#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 -0.25 -3.82 -3.43 -0.00 -1.26 -4.92 117.00 103.32 1b50 n LEU 2 Ca 0.00 -0.77 -0.14 0.00 -0.00 0.00 0.00 56.01 55.10 1b50 n LEU 2 Cb 0.00 -0.97 -0.15 0.00 -0.00 0.00 0.00 43.42 42.30 1b50 n LEU 2 CO 0.00 0.47 -0.36 0.00 -0.00 0.00 0.00 177.39 177.50 1b50 s ALA 3 N -3.82 0.08 -1.10 1.47 0.00 -1.26 -5.06 121.76 112.07 1b50 s ALA 3 Ca 0.25 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 1b50 s ALA 3 Cb -0.14 -0.15 0.29 0.00 0.00 0.00 0.00 23.12 23.12 1b50 s ALA 3 CO 0.59 -0.05 1.65 0.00 0.00 0.00 0.00 175.76 177.95 1b50 n ALA 4 N 3.69 5.48 -3.17 0.00 0.00 -1.26 -4.76 120.51 120.49 1b50 n ALA 4 Ca -0.21 -4.68 -0.23 0.00 0.00 0.00 0.00 53.44 48.32 1b50 n ALA 4 Cb 0.54 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 1b50 n ALA 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b50 n ASP 5 N 1.31 -0.15 0.00 0.00 8.00 -1.26 -5.09 116.55 119.37 1b50 n ASP 5 Ca 0.34 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1b50 n ASP 5 Cb 0.31 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1b50 n ASP 5 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1b50 n THR 6 N 1.55 0.00 -1.65 -3.53 -1.04 -1.26 -5.16 114.28 103.19 1b50 n THR 6 Ca 0.21 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.92 1b50 n THR 6 Cb 0.53 0.00 0.19 0.00 -1.82 0.00 0.00 70.33 69.23 1b50 n THR 6 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1b50 s PRO 7 N -1.60 0.29 -0.07 -2.82 0.04 -1.26 -4.95 135.00 124.63 1b50 s PRO 7 Ca 0.00 -0.19 -0.30 0.00 0.04 0.00 0.00 61.00 60.56 1b50 s PRO 7 Cb 0.00 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1b50 s PRO 7 CO 0.00 -2.68 1.53 0.99 0.04 0.00 0.00 177.00 176.88 1b50 s THR 8 N -3.55 3.74 0.24 1.26 2.01 -1.26 -4.93 115.64 113.16 1b50 s THR 8 Ca 0.71 0.94 -0.31 0.00 0.31 0.00 0.00 61.69 63.34 1b50 s THR 8 Cb -0.07 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.70 1b50 s THR 8 CO 0.54 -0.07 1.54 0.00 -0.69 0.00 0.00 174.62 175.94 1b50 n ALA 9 N 6.73 1.86 -2.70 7.40 0.00 -1.26 -4.91 120.51 127.64 1b50 n ALA 9 Ca 0.16 0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.95 1b50 n ALA 9 Cb 0.43 -2.38 0.07 0.00 0.00 0.00 0.00 19.45 17.57 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 0.65 0.48 -3.67 0.00 3.01 -1.26 -4.93 117.46 111.74 1b50 n PHE 12 Ca 0.01 -0.54 -0.08 0.00 1.01 0.00 0.00 57.45 57.86 1b50 n PHE 12 Cb 0.45 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.78 1b50 n PHE 12 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1b50 s SER 13 N -1.10 -0.60 0.46 4.37 1.04 -1.26 -5.16 113.70 111.45 1b50 s SER 13 Ca 0.24 1.15 0.06 0.00 0.48 0.00 0.00 55.95 57.87 1b50 s SER 13 Cb 0.14 1.33 0.02 0.00 0.10 0.00 0.00 66.02 67.60 1b50 s SER 13 CO 0.14 -0.22 0.64 -0.31 0.98 0.00 0.00 173.24 174.47 1b50 s TYR 14 N 2.11 2.77 0.20 5.02 2.02 -1.26 -4.69 117.35 