#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b75 s PHE 2 N 0.00 2.03 -1.14 2.03 0.08 -1.26 -4.69 117.98 115.03 1b75 s PHE 2 Ca 0.00 -0.06 -0.15 0.00 0.12 0.00 0.00 56.93 56.84 1b75 s PHE 2 Cb 0.00 -4.16 0.16 0.00 -0.57 0.00 0.00 43.02 38.44 1b75 s PHE 2 CO 0.00 -4.86 1.36 0.99 -0.10 0.00 0.00 175.22 172.61 1b75 s THR 3 N 3.03 4.91 -0.48 0.64 2.01 -1.26 -0.88 115.64 123.61 1b75 s THR 3 Ca 0.81 -2.31 -0.28 0.00 0.31 0.00 0.00 61.69 60.22 1b75 s THR 3 Cb -0.45 -4.89 0.01 0.00 0.01 0.00 0.00 72.50 67.18 1b75 s THR 3 CO 0.37 -1.61 1.49 -0.63 -0.69 0.00 0.00 174.62 173.54 1b75 s ILE 4 N 2.00 3.77 0.12 1.82 1.09 -0.28 -4.91 121.20 124.81 1b75 s ILE 4 Ca 0.40 0.72 -0.31 0.00 -1.10 0.00 0.00 60.65 60.37 1b75 s ILE 4 Cb -0.03 -4.21 -0.08 0.00 -1.06 0.00 0.00 42.46 37.08 1b75 s ILE 4 CO -0.02 -0.89 1.34 0.21 -0.10 0.00 0.00 174.94 175.47 1b75 s ASN 5 N 4.66 6.89 0.29 3.58 3.84 -1.26 -0.80 114.94 132.14 1b75 s ASN 5 Ca 0.60 2.27 -0.13 0.00 0.21 0.00 0.00 52.86 55.82 1b75 s ASN 5 Cb -0.13 -2.59 0.01 0.00 -0.55 0.00 0.00 41.25 37.99 1b75 s ASN 5 CO 0.29 -0.59 0.56 0.00 -2.79 0.00 0.00 177.10 174.57 1b75 s ALA 6 N 0.92 -0.35 0.06 1.71 0.00 -0.50 -4.68 121.76 118.94 1b75 s ALA 6 Ca 0.62 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.69 1b75 s ALA 6 Cb -0.35 0.99 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 1b75 s ALA 6 CO 0.31 -0.90 0.06 -2.00 0.00 0.00 0.00 175.76 173.23 1b75 s GLU 7 N -3.64 0.69 0.64 0.00 2.12 -0.94 -2.17 118.70 115.40 1b75 s GLU 7 Ca 0.21 -1.08 -0.18 0.00 0.36 0.00 0.00 54.97 54.28 1b75 s GLU 7 Cb -0.02 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 1b75 s GLU 7 CO 0.11 -0.17 1.24 1.33 -0.54 0.00 0.00 175.26 177.23 1b75 n VAL 8 N 0.13 4.73 -1.81 3.70 0.24 -1.26 -0.85 118.33 123.22 1b75 n VAL 8 Ca -0.15 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.23 1b75 n VAL 8 Cb 0.61 -1.45 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 1b75 n VAL 8 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1b75 s ARG 9 N -3.26 3.07 0.48 7.34 3.52 -1.18 -4.35 118.95 124.57 1b75 s ARG 9 Ca 0.81 1.59 0.00 0.00 -0.13 0.00 0.00 55.73 58.00 1b75 s ARG 9 Cb -0.39 -4.32 0.00 0.00 -1.56 0.00 0.00 34.95 28.68 1b75 s ARG 9 CO 0.42 -2.17 0.00 1.17 -0.81 0.00 0.00 175.30 173.90 1b75 n LYS 10 N 8.68 0.00 0.00 5.12 3.00 -1.26 -4.99 118.16 128.70 1b75 n LYS 10 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 1b75 n LYS 10 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.50 1b75 n LYS 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b75 n GLU 11 N -3.47 0.00 -2.43 1.64 0.28 -1.26 -3.88 120.64 111.51 1b75 n GLU 11 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.57 1b75 n GLU 11 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1b75 n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1b75 n GLN 12 N -0.19 3.16 -3.61 3.44 7.27 -1.26 -4.85 117.38 121.34 1b75 n GLN 12 Ca 0.00 -3.21 -0.02 0.00 0.07 0.00 0.00 57.00 53.84 1b75 n GLN 12 Cb 0.00 -3.38 -0.01 0.00 2.41 0.00 0.00 30.24 29.25 1b75 n GLN 12 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1b75 s GLY 13 N 3.73 -0.33 0.06 1.69 0.00 -1.25 -5.01 107.32 106.20 1b75 s GLY 13 Ca 0.51 1.30 -0.26 0.00 0.00 0.00 0.00 44.72 46.27 1b75 s GLY 13 CO 0.03 0.39 1.56 1.70 0.00 0.00 0.00 173.10 176.79 1b75 h LYS 14 N 2.00 -0.27 0.00 2.90 3.64 -1.88 -3.44 116.57 119.51 1b75 h LYS 14 Ca -0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1b75 h LYS 14 Cb 1.