#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b50 h LEU 2 N 0.00 0.00 -2.59 -3.43 3.38 -2.12 -3.47 115.31 107.07 1b50 h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b50 h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1b50 h LEU 2 CO 0.00 0.22 -0.52 0.00 0.09 0.00 0.00 178.44 178.23 1b50 n ALA 3 N -2.29 -1.52 -1.66 1.53 0.00 -1.26 -4.72 120.51 110.59 1b50 n ALA 3 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1b50 n ALA 3 Cb 0.35 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.41 1b50 n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n ALA 4 N 1.49 0.81 0.00 0.00 0.00 -1.26 -4.91 120.51 116.64 1b50 n ALA 4 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1b50 n ALA 4 Cb 0.26 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1b50 n ALA 4 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1b50 n ASP 5 N 0.47 0.00 -3.65 0.00 2.03 -1.26 -5.16 116.55 108.98 1b50 n ASP 5 Ca 0.07 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.36 1b50 n ASP 5 Cb 0.38 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 1b50 n ASP 5 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1b50 s THR 6 N 0.00 0.00 0.00 5.18 2.01 -1.26 -5.17 115.64 116.40 1b50 s THR 6 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1b50 s THR 6 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 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 2.27 1.31 -3.07 4.92 -0.04 -1.26 -5.06 135.00 134.07 1b50 n PRO 7 Ca -0.13 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.14 1b50 n PRO 7 Cb 0.57 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1b50 n PRO 7 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1b50 n THR 8 N -0.07 -0.46 -1.53 0.52 -1.04 -1.26 -5.06 114.28 105.38 1b50 n THR 8 Ca 0.00 -3.39 -0.24 0.00 -2.04 0.00 0.00 64.05 58.38 1b50 n THR 8 Cb 0.00 -0.87 -0.13 0.00 -1.82 0.00 0.00 70.33 67.51 1b50 n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b50 n ALA 9 N 1.32 0.66 -1.77 2.41 0.00 -1.26 -4.84 120.51 117.03 1b50 n ALA 9 Ca 0.18 -0.98 -0.36 0.00 0.00 0.00 0.00 53.44 52.28 1b50 n ALA 9 Cb 0.57 -2.84 -0.01 0.00 0.00 0.00 0.00 19.45 17.18 1b50 n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b50 n PHE 12 N 3.61 -1.08 -2.88 0.00 3.72 -1.26 -4.66 117.46 114.90 1b50 n PHE 12 Ca -0.07 0.19 -0.43 0.00 -0.05 0.00 0.00 57.45 57.10 1b50 n PHE 12 Cb 0.52 0.62 -0.05 0.00 -0.94 0.00 0.00 39.48 39.63 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1b50 s SER 13 N -4.80 6.52 0.00 4.37 1.04 -1.26 -4.99 113.70 114.57 1b50 s SER 13 Ca 0.00 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1b50 s SER 13 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1b50 s SER 13 CO 0.00 -0.92 0.00 -1.22 0.98 0.00 0.00 173.24 172.08 1b50 n TYR 14 N 6.84 0.00 0.00 5.02 4.01 -1.26 -2.62 117.16 129.15 1b50 n TYR 14 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1b50 n TYR 14 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 1b50 n TYR 14 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1b50 n THR 15 N 0.00 0.00 -2.59 -0.72 -2.24 -0.95 -4.08 114.28 103.71 1b50 n THR 15 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1b50 n THR 15 Cb 0.00 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.27 1b50 n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1b50 n SER 16 N 0.00 -5.07 -2.00 3.42 7.64 -1.26 -4.59 