123.52 1b50 s TYR 14 Ca -0.06 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1b50 s TYR 14 Cb -0.10 -2.49 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 1b50 s TYR 14 CO -0.15 -0.58 0.32 0.95 -1.57 0.00 0.00 175.55 174.51 1b50 s THR 15 N -2.49 5.24 -1.87 -0.71 -4.23 -0.79 -4.98 115.64 105.81 1b50 s THR 15 Ca 0.56 -0.87 0.27 0.00 -1.18 0.00 0.00 61.69 60.47 1b50 s THR 15 Cb -0.10 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.32 1b50 s THR 15 CO 0.35 -0.22 1.65 -1.54 -0.54 0.00 0.00 174.62 174.32 1b50 n SER 16 N -1.00 1.01 -4.86 3.99 3.41 -1.26 -4.84 113.62 110.06 1b50 n SER 16 Ca -0.08 -0.95 -0.21 0.00 -0.26 0.00 0.00 58.87 57.37 1b50 n SER 16 Cb 0.56 0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1b50 n SER 16 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1b50 s ARG 17 N -2.40 2.66 0.05 4.33 1.81 -1.26 -5.13 118.95 119.01 1b50 s ARG 17 Ca 0.28 -1.38 0.01 0.00 -1.72 0.00 0.00 55.73 52.92 1b50 s ARG 17 Cb 0.20 -2.45 0.01 0.00 -0.45 0.00 0.00 34.95 32.26 1b50 s ARG 17 CO 0.48 -0.01 0.07 0.94 -0.68 0.00 0.00 175.30 176.10 1b50 n GLN 18 N -1.44 0.99 -3.15 3.54 0.00 -1.26 -5.05 117.38 111.00 1b50 n GLN 18 Ca 0.00 -0.27 0.04 0.00 -0.00 0.00 0.00 57.00 56.77 1b50 n GLN 18 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 30.24 30.81 1b50 n GLN 18 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 1b50 s ILE 19 N 0.64 -0.76 0.76 1.69 -4.36 -1.26 -5.12 121.20 112.79 1b50 s ILE 19 Ca 0.05 0.00 -0.12 0.00 -0.26 0.00 0.00 60.65 60.32 1b50 s ILE 19 Cb -0.00 -0.98 0.05 0.00 1.25 0.00 0.00 42.46 42.78 1b50 s ILE 19 CO 0.03 0.00 1.12 -2.16 0.24 0.00 0.00 174.94 174.18 1b50 s PRO 20 N 2.89 2.17 0.60 0.37 0.04 -1.26 -4.57 135.00 135.24 1b50 s PRO 20 Ca 0.13 1.39 0.29 0.00 0.04 0.00 0.00 61.00 62.85 1b50 s PRO 20 Cb -0.13 -1.87 1.57 0.00 0.04 0.00 0.00 34.50 34.11 1b50 s PRO 20 CO -0.18 -1.74 1.98 1.96 0.04 0.00 0.00 177.00 179.06 1b50 h GLN 21 N -0.82 0.00 0.00 4.56 1.08 -1.95 1.15 115.11 119.13 1b50 h GLN 21 Ca -0.45 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.51 1b50 h GLN 21 Cb 1.25 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.69 1b50 h GLN 21 CO 0.50 0.00 -0.98 -0.97 -0.95 0.00 0.00 178.83 176.43 1b50 h ASN 22 N 0.00 0.67 -0.10 1.46 -0.73 -2.03 -2.93 115.58 111.91 1b50 h ASN 22 Ca 0.14 -0.54 0.00 0.00 1.87 0.00 0.00 56.30 57.77 1b50 h ASN 22 Cb 0.85 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 39.24 1b50 h ASN 22 CO -0.00 1.34 0.00 0.33 -0.37 0.00 0.00 177.43 178.72 1b50 n PHE 23 N -3.78 0.12 -4.59 0.67 -0.00 0.17 -4.67 117.46 105.38 1b50 n PHE 23 Ca -0.08 -0.06 -0.27 0.00 -0.00 0.00 0.00 57.45 57.04 1b50 n PHE 23 Cb 0.85 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 40.23 1b50 n PHE 23 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1b50 s ILE 24 N -1.88 1.78 0.00 -2.13 1.01 0.35 -2.18 121.20 