwu s THR 16 Cb -0.24 -4.92 0.04 0.00 0.01 0.00 0.00 72.50 67.39 1rwu s THR 16 CO -0.03 -1.82 0.36 -0.31 -0.69 0.00 0.00 174.62 172.12 1rwu s TYR 17 N 5.62 3.23 -0.96 4.92 1.51 -0.97 -4.85 117.35 125.86 1rwu s TYR 17 Ca 0.46 -0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 55.61 1rwu s TYR 17 Cb -0.02 -2.87 0.12 0.00 -0.11 0.00 0.00 41.96 39.07 1rwu s TYR 17 CO -0.03 -0.69 1.20 0.15 -1.11 0.00 0.00 175.55 175.07 1rwu s LYS 18 N 1.71 3.61 -0.46 -0.62 3.01 -1.26 -0.46 119.74 125.27 1rwu s LYS 18 Ca 0.05 -1.66 -0.27 0.00 -1.01 0.00 0.00 55.97 53.08 1rwu s LYS 18 Cb -0.21 -5.01 0.03 0.00 -1.01 0.00 0.00 37.83 31.62 1rwu s LYS 18 CO 0.09 -1.86 1.04 0.14 0.51 0.00 0.00 175.35 175.26 1rwu s VAL 19 N 3.12 4.34 0.21 3.17 -7.23 0.12 0.33 120.40 124.47 1rwu s VAL 19 Ca 0.36 1.03 0.07 0.00 -1.81 0.00 0.00 61.98 61.63 1rwu s VAL 19 Cb -0.04 -4.52 -0.04 0.00 0.56 0.00 0.00 36.38 32.34 1rwu s VAL 19 CO -0.09 -0.91 0.07 -0.04 -0.31 0.00 0.00 175.10 173.82 1rwu s MET 20 N 4.10 2.58 0.00 4.82 -1.94 -0.01 -1.97 119.30 126.89 1rwu s MET 20 Ca 0.43 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 1rwu s MET 20 Cb -0.09 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.35 1rwu s MET 20 CO 0.29 0.42 0.00 0.41 -0.01 0.00 0.00 175.02 176.13 1rwu n GLY 21 N -0.61 -0.84 3.77 -0.03 0.00 -0.86 0.65 105.19 107.28 1rwu n GLY 21 Ca -0.08 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.66 1rwu n GLY 21 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rwu s GLN 22 N -1.06 3.25 -0.28 1.61 -0.21 -0.89 -1.14 119.66 120.93 1rwu s GLN 22 Ca 0.00 1.58 -0.33 0.00 0.02 0.00 0.00 55.36 56.63 1rwu s GLN 22 Cb 0.00 -1.99 -0.10 0.00 1.00 0.00 0.00 33.01 31.92 1rwu s GLN 22 CO 0.00 -0.93 2.14 0.00 -2.12 0.00 0.00 175.29 174.39 1rwu n ALA 23 N -1.50 1.20 -3.56 6.09 0.00 -0.80 -4.50 120.51 117.44 1rwu n ALA 23 Ca 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1rwu n ALA 23 Cb 0.51 -2.63 -0.16 0.00 0.00 0.00 0.00 19.45 17.17 1rwu n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rwu s LEU 24 N 7.03 1.45 0.47 0.00 1.43 -1.26 -4.96 118.68 122.84 1rwu s LEU 24 Ca 1.05 -0.19 0.27 0.00 -1.03 0.00 0.00 54.13 54.22 1rwu s LEU 24 Cb -0.71 -0.59 0.89 0.00 0.03 0.00 0.00 46.19 45.80 1rwu s LEU 24 CO 0.46 -0.02 1.81 1.55 0.23 0.00 0.00 176.35 180.38 1rwu h PRO 25 N 7.10 0.00 -0.00 1.29 0.13 -2.05 -3.00 132.00 135.48 1rwu h PRO 25 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1rwu h PRO 25 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1rwu h PRO 25 CO 0.47 0.11 -0.03 -1.91 -0.23 0.00 0.00 178.00 176.42 1rwu n GLU 26 N -3.20 0.63 0.41 0.86 0.00 -1.26 -4.08 120.64 114.00 1rwu n GLU 26 Ca 0.01 -0.07 -0.18 0.00 0.00 0.00 0.00 57.16 56.92 1rwu n GLU 26 Cb 0.43 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.29 1rwu n GLU 