#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 1.16 -0.73 3.17 0.08 -1.26 -5.00 117.98 115.40 1b75 s PHE 2 Ca 0.00 -0.42 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1b75 s PHE 2 Cb 0.00 -0.67 0.19 0.00 -0.57 0.00 0.00 43.02 41.97 1b75 s PHE 2 CO 0.00 0.04 0.63 0.99 -0.10 0.00 0.00 175.22 176.77 1b75 s THR 3 N -1.13 4.95 -0.46 0.64 2.01 -1.26 -1.19 115.64 119.20 1b75 s THR 3 Ca -0.02 -2.49 -0.29 0.00 0.31 0.00 0.00 61.69 59.20 1b75 s THR 3 Cb -0.09 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.32 1b75 s THR 3 CO 0.02 -0.96 1.26 -0.63 -0.69 0.00 0.00 174.62 173.62 1b75 s ILE 4 N 0.28 4.06 -0.01 1.82 1.09 -0.08 -4.93 121.20 123.43 1b75 s ILE 4 Ca 0.16 1.07 -0.30 0.00 -1.10 0.00 0.00 60.65 60.48 1b75 s ILE 4 Cb -0.16 -4.45 -0.05 0.00 -1.06 0.00 0.00 42.46 36.75 1b75 s ILE 4 CO -0.06 -0.94 1.32 0.20 -0.10 0.00 0.00 174.94 175.36 1b75 s ASN 5 N 3.14 6.93 0.19 3.58 0.01 -1.26 -1.16 114.94 126.37 1b75 s ASN 5 Ca 0.53 2.01 -0.15 0.00 -0.71 0.00 0.00 52.86 54.54 1b75 s ASN 5 Cb -0.10 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1b75 s ASN 5 CO 0.32 -0.66 0.46 0.00 -1.51 0.00 0.00 177.10 175.71 1b75 s ALA 6 N 2.25 -0.62 0.21 0.60 0.00 -0.74 -4.64 121.76 118.82 1b75 s ALA 6 Ca 0.61 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.06 1b75 s ALA 6 Cb -0.29 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1b75 s ALA 6 CO 0.25 -0.77 0.19 -1.21 0.00 0.00 0.00 175.76 174.22 1b75 s GLU 7 N -3.92 1.25 0.73 0.00 2.02 -1.11 -3.73 118.70 113.96 1b75 s GLU 7 Ca 0.13 -1.55 -0.15 0.00 0.02 0.00 0.00 54.97 53.42 1b75 s GLU 7 Cb 0.00 0.31 0.04 0.00 0.10 0.00 0.00 34.13 34.58 1b75 s GLU 7 CO -0.01 -0.43 1.20 0.14 0.02 0.00 0.00 175.26 176.18 1b75 s VAL 8 N -4.13 2.38 -1.16 2.63 -7.23 -1.26 -1.09 120.40 110.54 1b75 s VAL 8 Ca 0.35 0.18 -0.21 0.00 -1.81 0.00 0.00 61.98 60.49 1b75 s VAL 8 Cb 0.06 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 1b75 s VAL 8 CO 0.11 -0.10 1.80 -0.13 -0.31 0.00 0.00 175.10 176.46 1b75 s ARG 9 N -3.97 3.19 -0.41 4.82 0.52 -1.23 -4.52 118.95 117.35 1b75 s ARG 9 Ca 0.73 -1.34 0.09 0.00 -0.52 0.00 0.00 55.73 54.70 1b75 s ARG 9 Cb -0.28 -5.34 0.37 0.00 0.52 0.00 0.00 34.95 30.22 1b75 s ARG 9 CO 0.46 -3.04 1.21 1.17 0.02 0.00 0.00 175.30 175.12 1b75 n LYS 10 N 8.49 1.12 -1.41 3.54 3.00 -1.26 -4.46 118.16 127.18 1b75 n LYS 10 Ca 0.44 -2.06 -0.30 0.00 -0.00 0.00 0.00 58.31 56.39 1b75 n LYS 10 Cb 0.47 -0.55 0.10 0.00 0.00 0.00 0.00 35.03 35.04 1b75 n LYS 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b75 s GLU 11 N -0.19 2.05 -1.31 1.64 -1.05 -1.26 -4.74 118.70 113.84 1b75 s GLU 11 Ca 0.23 0.84 -0.12 0.00 -0.15 0.00 0.00 54.97 55.78 1b75 s GLU 11 Cb 0.37 -1.90 -0.06 0.00 -0.44 0.00 0.00 34.13 32.10 1b75 s GLU 11 CO -0.07 -1.70 2.45 0.00 0.95 0.00 0.00 175.26 176.90 1b75 n GLN 12 N -3.52 2.83 0.00 -4.83 0.00 -1.26 -3.83 117.38 106.77 1b75 n GLN 12 Ca 0.07 -2.08 0.00 0.00 0.00 0.00 0.00 57.00 54.99 1b75 n GLN 12 Cb 0.55 -2.86 0.00 0.00 0.00 0.00 0.00 30.24 27.93 1b75 n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b75 n GLY 13 N 3.88 0.29 2.62 2.61 0.00 -1.26 -4.99 105.19 108.33 1b75 n GLY 13 Ca 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.51 1b75 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1b75 n LYS 14 N -0.22 0.77 -2.92 1.61 4.81 -1.04 -4.97 118.16 116.20 1b75 n LYS 14 Ca 0.00 -2.07 -0.12 0.00 -0.87 0.00 0.00 58.31 55.25 1b75 n LYS 14 Cb 0.00 -1.41 0.06 0.00 0.02 0.00 0.00 35.03 33.70 1b75 n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1b75 n GLY 15 N 1.59 -0.73 3.49 3.14 0.00 -1.25 -3.68 105.19 107.75 1b75 n GLY 15 Ca 0.12 0.40 -0.22 0.00 0.00 0.00 0.00 46.02 46.32 1b75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b75 n ALA 16 N -2.92 -2.40 -3.83 4.61 0.00 -1.26 -4.74 120.51 109.98 1b75 n ALA 16 Ca -0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.26 1b75 n ALA 