#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 2.67 -1.07 2.03 0.08 -1.26 -4.69 117.98 115.74 1b75 s PHE 2 Ca 0.00 0.98 -0.13 0.00 0.12 0.00 0.00 56.93 57.91 1b75 s PHE 2 Cb 0.00 -4.04 0.22 0.00 -0.57 0.00 0.00 43.02 38.62 1b75 s PHE 2 CO 0.00 -3.27 1.15 0.99 -0.10 0.00 0.00 175.22 173.98 1b75 s THR 3 N -0.59 5.49 -0.24 0.64 2.01 -1.26 -2.48 115.64 119.21 1b75 s THR 3 Ca 0.58 -2.78 -0.27 0.00 0.31 0.00 0.00 61.69 59.52 1b75 s THR 3 Cb -0.47 -4.69 0.00 0.00 0.01 0.00 0.00 72.50 67.35 1b75 s THR 3 CO 0.56 -1.33 0.95 -0.63 -0.69 0.00 0.00 174.62 173.48 1b75 s ILE 4 N 0.34 4.75 0.24 1.82 1.09 -1.05 -4.94 121.20 123.44 1b75 s ILE 4 Ca 0.32 1.82 -0.30 0.00 -1.10 0.00 0.00 60.65 61.39 1b75 s ILE 4 Cb -0.07 -4.22 -0.10 0.00 -1.06 0.00 0.00 42.46 37.00 1b75 s ILE 4 CO -0.06 -0.14 1.44 0.20 -0.10 0.00 0.00 174.94 176.29 1b75 s ASN 5 N 1.27 6.66 0.18 3.58 -0.87 -1.26 -1.26 114.94 123.25 1b75 s ASN 5 Ca 0.40 2.64 -0.20 0.00 -1.57 0.00 0.00 52.86 54.13 1b75 s ASN 5 Cb -0.15 -2.62 0.05 0.00 -0.02 0.00 0.00 41.25 38.51 1b75 s ASN 5 CO 0.07 -0.70 0.57 0.00 -2.57 0.00 0.00 177.10 174.47 1b75 s ALA 6 N 0.10 -1.29 0.21 0.60 0.00 -1.06 -4.09 121.76 116.24 1b75 s ALA 6 Ca 0.60 0.12 -0.05 0.00 0.00 0.00 0.00 51.96 52.63 1b75 s ALA 6 Cb -0.42 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1b75 s ALA 6 CO 0.42 -0.80 0.24 -1.21 0.00 0.00 0.00 175.76 174.41 1b75 s GLU 7 N -3.81 1.30 0.38 0.00 2.02 -1.25 -2.65 118.70 114.69 1b75 s GLU 7 Ca 0.05 -1.49 -0.28 0.00 0.02 0.00 0.00 54.97 53.27 1b75 s GLU 7 Cb -0.01 0.34 -0.11 0.00 0.10 0.00 0.00 34.13 34.44 1b75 s GLU 7 CO -0.07 -0.47 1.44 1.33 0.02 0.00 0.00 175.26 177.51 1b75 n VAL 8 N -0.30 2.10 -1.81 2.63 0.24 -1.26 -1.21 118.33 118.72 1b75 n VAL 8 Ca 0.00 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.42 1b75 n VAL 8 Cb 0.65 -1.88 -0.03 0.00 -1.47 0.00 0.00 33.84 31.11 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 -2.11 2.58 -0.29 7.34 3.52 -1.21 -4.46 118.95 124.33 1b75 s ARG 9 Ca 0.55 1.16 -0.15 0.00 -0.13 0.00 0.00 55.73 57.16 1b75 s ARG 9 Cb -0.49 -4.43 0.14 0.00 -1.56 0.00 0.00 34.95 28.61 1b75 s ARG 9 CO 0.63 -2.75 0.92 0.21 -0.81 0.00 0.00 175.30 173.50 1b75 s LYS 10 N 7.23 0.40 -0.34 5.12 2.20 -1.26 -4.24 119.74 128.84 1b75 s LYS 10 Ca 0.84 0.81 0.03 0.00 -0.36 0.00 0.00 55.97 57.29 1b75 s LYS 10 Cb -0.18 0.27 0.16 0.00 -1.51 0.00 0.00 37.83 36.57 1b75 s LYS 10 CO 0.26 -0.10 0.43 -2.00 -0.36 0.00 0.00 175.35 173.58 1b75 s GLU 11 N 1.86 0.57 -1.03 4.03 -6.30 -0.35 -4.69 118.70 112.79 1b75 s GLU 11 Ca -0.07 -0.34 -0.18 0.00 -2.50 0.00 0.00 54.97 51.89 1b75 s GLU 11 Cb -0.05 -0.42 0.02 0.00 0.00 0.00 0.00 34.13 33.68 1b75 s GLU 11 CO -0.17 -1.13 0.67 1.04 0.02 0.00 0.00 175.26 175.70 1b75 n GLN 12 N 4.75 -0.94 -3.67 4.30 6.02 -1.26 -1.87 117.38 124.72 1b75 n GLN 12 Ca 0.06 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1b75 n GLN 12 Cb 0.49 -2.84 0.00 0.00 1.02 0.00 0.00 30.24 28.91 1b75 n GLN 12 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b75 n GLY 13 N -1.85 -0.96 0.22 1.08 0.00 -1.26 -4.42 105.19 98.00 1b75 n GLY 13 Ca -0.18 -1.02 