113.62 111.77 1b50 n SER 16 Ca 0.00 -0.38 -0.02 0.00 1.01 0.00 0.00 58.87 59.48 1b50 n SER 16 Cb 0.00 -3.53 -0.02 0.00 -1.01 0.00 0.00 64.21 59.66 1b50 n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1b50 n ARG 17 N -2.41 -2.98 -0.04 1.43 0.00 -1.26 -4.98 116.66 106.42 1b50 n ARG 17 Ca -0.04 2.39 -0.04 0.00 -0.00 0.00 0.00 57.85 60.16 1b50 n ARG 17 Cb 0.56 -3.28 0.04 0.00 0.00 0.00 0.00 32.46 29.79 1b50 n ARG 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1b50 n GLN 18 N 1.07 -2.18 -3.40 -0.14 1.13 -1.26 -5.02 117.38 107.57 1b50 n GLN 18 Ca -0.14 -0.21 -0.15 0.00 -1.94 0.00 0.00 57.00 54.56 1b50 n GLN 18 Cb 0.21 -0.29 -0.10 0.00 0.11 0.00 0.00 30.24 30.18 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 -1.12 -0.45 1.23 5.09 -0.00 -1.26 -5.09 121.20 119.60 1b50 s ILE 19 Ca 0.10 -0.28 -0.18 0.00 -0.00 0.00 0.00 60.65 60.29 1b50 s ILE 19 Cb -0.02 -0.87 0.30 0.00 -0.00 0.00 0.00 42.46 41.87 1b50 s ILE 19 CO 0.08 -0.30 1.04 -2.16 -0.00 0.00 0.00 174.94 173.60 1b50 s PRO 20 N 2.41 -1.43 0.57 0.37 0.04 -1.26 -4.64 135.00 131.06 1b50 s PRO 20 Ca 0.10 0.22 0.26 0.00 0.04 0.00 0.00 61.00 61.62 1b50 s PRO 20 Cb -0.15 -1.55 1.67 0.00 0.04 0.00 0.00 34.50 34.52 1b50 s PRO 20 CO -0.23 -3.91 2.22 1.96 0.04 0.00 0.00 177.00 177.07 1b50 h GLN 21 N -2.73 0.00 0.00 4.56 4.20 -1.94 0.06 115.11 119.26 1b50 h GLN 21 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1b50 h GLN 21 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1b50 h GLN 21 CO 0.39 0.00 -0.36 -0.97 -0.67 0.00 0.00 178.83 177.22 1b50 h ASN 22 N 0.00 0.00 -0.47 1.46 -0.73 -2.04 -3.26 115.58 110.54 1b50 h ASN 22 Ca 0.01 -0.01 -0.15 0.00 1.87 0.00 0.00 56.30 58.01 1b50 h ASN 22 Cb 0.05 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 38.55 1b50 h ASN 22 CO -0.00 0.01 0.09 0.33 -0.37 0.00 0.00 177.43 177.49 1b50 n PHE 23 N -2.83 1.53 -4.32 0.67 7.35 -0.04 -4.88 117.46 114.93 1b50 n PHE 23 Ca 0.03 -1.27 -0.20 0.00 -0.76 0.00 0.00 57.45 55.25 1b50 n PHE 23 Cb 0.52 -0.51 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1b50 s ILE 24 N -3.04 0.13 0.32 -2.13 1.01 -0.88 -4.10 121.20 112.51 1b50 s ILE 24 Ca 0.47 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.12 1b50 s ILE 24 Cb 0.40 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1b50 s ILE 24 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.01 1b50 n ALA 25 N -0.65 1.00 -2.18 9.38 0.00 -1.25 -4.59 120.51 122.23 1b50 n ALA 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1b50 n ALA 25 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 -3.25 0.00 0.00 0.00 0.00 -1.26 -4.72 120.51 111.28 1b50 n ALA 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b50 n ALA 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -4.57 0.00 4.11 -1.17 -4.42 117.16 111.11 1b50 n TYR 27 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1b50 n TYR 27 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 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 0.00 0.00 0.00 -3.48 3.01 -1.24 -0.78 117.46 114.97 1b50 n PHE 28 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1b50 n PHE 28 Cb 0.00 0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1b50 n PHE 28 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1b50 n GLU 29 N 5.52 0.00 0.00 -1.08 0.28 -1.26 -4.62 120.64 119.47 1b50 n GLU 29 