118.14 1b50 s ILE 24 Ca 0.35 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.00 1b50 s ILE 24 Cb 0.19 -2.92 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1b50 s ILE 24 CO 0.30 0.00 0.00 0.00 0.00 0.00 0.00 174.94 175.24 1b50 n ALA 25 N -0.92 0.45 -3.32 9.38 0.00 -1.20 -4.63 120.51 120.26 1b50 n ALA 25 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1b50 n ALA 25 Cb 0.67 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.15 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 -1.96 0.81 0.16 0.00 0.00 -1.26 -4.88 120.51 113.38 1b50 n ALA 26 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1b50 n ALA 26 Cb 0.00 0.52 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.75 -3.72 -1.94 0.00 4.11 -1.22 -3.95 117.16 108.69 1b50 n TYR 27 Ca 0.07 1.02 0.00 0.00 -0.00 0.00 0.00 57.90 58.99 1b50 n TYR 27 Cb 0.45 2.63 0.00 0.00 -0.00 0.00 0.00 39.34 42.42 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 -3.18 -3.02 -1.84 -3.48 3.01 -1.26 -0.33 117.46 107.36 1b50 n PHE 28 Ca 0.00 1.82 -0.38 0.00 1.01 0.00 0.00 57.45 59.90 1b50 n PHE 28 Cb 0.00 -2.47 -0.02 0.00 -0.01 0.00 0.00 39.48 36.99 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 1.81 4.18 0.00 -1.08 0.28 -1.26 -2.03 120.64 122.54 1b50 n GLU 29 Ca 0.00 -3.15 0.00 0.00 -0.16 0.00 0.00 57.16 53.85 1b50 n GLU 29 Cb 0.00 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.30 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 1.79 0.00 -3.96 3.84 -2.24 -1.26 -4.84 114.28 107.61 1b50 n THR 30 Ca 0.62 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.40 1b50 n THR 30 Cb 0.30 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.55 1b50 n THR 30 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1b50 s SER 31 N -4.00 0.01 0.00 3.42 0.01 -1.22 -4.59 113.70 107.33 1b50 s SER 31 Ca 0.00 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.81 1b50 s SER 31 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 1b50 s SER 31 CO 0.00 -0.64 0.00 -0.24 0.41 0.00 0.00 173.24 172.77 1b50 n SER 32 N -1.19 0.00 0.00 2.44 2.88 -1.26 -3.76 113.62 112.72 1b50 n SER 32 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1b50 n SER 32 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1b50 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1b50 n GLN 33 N 0.00 0.00 -1.95 -1.46 1.13 -1.26 -3.59 117.38 110.25 1b50 n GLN 33 Ca 0.00 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.64 1b50 n GLN 33 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 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 7.10 2.19 -4.08 0.00 3.41 -1.24 -4.39 113.62 116.62 1b50 n SER 35 Ca 0.51 0.52 -0.20 0.00 -0.26 0.00 0.00 58.87 59.43 1b50 n SER 35 Cb 0.41 -1.24 -0.15 0.00 -0.26 0.00 0.00 64.21 62.97 1b50 n SER 35 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1b50 s LYS 36 N 5.82 0.93 0.00 4.33 -0.14 -1.26 -5.03 119.74 124.39 1b50 s LYS 36 Ca 1.08 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 55.22 1b50 s LYS 36 Cb -0.89 -0.90 0.00 0.00 -1.68 0.00 0.00 37.83 34.36 1b50 s LYS 36 CO 0.51 0.24 0.00 -0.35 -0.76 0.00 0.00 175.35 175.00 1b50 n PRO 37 N 2.65 0.00 -1.19 -1.68 -0.04 -1.26 -4.53 135.00 128.94 1b50 n PRO 37 Ca -0.15 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.11 1b50 n PRO 37 Cb 0.56 -0.66 -0.03 0.00 -0.04 0.00 0.00 33.50 33.33 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 2.22 -1.49 3.91 0.55 0.00 -1.26 -4.71 105.19 104.41 1b50 n GLY 38 Ca 0.00 0.29 -0.27 0.00 0.00 0.00 0.00 46.02 46.04 1b50 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b50 s VAL 39 N -0.85 4.64 0.39 1.61 1.01 -1.04 -4.40 120.40 121.76 1b50 s VAL 39 Ca 0.55 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1b50 s VAL 39 Cb -0.79 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 1b50 s VAL 39 CO 0.48 -0.73 0.44 -0.63 0.00 0.00 0.00 175.10 174.66 1b50 s ILE 40 N -2.75 3.11 0.04 2.22 1.01 0.55 -1.50 121.20 123.89 1b50 s ILE 40 Ca 0.48 -1.18 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1b50 s ILE 40 Cb -0.10 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1b50 s ILE 40 CO 0.44 -0.05 0.10 -0.36 0.00 0.00 0.00 174.94 175.07 1b50 s PHE 41 N -2.36 0.22 -0.62 3.97 0.08 -1.24 -3.41 117.98 114.62 1b50 s PHE 41 Ca 0.49 -0.55 0.06 0.00 0.12 0.00 0.00 56.93 57.05 1b50 s PHE 41 Cb -0.07 -0.15 0.24 0.00 -0.57 0.00 0.00 43.02 42.47 1b50 s PHE 41 CO 0.30 -0.39 0.69 1.28 -0.10 0.00 0.00 175.22 177.00 1b50 n LEU 42 N 0.62 3.29 -4.08 -0.37 4.77 -1.25 -1.65 117.00 118.32 1b50 n LEU 42 Ca -0.18 -5.33 -0.36 0.00 -0.03 0.00 0.00 56.01 50.10 1b50 n LEU 42 Cb 0.59 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 1b50 n LEU 42 CO 0.23 2.01 -1.47 0.35 -1.33 0.00 0.00 177.39 177.19 1b50 n THR 43 N 1.08 0.00 0.35 -5.08 -2.24 -1.21 -3.27 114.28 103.91 1b50 n THR 43 Ca 0.28 -0.22 0.15 0.00 -2.27 0.00 0.00 64.05 61.98 1b50 n THR 43 Cb 0.41 -0.15 0.56 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.21 0.00 -0.30 -0.78 1.79 -1.70 -2.19 116.57 112.18 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 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1b50 h LYS 44 CO 0.25 0.00 0.00 -2.13 -1.08 0.00 0.00 179.45 176.49 1b50 n ARG 45 N -2.68 1.51 -3.07 3.15 3.00 -1.26 -4.85 116.66 112.45 1b50 n ARG 45 Ca 0.02 -0.67 -0.17 0.00 -0.00 0.00 0.00 57.85 57.02 1b50 n ARG 45 Cb 0.29 -1.23 0.04 0.00 0.00 0.00 0.00 32.46 31.57 1b50 n ARG 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1b50 n SER 46 N 0.05 -5.07 -4.15 6.15 7.64 -0.82 -4.98 113.62 112.44 1b50 n SER 46 Ca 0.06 -0.31 -0.35 0.00 1.01 0.00 0.00 58.87 59.28 1b50 n SER 46 Cb 0.21 -3.78 -0.13 0.00 -1.01 0.00 0.00 64.21 59.50 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 -5.69 2.23 0.44 1.43 