#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b50 n LEU 2 N 0.00 3.45 -3.23 2.46 0.00 -1.26 -4.61 117.00 113.82 1b50 n LEU 2 Ca 0.00 -2.09 -0.40 0.00 0.00 0.00 0.00 56.01 53.53 1b50 n LEU 2 Cb 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 43.42 43.09 1b50 n LEU 2 CO 0.00 0.82 1.40 0.00 0.00 0.00 0.00 177.39 179.61 1b50 n ALA 3 N 0.88 6.21 -1.80 1.96 0.00 -1.26 -4.95 120.51 121.56 1b50 n ALA 3 Ca 0.17 -4.37 -0.20 0.00 0.00 0.00 0.00 53.44 49.05 1b50 n ALA 3 Cb 0.55 -1.99 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 1b50 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 s ALA 4 N -4.16 1.14 -0.14 0.00 0.00 -1.26 -4.25 121.76 113.10 1b50 s ALA 4 Ca 0.46 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1b50 s ALA 4 Cb 0.32 -4.57 0.02 0.00 0.00 0.00 0.00 23.12 18.89 1b50 s ALA 4 CO -0.27 -5.41 0.75 -0.40 0.00 0.00 0.00 175.76 170.42 1b50 n ASP 5 N 16.49 -0.48 -3.65 0.00 5.68 -1.26 -5.14 116.55 128.18 1b50 n ASP 5 Ca 0.44 -1.26 -0.01 0.00 -0.50 0.00 0.00 54.79 53.46 1b50 n ASP 5 Cb 0.45 0.45 -0.06 0.00 -1.14 0.00 0.00 41.12 40.82 1b50 n ASP 5 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1b50 s THR 6 N 0.01 0.00 0.00 2.12 2.01 -1.26 -5.17 115.64 113.34 1b50 s THR 6 Ca 0.01 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1b50 s THR 6 Cb 0.02 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.53 1b50 s THR 6 CO -0.00 0.00 0.00 -0.81 -0.69 0.00 0.00 174.62 173.12 1b50 n PRO 7 N 2.85 1.43 -3.24 4.92 -0.04 -1.26 -5.08 135.00 134.59 1b50 n PRO 7 Ca -0.16 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.12 1b50 n PRO 7 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1b50 n PRO 7 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1b50 s THR 8 N 0.00 3.63 -0.65 0.52 2.01 -1.26 -5.06 115.64 114.83 1b50 s THR 8 Ca 0.00 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 1b50 s THR 8 Cb 0.00 -3.25 0.17 0.00 0.01 0.00 0.00 72.50 69.43 1b50 s THR 8 CO 0.00 -0.11 0.58 0.00 -0.69 0.00 0.00 174.62 174.40 1b50 s ALA 9 N -2.29 3.78 -0.14 7.40 0.00 -1.26 -5.02 121.76 124.23 1b50 s ALA 9 Ca 0.49 -2.92 0.01 0.00 0.00 0.00 0.00 51.96 49.54 1b50 s ALA 9 Cb -0.10 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1b50 s ALA 9 CO 0.33 -2.11 -0.16 0.00 0.00 0.00 0.00 175.76 173.82 1b50 n PHE 12 N 6.69 0.00 -4.04 0.00 3.72 -1.26 -4.59 117.46 117.99 1b50 n PHE 12 Ca -0.00 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.08 1b50 n PHE 12 Cb 0.48 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.86 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1b50 s SER 13 N -1.70 4.40 0.56 4.37 0.01 -1.26 -5.11 113.70 114.96 1b50 s SER 13 Ca 0.07 -1.49 -0.01 0.00 1.31 0.00 0.00 55.95 55.83 1b50 s SER 13 Cb 0.08 -1.49 0.03 0.00 0.21 0.00 0.00 66.02 64.85 1b50 s SER 13 CO 0.35 -0.23 0.80 -0.31 0.41 0.00 0.00 173.24 174.26 1b50 s TYR 14 N 1.12 2.96 0.06 2.43 2.02 -1.26 -4.67 117.35 120.02 1b50 s TYR 14 Ca -0.05 0.15 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 1b50 s TYR 14 Cb -0.20 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1b50 s TYR 14 CO -0.06 -0.85 0.16 -0.08 -1.57 0.00 0.00 175.55 173.15 1b50 s THR 15 N -2.81 5.11 0.02 -0.71 -1.32 -1.26 -5.02 115.64 109.64 1b50 s THR 15 Ca 0.56 -0.48 -0.28 0.00 -1.21 0.00 0.00 61.69 60.28 1b50 s THR 15 Cb -0.10 -3.47 -0.16 0.00 -1.51 0.00 0.00 72.50 67.26 1b50 s THR 15 CO 0.40 0.16 1.17 0.28 -2.21 0.00 0.00 174.62 174.42 1b50 h SER 16 N 3.26 -0.86 -2.41 8.08 0.02 -2.01 -3.37 113.55 116.27 1b50 h SER 16 Ca -0.46 