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1b50 n GLU 29 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 0.00 0.00 3.84 -2.24 -1.26 -4.73 114.28 109.89 1b50 n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1b50 n THR 30 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -3.36 0.00 -1.55 3.42 7.64 -0.51 -4.85 113.62 114.41 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 -1.20 -3.01 0.00 0.00 175.04 170.83 1b50 n SER 32 N 0.00 0.09 -2.94 6.43 7.64 -1.11 -3.68 113.62 120.05 1b50 n SER 32 Ca 0.00 -0.78 -0.01 0.00 1.01 0.00 0.00 58.87 59.09 1b50 n SER 32 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1b50 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b50 n GLN 33 N -0.74 -2.16 0.00 1.43 1.13 -1.26 -3.50 117.38 112.28 1b50 n GLN 33 Ca 0.00 1.89 0.00 0.00 -1.94 0.00 0.00 57.00 56.95 1b50 n GLN 33 Cb 0.00 -2.62 0.00 0.00 0.11 0.00 0.00 30.24 27.73 1b50 n GLN 33 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1b50 n SER 35 N 1.35 0.38 0.09 0.00 3.41 -1.23 -4.07 113.62 113.55 1b50 n SER 35 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1b50 n SER 35 Cb 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 1b50 n SER 35 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1b50 n LYS 36 N 6.35 0.00 -0.40 4.33 3.00 -1.24 -1.43 118.16 128.78 1b50 n LYS 36 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1b50 n LYS 36 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1b50 n LYS 36 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1b50 n PRO 37 N -3.11 0.97 0.00 1.64 -0.04 -1.26 -4.75 135.00 128.46 1b50 n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1b50 n PRO 37 Cb 0.00 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1b50 n PRO 37 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b50 n GLY 38 N 1.33 3.17 0.00 0.55 0.00 -1.26 -2.70 105.19 106.28 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 1.55 0.00 0.00 0.00 173.32 174.87 1b50 n VAL 39 N 0.00 0.00 -3.72 1.61 3.14 -1.24 -4.50 118.33 113.61 1b50 n VAL 39 Ca 0.00 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.18 1b50 n VAL 39 Cb 0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 33.84 32.60 1b50 n VAL 39 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1b50 s ILE 40 N -2.06 0.00 0.49 1.55 1.01 0.04 -3.64 121.20 118.58 1b50 s ILE 40 Ca 0.00 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.06 1b50 s ILE 40 Cb 0.00 -0.22 0.04 0.00 0.01 0.00 0.00 42.46 42.30 1b50 s ILE 40 CO 0.00 0.18 0.67 -0.36 0.00 0.00 0.00 174.94 175.42 1b50 s PHE 41 N 1.90 2.19 -0.39 3.97 0.08 -0.66 -3.06 117.98 122.01 1b50 s PHE 41 Ca 0.02 -0.55 0.11 0.00 0.12 0.00 0.00 56.93 56.63 1b50 s PHE 41 Cb -0.12 -2.30 0.34 0.00 -0.57 0.00 0.00 43.02 40.36 1b50 s PHE 41 CO -0.03 -0.74 0.72 1.28 -0.10 0.00 0.00 175.22 176.35 1b50 n LEU 42 N -2.02 1.00 -4.08 -0.37 4.77 -1.26 -3.65 117.00 111.38 1b50 n LEU 42 Ca 0.11 -5.02 -0.37 0.00 -0.03 0.00 0.00 56.01 50.71 1b50 n LEU 42 Cb 0.60 0.62 0.07 0.00 -2.33 0.00 0.00 43.42 42.38 1b50 n LEU 42 CO 0.39 2.27 -1.54 0.35 -1.33 0.00 0.00 177.39 177.53 1b50 n THR 43 N 0.38 0.00 0.35 -5.08 -2.24 -1.26 -3.78 114.28 102.66 1b50 n THR 43 Ca 0.25 -0.18 0.14 0.00 -2.27 0.00 0.00 64.05 62.00 1b50 n THR 43 Cb 0.63 -0.16 0.57 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.24 0.00 -0.77 -0.78 1.79 -1.81 -2.17 116.57 111.59 1b50 h LYS 