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1b75 h LYS 14 CO 0.25 -0.09 0.00 0.41 -2.27 0.00 0.00 179.45 177.75 1b75 n GLY 15 N -0.87 -1.89 3.09 5.01 0.00 -1.26 -5.05 105.19 104.22 1b75 n GLY 15 Ca -0.09 0.92 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 1b75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b75 s ALA 16 N 0.00 -0.42 -0.02 4.61 0.00 -1.26 -5.10 121.76 119.58 1b75 s ALA 16 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.98 1b75 s ALA 16 Cb 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 23.12 22.86 1b75 s ALA 16 CO 0.00 -0.14 0.98 0.77 0.00 0.00 0.00 175.76 177.37 1b75 h SER 17 N 5.12 -0.42 0.00 0.00 0.02 -2.00 -3.45 113.55 112.82 1b75 h SER 17 Ca -0.28 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1b75 h SER 17 Cb 1.19 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1b75 h SER 17 CO 0.40 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.64 1b75 n ARG 18 N -5.13 0.00 -0.19 3.45 1.74 -1.26 -1.97 116.66 113.29 1b75 n ARG 18 Ca -0.09 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.95 1b75 n ARG 18 Cb 0.27 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.77 1b75 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b75 h ARG 19 N 0.00 0.61 -0.52 5.56 3.08 -1.95 -1.48 114.38 119.68 1b75 h ARG 19 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1b75 h ARG 19 Cb 0.00 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1b75 h ARG 19 CO 0.00 0.40 0.11 1.37 -1.07 0.00 0.00 179.97 180.79 1b75 h LEU 20 N 0.63 0.75 -4.39 3.04 8.10 -1.68 -0.33 115.31 121.42 1b75 h LEU 20 Ca 0.24 -0.13 -0.38 0.00 0.11 0.00 0.00 57.88 57.71 1b75 h LEU 20 Cb 0.08 -0.19 -0.11 0.00 -0.44 0.00 0.00 40.66 40.00 1b75 h LEU 20 CO -0.13 0.74 0.43 -1.14 -4.11 0.00 0.00 178.44 174.23 1b75 n ARG 21 N -4.27 2.46 0.04 0.17 0.63 -0.56 -3.76 116.66 111.37 1b75 n ARG 21 Ca 0.04 -1.78 0.00 0.00 -0.92 0.00 0.00 57.85 55.19 1b75 n ARG 21 Cb 0.23 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.98 1b75 n ARG 21 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b75 n ALA 22 N 1.91 0.00 -1.97 5.13 0.00 -1.19 -4.84 120.51 119.55 1b75 n ALA 22 Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.66 1b75 n ALA 22 Cb 0.68 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.30 1b75 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b75 s ALA 23 N -1.96 2.87 -1.52 0.00 0.00 -0.14 -4.96 121.76 116.06 1b75 s ALA 23 Ca 0.00 -1.59 -0.12 0.00 0.00 0.00 0.00 51.96 50.25 1b75 s ALA 23 Cb 0.00 -2.36 -0.01 0.00 0.00 0.00 0.00 23.12 20.75 1b75 s ALA 23 CO 0.00 -2.16 2.53 0.09 0.00 0.00 0.00 175.76 176.23 1b75 n ASN 24 N -3.43 6.11 -3.86 0.00 3.02 -1.26 -4.78 115.26 111.06 1b75 n ASN 24 Ca 0.17 -2.75 -0.11 0.00 -0.03 0.00 0.00 54.58 51.86 1b75 n ASN 24 Cb 0.60 -1.60 -0.10 0.00 -0.61 0.00 0.00 39.78 38.07 1b75 n ASN 24 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1b75 s LYS 25 N 2.53 0.45 0.07 3.52 2.20 -1.26 -1.17 119.74 126.09 1b75 