0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 59.99 1b50 h SER 16 Cb 1.16 0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.87 1b50 h SER 16 CO 0.72 -0.49 1.16 -0.13 -1.14 0.00 0.00 176.83 176.95 1b50 s ARG 17 N -4.84 3.07 0.00 3.45 0.52 -1.26 -4.98 118.95 114.90 1b50 s ARG 17 Ca -0.15 0.26 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1b50 s ARG 17 Cb 0.01 -4.22 0.00 0.00 0.52 0.00 0.00 34.95 31.26 1b50 s ARG 17 CO 0.44 -2.24 0.00 1.04 0.02 0.00 0.00 175.30 174.56 1b50 n GLN 18 N 9.07 0.15 -3.52 3.54 1.13 -1.26 -4.99 117.38 121.50 1b50 n GLN 18 Ca 0.11 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.90 1b50 n GLN 18 Cb 0.50 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.71 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1b50 s ILE 19 N -0.45 -0.09 1.19 5.09 -4.36 -1.26 -5.08 121.20 116.24 1b50 s ILE 19 Ca 0.00 -0.81 -0.16 0.00 -0.26 0.00 0.00 60.65 59.41 1b50 s ILE 19 Cb 0.00 -0.99 0.28 0.00 1.25 0.00 0.00 42.46 43.00 1b50 s ILE 19 CO 0.00 -0.72 1.04 -2.16 0.24 0.00 0.00 174.94 173.34 1b50 s PRO 20 N 2.03 -1.13 0.62 0.37 0.04 -1.26 -4.51 135.00 131.16 1b50 s PRO 20 Ca 0.10 0.35 0.35 0.00 0.04 0.00 0.00 61.00 61.84 1b50 s PRO 20 Cb -0.16 -1.57 1.97 0.00 0.04 0.00 0.00 34.50 34.78 1b50 s PRO 20 CO -0.33 -3.74 2.22 1.96 0.04 0.00 0.00 177.00 177.15 1b50 h GLN 21 N -2.62 0.00 0.00 4.56 1.08 -1.89 0.22 115.11 116.46 1b50 h GLN 21 Ca -0.52 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.51 1b50 h GLN 21 Cb 1.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.73 1b50 h GLN 21 CO 0.44 0.00 -0.79 -0.91 -0.95 0.00 0.00 178.83 176.62 1b50 h ASN 22 N 0.00 0.00 -0.65 1.46 2.35 -2.02 -3.10 115.58 113.63 1b50 h ASN 22 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1b50 h ASN 22 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1b50 h ASN 22 CO -0.00 0.79 0.00 0.49 -1.65 0.00 0.00 177.43 177.06 1b50 n PHE 23 N -3.42 0.95 -4.55 1.19 3.01 0.47 -4.89 117.46 110.22 1b50 n PHE 23 Ca 0.00 -0.52 -0.26 0.00 1.01 0.00 0.00 57.45 57.68 1b50 n PHE 23 Cb 0.81 -0.04 -0.08 0.00 -0.01 0.00 0.00 39.48 40.15 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1b50 s ILE 24 N -1.14 0.82 0.38 4.37 1.01 0.42 -3.85 121.20 123.21 1b50 s ILE 24 Ca 0.44 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1b50 s ILE 24 Cb 0.24 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.32 1b50 s ILE 24 CO 0.29 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.23 1b50 n ALA 25 N -0.95 0.72 -2.46 9.38 0.00 -1.19 -4.66 120.51 121.35 1b50 n ALA 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1b50 n ALA 25 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1b50 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n ALA 26 N -3.33 0.00 -3.21 0.00 0.00 -1.24 -4.93 120.51 107.80 1b50 n ALA 26 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1b50 n ALA 26 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1b50 n ALA 26 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1b50 n TYR 27 N -0.15 -0.91 0.00 0.00 4.11 -1.26 -3.55 117.16 115.40 1b50 n TYR 27 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 57.90 57.55 1b50 n TYR 27 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 39.34 39.51 1b50 n TYR 27 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.86 178.05 1b50 n PHE 28 N -0.17 0.00 -4.27 -3.48 3.72 -0.93 -4.83 117.46 107.49 1b50 n PHE 28 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 1b50 n PHE 28 Cb 0.14 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.62 1b50 n PHE 28 