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1b75 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b75 h LYS 14 N 0.00 -0.51 0.00 1.61 1.57 -1.93 -3.47 116.57 113.84 1b75 h LYS 14 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1b75 h LYS 14 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1b75 h LYS 14 CO 0.00 -0.34 0.00 0.41 -0.57 0.00 0.00 179.45 178.95 1b75 n GLY 15 N -0.00 1.54 3.60 3.86 0.00 -1.26 -4.26 105.19 108.67 1b75 n GLY 15 Ca -0.07 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.48 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 -2.26 2.98 0.16 4.61 0.00 -1.26 -1.22 121.76 124.78 1b75 s ALA 16 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1b75 s ALA 16 Cb 0.00 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1b75 s ALA 16 CO 0.00 -2.46 0.00 0.43 0.00 0.00 0.00 175.76 173.73 1b75 n SER 17 N 9.54 0.10 -2.35 0.00 7.64 -1.19 -4.78 113.62 122.59 1b75 n SER 17 Ca 0.20 0.27 -0.20 0.00 1.01 0.00 0.00 58.87 60.15 1b75 n SER 17 Cb 0.47 0.15 -0.12 0.00 -1.01 0.00 0.00 64.21 63.70 1b75 n SER 17 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1b75 n ARG 18 N -3.21 2.43 0.04 1.43 0.63 -0.78 -3.64 116.66 113.56 1b75 n ARG 18 Ca 0.00 -1.61 0.00 0.00 -0.92 0.00 0.00 57.85 55.32 1b75 n ARG 18 Cb 0.04 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 30.79 1b75 n ARG 18 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1b75 n ARG 19 N 2.17 0.00 -0.24 -0.14 0.63 -1.26 -4.92 116.66 112.89 1b75 n ARG 19 Ca 0.50 0.00 0.27 0.00 -0.92 0.00 0.00 57.85 57.69 1b75 n ARG 19 Cb 0.71 0.00 0.64 0.00 0.45 0.00 0.00 32.46 34.27 1b75 n ARG 19 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1b75 h LEU 20 N 0.00 0.17 -1.03 6.15 3.38 -1.77 -0.93 115.31 121.28 1b75 h LEU 20 Ca 0.00 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.37 1b75 h LEU 20 Cb 0.00 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.58 1b75 h LEU 20 CO 0.00 0.05 0.58 0.03 0.09 0.00 0.00 178.44 179.19 1b75 h ARG 21 N 0.16 0.14 0.00 1.13 3.08 -1.93 -3.40 114.38 113.56 1b75 h ARG 21 Ca 0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1b75 h ARG 21 Cb 1.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.67 1b75 h ARG 21 CO -0.10 0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.90 1b75 n ALA 22 N -2.29 1.30 -1.76 0.04 0.00 -0.81 -5.13 120.51 111.85 1b75 n ALA 22 Ca 0.35 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 1b75 n ALA 22 Cb 1.17 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.65 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 -2.00 2.61 -0.76 0.00 0.00 -0.42 -4.88 121.76 116.31 1b75 s ALA 23 Ca 0.00 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 1b75 s ALA 23 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1b75 s ALA 23 CO 0.00 -1.12 1.85 -0.80 0.00 0.00 0.00 175.76 175.70 1b75 s ASN 24 N -1.53 5.31 0.13 0.00 0.01 -1.26 -4.40 114.94 113.20 1b75 s ASN 24 Ca 0.76 -0.21 -0.24 0.00 -0.71 0.00 0.00 52.86 52.46 1b75 s ASN 24 Cb -0.31 -2.55 0.07 0.00 0.41 0.00 0.00 41.25 38.88 1b75 s ASN 24 CO 0.34 -2.47 0.66 -0.75 -1.51 0.00 0.00 177.10 173.36 1b75 s LYS 25 N 6.88 1.21 -0.02 -0.60 2.20 -1.26 -3.38 119.74 124.76 1b75 s LYS 25 Ca 0.66 -0.45 -0.22 0.00 -0.36 0.00 0.00 55.97 55.60 1b75 s LYS 25 Cb -0.09 0.55 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 1b75 s LYS 25 CO 0.10 -0.53 0.47 -0.59 -0.36 0.00 0.00 175.35 174.44 1b75 s PHE 26 N -3.63 -0.38 0.36 4.03 -0.71 -1.22 -4.75 117.98 111.68 1b75 s PHE 26 Ca 0.02 0.62 -0.24 0.00 -1.04 0.00 0.00 56.93 56.28 1b75 s PHE 26 Cb -0.01 0.23 -0.10 0.00 -1.21 0.00 0.00 43.02 41.93 1b75 s PHE 26 CO -0.12 -0.49 0.96 -1.25 -1.34 0.00 0.00 175.22 172.98 1b75 s PRO 27 N -1.35 4.43 0.29 1.99 0.04 -1.26 -3.17 135.00 135.98 1b75 s PRO 27 Ca -0.12 1.28 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1b75 s PRO 27 Cb -0.03 -2.58 -0.06 0.00 0.04 0.00 0.00 34.50 31.87 1b75 s PRO 27 CO 0.06 0.14 0.08 0.00 0.04 0.00 0.00 177.00 177.32 1b75 s ALA 28 N -1.80 2.06 0.01 8.56 0.00 -0.51 -4.42 121.76 125.66 1b75 s ALA 28 Ca 0.55 -1.96 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1b75 s ALA 28 Cb -0.16 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 23.80 1b75 s ALA 28 CO 0.21 -0.38 -0.06 0.42 0.00 0.00 0.00 175.76 175.94 1b75 s ILE 29 N -3.52 0.46 -0.32 0.00 1.01 -0.32 -0.91 121.20 117.61 1b75 s ILE 29 Ca 0.37 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1b75 s ILE 29 Cb 0.08 -0.43 0.05 0.00 0.01 0.00 0.00 42.46 42.17 1b75 s ILE 29 CO 0.15 -0.03 0.03 -0.63 0.00 0.00 0.00 174.94 174.46 1b75 s ILE 30 N -0.49 3.14 0.64 2.92 1.01 -0.32 -1.15 121.20 126.94 1b75 s ILE 30 Ca -0.01 -1.40 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 1b75 s ILE 30 Cb -0.04 -2.83 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 1b75 s ILE 30 CO -0.00 -0.17 1.04 -0.31 0.00 0.00 0.00 174.94 175.50 1b75 s TYR 31 N 1.27 3.43 -0.28 3.97 1.51 0.13 -2.62 117.35 124.76 1b75 s TYR 31 Ca -0.03 1.35 -0.25 0.00 -1.01 0.00 0.00 57.07 57.12 1b75 s TYR 31 Cb -0.20 -2.79 0.14 0.00 -0.11 0.00 0.00 41.96 39.01 1b75 s TYR 31 CO -0.01 -0.86 1.16 0.20 -1.11 0.00 0.00 175.55 174.93 1b75 s GLY 32 N -3.95 -0.00 -1.34 0.71 0.00 -1.26 -2.96 107.32 98.51 1b75 s GLY 32 Ca 0.56 2.90 -0.14 0.00 0.00 0.00 0.00 44.72 48.04 1b75 s GLY 32 CO 0.53 1.80 2.32 0.61 0.00 0.00 0.00 173.10 178.36 1b75 n GLY 33 N 1.90 3.99 0.02 0.20 0.00 -1.26 -3.23 105.19 106.81 1b75 n GLY 33 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1b75 n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 34 N 5.61 0.00 -3.91 1.61 4.81 -1.26 -5.17 118.16 119.86 1b75 n LYS 34 Ca 0.57 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.92 1b75 n LYS 34 Cb 0.34 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.32 1b75 n LYS 34 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1b75 s GLU 35 N -1.02 0.94 0.56 1.64 2.12 -1.20 -5.15 118.70 116.59 1b75 s GLU 35 Ca 0.00 -1.06 -0.20 0.00 0.36 0.00 0.00 54.97 54.07 1b75 s GLU 35 Cb 0.00 0.34 -0.06 0.00 0.26 0.00 0.00 34.13 34.68 1b75 s GLU 35 CO 0.00 -0.31 1.04 0.00 -0.54 0.00 0.00 175.26 175.46 1b75 n ALA 36 N -0.10 0.44 -2.12 6.30 0.00 -1.26 -4.38 120.51 119.38 1b75 n ALA 36 Ca -0.12 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.01 1b75 n ALA 36 Cb 0.63 