#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 1.22 -4.67 -3.43 7.94 -1.26 -4.85 117.00 111.95 1b50 n LEU 2 Ca 0.00 -0.02 -0.43 0.00 -1.11 0.00 0.00 56.01 54.45 1b50 n LEU 2 Cb 0.00 -1.19 -0.02 0.00 0.53 0.00 0.00 43.42 42.73 1b50 n LEU 2 CO 0.00 -1.03 0.93 0.00 -1.11 0.00 0.00 177.39 176.18 1b50 s ALA 3 N 9.88 3.57 -1.30 1.96 0.00 -1.26 -4.94 121.76 129.67 1b50 s ALA 3 Ca 1.19 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 53.45 1b50 s ALA 3 Cb -0.84 -3.53 0.15 0.00 0.00 0.00 0.00 23.12 18.90 1b50 s ALA 3 CO 0.41 -0.90 1.95 0.00 0.00 0.00 0.00 175.76 177.23 1b50 n ALA 4 N 5.80 5.53 -2.70 0.00 0.00 -1.26 -4.55 120.51 123.33 1b50 n ALA 4 Ca 0.11 -4.27 -0.06 0.00 0.00 0.00 0.00 53.44 49.23 1b50 n ALA 4 Cb 0.46 -3.00 0.07 0.00 0.00 0.00 0.00 19.45 16.99 1b50 n ALA 4 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1b50 n ASP 5 N 3.78 -1.86 -3.59 0.00 5.75 -1.26 -5.14 116.55 114.24 1b50 n ASP 5 Ca 0.43 -2.39 -0.01 0.00 -0.01 0.00 0.00 54.79 52.80 1b50 n ASP 5 Cb 0.35 1.19 -0.06 0.00 -1.03 0.00 0.00 41.12 41.57 1b50 n ASP 5 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1b50 s THR 6 N 0.30 -0.14 0.66 2.12 2.01 -1.26 -5.17 115.64 114.16 1b50 s THR 6 Ca 0.27 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 1b50 s THR 6 Cb 0.23 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.73 1b50 s THR 6 CO -0.14 0.00 1.06 -2.16 -0.69 0.00 0.00 174.62 172.68 1b50 s PRO 7 N 1.63 3.21 -1.31 4.92 0.04 -1.26 -4.95 135.00 137.27 1b50 s PRO 7 Ca -0.07 0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 1b50 s PRO 7 Cb -0.04 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.52 1b50 s PRO 7 CO -0.16 -0.81 1.78 2.41 0.04 0.00 0.00 177.00 180.27 1b50 n THR 8 N -2.87 3.93 -1.70 1.26 -1.04 -1.26 -4.95 114.28 107.65 1b50 n THR 8 Ca 0.06 -4.04 -0.55 0.00 -2.04 0.00 0.00 64.05 57.49 1b50 n THR 8 Cb 0.56 -2.41 -0.07 0.00 -1.82 0.00 0.00 70.33 66.59 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 7.45 0.13 -3.22 2.41 0.00 -1.26 -4.89 120.51 121.12 1b50 n ALA 9 Ca 0.47 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 54.06 1b50 n ALA 9 Cb 0.44 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 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 5.24 0.52 -3.87 0.00 3.01 -1.26 -4.80 117.46 116.30 1b50 n PHE 12 Ca 0.13 -0.31 -0.11 0.00 1.01 0.00 0.00 57.45 58.17 1b50 n PHE 12 Cb 0.43 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.79 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1b50 s SER 13 N -1.26 0.01 0.36 4.37 0.01 -1.26 -5.14 113.70 110.78 1b50 s SER 13 Ca 0.35 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1b50 s SER 13 Cb 0.20 0.21 -0.07 0.00 0.21 0.00 0.00 66.02 66.57 1b50 s SER 13 CO 0.27 -0.25 0.01 -0.31 0.41 0.00 0.00 173.24 173.38 1b50 s TYR 14 N -0.90 2.23 -0.26 2.43 2.02 -1.26 -4.64 117.35 116.97 1b50 s TYR 14 Ca -0.10 -0.77 -0.11 0.00 -0.37 0.00 0.00 57.07 55.71 1b50 s TYR 14 Cb -0.06 -1.48 -0.05 0.00 -0.40 0.00 0.00 41.96 39.97 1b50 s TYR 14 CO 0.01 0.27 0.20 0.95 -1.57 0.00 0.00 175.55 175.40 1b50 s THR 15 N -2.97 5.31 0.35 -0.71 -4.23 -1.13 -4.95 115.64 107.31 1b50 s THR 15 Ca 0.35 0.22 0.13 0.00 -1.18 0.00 0.00 61.69 61.21 1b50 s THR 15 Cb 0.08 -3.54 0.34 0.00 1.34 0.00 0.00 72.50 70.73 1b50 s THR 15 CO 0.16 0.28 1.72 0.28 -0.54 0.00 0.00 174.62 176.52 1b50 h SER 16 N 8.04 0.58 -3.15 3.99 0.02 -2.00 -3.40 113.55 117.63 1b50 h SER 16 Ca -0.36 0.13 -0.47 0.00 -0.84 0.00 0.00 61.79 60.26 1b50 h SER 16 Cb 1.18 0.05 0.04 0.00 0.14 0.00 0.00 62.40 63.81 1b50 h SER 16 CO 0.60 0.05 0.01 -0.13 -1.14 0.00 0.00 176.83 176.22 1b50 s ARG 17 N -5.67 3.10 0.00 3.45 0.52 -1.26 -5.10 118.95 113.99 1b50 s ARG 17 Ca -0.10 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.87 1b50 s ARG 17 Cb 0.27 -2.45 0.00 0.00 0.52 0.00 0.00 34.95 33.30 1b50 s ARG 17 CO 0.80 -0.38 0.00 1.04 0.02 0.00 0.00 175.30 176.78 1b50 n GLN 18 N -2.25 2.70 -3.82 3.54 3.00 -1.26 -5.06 117.38 114.22 1b50 n GLN 18 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1b50 n GLN 18 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.69 1b50 n GLN 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1b50 s ILE 19 N 1.82 0.02 0.36 5.09 1.09 -1.26 -5.13 121.20 123.19 1b50 s ILE 19 Ca 0.00 -0.13 -0.28 0.00 -1.10 0.00 0.00 60.65 59.14 1b50 s ILE 19 Cb 0.00 -0.28 -0.11 0.00 -1.06 0.00 0.00 42.46 41.01 1b50 s ILE 19 CO 0.00 -0.07 1.45 -0.81 -0.10 0.00 0.00 174.94 175.41 1b50 n PRO 20 N 2.70 2.55 0.05 2.79 -0.04 -1.26 -4.87 135.00 136.91 1b50 n PRO 20 Ca -0.14 0.89 0.02 0.00 -0.04 0.00 0.00 63.50 64.23 1b50 n PRO 20 Cb 0.58 -2.59 0.38 0.00 -0.04 0.00 0.00 33.50 31.83 1b50 n PRO 20 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1b50 h GLN 21 N 2.97 0.42 0.00 0.54 1.08 -1.98 -0.58 115.11 117.57 1b50 h GLN 21 Ca -0.49 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 1b50 h GLN 21 Cb 1.25 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1b50 h GLN 21 CO 0.65 0.42 0.00 0.09 -0.95 0.00 0.00 178.83 179.03 1b50 n ASN 22 N -4.35 0.37 -0.04 1.46 3.02 -1.26 -1.84 115.26 112.62 1b50 n ASN 22 Ca 0.01 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.23 1b50 n ASN 22 Cb 0.19 -0.68 -0.07 0.00 -0.61 0.00 0.00 39.78 38.61 1b50 n ASN 22 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1b50 n PHE 23 N -1.92 0.00 -3.00 3.10 7.35 -0.29 -4.93 117.46 117.77 1b50 n PHE 23 Ca 0.02 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.54 1b50 n PHE 23 Cb 0.18 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.03 1b50 n PHE 23 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1b50 s ILE 24 N -2.30 2.84 