s LYS 25 Ca 0.57 -0.32 -0.20 0.00 -0.36 0.00 0.00 55.97 55.66 1b75 s LYS 25 Cb 0.16 0.19 0.05 0.00 -1.51 0.00 0.00 37.83 36.71 1b75 s LYS 25 CO -0.07 -0.11 0.48 -0.59 -0.36 0.00 0.00 175.35 174.70 1b75 s PHE 26 N -1.21 -0.35 0.46 4.03 -0.71 -1.03 -4.63 117.98 114.55 1b75 s PHE 26 Ca -0.13 0.27 -0.13 0.00 -1.04 0.00 0.00 56.93 55.90 1b75 s PHE 26 Cb -0.07 0.31 -0.07 0.00 -1.21 0.00 0.00 43.02 41.99 1b75 s PHE 26 CO 0.01 -0.66 0.88 -1.25 -1.34 0.00 0.00 175.22 172.86 1b75 s PRO 27 N -2.87 3.84 0.17 1.99 0.04 -1.26 -3.15 135.00 133.76 1b75 s PRO 27 Ca -0.03 0.69 -0.02 0.00 0.04 0.00 0.00 61.00 61.68 1b75 s PRO 27 Cb -0.00 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1b75 s PRO 27 CO -0.05 -0.17 0.12 0.00 0.04 0.00 0.00 177.00 176.94 1b75 s ALA 28 N -2.53 0.87 -0.01 8.56 0.00 -0.67 -4.54 121.76 123.44 1b75 s ALA 28 Ca 0.55 -1.49 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1b75 s ALA 28 Cb -0.10 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 24.09 1b75 s ALA 28 CO 0.33 -0.56 -0.07 0.42 0.00 0.00 0.00 175.76 175.88 1b75 s ILE 29 N -4.08 0.58 -0.14 0.00 1.01 -0.74 -0.92 121.20 116.91 1b75 s ILE 29 Ca 0.29 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1b75 s ILE 29 Cb 0.07 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 42.02 1b75 s ILE 29 CO 0.06 0.16 -0.03 -0.63 0.00 0.00 0.00 174.94 174.51 1b75 s ILE 30 N -0.17 3.99 -0.01 2.92 1.01 -0.41 -0.66 121.20 127.87 1b75 s ILE 30 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.35 1b75 s ILE 30 Cb -0.03 -2.73 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 1b75 s ILE 30 CO -0.00 0.51 0.03 -0.31 0.00 0.00 0.00 174.94 175.17 1b75 s TYR 31 N 0.11 3.15 0.00 3.97 1.51 0.02 -1.97 117.35 124.14 1b75 s TYR 31 Ca -0.00 0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1b75 s TYR 31 Cb -0.13 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1b75 s TYR 31 CO 0.03 0.49 0.00 0.41 -1.11 0.00 0.00 175.55 175.37 1b75 n GLY 32 N 1.40 0.25 4.68 0.71 0.00 -1.26 -2.29 105.19 108.67 1b75 n GLY 32 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1b75 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b75 n GLY 33 N 0.00 1.60 0.32 -0.02 0.00 -1.26 -4.63 105.19 101.20 1b75 n GLY 33 Ca 0.00 -0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.12 1b75 n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b75 h LYS 34 N 0.00 0.11 -4.53 1.61 1.57 -2.04 -3.42 116.57 109.87 1b75 h LYS 34 Ca 0.00 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1b75 h LYS 34 Cb 0.00 -0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.14 1b75 h LYS 34 CO 0.00 0.08 -0.66 -2.00 -0.57 0.00 0.00 179.45 176.30 1b75 s GLU 35 N -5.90 0.96 0.50 3.15 2.12 -1.26 -5.15 118.70 113.12 1b75 s GLU 35 Ca -0.12 -1.45 -0.22 0.00 0.36 0.00 0.00 54.97 53.54 1b75 s GLU 35 Cb 0.28 0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.66 1b75 s GLU 35 CO 0.77 -0.21 0.95 0.00 -0.54 0.00 0.00 175.26 176.24 1b75 n ALA 36 N -0.12 0.08 -1.72 6.30 0.00 -1.26 -4.42 120.51 119.36 1b75 n ALA 36 Ca -0.06 0.12 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1b75 n ALA 36 Cb 0.63 -2.07 0.03 0.00 0.00 0.00 0.00 19.45 18.04 1b75 n ALA 36 