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.66 2.71 0.59 0.00 0.04 -1.26 -4.86 135.00 129.55 1b75 s PRO 37 Ca 0.73 0.30 -0.18 0.00 0.04 0.00 0.00 61.00 61.90 1b75 s PRO 37 Cb -0.44 -4.50 -0.04 0.00 0.04 0.00 0.00 34.50 29.56 1b75 s PRO 37 CO 0.49 -2.75 1.11 -0.48 0.04 0.00 0.00 177.00 175.41 1b75 s LEU 38 N 8.70 3.60 0.09 -3.56 0.05 -1.08 -4.75 118.68 121.74 1b75 s LEU 38 Ca 0.63 2.07 0.05 0.00 0.05 0.00 0.00 54.13 56.93 1b75 s LEU 38 Cb -0.11 -4.56 -0.04 0.00 -2.05 0.00 0.00 46.19 39.43 1b75 s LEU 38 CO 0.15 -1.34 -0.04 0.00 -0.55 0.00 0.00 176.35 174.58 1b75 s ALA 39 N -2.05 3.17 0.11 1.48 0.00 -1.26 -1.17 121.76 122.04 1b75 s ALA 39 Ca 0.70 -1.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1b75 s ALA 39 Cb -0.21 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1b75 s ALA 39 CO 0.33 0.68 0.12 0.96 0.00 0.00 0.00 175.76 177.84 1b75 s ILE 40 N -1.26 0.13 0.42 0.00 -4.36 -0.09 -3.29 121.20 112.76 1b75 s ILE 40 Ca 0.24 -1.61 -0.21 0.00 -0.26 0.00 0.00 60.65 58.81 1b75 s ILE 40 Cb -0.11 -1.73 -0.11 0.00 1.25 0.00 0.00 42.46 41.75 1b75 s ILE 40 CO 0.16 -0.58 0.95 -1.61 0.24 0.00 0.00 174.94 174.10 1b75 s GLU 41 N -3.96 4.24 -0.22 0.37 0.41 -0.35 -1.42 118.70 117.76 1b75 s GLU 41 Ca 0.15 1.12 -0.04 0.00 -0.41 0.00 0.00 54.97 55.78 1b75 s GLU 41 Cb 0.06 -2.21 0.11 0.00 -1.78 0.00 0.00 34.13 30.32 1b75 s GLU 41 CO -0.04 -0.01 0.37 -1.17 -0.49 0.00 0.00 175.26 173.92 1b75 s LEU 42 N -3.13 -0.59 -0.42 1.80 2.96 -1.19 -3.82 118.68 114.29 1b75 s LEU 42 Ca 0.61 0.46 -0.28 0.00 -0.22 0.00 0.00 54.13 54.70 1b75 s LEU 42 Cb -0.09 1.12 -0.00 0.00 0.50 0.00 0.00 46.19 47.71 1b75 s LEU 42 CO 0.13 -0.28 1.62 -1.81 -1.32 0.00 0.00 176.35 174.70 1b75 s ASP 43 N 2.55 6.01 -1.07 3.68 1.01 -1.26 -3.44 116.67 124.15 1b75 s ASP 43 Ca 0.08 0.90 -0.20 0.00 0.71 0.00 0.00 52.55 54.03 1b75 s ASP 43 Cb -0.14 -2.53 -0.07 0.00 1.01 0.00 0.00 42.92 41.18 1b75 s ASP 43 CO -0.14 -1.69 1.97 1.57 0.21 0.00 0.00 175.17 177.10 1b75 n HIS 44 N 9.95 2.76 0.00 4.23 -0.00 -1.22 -3.08 115.22 127.86 1b75 n HIS 44 Ca 0.19 -2.13 0.00 0.00 -0.00 0.00 0.00 57.72 55.78 1b75 n HIS 44 Cb 0.48 -2.20 0.00 0.00 -0.00 0.00 0.00 29.99 28.27 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 8.69 0.00 -0.11 0.26 2.03 -1.26 -4.77 116.55 121.39 1b75 n ASP 45 Ca 0.49 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.70 1b75 n ASP 45 Cb 0.42 0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 41.17 1b75 n ASP 45 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1b75 h LYS 46 N 0.00 0.53 -0.42 -0.67 3.64 -2.00 -2.70 116.57 114.95 1b75 h LYS 46 Ca 0.00 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 1b75 h LYS 46 Cb 0.00 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1b75 h LYS 46 CO 0.00 0.60 -0.01 -0.24 -2.27 0.00 0.00 179.45 177.53 1b75 h VAL 47 N 0.37 1.23 -0.85 2.00 3.04 -1.91 -1.10 116.25 119.04 1b75 h VAL 47 Ca 0.10 -0.95 0.02 0.00 -1.01 0.00 0.00 66.70 64.87 1b75 h VAL 47 Cb 0.32 0.93 -0.05 0.00 -2.01 0.00 0.00 31.29 30.48 1b75 h VAL 47 CO 0.00 0.33 0.56 -0.03 -1.01 0.00 0.00 177.57 177.42 1b75 h MET 48 N 0.64 1.06 0.34 4.17 1.85 -1.72 0.41 114.93 121.69 1b75 h MET 48 Ca 0.13 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.14 1b75 h MET 48 Cb 0.42 -0.24 0.00 0.00 0.43 0.00 0.00 31.60 32.22 1b75 h MET 48 CO 0.02 0.70 -0.16 -0.91 -0.40 0.00 0.00 176.91 176.15 1b75 h ASN 49 N 1.09 -0.39 -0.79 1.39 2.35 -1.25 -3.37 115.58 114.62 1b75 h ASN 49 Ca 0.33 -0.04 0.15 0.00 -0.55 0.00 0.00 56.30 56.19 1b75 h ASN 49 Cb -0.03 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 1b75 h ASN 49 CO -0.09 0.07 0.52 0.24 -1.65 0.00 0.00 177.43 176.52 1b75 h MET 50 N -1.10 0.47 0.00 0.81 2.86 -0.97 -2.17 114.93 114.84 1b75 h MET 50 Ca -0.05 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1b75 h MET 50 Cb 0.40 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1b75 h MET 50 CO 0.08 0.31 -0.05 -0.56 1.06 0.00 0.00 176.91 177.75 1b75 h GLN 51 N 0.49 0.00 0.00 1.72 -0.00 -1.08 -3.45 115.11 112.79 1b75 h GLN 51 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.04 1b75 h GLN 51 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.28 1b75 h GLN 51 CO -0.14 0.05 0.00 0.00 -0.00 0.00 0.00 178.83 178.74 1b75 n ALA 52 N -2.23 0.00 0.00 0.06 0.00 -0.82 -4.51 120.51 113.00 1b75 n ALA 52 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1b75 n ALA 52 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1b75 n ALA 52 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1b75 n LYS 53 N 0.00 0.00 0.00 0.00 2.85 -1.26 -5.01 118.16 114.74 1b75 n LYS 53 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1b75 n LYS 53 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b75 n ALA 54 N -0.64 0.00 -0.13 0.58 0.00 -1.26 -4.36 120.51 114.70 1b75 n ALA 54 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1b75 n ALA 54 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1b75 n ALA 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1b75 h GLU 55 N 0.00 0.08 -2.00 0.00 4.81 -1.96 -3.02 114.58 112.49 1b75 h GLU 55 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1b75 h GLU 55 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1b75 h GLU 55 CO 0.00 0.05 -0.12 0.34 -0.73 0.00 0.00 179.01 178.56 1b75 n PHE 56 N -5.23 0.00 0.10 0.92 7.35 -1.26 -2.35 117.46 116.99 1b75 n PHE 56 Ca 0.03 -1.14 0.00 0.00 -0.76 0.00 0.00 57.45 55.58 1b75 n PHE 56 Cb 0.23 -0.83 0.00 0.00 0.35 0.00 0.00 39.48 39.23 1b75 n PHE 56 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1b75 n TYR 57 N 1.80 -2.53 -0.01 -5.13 4.02 -1.16 -4.69 117.16 109.47 1b75 n TYR 57 Ca 0.13 0.56 -0.13 0.00 -0.01 0.00 0.00 57.90 58.45 1b75 n TYR 57 Cb 0.62 1.47 -0.10 0.00 -0.02 0.00 0.00 39.34 41.32 1b75 n TYR 57 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1b75 h SER 58 N 0.00 -0.01 -0.25 7.72 0.87 -1.56 -3.29 113.55 117.03 1b75 h SER 58 Ca 0.00 -0.44 -0.05 0.00 -1.23 0.00 0.00 61.79 60.07 1b75 h SER 58 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1b75 h SER 58 CO 0.00 0.44 0.06 -0.62 -0.53 0.00 0.00 176.83 176.18 1b75 n GLU 59 N -4.88 2.16 -0.99 2.24 1.02 -0.99 -5.01 120.64 114.19 1b75 n GLU 59 Ca -0.08 -1.12 0.13 0.00 -0.02 0.00 0.00 57.16 56.06 1b75 n GLU 59 Cb 0.23 -1.69 -0.04 