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1rwu h LEU 27 N 0.18 -0.87 -1.81 4.31 7.12 -1.88 -1.11 115.31 121.26 1rwu h LEU 27 Ca 0.00 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 1rwu h LEU 27 Cb 0.25 0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1rwu h LEU 27 CO 0.00 -0.57 -0.11 -0.37 -0.13 0.00 0.00 178.44 177.27 1rwu h VAL 28 N -1.13 1.04 0.16 1.05 -1.51 -1.81 0.29 116.25 114.35 1rwu h VAL 28 Ca -0.11 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 64.99 1rwu h VAL 28 Cb 0.81 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1rwu h VAL 28 CO 0.17 0.11 -0.08 -0.78 -1.23 0.00 0.00 177.57 175.76 1rwu h ASP 29 N 0.00 -0.19 -0.06 4.19 3.58 -1.68 -2.22 116.42 120.05 1rwu h ASP 29 Ca -0.00 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 56.98 1rwu h ASP 29 Cb 0.19 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1rwu h ASP 29 CO 0.01 0.30 -0.38 -0.61 -2.88 0.00 0.00 179.24 175.68 1rwu h GLN 30 N -0.73 0.56 0.14 0.28 5.75 -1.09 -2.31 115.11 117.71 1rwu h GLN 30 Ca -0.02 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 1rwu h GLN 30 Cb 0.51 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1rwu h GLN 30 CO 0.04 0.85 -0.07 0.28 -2.65 0.00 0.00 178.83 177.29 1rwu h VAL 31 N 0.47 0.92 -0.15 2.39 2.07 -0.99 0.15 116.25 121.11 1rwu h VAL 31 Ca 0.05 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1rwu h VAL 31 Cb 0.87 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1rwu h VAL 31 CO 0.07 0.05 -0.28 1.62 0.02 0.00 0.00 177.57 179.05 1rwu h VAL 32 N -0.27 1.26 0.02 2.57 3.04 -1.40 -0.35 116.25 121.11 1rwu h VAL 32 Ca -0.02 -1.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.45 1rwu h VAL 32 Cb 0.22 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1rwu h VAL 32 CO 0.03 0.37 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.62 1rwu h GLU 33 N 0.25 -0.03 -0.02 4.17 3.07 -1.24 -2.28 114.58 118.50 1rwu h GLU 33 Ca 0.04 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 1rwu h GLU 33 Cb 0.63 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1rwu h GLU 33 CO 0.05 0.69 -0.38 -0.24 -1.40 0.00 0.00 179.01 177.73 1rwu h VAL 34 N -0.81 1.28 0.04 3.13 3.04 -0.73 -1.86 116.25 120.33 1rwu h VAL 34 Ca -0.00 -1.32 -0.26 0.00 -1.01 0.00 0.00 66.70 64.11 1rwu h VAL 34 Cb 0.73 1.69 0.02 0.00 -2.01 0.00 0.00 31.29 31.71 1rwu h VAL 34 CO 0.00 0.38 -1.07 1.62 -1.01 0.00 0.00 177.57 177.49 1rwu h VAL 35 N 0.03 1.33 0.00 1.51 3.04 -1.14 -3.14 116.25 117.89 1rwu h VAL 35 Ca 0.00 -2.42 -0.04 0.00 -1.01 0.00 0.00 66.70 63.23 1rwu h VAL 35 Cb 0.68 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 1rwu h VAL 35 CO 0.05 0.73 -0.17 0.06 -1.01 0.00 0.00 177.57 177.23 1rwu h GLN 36 N 0.29 0.00 -0.04 4.17 3.07 -1.30 0.13 115.11 121.43 1rwu h GLN 36 Ca -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 1rwu h