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1b75 s PRO 37 N -2.29 3.01 0.10 0.00 0.04 -1.26 -4.89 135.00 129.71 1b75 s PRO 37 Ca 0.68 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1b75 s PRO 37 Cb -0.49 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 1b75 s PRO 37 CO 0.53 -1.16 -0.15 -0.48 0.04 0.00 0.00 177.00 175.78 1b75 s LEU 38 N -4.12 2.33 0.12 -3.56 -0.00 -0.83 -4.97 118.68 107.65 1b75 s LEU 38 Ca 0.76 -0.70 0.03 0.00 -0.00 0.00 0.00 54.13 54.21 1b75 s LEU 38 Cb -0.28 -0.58 -0.04 0.00 -0.00 0.00 0.00 46.19 45.29 1b75 s LEU 38 CO 0.33 -0.08 0.18 0.00 -0.00 0.00 0.00 176.35 176.77 1b75 s ALA 39 N -1.60 3.76 0.08 1.48 0.00 -1.26 -1.29 121.76 122.93 1b75 s ALA 39 Ca 0.03 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 1b75 s ALA 39 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1b75 s ALA 39 CO 0.03 0.64 -0.01 0.96 0.00 0.00 0.00 175.76 177.38 1b75 s ILE 40 N -1.61 0.25 -0.08 0.00 -4.36 -0.09 -3.13 121.20 112.18 1b75 s ILE 40 Ca 0.32 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.85 1b75 s ILE 40 Cb -0.11 -1.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.88 1b75 s ILE 40 CO 0.25 -0.84 -0.03 -1.61 0.24 0.00 0.00 174.94 172.95 1b75 s GLU 41 N -3.94 2.90 -0.00 0.37 0.41 -0.03 -1.68 118.70 116.73 1b75 s GLU 41 Ca 0.12 -0.48 -0.28 0.00 -0.41 0.00 0.00 54.97 53.92 1b75 s GLU 41 Cb 0.08 -2.70 0.09 0.00 -1.78 0.00 0.00 34.13 29.81 1b75 s GLU 41 CO -0.06 0.67 0.78 -0.48 -0.49 0.00 0.00 175.26 175.67 1b75 s LEU 42 N -0.80 -0.49 0.23 1.80 0.05 -1.19 -2.21 118.68 116.07 1b75 s LEU 42 Ca 0.12 0.26 -0.22 0.00 0.05 0.00 0.00 54.13 54.34 1b75 s LEU 42 Cb -0.11 2.28 -0.08 0.00 -2.05 0.00 0.00 46.19 46.22 1b75 s LEU 42 CO 0.02 -0.66 0.77 -1.81 -0.55 0.00 0.00 176.35 174.12 1b75 s ASP 43 N -1.96 7.18 -1.52 1.48 1.01 -1.26 -2.45 116.67 119.14 1b75 s ASP 43 Ca -0.01 1.54 -0.09 0.00 0.71 0.00 0.00 52.55 54.69 1b75 s ASP 43 Cb -0.01 -2.46 -0.01 0.00 1.01 0.00 0.00 42.92 41.45 1b75 s ASP 43 CO -0.03 0.06 2.72 1.57 0.21 0.00 0.00 175.17 179.70 1b75 n HIS 44 N 0.90 2.56 0.00 4.23 -0.00 -0.31 -3.41 115.22 119.18 1b75 n HIS 44 Ca -0.02 -3.00 0.00 0.00 -0.00 0.00 0.00 57.72 54.69 1b75 n HIS 44 Cb 0.50 -2.30 0.00 0.00 -0.00 0.00 0.00 29.99 28.19 1b75 n HIS 44 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1b75 n ASP 45 N 3.23 0.00 -0.15 0.26 2.03 -1.26 -4.84 116.55 115.82 1b75 n ASP 45 Ca 0.71 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.98 1b75 n ASP 45 Cb 0.25 0.42 0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1b75 n ASP 45 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1b75 h LYS 46 N 0.00 0.41 -0.07 -0.67 6.56 -1.97 -0.71 116.57 120.11 1b75 h LYS 46 Ca 0.00 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 1b75 h LYS 46 Cb 0.00 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.57 1b75 h LYS 46 CO 0.00 0.27 0.03 0.28 -2.06 0.00 0.00 179.45 177.97 1b75 h VAL 47 N 0.42 1.11 -0.72 0.50 2.07 -1.92 -2.93 116.25 114.77 1b75 h VAL 47 Ca 0.22 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.56 1b75 h VAL 47 Cb 0.17 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 1b75 h VAL 47 CO -0.18 0.10 0.18 0.24 0.02 0.00 0.00 177.57 177.92 1b75 h MET 48 N -0.02 0.27 -0.80 