44 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1b50 h LYS 44 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1b50 h LYS 44 CO 0.26 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 179.17 1b50 n ARG 45 N -2.60 3.16 -3.83 3.15 5.12 -1.26 -4.86 116.66 115.54 1b50 n ARG 45 Ca 0.02 -1.75 -0.28 0.00 -1.93 0.00 0.00 57.85 53.91 1b50 n ARG 45 Cb 0.27 -1.92 0.04 0.00 -1.16 0.00 0.00 32.46 29.69 1b50 n ARG 45 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1b50 n SER 46 N 0.35 -5.13 -4.13 0.55 7.64 -0.82 -4.91 113.62 107.17 1b50 n SER 46 Ca 0.15 -0.72 -0.37 0.00 1.01 0.00 0.00 58.87 58.94 1b50 n SER 46 Cb 0.77 -4.19 -0.07 0.00 -1.01 0.00 0.00 64.21 59.71 1b50 n SER 46 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1b50 s ARG 47 N -6.52 3.17 0.22 1.43 3.52 -1.26 -4.94 118.95 114.57 1b50 s ARG 47 Ca 0.63 -3.05 -0.31 0.00 -0.13 0.00 0.00 55.73 52.86 1b50 s ARG 47 Cb -0.30 -3.96 -0.11 0.00 -1.56 0.00 0.00 34.95 29.02 1b50 s ARG 47 CO 0.80 -1.24 1.60 1.14 -0.81 0.00 0.00 175.30 176.79 1b50 s GLN 48 N -0.96 4.17 0.03 5.12 1.03 -1.26 -4.01 119.66 123.79 1b50 s GLN 48 Ca 0.25 2.48 0.01 0.00 0.04 0.00 0.00 55.36 58.13 1b50 s GLN 48 Cb -0.11 -3.09 -0.02 0.00 0.03 0.00 0.00 33.01 29.82 1b50 s GLN 48 CO -0.10 -0.63 -0.05 0.08 -2.54 0.00 0.00 175.29 172.06 1b50 s VAL 49 N 0.67 0.29 0.15 3.63 1.01 -1.24 -4.87 120.40 120.04 1b50 s VAL 49 Ca 0.68 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1b50 s VAL 49 Cb -0.46 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1b50 s VAL 49 CO 0.38 -0.49 0.37 0.00 0.00 0.00 0.00 175.10 175.35 1b50 s ALA 51 N -1.69 1.19 0.96 0.00 0.00 -1.24 -2.23 121.76 118.75 1b50 s ALA 51 Ca 0.40 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 1b50 s ALA 51 Cb -0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 23.12 22.78 1b50 s ALA 51 CO 0.26 0.17 -0.52 -3.47 0.00 0.00 0.00 175.76 172.20 1b50 n ASP 52 N 1.29 -5.09 0.00 0.00 2.03 -1.26 -3.73 116.55 109.80 1b50 n ASP 52 Ca -0.21 0.24 0.14 0.00 0.52 0.00 0.00 54.79 55.47 1b50 n ASP 52 Cb 0.54 -0.86 0.72 0.00 -0.72 0.00 0.00 41.12 40.81 1b50 n ASP 52 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1b50 n PRO 53 N 1.58 0.51 -2.74 -0.67 -0.04 -1.10 -3.46 135.00 129.09 1b50 n PRO 53 Ca 0.00 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1b50 n PRO 53 Cb 0.55 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 1b50 n PRO 53 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1b50 n SER 54 N -1.21 1.80 -4.78 3.54 2.88 -1.26 -4.95 113.62 109.63 1b50 n SER 54 Ca 0.15 -2.33 -0.34 0.00 -1.33 0.00 0.00 58.87 55.02 1b50 n SER 54 Cb 0.19 -0.48 0.01 0.00 -0.75 0.00 0.00 64.21 63.17 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 -3.62 3.31 -0.16 -1.46 8.01 -1.22 -4.97 118.70 118.59 1b50 s GLU 55 Ca 0.29 1.44 -0.15 0.00 0.01 0.00 0.00 54.97 56.55 1b50 s GLU 55 Cb 0.36 -2.02 -0.23 0.00 -4.31 0.00 0.00 34.13 27.93 1b50 s GLU 55 CO -0.02 -0.85 0.34 1.49 0.01 0.00 0.00 175.26 176.23 1b50 h GLU 56 N 0.86 0.14 0.00 1.61 4.81 -1.99 -3.12 114.58 116.90 1b50 h GLU 56 Ca -0.49 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.44 1b50 h GLU 56 Cb 1.24 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1b50 h GLU 56 CO 0.57 1.12 -0.30 0.11 -0.73 0.00 0.00 179.01 179.78 1b50 h TRP 57 N -0.48 0.00 0.07 0.92 5.08 -1.96 -3.09 115.95 116.49 1b50 h TRP 