0.52 -1.26 -4.95 118.95 111.67 1b50 s ARG 47 Ca 0.33 -1.51 -0.26 0.00 -0.52 0.00 0.00 55.73 53.78 1b50 s ARG 47 Cb -0.15 -3.36 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 1b50 s ARG 47 CO 0.41 -0.82 1.45 -1.14 0.02 0.00 0.00 175.30 175.22 1b50 s GLN 48 N 1.20 3.72 0.00 3.54 -0.44 -1.26 -3.30 119.66 123.13 1b50 s GLN 48 Ca 0.01 2.46 0.00 0.00 -2.50 0.00 0.00 55.36 55.33 1b50 s GLN 48 Cb -0.21 -2.69 0.00 0.00 -1.64 0.00 0.00 33.01 28.47 1b50 s GLN 48 CO -0.02 -0.80 0.00 0.28 0.50 0.00 0.00 175.29 175.24 1b50 n VAL 49 N -0.13 0.00 0.00 1.34 0.31 -0.66 -4.90 118.33 114.29 1b50 n VAL 49 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 1b50 n VAL 49 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 -1.47 0.14 1.00 0.00 0.00 -0.56 -1.89 121.76 118.98 1b50 s ALA 51 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1b50 s ALA 51 Cb 0.00 0.68 -0.14 0.00 0.00 0.00 0.00 23.12 23.66 1b50 s ALA 51 CO 0.00 -0.54 -0.85 -3.47 0.00 0.00 0.00 175.76 170.89 1b50 n ASP 52 N -0.11 -5.10 0.00 0.00 2.03 -1.26 -2.49 116.55 109.62 1b50 n ASP 52 Ca -0.10 0.15 0.04 0.00 0.52 0.00 0.00 54.79 55.40 1b50 n ASP 52 Cb 0.63 -0.75 0.24 0.00 -0.72 0.00 0.00 41.12 40.52 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 2.10 0.84 -1.10 -0.67 -0.04 -1.26 -3.32 135.00 131.55 1b50 n PRO 53 Ca -0.01 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1b50 n PRO 53 Cb 0.60 -1.15 -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 0.43 -0.04 0.00 0.00 175.50 175.89 1b50 n SER 54 N -0.65 -0.23 -4.65 3.54 7.64 -1.26 -4.97 113.62 113.04 1b50 n SER 54 Ca 0.06 -1.92 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 1b50 n SER 54 Cb 0.03 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 1b50 n SER 54 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1b50 s GLU 55 N 0.00 3.96 0.31 1.43 0.41 -1.21 -4.77 118.70 118.83 1b50 s GLU 55 Ca 0.11 2.47 0.26 0.00 -0.41 0.00 0.00 54.97 57.40 1b50 s GLU 55 Cb 0.13 -4.19 1.03 0.00 -1.78 0.00 0.00 34.13 29.31 1b50 s GLU 55 CO -0.05 -1.16 1.00 -1.91 -0.49 0.00 0.00 175.26 172.65 1b50 n GLU 56 N 7.74 -0.01 -0.03 1.61 2.13 -1.26 0.80 120.64 131.62 1b50 n GLU 56 Ca 0.21 0.76 -0.17 0.00 0.66 0.00 0.00 57.16 58.62 1b50 n GLU 56 Cb 0.42 -1.60 -0.14 0.00 0.27 0.00 0.00 31.44 30.40 1b50 n GLU 56 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 1b50 n TRP 57 N -3.65 0.93 0.30 4.31 4.27 -1.26 -4.03 117.44 118.31 1b50 n TRP 57 Ca 0.27 0.23 0.16 0.00 -3.89 0.00 0.00 57.50 54.27 1b50 n TRP 57 Cb 1.13 -1.13 0.61 0.00 -1.36 0.00 0.00 31.31 30.56 1b50 n TRP 57 CO 0.00 0.00 0.00 -0.24 -2.29 0.00 0.00 177.69 175.16 1b50 h VAL 58 N 0.04 0.00 -0.30 -1.67 3.04 0.04 -1.90 116.25 115.51 1b50 h VAL 58 Ca -0.42 -0.50 -0.12 0.00 -1.01 0.00 0.00 66.70 64.65 1b50 h VAL 58 Cb 2.03 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 32.76 1b50 h VAL 58 CO 