0.08 -2.13 2.07 -0.76 -2.09 121.20 118.90 1b50 s ILE 24 Ca 0.06 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.32 1b50 s ILE 24 Cb 0.11 -2.85 0.00 0.00 0.13 0.00 0.00 42.46 39.85 1b50 s ILE 24 CO 0.57 0.00 0.00 0.00 -1.91 0.00 0.00 174.94 173.60 1b50 n ALA 25 N -1.94 1.61 -2.10 1.50 0.00 -1.21 -4.77 120.51 113.61 1b50 n ALA 25 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1b50 n ALA 25 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -2.70 0.00 0.00 0.00 0.00 -1.26 -4.87 120.51 111.68 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 0.00 0.00 4.11 -0.62 -4.43 117.16 116.22 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 -1.14 0.21 117.46 116.06 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 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 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 0.00 0.00 -0.69 -1.08 0.28 -1.26 -4.81 120.64 113.08 1b50 n GLU 29 Ca 0.00 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.09 1b50 n GLU 29 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -4.21 3.84 -2.24 -1.25 -4.77 114.28 105.65 1b50 n THR 30 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1b50 n THR 30 Cb 0.00 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 67.96 1b50 n THR 30 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1b50 s SER 31 N -4.91 4.44 -0.18 3.42 0.15 -1.02 -4.98 113.70 110.62 1b50 s SER 31 Ca 0.00 -1.39 -0.20 0.00 0.70 0.00 0.00 55.95 55.07 1b50 s SER 31 Cb 0.00 0.42 -0.17 0.00 -1.71 0.00 0.00 66.02 64.56 1b50 s SER 31 CO 0.00 -0.99 0.23 0.28 1.20 0.00 0.00 173.24 173.95 1b50 h SER 32 N 0.99 0.00 -1.55 5.45 0.02 -1.91 -3.33 113.55 113.23 1b50 h SER 32 Ca -0.40 -0.48 0.45 0.00 -0.84 0.00 0.00 61.79 60.53 1b50 h SER 32 Cb 1.31 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.78 1b50 h SER 32 CO 0.64 1.24 1.16 1.56 -1.14 0.00 0.00 176.83 180.29 1b50 h GLN 33 N -1.00 0.00 -3.01 3.45 4.20 -1.98 -2.24 115.11 114.53 1b50 h GLN 33 Ca -0.22 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 57.87 1b50 h GLN 33 Cb 1.06 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 28.43 1b50 h GLN 33 CO -0.13 0.00 -0.64 0.00 -0.67 0.00 0.00 178.83 177.39 1b50 n SER 35 N 2.27 0.38 -4.34 0.00 2.88 -0.84 -4.20 113.62 109.76 1b50 n SER 35 Ca 0.19 -1.23 -0.32 0.00 -1.33 0.00 0.00 58.87 56.18 1b50 n SER 35 Cb 0.36 -1.20 -0.15 0.00 -0.75 0.00 0.00 64.21 62.47 1b50 n SER 35 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1b50 s LYS 36 N 7.99 2.77 -1.28 -1.46 -0.14 -1.26 -5.05 119.74 121.32 1b50 s LYS 36 Ca 1.01 -0.80 -0.16 0.00 -1.36 0.00 0.00 55.97 54.66 1b50 s LYS 36 Cb -0.38 -2.34 0.10 0.00 -1.68 0.00 0.00 37.83 33.54 1b50 s LYS 36 CO 0.26 0.39 1.66 -0.35 -0.76 0.00 0.00 175.35 176.55 1b50 n PRO 37 N 2.97 3.25 0.00 -1.68 -0.04 -1.26 -4.64 135.00 