57 Ca -0.36 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.45 1b50 h TRP 57 Cb 1.65 0.00 0.02 0.00 -3.00 0.00 0.00 29.16 27.83 1b50 h TRP 57 CO 0.10 0.30 -0.66 0.28 -1.28 0.00 0.00 178.44 177.17 1b50 h VAL 58 N 0.00 1.49 -1.19 0.12 2.07 -1.92 -2.97 116.25 113.85 1b50 h VAL 58 Ca -0.00 -2.30 0.43 0.00 0.82 0.00 0.00 66.70 65.64 1b50 h VAL 58 Cb 0.60 2.93 -0.15 0.00 -1.52 0.00 0.00 31.29 33.15 1b50 h VAL 58 CO 0.04 0.66 0.72 1.56 0.02 0.00 0.00 177.57 180.56 1b50 h GLN 59 N -0.29 0.05 0.06 1.57 1.08 -1.47 0.35 115.11 116.47 1b50 h GLN 59 Ca -0.10 -0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 1b50 h GLN 59 Cb 1.45 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1b50 h GLN 59 CO 0.13 0.03 -0.53 -0.22 -0.95 0.00 0.00 178.83 177.29 1b50 h LYS 60 N 0.05 0.13 0.00 1.46 1.63 -1.65 -3.15 116.57 115.05 1b50 h LYS 60 Ca 0.84 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 60.42 1b50 h LYS 60 Cb 2.44 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 34.15 1b50 h LYS 60 CO -0.59 1.11 0.00 0.66 -3.45 0.00 0.00 179.45 177.18 1b50 n TYR 61 N -4.35 0.00 0.88 1.91 4.01 0.87 -1.39 117.16 119.08 1b50 n TYR 61 Ca -0.15 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1b50 n TYR 61 Cb 0.66 -0.49 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 1b50 n TYR 61 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1b50 n VAL 62 N -1.49 0.00 -0.22 -0.72 0.31 0.83 -4.34 118.33 112.70 1b50 n VAL 62 Ca 0.02 -0.18 0.01 0.00 -0.01 0.00 0.00 64.34 64.19 1b50 n VAL 62 Cb 0.10 1.12 0.10 0.00 -0.91 0.00 0.00 33.84 34.25 1b50 n VAL 62 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1b50 h SER 63 N 1.10 -0.37 0.00 4.52 0.87 -1.18 -3.41 113.55 115.07 1b50 h SER 63 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1b50 h SER 63 Cb 0.55 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1b50 h SER 63 CO 0.00 -0.15 0.00 -0.67 -0.53 0.00 0.00 176.83 175.48 1b50 n ASP 64 N -5.33 0.00 -0.11 6.23 2.03 -1.26 -5.02 116.55 113.08 1b50 n ASP 64 Ca 0.09 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.43 1b50 n ASP 64 Cb 0.37 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.80 1b50 n ASP 64 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1b50 n LEU 65 N 0.00 1.20 -4.77 -2.67 4.77 -1.26 -4.95 117.00 109.32 1b50 n LEU 65 Ca 0.00 -1.57 -0.39 0.00 -0.03 0.00 0.00 56.01 54.02 1b50 n LEU 65 Cb 0.00 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1b50 n LEU 65 CO 0.00 0.38 0.86 -1.61 -1.33 0.00 0.00 177.39 175.69 1b50 s GLU 66 N -1.01 4.22 -0.82 3.23 0.41 -1.26 -3.72 118.70 119.75 1b50 s GLU 66 Ca 0.08 1.92 -0.04 0.00 -0.41 0.00 0.00 54.97 56.51 1b50 s GLU 66 Cb 0.07 -2.85 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 1b50 s GLU 66 CO 0.01 -0.20 0.73 -0.11 -0.49 0.00 0.00 175.26 175.20 1b50 n LEU 67 N 0.43 -5.15 -1.43 1.80 -0.00 -1.26 -4.74 117.00 106.65 1b50 n LEU 67 Ca 0.02 -0.50 0.19 0.00 -0.00 0.00 0.00 56.01 55.73 1b50 n LEU 67 Cb 0.45 -2.76 -0.05 0.00 -0.00 0.00 0.00 43.42 41.06 1b50 n LEU 67 CO 0.53 -0.08 -0.29 -1.20 -0.00 0.00 0.00 177.39 176.35 1b50 n SER 68 N -2.72 -8.51 -0.57 1.96 7.64 -1.24 -5.18 113.62 104.99 1b50 n SER 68 Ca -0.05 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.54 1b50 n SER 68 Cb 0.58 -4.37 0.06 0.00 -1.01 0.00 0.00 64.21 59.47 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03