0.06 0.00 -0.27 1.56 -1.01 0.00 0.00 177.57 177.91 1b50 h GLN 59 N 0.00 0.70 -0.26 4.17 1.08 -1.37 0.23 115.11 119.67 1b50 h GLN 59 Ca 0.00 -0.36 -0.12 0.00 -1.45 0.00 0.00 58.65 56.72 1b50 h GLN 59 Cb 0.53 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1b50 h GLN 59 CO 0.00 0.97 -0.30 -0.22 -0.95 0.00 0.00 178.83 178.34 1b50 h LYS 60 N 0.45 0.66 0.00 1.46 3.64 -1.63 0.24 116.57 121.39 1b50 h LYS 60 Ca 0.05 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.06 1b50 h LYS 60 Cb 0.83 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1b50 h LYS 60 CO 0.07 0.97 -0.03 1.88 -2.27 0.00 0.00 179.45 180.07 1b50 h TYR 61 N 0.38 0.00 0.00 1.91 0.05 -1.27 -2.86 116.97 115.18 1b50 h TYR 61 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 1b50 h TYR 61 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 1b50 h TYR 61 CO 0.08 0.03 -1.04 0.28 -1.05 0.00 0.00 178.16 176.45 1b50 n VAL 62 N -3.13 0.00 0.01 -2.88 0.31 0.80 -4.23 118.33 109.20 1b50 n VAL 62 Ca 0.01 -0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.15 1b50 n VAL 62 Cb 0.37 0.88 -0.13 0.00 -0.91 0.00 0.00 33.84 34.04 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 0.06 1.83 4.52 0.87 -0.29 -1.82 113.55 118.72 1b50 h SER 63 Ca 0.00 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1b50 h SER 63 Cb 0.52 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1b50 h SER 63 CO 0.00 1.08 -0.13 -0.78 -0.53 0.00 0.00 176.83 176.47 1b50 h ASP 64 N 0.01 0.00 0.00 6.23 1.82 -1.72 -3.27 116.42 119.49 1b50 h ASP 64 Ca -0.21 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.43 1b50 h ASP 64 Cb 1.95 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.96 1b50 h ASP 64 CO 0.10 0.13 -0.01 0.18 -1.61 0.00 0.00 179.24 178.04 1b50 n LEU 65 N -3.14 2.13 -4.56 2.28 4.77 -1.25 -4.82 117.00 112.42 1b50 n LEU 65 Ca 0.03 -2.51 -0.32 0.00 -0.03 0.00 0.00 56.01 53.19 1b50 n LEU 65 Cb 0.58 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1b50 n LEU 65 CO 0.35 0.60 1.49 -0.70 -1.33 0.00 0.00 177.39 177.80 1b50 s GLU 66 N -1.91 2.51 -1.13 3.23 -6.30 -0.68 -3.38 118.70 111.03 1b50 s GLU 66 Ca 0.16 0.23 -0.03 0.00 -2.50 0.00 0.00 54.97 52.83 1b50 s GLU 66 Cb 0.14 -4.73 -0.03 0.00 0.00 0.00 0.00 34.13 29.51 1b50 s GLU 66 CO 0.01 -3.15 0.96 1.28 0.02 0.00 0.00 175.26 174.38 1b50 n LEU 67 N 13.81 -4.75 -0.06 2.70 4.32 -1.26 -4.95 117.00 126.81 1b50 n LEU 67 Ca 0.32 -0.66 -0.13 0.00 -0.02 0.00 0.00 56.01 55.52 1b50 n LEU 67 Cb 0.49 -3.16 -0.04 0.00 -1.62 0.00 0.00 43.42 39.09 1b50 n LEU 67 CO 0.65 0.26 -0.83 -0.24 -1.22 0.00 0.00 177.39 176.01 1b50 n SER 68 N -3.17 1.18 0.00 -1.43 2.88 -1.22 -5.20 113.62 106.66 1b50 n SER 68 Ca -0.19 0.20 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1b50 n SER 68 Cb 0.65 -0.46 0.46 0.00 -0.75 0.00 0.00 64.21 64.10 1b50 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81