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1b50 n GLU 29 N -1.00 -1.74 0.00 -1.08 0.28 -1.26 -4.62 120.64 111.22 1b50 n GLU 29 Ca 0.00 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1b50 n GLU 29 Cb 0.00 -4.26 0.00 0.00 1.43 0.00 0.00 31.44 28.61 1b50 n GLU 29 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1b50 n THR 30 N -4.41 0.00 0.00 3.84 -2.24 -1.26 -4.40 114.28 105.82 1b50 n THR 30 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1b50 n THR 30 Cb 0.61 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1b50 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1b50 n SER 31 N -2.33 0.00 -1.93 3.42 7.64 -1.26 -4.86 113.62 114.30 1b50 n SER 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1b50 n SER 31 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1b50 n SER 31 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1b50 n SER 32 N 0.00 0.00 -0.14 6.43 2.88 -1.26 -4.89 113.62 116.64 1b50 n SER 32 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1b50 n SER 32 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1b50 n SER 32 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1b50 h GLN 33 N 0.00 0.65 -5.61 -1.46 4.15 -2.00 -3.37 115.11 107.46 1b50 h GLN 33 Ca 0.00 -0.16 -0.27 0.00 0.77 0.00 0.00 58.65 58.99 1b50 h GLN 33 Cb 0.00 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1b50 h GLN 33 CO 0.00 0.67 0.75 0.00 -1.93 0.00 0.00 178.83 178.32 1b50 n SER 35 N 14.58 0.57 -0.62 0.00 2.88 -1.26 -4.48 113.62 125.30 1b50 n SER 35 Ca 0.42 -0.15 -0.07 0.00 -1.33 0.00 0.00 58.87 57.73 1b50 n SER 35 Cb 0.47 -1.05 -0.01 0.00 -0.75 0.00 0.00 64.21 62.87 1b50 n SER 35 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1b50 n LYS 36 N 8.23 0.00 -0.03 -1.46 -0.00 -1.26 -4.89 118.16 118.75 1b50 n LYS 36 Ca 0.59 0.00 -0.00 0.00 -0.00 0.00 0.00 58.31 58.90 1b50 n LYS 36 Cb 0.18 -0.17 -0.00 0.00 -0.00 0.00 0.00 35.03 35.04 1b50 n LYS 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1b50 h PRO 37 N 0.27 0.00 0.00 -1.58 0.13 -1.83 -3.47 132.00 125.52 1b50 h PRO 37 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1b50 h PRO 37 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1b50 h PRO 37 CO 0.08 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 1b50 n GLY 38 N 1.87 -0.05 0.00 1.56 0.00 -1.25 -4.32 105.19 103.00 1b50 n GLY 38 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1b50 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b50 n VAL 39 N -3.29 0.00 -4.33 1.61 0.31 -0.88 -4.74 118.33 107.01 1b50 n VAL 39 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1b50 n VAL 39 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1b50 n VAL 39 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1b50 s ILE 40 N -2.00 2.94 0.31 2.52 1.01 -1.26 0.72 121.20 125.44 1b50 s ILE 40 Ca 0.00 -1.77 0.04 0.00 0.00 0.00 0.00 60.65 58.92 1b50 s ILE 40 Cb 0.00 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1b50 s ILE 40 CO 0.00 -0.11 0.06 -0.36 0.00 0.00 0.00 174.94 174.52 1b50 s PHE 41 N -1.69 1.91 -0.55 3.97 0.08 -1.20 -2.20 117.98 118.30 1b50 s PHE 41 Ca 0.24 -0.97 0.07 0.00 0.12 0.00 0.00 56.93 56.39 1b50 s PHE 41 Cb -0.09 -1.22 0.25 0.00 -0.57 0.00 0.00 43.02 41.40 1b50 s PHE 41 CO 0.14 -0.02 0.68 1.28 -0.10 0.00 0.00 175.22 177.19 1b50 n LEU 42 N -0.65 2.50 -3.98 -0.37 4.77 -1.23 -2.80 117.00 115.24 1b50 n LEU 42 Ca -0.02 -5.19 -0.18 0.00 -0.03 0.00 0.00 56.01 50.59 1b50 n LEU 42 Cb 0.66 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.67 1b50 n LEU 42 CO 0.42 2.08 -0.33 0.35 -1.33 0.00 0.00 177.39 178.57 1b50 n THR 43 N 0.99 0.00 0.23 -5.08 -2.24 -1.25 -3.18 114.28 103.75 1b50 n THR 43 Ca 0.27 -0.05 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1b50 n THR 43 Cb 0.46 -0.33 0.31 0.00 -2.10 0.00 0.00 70.33 68.66 1b50 n THR 43 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1b50 h LYS 44 N -2.25 0.00 -0.27 -0.78 1.79 -1.83 -2.84 116.57 110.40 1b50 h LYS 44 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 1b50 h LYS 44 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1b50 h LYS 44 CO 0.15 0.03 0.00 -2.13 -1.08 0.00 0.00 179.45 176.42 1b50 n ARG 45 N -3.11 1.47 -2.17 3.15 3.00 -1.26 -4.84 116.66 112.89 1b50 n ARG 45 Ca 0.03 -0.64 -0.20 0.00 -0.00 0.00 0.00 57.85 57.03 1b50 n ARG 45 Cb 0.48 -1.20 -0.03 0.00 0.00 0.00 0.00 32.46 31.70 1b50 n ARG 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1b50 n SER 46 N 0.03 -5.70 -4.43 6.15 3.41 -1.07 -4.93 113.62 107.08 1b50 n SER 46 Ca 0.06 0.12 -0.44 0.00 -0.26 0.00 0.00 58.87 58.35 1b50 n SER 46 Cb 0.19 -4.79 -0.07 0.00 -0.26 0.00 0.00 64.21 59.28 1b50 n SER 46 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1b50 s ARG 47 N -4.67 3.06 0.04 4.33 0.52 -1.26 -4.94 118.95 116.03 1b50 s ARG 47 Ca 0.00 -1.06 -0.33 0.00 -0.52 0.00 0.00 55.73 53.82 1b50 s ARG 47 Cb 0.00 -4.09 -0.12 0.00 0.52 0.00 0.00 34.95 31.26 1b50 s ARG 47 CO 0.00 -1.08 1.80 0.94 0.02 0.00 0.00 175.30 176.98 1b50 n GLN 48 N 5.68 2.37 0.00 3.54 0.00 -1.26 -3.93 117.38 123.77 1b50 n GLN 48 Ca -0.09 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.77 1b50 n GLN 48 Cb 0.45 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 27.98 1b50 n GLN 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1b50 n VAL 49 N 4.62 0.00 -3.96 1.69 0.31 -1.12 -4.92 118.33 114.95 1b50 n VAL 49 Ca 0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.40 1b50 n VAL 49 Cb 0.32 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.24 1b50 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b50 s ALA 51 N -2.57 -1.20 0.45 0.00 0.00 0.22 -4.66 121.76 114.00 1b50 s ALA 51 Ca 0.24 0.96 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 1b50 s ALA 51 Cb -0.03 -1.74 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 1b50 s ALA 51 CO 0.17 -1.30 -0.21 -0.25 0.00 0.00 0.00 175.76 174.18 1b50 n ASP 52 N 5.37 -3.05 -4.60 0.00 9.92 -1.26 -2.06 116.55 120.87 1b50 n ASP 52 Ca -0.03 0.39 -0.43 0.00 -0.53 0.00 0.00 54.79 54.18 1b50 n ASP 52 Cb 0.50 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 40.37 1b50 n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1b50 s PRO 53 N -0.90 3.51 -0.06 -0.24 0.04 -1.26 -3.69 135.00 132.40 1b50 s PRO 53 Ca 0.38 1.04 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 1b50 s PRO 53 Cb -0.30 -4.07 -0.00 0.00 0.04 0.00 0.00 34.50 30.17 1b50 s PRO 53 CO 0.50 -1.65 0.05 0.45 0.04 0.00 0.00 177.00 176.40 1b50 n SER 54 N 9.19 -2.30 -4.94 6.66 2.88 -1.26 -5.00 113.62 118.86 1b50 n SER 54 Ca 0.18 -0.03 -0.20 0.00 -1.33 0.00 0.00 58.87 57.49 1b50 n SER 54 Cb 0.48 -0.93 0.07 0.00 -0.75 0.00 0.00 64.21 63.07 1b50 n SER 54 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1b50 s GLU 55 N -3.06 2.22 -0.05 -1.46 2.02 -1.24 -5.00 118.70 112.13 1b50 s GLU 55 Ca 0.02 -1.42 0.16 0.00 0.02 0.00 0.00 54.97 53.74 1b50 s GLU 55 Cb -0.00 -2.57 -0.21 0.00 0.10 0.00 0.00 34.13 31.44 1b50 s GLU 55 CO 0.04 -0.93 0.54 -1.91 0.02 0.00 0.00 175.26 173.03 1b50 n GLU 56 N -2.35 0.65 0.00 1.61 4.07 -1.26 -3.28 120.64 120.07 1b50 n GLU 56 Ca 0.14 0.17 0.11 