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 0.14 0.00 -3.69 2.62 0.24 -1.24 -4.71 118.33 111.69 1b75 n VAL 60 Ca 0.13 0.06 -0.05 0.00 -2.04 0.00 0.00 64.34 62.44 1b75 n VAL 60 Cb 0.68 -0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 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 -5.22 -0.25 -0.00 1.34 2.34 -0.98 -4.33 118.68 111.58 1b75 s LEU 61 Ca 0.00 -0.32 -0.04 0.00 0.06 0.00 0.00 54.13 53.83 1b75 s LEU 61 Cb 0.00 2.23 -0.00 0.00 -0.56 0.00 0.00 46.19 47.86 1b75 s LEU 61 CO 0.00 -0.91 0.07 -0.89 -1.06 0.00 0.00 176.35 173.56 1b75 s THR 62 N -3.36 0.07 -0.13 5.48 2.01 -1.03 -1.31 115.64 117.36 1b75 s THR 62 Ca 0.10 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.54 1b75 s THR 62 Cb -0.02 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.21 1b75 s THR 62 CO -0.00 -0.31 -0.16 -0.63 -0.69 0.00 0.00 174.62 172.82 1b75 s ILE 63 N -1.01 1.61 -1.21 1.82 1.01 -0.54 -2.53 121.20 120.35 1b75 s ILE 63 Ca -0.11 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1b75 s ILE 63 Cb -0.06 -1.48 0.10 0.00 0.01 0.00 0.00 42.46 41.03 1b75 s ILE 63 CO 0.00 0.46 1.58 -0.69 0.00 0.00 0.00 174.94 176.29 1b75 s VAL 64 N 1.15 4.39 -1.24 2.92 1.01 -0.39 -1.19 120.40 127.05 1b75 s VAL 64 Ca -0.02 -1.94 -0.19 0.00 0.00 0.00 0.00 61.98 59.82 1b75 s VAL 64 Cb -0.14 -5.07 0.06 0.00 0.00 0.00 0.00 36.38 31.23 1b75 s VAL 64 CO -0.05 -1.87 1.69 -0.69 0.00 0.00 0.00 175.10 174.17 1b75 s VAL 65 N 3.49 4.06 -0.83 2.92 1.01 -0.02 -2.55 120.40 128.49 1b75 s VAL 65 Ca 0.48 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1b75 s VAL 65 Cb 0.01 -5.15 -0.00 0.00 0.00 0.00 0.00 36.38 31.24 1b75 s VAL 65 CO 0.02 -1.98 0.67 -0.67 0.00 0.00 0.00 175.10 173.15 1b75 n ASP 66 N 8.69 -6.28 0.00 3.32 2.03 -1.08 -2.51 116.55 120.72 1b75 n ASP 66 Ca 0.46 -0.56 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1b75 n ASP 66 Cb 0.47 -3.57 0.00 0.00 -0.72 0.00 0.00 41.12 37.30 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 -1.71 1.73 3.61 0.27 0.00 -1.26 -4.96 105.19 102.88 1b75 n GLY 67 Ca -0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 1b75 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b75 s LYS 68 N 0.00 3.35 -1.26 1.61 2.47 -1.04 -4.88 119.74 119.98 1b75 s LYS 68 Ca 0.00 2.01 -0.18 0.00 -1.56 0.00 0.00 55.97 56.24 1b75 s LYS 68 Cb 0.00 -4.30 0.00 0.00 -1.46 0.00 0.00 37.83 32.08 1b75 s LYS 68 CO 0.00 -1.85 1.95 -0.85 0.16 0.00 0.00 175.35 174.76 1b75 n GLU 69 N 8.46 2.61 -2.14 4.03 0.28 -1.26 -0.84 120.64 131.78 1b75 n GLU 69 Ca 0.27 -2.74 -0.40 0.00 -0.16 0.00 0.00 57.16 54.13 1b75 n GLU 69 Cb 0.45 -3.39 -0.03 0.00 1.43 0.00 0.00 31.44 29.90 1b75 n GLU 69 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1b75 s ILE 70 N 5.06 3.48 0.06 3.84 -1.09 -0.34 -4.84 121.20 127.37 1b75 s ILE 70 Ca 0.54 0.34 -0.28 0.00 -2.23 0.00 0.00 60.65 59.02 1b75 s ILE 70 Cb 0.08 -4.08 -0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1b75 s ILE 70 CO 0.04 -0.98 0.87 -0.54 -1.23 0.00 0.00 174.94 173.10 1b75 s LYS 71 N 6.49 4.58 0.24 2.79 1.02 -1.26 -1.46 119.74 132.15 1b75 s LYS 71 Ca 0.63 1.27 0.01 0.00 0.02 0.00 0.00 55.97 57.90 