1.57 2.86 -1.66 0.29 114.93 117.44 1b75 h MET 48 Ca 0.02 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1b75 h MET 48 Cb 0.13 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.65 1b75 h MET 48 CO -0.00 0.18 0.45 -0.91 1.06 0.00 0.00 176.91 177.69 1b75 h ASN 49 N 0.28 0.65 -0.04 1.22 -0.26 -0.97 -2.90 115.58 113.56 1b75 h ASN 49 Ca 0.41 0.05 -0.25 0.00 -0.56 0.00 0.00 56.30 55.94 1b75 h ASN 49 Cb 0.68 -0.08 0.02 0.00 -1.06 0.00 0.00 38.32 37.88 1b75 h ASN 49 CO -0.49 0.38 -0.94 0.24 -1.06 0.00 0.00 177.43 175.56 1b75 h MET 50 N 0.77 0.71 -0.41 0.81 2.86 -0.92 -3.36 114.93 115.39 1b75 h MET 50 Ca 0.38 -0.71 0.05 0.00 -2.06 0.00 0.00 59.70 57.36 1b75 h MET 50 Cb 0.33 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.10 1b75 h MET 50 CO -0.24 1.30 -0.54 1.96 1.06 0.00 0.00 176.91 180.45 1b75 h GLN 51 N 0.41 -0.35 0.00 1.72 1.08 -0.80 -3.41 115.11 113.75 1b75 h GLN 51 Ca -0.10 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1b75 h GLN 51 Cb 1.59 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 29.10 1b75 h GLN 51 CO 0.19 -0.24 0.00 0.00 -0.95 0.00 0.00 178.83 177.83 1b75 n ALA 52 N -3.07 0.00 -2.69 3.87 0.00 -1.24 -4.15 120.51 113.23 1b75 n ALA 52 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1b75 n ALA 52 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1b75 n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1b75 n LYS 53 N 0.00 0.00 -0.33 0.00 3.00 -1.26 -4.81 118.16 114.76 1b75 n LYS 53 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 58.31 58.46 1b75 n LYS 53 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 35.03 35.38 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b75 h ALA 54 N 1.56 1.65 -0.49 3.14 0.00 -1.91 -2.61 119.26 120.60 1b75 h ALA 54 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1b75 h ALA 54 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 1b75 h ALA 54 CO 0.00 -0.26 -0.27 -1.91 0.00 0.00 0.00 179.25 176.80 1b75 n GLU 55 N -4.92 -0.20 0.43 0.00 2.13 -1.26 -1.55 120.64 115.26 1b75 n GLU 55 Ca 0.25 0.74 -0.17 0.00 0.66 0.00 0.00 57.16 58.64 1b75 n GLU 55 Cb 0.69 -1.08 -0.08 0.00 0.27 0.00 0.00 31.44 31.24 1b75 n GLU 55 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1b75 h PHE 56 N 0.00 -1.00 -0.54 4.31 3.57 -1.62 -1.98 116.94 119.67 1b75 h PHE 56 Ca 0.09 -0.02 -0.50 0.00 3.53 0.00 0.00 57.97 61.06 1b75 h PHE 56 Cb 0.21 0.33 -0.09 0.00 2.79 0.00 0.00 35.95 39.20 1b75 h PHE 56 CO -0.49 -0.62 1.39 2.48 -2.23 0.00 0.00 178.31 178.84 1b75 n TYR 57 N -5.00 1.55 0.21 0.41 4.11 -0.60 -3.77 117.16 114.06 1b75 n TYR 57 Ca -0.13 -2.27 0.00 0.00 -0.00 0.00 0.00 57.90 55.50 1b75 n TYR 57 Cb 0.43 -1.79 0.00 0.00 -0.00 0.00 0.00 39.34 37.97 1b75 n TYR 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1b75 n SER 58 N 2.13 -3.71 -1.20 9.48 2.88 -0.91 -4.91 113.62 117.39 1b75 n SER 58 Ca 0.57 0.83 -0.04 0.00 -1.33 0.00 0.00 58.87 58.89 1b75 n SER 58 Cb 0.52 3.50 0.06 0.00 -0.75 0.00 0.00 64.21 67.54 1b75 n SER 58 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1b75 n GLU 59 N -3.35 1.53 -1.27 -1.46 1.02 -0.75 -4.99 120.64 111.38 1b75 n GLU 59 Ca 0.00 -0.81 0.14 0.00 -0.02 0.00 0.00 57.16 56.48 1b75 n GLU 59 Cb 0.00 