GLN 36 Cb 1.73 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.29 1rwu h GLN 36 CO 0.20 0.17 -0.02 0.00 0.09 0.00 0.00 178.83 179.27 1rwu h ARG 37 N 0.00 0.08 0.08 0.06 3.08 -1.32 -3.35 114.38 113.01 1rwu h ARG 37 Ca -0.00 -0.03 -0.21 0.00 0.07 0.00 0.00 59.98 59.80 1rwu h ARG 37 Cb 0.84 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 1rwu h ARG 37 CO 0.02 0.48 -1.06 0.45 -1.07 0.00 0.00 179.97 178.79 1rwu h HIS 38 N -0.33 0.33 -4.17 3.04 3.86 -1.56 -3.38 115.15 112.94 1rwu h HIS 38 Ca 0.01 -0.24 -0.48 0.00 -1.16 0.00 0.00 60.37 58.50 1rwu h HIS 38 Cb 0.46 -0.01 0.04 0.00 1.06 0.00 0.00 27.41 28.95 1rwu h HIS 38 CO 0.07 1.41 0.38 0.00 0.86 0.00 0.00 177.93 180.65 1rwu s ALA 39 N -2.41 2.90 0.25 2.45 0.00 0.03 -4.58 121.76 120.40 1rwu s ALA 39 Ca -0.20 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.12 1rwu s ALA 39 Cb 0.03 -3.19 0.32 0.00 0.00 0.00 0.00 23.12 20.28 1rwu s ALA 39 CO 0.74 -0.48 1.64 -1.00 0.00 0.00 0.00 175.76 176.66 1rwu h PRO 40 N 0.83 0.44 0.00 0.00 0.13 -1.82 -3.42 132.00 128.17 1rwu h PRO 40 Ca -0.47 -0.21 -0.50 0.00 -0.87 0.00 0.00 66.00 63.94 1rwu h PRO 40 Cb 1.20 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1rwu h PRO 40 CO 0.59 0.76 -0.22 0.41 -0.23 0.00 0.00 178.00 179.31 1rwu n GLY 41 N -0.12 2.70 3.90 1.56 0.00 -1.26 -5.05 105.19 106.92 1rwu n GLY 41 Ca -0.01 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 1rwu n GLY 41 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rwu s ASP 42 N -3.89 6.46 0.29 1.61 1.01 -1.26 -4.20 116.67 116.68 1rwu s ASP 42 Ca 0.30 0.50 0.02 0.00 0.71 0.00 0.00 52.55 54.09 1rwu s ASP 42 Cb -0.02 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 1rwu s ASP 42 CO 0.19 0.13 0.14 -0.31 0.21 0.00 0.00 175.17 175.53 1rwu s TYR 43 N -1.53 1.56 0.05 4.23 2.02 -1.26 -4.99 117.35 117.43 1rwu s TYR 43 Ca 0.36 -1.31 -0.04 0.00 -0.37 0.00 0.00 57.07 55.72 1rwu s TYR 43 Cb -0.13 -0.86 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 1rwu s TYR 43 CO 0.24 -0.46 0.05 0.99 -1.57 0.00 0.00 175.55 174.79 1rwu s THR 44 N -3.67 0.16 -0.24 -0.71 2.01 -1.26 -4.25 115.64 107.68 1rwu s THR 44 Ca 0.36 -1.32 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 1rwu s THR 44 Cb 0.06 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 1rwu s THR 44 CO 0.16 -0.73 0.41 -2.16 -0.69 0.00 0.00 174.62 171.61 1rwu s PRO 45 N -3.04 4.08 -0.70 4.92 0.04 -1.26 -2.79 135.00 136.26 1rwu s PRO 45 Ca -0.01 0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.90 1rwu s PRO 45 Cb 0.01 -3.61 0.03 0.00 0.04 0.00 0.00 34.50 30.98 1rwu s PRO 45 CO -0.07 -0.20 1.24 0.99 0.04 0.00 0.00 177.00 179.00 1rwu s THR 46 N 1.83 3.82 0.29 1.26 2.01 0.11 -4.51 115.64 120.44 1rwu s THR 46 Ca 0.17 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 1rwu s THR 46 Cb -0.15 -4.86 -0.09 0.00 