133.60 1b50 n PRO 37 Ca -0.18 -3.44 0.00 0.00 -0.04 0.00 0.00 63.50 59.85 1b50 n PRO 37 Cb 0.52 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.93 3.04 3.61 0.55 0.00 -1.26 -3.43 105.19 112.63 1b50 n GLY 38 Ca 0.45 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 1b50 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b50 s VAL 39 N -1.69 -0.06 -0.17 1.61 0.11 -1.20 -3.80 120.40 115.20 1b50 s VAL 39 Ca 0.00 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 1b50 s VAL 39 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1b50 s VAL 39 CO 0.00 0.00 0.46 -0.63 -3.33 0.00 0.00 175.10 171.60 1b50 s ILE 40 N 1.43 5.17 0.42 7.04 1.09 0.57 -3.03 121.20 133.90 1b50 s ILE 40 Ca -0.08 0.85 0.07 0.00 -1.10 0.00 0.00 60.65 60.39 1b50 s ILE 40 Cb -0.04 -3.79 0.01 0.00 -1.06 0.00 0.00 42.46 37.59 1b50 s ILE 40 CO -0.14 0.25 0.58 -0.36 -0.10 0.00 0.00 174.94 175.17 1b50 s PHE 41 N 1.18 2.87 -0.48 3.97 0.08 -0.58 -1.59 117.98 123.44 1b50 s PHE 41 Ca 0.23 -0.31 0.07 0.00 0.12 0.00 0.00 56.93 57.04 1b50 s PHE 41 Cb -0.15 -2.36 0.26 0.00 -0.57 0.00 0.00 43.02 40.19 1b50 s PHE 41 CO 0.09 -0.41 0.62 1.28 -0.10 0.00 0.00 175.22 176.70 1b50 n LEU 42 N -1.88 1.54 -4.06 -0.37 4.77 -1.26 -3.71 117.00 112.03 1b50 n LEU 42 Ca 0.07 -4.99 -0.26 0.00 -0.03 0.00 0.00 56.01 50.80 1b50 n LEU 42 Cb 0.59 0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.95 1b50 n LEU 42 CO 0.40 2.09 -0.77 0.35 -1.33 0.00 0.00 177.39 178.13 1b50 n THR 43 N 1.12 0.00 1.24 -5.08 -2.24 -1.20 -3.32 114.28 104.79 1b50 n THR 43 Ca 0.25 -0.10 0.06 0.00 -2.27 0.00 0.00 64.05 61.98 1b50 n THR 43 Cb 0.49 -0.33 0.19 0.00 -2.10 0.00 0.00 70.33 68.58 1b50 n THR 43 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b50 n LYS 44 N -0.22 1.58 -0.09 -0.78 4.01 -0.89 -3.46 118.16 118.31 1b50 n LYS 44 Ca 0.01 -0.90 0.08 0.00 -0.51 0.00 0.00 58.31 56.99 1b50 n LYS 44 Cb 0.51 -1.24 0.12 0.00 -0.51 0.00 0.00 35.03 33.91 1b50 n LYS 44 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1b50 n ARG 45 N 0.20 1.82 -3.08 1.97 5.12 -1.26 -4.96 116.66 116.46 1b50 n ARG 45 Ca 0.10 -2.36 -0.16 0.00 -1.93 0.00 0.00 57.85 53.50 1b50 n ARG 45 Cb 0.23 -1.42 0.04 0.00 -1.16 0.00 0.00 32.46 30.15 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 -1.12 -4.94 -4.32 0.55 7.64 -1.22 -4.99 113.62 105.22 1b50 n SER 46 Ca 0.13 -0.31 -0.36 0.00 1.01 0.00 0.00 58.87 59.34 1b50 n SER 46 Cb 0.57 -3.63 -0.13 0.00 -1.01 0.00 0.00 64.21 60.01 1b50 n SER 46 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1b50 s ARG 47 N -5.70 3.13 -0.03 1.43 0.52 -1.26 -4.99 118.95 112.06 1b50 s ARG 47 Ca 0.33 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 1b50 s ARG 47 Cb -0.15 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.04 1b50 s ARG 47 CO 0.41 -0.38 1.12 -1.14 0.02 0.00 0.00 