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 29.93 1b75 n GLU 59 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1b75 n VAL 60 N 0.09 -0.37 -3.92 2.62 0.24 -1.25 -4.68 118.33 111.06 1b75 n VAL 60 Ca 0.13 0.57 -0.09 0.00 -2.04 0.00 0.00 64.34 62.92 1b75 n VAL 60 Cb 0.72 -0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 32.11 1b75 n VAL 60 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1b75 s LEU 61 N -6.58 0.12 -0.11 1.34 2.34 -0.48 -3.87 118.68 111.44 1b75 s LEU 61 Ca 0.00 -0.92 -0.03 0.00 0.06 0.00 0.00 54.13 53.24 1b75 s LEU 61 Cb 0.00 2.29 0.05 0.00 -0.56 0.00 0.00 46.19 47.97 1b75 s LEU 61 CO 0.00 -1.34 0.07 -0.89 -1.06 0.00 0.00 176.35 173.13 1b75 s THR 62 N -3.55 -0.05 -0.37 5.48 2.01 -0.06 -1.44 115.64 117.66 1b75 s THR 62 Ca 0.18 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 62.07 1b75 s THR 62 Cb -0.03 -0.42 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1b75 s THR 62 CO 0.10 -0.06 0.56 -0.63 -0.69 0.00 0.00 174.62 173.90 1b75 s ILE 63 N 2.13 4.96 -1.14 1.82 1.01 -0.26 -1.12 121.20 128.59 1b75 s ILE 63 Ca 0.03 0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 1b75 s ILE 63 Cb -0.14 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1b75 s ILE 63 CO -0.06 -0.32 1.58 -0.69 0.00 0.00 0.00 174.94 175.45 1b75 s VAL 64 N 2.51 4.00 -1.13 2.92 1.01 0.02 -0.82 120.40 128.92 1b75 s VAL 64 Ca 0.20 -1.26 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 1b75 s VAL 64 Cb -0.15 -5.12 0.10 0.00 0.00 0.00 0.00 36.38 31.21 1b75 s VAL 64 CO 0.15 -1.97 1.48 -0.69 0.00 0.00 0.00 175.10 174.06 1b75 s VAL 65 N 4.69 4.36 -0.76 2.92 1.01 -0.21 -1.41 120.40 131.01 1b75 s VAL 65 Ca 0.50 -1.67 -0.03 0.00 0.00 0.00 0.00 61.98 60.78 1b75 s VAL 65 Cb 0.02 -5.02 0.00 0.00 0.00 0.00 0.00 36.38 31.38 1b75 s VAL 65 CO -0.02 -1.82 0.65 -0.67 0.00 0.00 0.00 175.10 173.23 1b75 n ASP 66 N 7.64 -6.27 0.00 3.32 2.03 -0.92 -2.63 116.55 119.73 1b75 n ASP 66 Ca 0.37 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1b75 n ASP 66 Cb 0.47 -3.38 0.00 0.00 -0.72 0.00 0.00 41.12 37.50 1b75 n ASP 66 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b75 n GLY 67 N -1.58 1.79 3.59 0.27 0.00 -1.26 -4.96 105.19 103.04 1b75 n GLY 67 Ca -0.16 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1b75 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b75 s LYS 68 N 0.00 3.18 -1.21 1.61 1.02 -1.08 -4.91 119.74 118.35 1b75 s LYS 68 Ca 0.00 1.26 -0.20 0.00 0.02 0.00 0.00 55.97 57.05 1b75 s LYS 68 Cb 0.00 -4.24 0.01 0.00 -0.52 0.00 0.00 37.83 33.08 1b75 s LYS 68 CO 0.00 -2.05 1.78 -1.21 -0.92 0.00 0.00 175.35 172.95 1b75 s GLU 69 N 5.97 3.39 -0.57 1.68 2.02 -1.26 -1.05 118.70 128.88 1b75 s GLU 69 Ca 0.77 -1.55 -0.28 0.00 0.02 0.00 0.00 54.97 53.93 1b75 s GLU 69 Cb -0.20 -5.40 0.02 0.00 0.10 0.00 0.00 34.13 28.65 1b75 s GLU 69 CO 0.31 -2.87 1.27 0.42 0.02 0.00 0.00 175.26 174.41 1b75 s ILE 70 N 6.81 3.93 0.04 -1.63 1.01 0.00 -4.85 121.20 126.53 1b75 s ILE 70 Ca 0.59 0.82 -0.31 0.00 0.00 0.00 0.00 60.65 61.75 1b75 s ILE 70 Cb 0.01 -4.63 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 1b75 s ILE 70 CO 0.07 -1.29 1.34 -0.54 0.00 0.00 0.00 174.94 174.52 1b75 s LYS 71 N 5.15 4.33 0.14 2.79 1.02 -1.26 -1.11 119.74 130.80 1b75 s LYS 71 Ca 0.46 1.93 0.04 0.00 0.02 0.00 0.00 55.97 58.42 1b75 s LYS 71 Cb -0.09 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 1b75 s LYS 71 CO 0.25 -0.45 -0.08 0.14 -0.92 0.00 0.00 175.35 174.29 1b75 s VAL 72 N 1.69 1.00 -0.23 3.17 -7.23 -0.52 -1.37 120.40 116.91 1b75 s VAL 72 Ca 0.62 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1b75 s VAL 72 Cb -0.32 -1.86 -0.15 0.00 0.56 0.00 0.00 36.38 34.61 1b75 s VAL 72 CO 0.28 -0.73 -0.22 0.29 -0.31 0.00 0.00 175.10 174.41 1b75 n LYS 73 N -0.18 0.57 -0.46 4.82 5.02 -0.27 -1.38 118.16 126.28 1b75 n LYS 73 Ca -0.10 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1b75 n LYS 73 Cb 0.61 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b75 n ALA 74 N -3.28 -1.21 -0.46 7.82 0.00 -1.23 -4.14 120.51 118.01 1b75 n ALA 74 Ca -0.42 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1b75 n ALA 74 Cb 0.93 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1b75 n ALA 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1b75 n GLN 75 N -1.47 0.00 -2.67 0.00 6.02 -1.26 -4.75 117.38 113.25 1b75 n GLN 75 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 1b75 n GLN 75 Cb 0.08 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.32 1b75 n GLN 75 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1b75 s ASP 76 N -1.80 6.61 -0.48 1.08 2.15 -1.26 -4.95 116.67 118.02 1b75 s ASP 76 Ca 0.00 -1.82 -0.20 0.00 0.43 0.00 0.00 52.55 50.96 1b75 s ASP 76 Cb 0.00 -2.52 0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1b75 s ASP 76 CO 0.00 -1.31 0.65 0.68 -0.17 0.00 0.00 175.17 175.02 1b75 s VAL 77 N 4.12 4.82 -1.49 1.11 -7.23 -1.26 -1.85 120.40 118.63 1b75 s VAL 77 Ca 0.44 -0.18 -0.09 0.00 -1.81 0.00 0.00 61.98 60.33 1b75 s VAL 77 Cb -0.01 -4.27 0.01 0.00 0.56 0.00 0.00 36.38 32.67 1b75 s VAL 77 CO -0.07 -0.73 2.62 1.67 -0.31 0.00 0.00 175.10 178.28 1b75 n GLN 78 N 6.29 3.88 -3.59 4.82 -0.06 -0.22 -4.90 117.38 123.61 1b75 n GLN 78 Ca -0.04 -2.74 -0.20 0.00 -2.00 0.00 0.00 57.00 52.02 1b75 n GLN 78 Cb 0.47 -2.81 -0.02 0.00 -4.06 0.00 0.00 30.24 23.82 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 -0.20 0.00 0.00 177.06 175.88 1b75 s ARG 79 N 1.12 2.95 -0.06 3.69 1.04 -1.26 -1.39 118.95 125.03 1b75 s ARG 79 Ca 0.60 -1.14 0.00 0.00 -1.04 0.00 0.00 55.73 54.15 1b75 s ARG 79 Cb 0.17 -2.68 0.02 0.00 -2.04 0.00 0.00 34.95 30.42 1b75 s ARG 79 CO -0.07 0.06 -0.04 -1.58 -0.04 0.00 0.00 175.30 173.63 1b75 s HIS 80 N -2.24 0.88 0.79 5.89 2.46 -0.36 -4.97 115.29 117.75 1b75 s HIS 80 Ca 0.44 -0.30 -0.11 0.00 0.47 0.00 0.00 55.06 55.56 1b75 s HIS 80 Cb -0.08 -0.82 0.08 0.00 -0.13 0.00 0.00 32.58 31.62 1b75 s HIS 80 CO 0.29 -0.29 1.15 -1.25 -2.47 0.00 0.00 174.74 172.17 1b75 s PRO 81 N 1.36 2.00 0.00 2.88 0.04 -1.26 -3.97 135.00 136.05 1b75 s PRO 81 Ca -0.04 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1b75 s PRO 81 Cb -0.13 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1b75 s PRO 81 CO -0.03 -1.53 0.00 0.66 0.04 0.00 0.00 177.00 176.15 1b75 n TYR 82 N -3.24 0.00 -3.18 0.56 4.01 -1.26 -4.76 117.16 109.29 1b75 n TYR 82 Ca 0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.43 1b75 n TYR 82 Cb 0.61 