0.01 0.00 0.00 72.50 67.40 1rwu s THR 46 CO 0.09 -1.72 1.03 0.54 -0.69 0.00 0.00 174.62 173.87 1rwu s VAL 47 N 5.48 3.74 0.01 3.82 0.11 -1.26 -1.43 120.40 130.86 1rwu s VAL 47 Ca 0.36 1.67 -0.03 0.00 -2.93 0.00 0.00 61.98 61.04 1rwu s VAL 47 Cb -0.08 -4.03 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1rwu s VAL 47 CO 0.17 0.33 0.05 -1.59 -3.33 0.00 0.00 175.10 170.73 1rwu s LYS 48 N -1.57 0.38 -1.02 1.54 -2.85 0.84 -4.92 119.74 112.14 1rwu s LYS 48 Ca 0.46 -0.48 -0.23 0.00 -1.00 0.00 0.00 55.97 54.71 1rwu s LYS 48 Cb -0.28 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.65 1rwu s LYS 48 CO 0.35 -0.08 1.68 -1.25 0.10 0.00 0.00 175.35 176.15 1rwu s PRO 49 N -1.36 3.20 -0.20 1.78 0.04 -1.26 -2.38 135.00 134.82 1rwu s PRO 49 Ca -0.15 -0.92 -0.11 0.00 0.04 0.00 0.00 61.00 59.86 1rwu s PRO 49 Cb -0.08 -5.27 -0.20 0.00 0.04 0.00 0.00 34.50 28.99 1rwu s PRO 49 CO 0.00 -2.73 0.11 0.43 0.04 0.00 0.00 177.00 174.85 1rwu n SER 50 N 10.93 1.99 -4.66 6.66 7.64 -1.26 -4.97 113.62 129.95 1rwu n SER 50 Ca 0.38 0.24 -0.23 0.00 1.01 0.00 0.00 58.87 60.27 1rwu n SER 50 Cb 0.49 -0.82 -0.07 0.00 -1.01 0.00 0.00 64.21 62.80 1rwu n SER 50 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1rwu s SER 51 N -6.98 4.56 0.28 6.43 0.15 -1.26 -5.10 113.70 111.78 1rwu s SER 51 Ca -0.29 -0.68 0.01 0.00 0.70 0.00 0.00 55.95 55.69 1rwu s SER 51 Cb 0.08 -0.82 -0.04 0.00 -1.71 0.00 0.00 66.02 63.54 1rwu s SER 51 CO 0.64 -0.06 0.46 -0.54 1.20 0.00 0.00 173.24 174.93 1rwu s LYS 52 N -3.71 3.49 1.32 5.44 3.01 -1.26 -4.65 119.74 123.38 1rwu s LYS 52 Ca 0.33 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 54.85 1rwu s LYS 52 Cb -0.05 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 34.00 1rwu s LYS 52 CO 0.20 0.29 0.00 0.41 0.51 0.00 0.00 175.35 176.77 1rwu n GLY 53 N -1.34 0.86 2.88 -3.33 0.00 -1.26 -4.47 105.19 98.53 1rwu n GLY 53 Ca -0.06 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1rwu n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rwu n ASN 54 N 1.37 6.54 -3.80 1.61 5.15 -1.26 -4.95 115.26 119.92 1rwu n ASN 54 Ca 0.00 -3.42 -0.13 0.00 -0.60 0.00 0.00 54.58 50.43 1rwu n ASN 54 Cb 0.00 -1.28 -0.12 0.00 -0.53 0.00 0.00 39.78 37.85 1rwu n ASN 54 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1rwu s TYR 55 N -2.62 -0.22 -0.00 1.20 6.14 -1.26 -1.90 117.35 118.69 1rwu s TYR 55 Ca 0.35 0.54 -0.03 0.00 0.64 0.00 0.00 57.07 58.56 1rwu s TYR 55 Cb 0.09 0.07 -0.00 0.00 0.42 0.00 0.00 41.96 42.54 1rwu s TYR 55 CO 0.04 -0.11 0.06 -3.38 0.64 0.00 0.00 175.55 172.80 1rwu s HIS 56 N 0.17 0.08 -0.23 4.97 -3.43 -0.29 -4.51 115.29 112.05 1rwu s HIS 56 Ca -0.01 -0.16 0.02 0.00 -0.80 0.00 0.00 55.06 54.11 1rwu s HIS 56 Cb -0.02 -0.07 0.04 0.00 -1.43 0.00 0.00 32.58 31.10 1rwu s HIS 56 CO -0.00 -0.17 -0.14 -1.12 -2.00 0.00 0.00 174.74 171.30 