0.00 -0.06 0.00 0.00 57.16 57.52 1b50 n GLU 56 Cb 0.61 -1.71 0.00 0.00 -0.06 0.00 0.00 31.44 30.28 1b50 n GLU 56 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 1b50 n TRP 57 N -2.88 0.00 -0.12 4.31 4.27 -1.26 -4.25 117.44 117.52 1b50 n TRP 57 Ca -0.18 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.17 1b50 n TRP 57 Cb 0.99 -0.05 -0.11 0.00 -1.36 0.00 0.00 31.31 30.78 1b50 n TRP 57 CO 0.00 0.00 0.00 1.55 -2.29 0.00 0.00 177.69 176.95 1b50 n VAL 58 N -1.14 1.55 -0.45 -1.67 3.14 -1.26 -3.33 118.33 115.16 1b50 n VAL 58 Ca 0.06 -0.27 0.37 0.00 -2.96 0.00 0.00 64.34 61.54 1b50 n VAL 58 Cb 0.36 -1.91 0.68 0.00 -1.06 0.00 0.00 33.84 31.92 1b50 n VAL 58 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1b50 h GLN 59 N -0.87 0.10 -0.03 1.45 1.08 -1.75 1.24 115.11 116.33 1b50 h GLN 59 Ca -0.54 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 1b50 h GLN 59 Cb 1.54 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.95 1b50 h GLN 59 CO -0.29 0.07 -0.10 -0.22 -0.95 0.00 0.00 178.83 177.34 1b50 h LYS 60 N 0.10 0.11 0.06 1.46 3.64 -1.74 -0.85 116.57 119.35 1b50 h LYS 60 Ca 0.76 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 60.05 1b50 h LYS 60 Cb 2.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 34.41 1b50 h LYS 60 CO -0.24 0.73 -0.03 1.88 -2.27 0.00 0.00 179.45 179.52 1b50 h TYR 61 N -0.48 -0.07 0.00 1.91 0.05 0.11 -3.23 116.97 115.26 1b50 h TYR 61 Ca -0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1b50 h TYR 61 Cb 0.74 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.50 1b50 h TYR 61 CO 0.14 -0.05 0.12 0.28 -1.05 0.00 0.00 178.16 177.61 1b50 n VAL 62 N -3.12 1.24 -0.29 -2.88 0.31 0.29 -3.38 118.33 110.50 1b50 n VAL 62 Ca -0.01 0.61 -0.08 0.00 -0.01 0.00 0.00 64.34 64.85 1b50 n VAL 62 Cb 0.03 -1.61 -0.07 0.00 -0.91 0.00 0.00 33.84 31.28 1b50 n VAL 62 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1b50 n SER 63 N -1.74 -0.74 0.23 4.52 3.41 -0.32 0.57 113.62 119.54 1b50 n SER 63 Ca -0.01 1.45 0.14 0.00 -0.26 0.00 0.00 58.87 60.20 1b50 n SER 63 Cb 0.14 -0.27 0.41 0.00 -0.26 0.00 0.00 64.21 64.23 1b50 n SER 63 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1b50 h ASP 64 N 0.00 0.00 0.00 4.04 3.32 -1.80 -3.48 116.42 118.50 1b50 h ASP 64 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1b50 h ASP 64 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1b50 h ASP 64 CO -0.66 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.04 1b50 n LEU 65 N -2.98 0.00 0.00 1.55 4.77 0.19 -4.58 117.00 115.96 1b50 n LEU 65 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1b50 n LEU 65 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1b50 n LEU 65 CO 0.30 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.74 1b50 n GLU 66 N 0.00 0.00 -0.00 3.23 1.02 -1.26 -4.97 120.64 118.66 1b50 n GLU 66 Ca 0.00 0.20 -0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1b50 n GLU 66 Cb 0.00 -0.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.78 1b50 n GLU 66 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1b50 n LEU 67 N -1.91 0.04 0.00 -4.62 7.94 -1.26 -5.14 117.00 112.05 1b50 n LEU 67 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1b50 n LEU 67 Cb 0.00 -0.20 0.00 0.00 0.53 0.00 0.00 43.42 43.75 1b50 n LEU 67 CO 0.00 -0.50 0.00 -0.24 -1.11 0.00 0.00 177.39 175.54 1b50 n SER 68 N -2.54 0.00 -0.04 1.96 2.88 -1.26 -5.14 113.62 109.48 1b50 n SER 68 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1b50 n SER 68 Cb 0.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81