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.58 1b75 n TYR 82 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 1b75 s LYS 83 N 0.00 4.32 -0.77 -0.72 -2.85 -1.26 -5.02 119.74 113.44 1b75 s LYS 83 Ca 0.00 0.81 -0.26 0.00 -1.00 0.00 0.00 55.97 55.52 1b75 s LYS 83 Cb 0.00 -3.30 0.02 0.00 -2.06 0.00 0.00 37.83 32.49 1b75 s LYS 83 CO 0.00 0.47 1.42 -1.25 0.10 0.00 0.00 175.35 176.09 1b75 s PRO 84 N -0.56 3.14 -0.01 1.78 0.04 -1.26 -4.69 135.00 133.45 1b75 s PRO 84 Ca 0.32 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.12 1b75 s PRO 84 Cb -0.19 -4.44 -0.00 0.00 0.04 0.00 0.00 34.50 29.91 1b75 s PRO 84 CO 0.19 -2.30 -0.04 0.15 0.04 0.00 0.00 177.00 175.04 1b75 s LYS 85 N 5.87 0.38 -0.32 4.56 -0.14 -1.25 -5.06 119.74 123.78 1b75 s LYS 85 Ca 0.43 -0.16 0.01 0.00 -1.36 0.00 0.00 55.97 54.89 1b75 s LYS 85 Cb -0.07 -0.38 0.14 0.00 -1.68 0.00 0.00 37.83 35.84 1b75 s LYS 85 CO 0.11 0.09 0.31 -1.17 -0.76 0.00 0.00 175.35 173.93 1b75 s LEU 86 N -0.05 -0.07 -0.11 3.17 2.96 -1.26 -1.22 118.68 122.11 1b75 s LEU 86 Ca 0.01 -1.14 -0.27 0.00 -0.22 0.00 0.00 54.13 52.51 1b75 s LEU 86 Cb -0.03 0.42 -0.23 0.00 0.50 0.00 0.00 46.19 46.85 1b75 s LEU 86 CO -0.00 -0.35 0.88 1.56 -1.32 0.00 0.00 176.35 177.12 1b75 h GLN 87 N 7.81 -0.01 -2.41 1.98 1.08 -1.61 -3.49 115.11 118.46 1b75 h GLN 87 Ca -0.07 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.22 1b75 h GLN 87 Cb 1.06 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.34 1b75 h GLN 87 CO 0.29 0.81 0.44 -1.58 -0.95 0.00 0.00 178.83 177.85 1b75 s HIS 88 N -2.76 -0.38 -0.04 2.96 2.46 -1.24 -4.81 115.29 111.49 1b75 s HIS 88 Ca -0.17 0.23 0.02 0.00 0.47 0.00 0.00 55.06 55.61 1b75 s HIS 88 Cb -0.02 0.54 0.01 0.00 -0.13 0.00 0.00 32.58 32.99 1b75 s HIS 88 CO 0.66 -0.60 -0.07 0.42 -2.47 0.00 0.00 174.74 172.67 1b75 s ILE 89 N -3.24 0.70 -1.10 0.89 1.09 -1.26 -1.05 121.20 117.24 1b75 s ILE 89 Ca 0.04 -0.27 -0.08 0.00 -1.10 0.00 0.00 60.65 59.24 1b75 s ILE 89 Cb -0.01 -0.66 0.28 0.00 -1.06 0.00 0.00 42.46 41.00 1b75 s ILE 89 CO -0.10 0.24 1.10 0.47 -0.10 0.00 0.00 174.94 176.56 1b75 n ASP 90 N 3.63 5.44 -4.75 3.58 9.92 -0.77 -1.79 116.55 131.80 1b75 n ASP 90 Ca -0.21 -3.07 -0.34 0.00 -0.53 0.00 0.00 54.79 50.64 1b75 n ASP 90 Cb 0.53 -1.34 0.06 0.00 -0.64 0.00 0.00 41.12 39.73 1b75 n ASP 90 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1b75 s PHE 91 N -1.38 2.37 -0.07 1.24 0.08 0.17 -4.16 117.98 116.22 1b75 s PHE 91 Ca 0.31 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.93 1b75 s PHE 91 Cb -0.09 -3.32 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1b75 s PHE 91 CO -0.08 -2.09 -0.06 0.08 -0.10 0.00 0.00 175.22 172.98 1b75 s VAL 92 N -2.12 0.76 0.48 -0.44 1.01 -1.26 -0.80 120.40 118.03 1b75 s VAL 92 Ca 0.71 -0.19 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 1b75 s VAL 92 Cb -0.25 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.27 1b75 s VAL 92 CO 0.42 0.30 1.26 0.54 0.00 0.00 0.00 175.10 177.62 1b75 n ARG 93 N 4.47 1.75 0.00 2.72 1.74 -0.97 -1.11 116.66 125.26 1b75 n ARG 93 Ca -0.17 0.63 0.16 0.00 -0.77 0.00 0.00 57.85 57.70 1b75 n ARG 93 Cb 0.51 -2.42 0.95 0.00 -1.02 0.00 0.00 32.46 30.47 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11