1rwu s SER 57 N -0.95 3.93 0.06 7.38 0.01 -1.00 -2.02 113.70 121.10 1rwu s SER 57 Ca -0.10 -1.07 0.06 0.00 1.31 0.00 0.00 55.95 56.15 1rwu s SER 57 Cb -0.06 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1rwu s SER 57 CO 0.00 -0.11 -0.13 0.68 0.41 0.00 0.00 173.24 174.09 1rwu s VAL 58 N 1.19 3.15 -0.30 3.43 -7.23 -0.83 -0.11 120.40 119.69 1rwu s VAL 58 Ca -0.03 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 58.96 1rwu s VAL 58 Cb -0.17 -2.39 0.04 0.00 0.56 0.00 0.00 36.38 34.42 1rwu s VAL 58 CO -0.08 0.26 0.02 -0.55 -0.31 0.00 0.00 175.10 174.45 1rwu s SER 59 N -1.72 4.94 -0.13 4.85 0.15 -0.52 0.14 113.70 121.41 1rwu s SER 59 Ca 0.17 -1.14 -0.17 0.00 0.70 0.00 0.00 55.95 55.51 1rwu s SER 59 Cb -0.11 -1.76 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 1rwu s SER 59 CO 0.09 -0.25 0.44 -0.51 1.20 0.00 0.00 173.24 174.20 1rwu s ILE 60 N 1.32 5.21 0.15 6.45 1.10 0.39 0.04 121.20 135.86 1rwu s ILE 60 Ca -0.03 0.87 -0.27 0.00 -0.51 0.00 0.00 60.65 60.70 1rwu s ILE 60 Cb -0.19 -3.78 -0.07 0.00 0.15 0.00 0.00 42.46 38.57 1rwu s ILE 60 CO -0.00 0.33 0.85 -0.89 -2.11 0.00 0.00 174.94 173.12 1rwu s THR 61 N 0.63 4.39 -0.00 4.00 2.01 -1.12 -2.28 115.64 123.26 1rwu s THR 61 Ca 0.24 1.86 0.01 0.00 0.31 0.00 0.00 61.69 64.11 1rwu s THR 61 Cb -0.15 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.14 1rwu s THR 61 CO 0.09 0.44 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1rwu s ILE 62 N -0.71 0.31 -0.68 1.82 1.01 -1.05 -4.55 121.20 117.35 1rwu s ILE 62 Ca 0.40 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.94 1rwu s ILE 62 Cb -0.23 -0.27 0.26 0.00 0.01 0.00 0.00 42.46 42.23 1rwu s ILE 62 CO 0.28 0.09 0.83 -3.20 0.00 0.00 0.00 174.94 172.94 1rwu n ASN 63 N 3.03 4.08 -4.81 3.58 5.15 -1.26 0.07 115.26 125.10 1rwu n ASN 63 Ca -0.13 -3.46 -0.36 0.00 -0.60 0.00 0.00 54.58 50.03 1rwu n ASN 63 Cb 0.58 -0.73 -0.07 0.00 -0.53 0.00 0.00 39.78 39.04 1rwu n ASN 63 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rwu s ALA 64 N -2.57 3.79 -0.72 5.20 0.00 -1.18 -4.39 121.76 121.88 1rwu s ALA 64 Ca 0.39 -0.64 0.23 0.00 0.00 0.00 0.00 51.96 51.95 1rwu s ALA 64 Cb 0.15 -2.08 0.90 0.00 0.00 0.00 0.00 23.12 22.08 1rwu s ALA 64 CO -0.00 0.42 1.70 0.25 0.00 0.00 0.00 175.76 178.13 1rwu n THR 65 N 2.63 0.70 -4.26 0.00 -2.24 -1.26 -1.96 114.28 107.88 1rwu n THR 65 Ca -0.18 0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.51 1rwu n THR 65 Cb 0.54 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 1rwu n THR 65 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1rwu s HIS 66 N -3.15 1.42 0.06 4.78 2.46 -1.26 -3.80 115.29 115.80 1rwu s HIS 66 Ca 0.08 -0.62 0.20 0.00 0.47 0.00 0.00 55.06 55.19 1rwu s HIS 66 Cb 0.11 -0.72 0.60 0.00 -0.13 0.00 0.00 32.58 32.45 1rwu s HIS 66 CO 0.43 0.17 1.69 0.97 -2.47 0.00 0.00 174.74 