1b75 s LYS 71 Cb -0.13 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 1b75 s LYS 71 CO 0.22 0.18 0.14 0.14 -0.92 0.00 0.00 175.35 175.12 1b75 s VAL 72 N 0.21 0.20 0.00 3.17 -7.23 -0.42 -1.46 120.40 114.86 1b75 s VAL 72 Ca 0.44 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1b75 s VAL 72 Cb -0.21 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.19 1b75 s VAL 72 CO 0.26 0.00 0.33 0.29 -0.31 0.00 0.00 175.10 175.67 1b75 n LYS 73 N -0.41 -0.46 -2.89 4.82 5.02 -0.31 -2.32 118.16 121.62 1b75 n LYS 73 Ca 0.02 -0.34 -0.08 0.00 -2.02 0.00 0.00 58.31 55.88 1b75 n LYS 73 Cb 0.66 -0.80 0.01 0.00 -0.02 0.00 0.00 35.03 34.88 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 -0.02 -3.04 0.26 7.82 0.00 -1.25 -4.42 120.51 119.86 1b75 n ALA 74 Ca 0.00 0.88 -0.15 0.00 0.00 0.00 0.00 53.44 54.17 1b75 n ALA 74 Cb 0.12 -2.79 -0.08 0.00 0.00 0.00 0.00 19.45 16.70 1b75 n ALA 74 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1b75 h GLN 75 N 2.36 -0.65 -4.39 0.00 5.75 -1.84 -3.44 115.11 112.90 1b75 h GLN 75 Ca -0.05 0.04 -0.43 0.00 -0.15 0.00 0.00 58.65 58.06 1b75 h GLN 75 Cb 0.77 0.15 -0.32 0.00 1.07 0.00 0.00 27.48 29.15 1b75 h GLN 75 CO 0.17 -0.35 -0.78 0.34 -2.65 0.00 0.00 178.83 175.55 1b75 s ASP 76 N -4.73 1.16 -0.14 -0.69 2.15 -1.05 -5.06 116.67 108.30 1b75 s ASP 76 Ca -0.15 -0.18 0.02 0.00 0.43 0.00 0.00 52.55 52.67 1b75 s ASP 76 Cb 0.03 -0.41 0.01 0.00 -0.30 0.00 0.00 42.92 42.25 1b75 s ASP 76 CO 0.55 0.02 -0.20 0.68 -0.17 0.00 0.00 175.17 176.06 1b75 s VAL 77 N 0.46 1.91 -1.38 1.11 -7.23 -1.26 -1.08 120.40 112.92 1b75 s VAL 77 Ca -0.07 -0.87 -0.08 0.00 -1.81 0.00 0.00 61.98 59.15 1b75 s VAL 77 Cb -0.11 -1.71 0.09 0.00 0.56 0.00 0.00 36.38 35.21 1b75 s VAL 77 CO 0.01 0.52 2.34 0.00 -0.31 0.00 0.00 175.10 177.66 1b75 n GLN 78 N 4.28 4.05 -1.33 4.82 6.02 -0.61 -4.95 117.38 129.65 1b75 n GLN 78 Ca -0.20 -3.18 -0.29 0.00 -0.01 0.00 0.00 57.00 53.32 1b75 n GLN 78 Cb 0.51 -2.79 0.16 0.00 1.02 0.00 0.00 30.24 29.14 1b75 n GLN 78 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1b75 s ARG 79 N 0.19 0.68 -0.15 -1.09 1.70 -1.26 -3.28 118.95 115.74 1b75 s ARG 79 Ca 0.53 0.39 -0.02 0.00 -0.47 0.00 0.00 55.73 56.15 1b75 s ARG 79 Cb 0.16 -1.78 0.05 0.00 -0.57 0.00 0.00 34.95 32.81 1b75 s ARG 79 CO -0.06 -2.53 0.01 -1.58 -1.08 0.00 0.00 175.30 170.06 1b75 s HIS 80 N -3.11 0.95 0.83 5.89 2.46 -0.64 -4.96 115.29 116.72 1b75 s HIS 80 Ca 0.65 -0.62 -0.12 0.00 0.47 0.00 0.00 55.06 55.44 1b75 s HIS 80 Cb -0.17 -0.97 0.09 0.00 -0.13 0.00 0.00 32.58 31.40 1b75 s HIS 80 CO 0.56 -0.51 1.13 -1.25 -2.47 0.00 0.00 174.74 172.20 1b75 s PRO 81 N 1.88 1.83 0.00 2.88 0.04 -1.26 -3.77 135.00 136.60 1b75 s PRO 81 Ca 0.02 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1b75 s PRO 81 Cb -0.15 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1b75 s PRO 81 CO -0.07 -1.73 0.00 0.66 0.04 0.00 0.00 177.00 175.90 1b75 n TYR 82 N -3.46 0.00 -3.56 0.56 4.01 -1.26 -4.68 117.16 108.77 1b75 n TYR 82 Ca 0.07 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.41 1b75 n TYR 82 Cb 0.59 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.51 