175.30 175.33 1b50 s GLN 48 N 1.47 4.42 0.35 3.54 -0.44 -1.26 -3.27 119.66 124.47 1b50 s GLN 48 Ca 0.03 1.59 0.07 0.00 -2.50 0.00 0.00 55.36 54.55 1b50 s GLN 48 Cb -0.16 -3.49 -0.07 0.00 -1.64 0.00 0.00 33.01 27.65 1b50 s GLN 48 CO 0.00 -0.30 -0.02 0.08 0.50 0.00 0.00 175.29 175.55 1b50 s VAL 49 N 1.69 1.85 0.02 1.34 1.01 -1.24 -4.92 120.40 120.15 1b50 s VAL 49 Ca 0.54 -2.08 -0.00 0.00 0.00 0.00 0.00 61.98 60.44 1b50 s VAL 49 Cb -0.24 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1b50 s VAL 49 CO 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 175.10 175.21 1b50 s ALA 51 N -1.69 0.21 0.93 0.00 0.00 -1.17 -2.82 121.76 117.22 1b50 s ALA 51 Ca -0.14 -0.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1b50 s ALA 51 Cb -0.08 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1b50 s ALA 51 CO -0.02 -0.25 -0.14 -0.25 0.00 0.00 0.00 175.76 175.11 1b50 n ASP 52 N 1.02 -2.70 0.00 0.00 9.92 -1.26 -3.23 116.55 120.30 1b50 n ASP 52 Ca -0.20 -0.20 0.01 0.00 -0.53 0.00 0.00 54.79 53.86 1b50 n ASP 52 Cb 0.57 -0.70 0.04 0.00 -0.64 0.00 0.00 41.12 40.39 1b50 n ASP 52 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1b50 n PRO 53 N -0.32 0.93 -2.16 -0.24 -0.04 -1.22 -3.92 135.00 128.02 1b50 n PRO 53 Ca 0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.46 1b50 n PRO 53 Cb 0.41 -1.02 0.03 0.00 -0.04 0.00 0.00 33.50 32.87 1b50 n PRO 53 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1b50 n SER 54 N -0.52 -0.76 -4.73 3.54 3.41 -1.26 -4.95 113.62 108.36 1b50 n SER 54 Ca 0.01 -1.52 -0.42 0.00 -0.26 0.00 0.00 58.87 56.68 1b50 n SER 54 Cb 0.00 0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1b50 n SER 54 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1b50 s GLU 55 N 0.05 4.15 0.40 4.33 0.41 -1.25 -4.83 118.70 121.96 1b50 s GLU 55 Ca 0.04 2.52 0.20 0.00 -0.41 0.00 0.00 54.97 57.33 1b50 s GLU 55 Cb 0.13 -3.09 1.16 0.00 -1.78 0.00 0.00 34.13 30.55 1b50 s GLU 55 CO -0.03 -0.68 1.73 1.49 -0.49 0.00 0.00 175.26 177.28 1b50 h GLU 56 N 6.36 0.32 0.14 1.61 4.57 -2.00 0.61 114.58 126.19 1b50 h GLU 56 Ca -0.44 -0.02 -0.30 0.00 -1.18 0.00 0.00 59.36 57.42 1b50 h GLU 56 Cb 1.21 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1b50 h GLU 56 CO 0.91 0.21 -1.54 0.11 -1.18 0.00 0.00 179.01 177.52 1b50 h TRP 57 N 0.33 0.54 0.00 0.92 5.08 -2.00 -3.30 115.95 117.52 1b50 h TRP 57 Ca 0.66 -0.39 0.00 0.00 1.08 0.00 0.00 58.89 60.23 1b50 h TRP 57 Cb 1.74 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 27.87 1b50 h TRP 57 CO -0.00 1.60 0.00 -0.24 -1.28 0.00 0.00 178.44 178.52 1b50 h VAL 58 N -0.16 0.00 -0.04 0.12 3.04 -1.40 -0.89 116.25 116.93 1b50 h VAL 58 Ca -0.32 -0.04 -0.14 0.00 -1.01 0.00 0.00 66.70 65.18 1b50 h VAL 58 Cb 1.88 0.62 0.01 0.00 -2.01 0.00 0.00 31.29 31.79 1b50 h VAL 58 CO 0.10 0.00 -0.53 1.56 -1.01 0.00 0.00 177.57 177.69 1b50 h GLN 59 N 0.00 0.43 -0.16 4.17 1.08 -1.04 -1.45 115.11 118.13 1b50 h GLN 59 Ca 0.00 -0.41 -0.12 0.00 -1.45 0.00 0.00 58.65 56.67 1b50 h GLN 59 Cb 0.06 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1b50 h GLN 59 CO 0.00 1.06 -0.43 -0.22 -0.95 0.00 0.00 178.83 178.29 1b50 h LYS 60 N -0.05 0.39 -0.01 1.46 1.63 -1.35 0.34 116.57 118.98 1b50 h LYS 60 Ca -0.06 -0.20 -0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1b50 h LYS 60 Cb 1.22 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1b50 h LYS 60 CO 0.11 0.75 -0.00 1.88 -3.45 0.00 0.00 179.45 178.74 1b50 h TYR 61 N 0.32 0.02 0.00 1.91 -1.99 -1.18 -2.85 116.97 113.20 1b50 h TYR 61 Ca 0.03 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1b50 h TYR 61 Cb 0.89 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1b50 h TYR 61 CO 0.03 0.33 0.00 0.28 -0.00 0.00 0.00 178.16 178.80 1b50 n VAL 62 N -4.92 0.53 -0.36 -2.88 0.31 -0.55 -3.70 118.33 106.76 1b50 n VAL 62 Ca -0.08 -0.25 0.37 0.00 -0.01 0.00 0.00 64.34 64.37 1b50 n VAL 62 Cb 0.18 -0.58 0.65 0.00 -0.91 0.00 0.00 33.84 33.17 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 0.00 0.00 0.00 4.52 0.87 -0.07 -2.10 113.55 116.76 1b50 h SER 63 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b50 h SER 63 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1b50 h SER 63 CO 0.00 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.77 1b50 n ASP 64 N -3.66 0.00 -4.06 6.23 9.92 -1.24 -4.60 116.55 119.14 1b50 n ASP 64 Ca 0.29 0.43 -0.35 0.00 -0.53 0.00 0.00 54.79 54.63 1b50 n ASP 64 Cb 1.55 -0.20 -0.10 0.00 -0.64 0.00 0.00 41.12 41.73 1b50 n ASP 64 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1b50 s LEU 65 N -2.18 5.12 -0.79 0.64 1.43 -0.81 -4.95 118.68 117.13 1b50 s LEU 65 Ca 0.00 -3.11 -0.03 0.00 -1.03 0.00 0.00 54.13 49.96 1b50 s LEU 65 Cb 0.00 -1.81 0.19 0.00 0.03 0.00 0.00 46.19 44.60 1b50 s LEU 65 CO 0.00 -0.29 2.37 1.21 0.23 0.00 0.00 176.35 179.86 1b50 n GLU 66 N 3.10 3.26 0.00 1.70 2.13 -1.07 -4.50 120.64 125.27 1b50 n GLU 66 Ca 0.11 -3.18 0.00 0.00 0.66 0.00 0.00 57.16 54.74 1b50 n GLU 66 Cb 0.37 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1b50 n GLU 66 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1b50 n LEU 67 N 0.47 0.00 0.13 4.31 4.77 -1.26 -5.09 117.00 120.33 1b50 n LEU 67 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 1b50 n LEU 67 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1b50 n LEU 67 CO 0.47 -0.42 0.00 -0.24 -1.33 0.00 0.00 177.39 175.86 1b50 n SER 68 N -2.27 -1.53 -0.72 -1.43 2.88 -1.26 -5.06 113.62 104.23 1b50 n SER 68 Ca 0.00 0.49 0.13 0.00 -1.33 0.00 0.00 58.87 58.16 1b50 n SER 68 Cb 0.00 1.58 0.31 0.00 -0.75 0.00 0.00 64.21 65.35 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81