175.53 1rwu h ILE 67 N 3.13 0.74 -0.04 0.89 6.09 -1.96 -3.10 117.51 123.26 1rwu h ILE 67 Ca -0.39 -1.55 -0.12 0.00 -1.37 0.00 0.00 64.86 61.44 1rwu h ILE 67 Cb 1.20 2.00 -0.01 0.00 0.47 0.00 0.00 36.82 40.48 1rwu h ILE 67 CO 0.56 0.34 -0.54 -0.08 -3.07 0.00 0.00 178.15 175.36 1rwu h GLU 68 N 0.00 0.11 0.24 2.19 4.22 -1.98 -1.93 114.58 117.43 1rwu h GLU 68 Ca -0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.36 1rwu h GLU 68 Cb 0.97 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1rwu h GLU 68 CO 0.04 0.63 -0.11 1.96 -2.18 0.00 0.00 179.01 179.35 1rwu h GLN 69 N 0.09 -0.31 0.00 1.92 4.20 -1.94 -2.14 115.11 116.92 1rwu h GLN 69 Ca -0.00 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1rwu h GLN 69 Cb 0.99 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1rwu h GLN 69 CO 0.08 -0.09 -0.32 -0.24 -0.67 0.00 0.00 178.83 177.58 1rwu h VAL 70 N -0.47 0.93 0.21 -0.54 3.04 -1.64 -2.37 116.25 115.41 1rwu h VAL 70 Ca -0.03 -1.25 -0.01 0.00 -1.01 0.00 0.00 66.70 64.39 1rwu h VAL 70 Cb 0.35 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1rwu h VAL 70 CO 0.05 0.32 -0.10 -0.08 -1.01 0.00 0.00 177.57 176.75 1rwu h GLU 71 N 0.00 -0.27 -0.44 4.17 4.22 -1.07 -1.32 114.58 119.86 1rwu h GLU 71 Ca -0.00 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.41 1rwu h GLU 71 Cb 0.72 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1rwu h GLU 71 CO 0.04 -0.11 0.07 1.79 -2.18 0.00 0.00 179.01 178.62 1rwu h THR 72 N -0.38 1.21 -0.82 0.32 1.35 -1.32 -2.31 112.91 110.96 1rwu h THR 72 Ca -0.03 -0.80 0.06 0.00 -0.55 0.00 0.00 66.41 65.09 1rwu h THR 72 Cb 0.29 0.80 -0.06 0.00 -1.73 0.00 0.00 68.15 67.46 1rwu h THR 72 CO 0.05 0.29 0.50 -0.07 -0.25 0.00 0.00 175.52 176.03 1rwu h LEU 73 N 0.65 0.79 -0.40 3.87 4.07 -1.02 0.25 115.31 123.53 1rwu h LEU 73 Ca 0.14 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 58.07 1rwu h LEU 73 Cb 0.31 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.88 1rwu h LEU 73 CO 0.00 0.51 0.07 0.22 -1.08 0.00 0.00 178.44 178.17 1rwu h TYR 74 N 0.92 0.69 -0.25 1.13 3.20 -0.72 -1.68 116.97 120.27 1rwu h TYR 74 Ca 0.35 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 62.06 1rwu h TYR 74 Cb 0.15 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1rwu h TYR 74 CO -0.04 0.68 -0.16 0.93 -1.64 0.00 0.00 178.16 177.94 1rwu h GLU 75 N 0.51 0.42 0.21 1.82 5.08 -0.90 0.33 114.58 122.05 1rwu h GLU 75 Ca 0.12 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1rwu h GLU 75 Cb 0.