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 3.36 -0.37 -0.72 0.00 -1.26 -5.05 119.74 115.70 1b75 s LYS 83 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 55.97 54.95 1b75 s LYS 83 Cb 0.00 -3.76 -0.00 0.00 0.00 0.00 0.00 37.83 34.07 1b75 s LYS 83 CO 0.00 -0.48 1.56 -1.25 0.00 0.00 0.00 175.35 175.17 1b75 s PRO 84 N 1.68 3.52 -0.07 1.78 0.04 -1.26 -4.66 135.00 136.03 1b75 s PRO 84 Ca 0.05 1.17 -0.11 0.00 0.04 0.00 0.00 61.00 62.16 1b75 s PRO 84 Cb -0.18 -4.08 0.02 0.00 0.04 0.00 0.00 34.50 30.31 1b75 s PRO 84 CO 0.09 -1.63 0.27 0.15 0.04 0.00 0.00 177.00 175.92 1b75 s LYS 85 N 5.14 0.43 0.14 4.56 -0.14 -1.25 -5.03 119.74 123.59 1b75 s LYS 85 Ca 0.68 0.15 0.10 0.00 -1.36 0.00 0.00 55.97 55.54 1b75 s LYS 85 Cb -0.18 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.13 1b75 s LYS 85 CO 0.32 -0.08 -0.24 -0.51 -0.76 0.00 0.00 175.35 174.09 1b75 s LEU 86 N -0.40 2.36 0.00 3.17 1.43 -1.26 -1.62 118.68 122.36 1b75 s LEU 86 Ca -0.05 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1b75 s LEU 86 Cb -0.03 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.11 1b75 s LEU 86 CO 0.01 0.11 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1b75 n GLN 87 N 0.73 0.00 -3.47 1.70 1.13 -1.20 -4.97 117.38 111.29 1b75 n GLN 87 Ca -0.16 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.79 1b75 n GLN 87 Cb 0.54 -0.52 -0.02 0.00 0.11 0.00 0.00 30.24 30.36 1b75 n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 1b75 s HIS 88 N -1.97 -0.47 -0.00 1.08 2.46 -1.26 -4.62 115.29 110.51 1b75 s HIS 88 Ca 0.00 0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.80 1b75 s HIS 88 Cb 0.00 0.56 0.00 0.00 -0.13 0.00 0.00 32.58 33.02 1b75 s HIS 88 CO 0.00 -0.80 -0.02 0.42 -2.47 0.00 0.00 174.74 171.88 1b75 s ILE 89 N -3.60 0.14 -0.76 0.89 1.01 -1.26 -1.57 121.20 116.05 1b75 s ILE 89 Ca 0.03 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1b75 s ILE 89 Cb -0.01 -0.14 0.19 0.00 0.01 0.00 0.00 42.46 42.50 1b75 s ILE 89 CO -0.11 0.05 0.60 0.47 0.00 0.00 0.00 174.94 175.95 1b75 n ASP 90 N 3.17 3.43 -4.79 3.58 9.92 -0.24 -1.17 116.55 130.44 1b75 n ASP 90 Ca -0.14 -3.21 -0.31 0.00 -0.53 0.00 0.00 54.79 50.60 1b75 n ASP 90 Cb 0.58 -0.84 0.07 0.00 -0.64 0.00 0.00 41.12 40.29 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 -1.53 2.85 -0.03 1.24 0.08 -0.30 -2.53 117.98 117.76 1b75 s PHE 91 Ca 0.27 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.83 1b75 s PHE 91 Cb -0.04 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.44 1b75 s PHE 91 CO -0.15 -1.49 -0.09 0.08 -0.10 0.00 0.00 175.22 173.48 1b75 s VAL 92 N -2.91 0.77 0.34 -0.44 1.01 -1.26 -0.70 120.40 117.22 1b75 s VAL 92 Ca 0.60 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1b75 s VAL 92 Cb -0.16 -0.70 -0.12 0.00 0.00 0.00 0.00 36.38 35.41 1b75 s VAL 92 CO 0.54 0.25 1.48 0.54 0.00 0.00 0.00 175.10 177.90 1b75 n ARG 93 N 3.41 2.55 0.00 2.72 1.74 -1.16 -1.16 116.66 124.77 1b75 n ARG 93 Ca -0.19 0.90 0.09 0.00 -0.77 0.00 0.00 57.85 57.88 1b75 n ARG 93 Cb 0.54 -2.61 0.56 0.00 -1.02 0.00 0.00 32.46 29.92 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11