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1rwu h GLU 75 CO 0.01 0.58 -0.10 0.93 -1.00 0.00 0.00 179.01 179.42 1rwu h GLU 76 N 0.39 -0.27 0.00 2.33 3.07 -0.27 -2.71 114.58 117.12 1rwu h GLU 76 Ca 0.07 0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 1rwu h GLU 76 Cb 0.51 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1rwu h GLU 76 CO 0.03 0.11 -0.31 1.37 -1.40 0.00 0.00 179.01 178.82 1rwu h LEU 77 N -0.80 0.00 -4.31 1.33 8.10 -1.32 -3.14 115.31 115.17 1rwu h LEU 77 Ca -0.03 0.00 -0.69 0.00 0.11 0.00 0.00 57.88 57.28 1rwu h LEU 77 Cb 0.51 0.00 -0.31 0.00 -0.44 0.00 0.00 40.66 40.42 1rwu h LEU 77 CO 0.05 0.31 0.63 0.61 -4.11 0.00 0.00 178.44 175.92 1rwu n GLY 78 N 0.35 5.84 0.78 0.17 0.00 0.11 -4.48 105.19 107.97 1rwu n GLY 78 Ca 0.00 -2.43 0.08 0.00 0.00 0.00 0.00 46.02 43.67 1rwu n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rwu n LYS 79 N -0.75 1.89 -2.03 1.61 4.81 -1.02 -4.79 118.16 117.88 1rwu n LYS 79 Ca 0.56 -1.82 -0.38 0.00 -0.87 0.00 0.00 58.31 55.80 1rwu n LYS 79 Cb 0.57 -1.35 0.01 0.00 0.02 0.00 0.00 35.03 34.27 1rwu n LYS 79 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1rwu s ILE 80 N -1.24 2.59 0.30 3.15 1.09 -1.26 -4.89 121.20 120.94 1rwu s ILE 80 Ca 0.25 0.48 0.35 0.00 -1.10 0.00 0.00 60.65 60.63 1rwu s ILE 80 Cb 0.15 -3.26 0.39 0.00 -1.06 0.00 0.00 42.46 38.68 1rwu s ILE 80 CO 0.22 0.03 2.10 0.44 -0.10 0.00 0.00 174.94 177.62 1rwu h ASP 81 N 2.11 0.00 -3.89 3.58 5.19 -2.01 -3.44 116.42 117.96 1rwu h ASP 81 Ca -0.50 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.46 1rwu h ASP 81 Cb 1.26 0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.93 1rwu h ASP 81 CO 0.60 0.03 0.20 -0.63 -3.12 0.00 0.00 179.24 176.32 1rwu s ILE 82 N -3.87 1.99 -0.18 0.35 -1.09 -1.26 -4.88 121.20 112.26 1rwu s ILE 82 Ca -0.01 0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1rwu s ILE 82 Cb 0.11 -2.52 -0.05 0.00 -1.58 0.00 0.00 42.46 38.41 1rwu s ILE 82 CO 0.52 0.00 2.04 -0.69 -1.23 0.00 0.00 174.94 175.58 1rwu s VAL 83 N -3.01 3.15 0.29 2.92 1.01 -1.26 -4.95 120.40 118.55 1rwu s VAL 83 Ca 0.65 0.17 0.10 0.00 0.00 0.00 0.00 61.98 62.91 1rwu s VAL 83 Cb -0.18 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 1rwu s VAL 83 CO 0.57 -0.09 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 1rwu s ARG 84 N 5.66 1.66 0.15 2.72 1.04 -1.26 -2.10 118.95 126.82 1rwu s ARG 84 Ca 0.92 -1.79 -0.20 0.00 -1.04 0.00 0.00 55.73 53.61 1rwu s ARG 84 Cb -0.33 -1.62 0.06 0.00 -2.04 0.00 0.00 34.95 31.02 1rwu s ARG 84 CO 0.36 0.24 0.53 1.41 -0.04 0.00 0.00 175.30 177.80 1rwu s MET 85 N -3.57 1.21 0.03 3.89 1.75 0.21 -4.91 119.30 117.91 1rwu s MET 85 Ca 0.30 -0.57 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 1rwu s MET 85 Cb -0.02 0.55 -0.02 0.00 2.84 0.00 0.00 34.83 38.18 1rwu s MET 85 CO 0.14 -0.51 -0.09 0.54 -0.65 0.00 0.00 175.02 174.44 1rwu s VAL 86 N -3.77 0.69 0.00 10.11 0.11 -1.26 -0.83 120.40 125.45 1rwu s VAL 86 Ca 0.02 -0.87 0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1rwu s VAL 86 Cb -0.00 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1rwu s VAL 86 CO -0.12 -0.15 0.00 0.18 -3.33 0.00 0.00 175.10 171.68