16 Cb 0.60 -4.35 -0.01 0.00 0.00 0.00 0.00 19.45 15.69 1b75 n ALA 16 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1b75 s SER 17 N -3.65 -0.21 0.00 0.00 0.15 -1.24 -4.95 113.70 103.81 1b75 s SER 17 Ca 0.36 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1b75 s SER 17 Cb -0.08 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1b75 s SER 17 CO 0.79 -1.25 0.00 -1.14 1.20 0.00 0.00 173.24 172.84 1b75 n ARG 18 N -0.48 0.00 -0.33 5.44 0.63 -1.26 -2.51 116.66 118.15 1b75 n ARG 18 Ca -0.05 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.91 1b75 n ARG 18 Cb 0.60 0.00 0.21 0.00 0.45 0.00 0.00 32.46 33.72 1b75 n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1b75 h ARG 19 N 0.00 1.07 -0.66 -0.14 2.47 -1.94 -2.75 114.38 112.43 1b75 h ARG 19 Ca 0.00 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 58.72 1b75 h ARG 19 Cb 0.00 -0.24 -0.04 0.00 -1.65 0.00 0.00 29.97 28.04 1b75 h ARG 19 CO 0.00 0.71 0.44 -0.07 0.56 0.00 0.00 179.97 181.60 1b75 h LEU 20 N 1.10 0.59 -5.65 3.04 3.38 -1.86 -2.11 115.31 113.80 1b75 h LEU 20 Ca 0.40 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.62 1b75 h LEU 20 Cb 0.15 -0.13 -0.23 0.00 0.09 0.00 0.00 40.66 40.55 1b75 h LEU 20 CO -0.15 0.39 1.26 0.54 0.09 0.00 0.00 178.44 180.57 1b75 n ARG 21 N -4.48 4.33 0.05 1.13 1.74 -1.04 -4.13 116.66 114.27 1b75 n ARG 21 Ca 0.09 -3.90 0.00 0.00 -0.77 0.00 0.00 57.85 53.27 1b75 n ARG 21 Cb 0.23 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.25 1b75 n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1b75 n ALA 22 N 0.30 0.00 -1.22 7.54 0.00 -0.93 -5.00 120.51 121.20 1b75 n ALA 22 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.96 1b75 n ALA 22 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1b75 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b75 n ALA 23 N -2.67 0.00 -3.06 0.00 0.00 -0.84 -5.06 120.51 108.88 1b75 n ALA 23 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1b75 n ALA 23 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1b75 n ALA 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1b75 n ASN 24 N 0.00 -0.69 -4.15 0.00 5.15 -1.26 -4.99 115.26 109.31 1b75 n ASN 24 Ca 0.00 -2.88 -0.10 0.00 -0.60 0.00 0.00 54.58 51.01 1b75 n ASN 24 Cb 0.00 0.07 -0.10 0.00 -0.53 0.00 0.00 39.78 39.22 1b75 n ASN 24 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1b75 s LYS 25 N -0.67 0.88 0.13 1.20 1.02 -1.26 -1.52 119.74 119.52 1b75 s LYS 25 Ca 0.34 -1.40 -0.23 0.00 0.02 0.00 0.00 55.97 54.70 1b75 s LYS 25 Cb 0.19 0.11 0.06 0.00 -0.52 0.00 0.00 37.83 37.67 1b75 s LYS 25 CO -0.15 -0.18 0.57 -0.59 -0.92 0.00 0.00 175.35 174.08 1b75 s PHE 26 N -3.92 -0.50 0.44 3.18 -0.71 -0.69 -4.76 117.98 111.03 1b75 s PHE 26 Ca 0.19 0.35 -0.12 0.00 -1.04 0.00 0.00 56.93 56.32 1b75 s PHE 26 Cb 0.07 0.49 -0.07 0.00 -1.21 0.00 0.00 43.02 42.31 1b75 s PHE 26 CO -0.01 -0.79 0.82 -1.25 -1.34 0.00 0.00 175.22 172.65 1b75 s PRO 27 N -3.43 3.80 0.16 1.99 0.04 -1.26 -2.58 135.00 133.71 1b75 s PRO 27 Ca -0.00 0.56 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 1b75 s PRO 27 Cb -0.01 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1b75 s PRO 27 CO -0.10 -0.11 0.45 0.00 0.04 0.00 0.00 177.00 177.28 1b75 s ALA 28 N -2.46 -0.90 0.04 8.56 0.00 -0.68 -4.45 121.76 121.87 1b75 s ALA 28 Ca 0.53 -0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.39 1b75 s ALA 28 Cb -0.10 0.78 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 1b75 s ALA 28 CO 0.33 -0.71 -0.14 0.42 0.00 0.00 0.00 175.76 175.66 1b75 s ILE 29 N -3.84 1.07 -0.06 0.00 1.01 -0.40 -1.25 121.20 117.73 1b75 s ILE 29 Ca 0.06 -1.03 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1b75 s ILE 29 Cb 0.01 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1b75 s ILE 29 CO -0.08 -0.04 0.10 -0.63 0.00 0.00 0.00 174.94 174.29 1b75 s ILE 30 N -0.92 5.02 0.16 2.92 1.01 0.05 -0.55 121.20 128.90 1b75 s ILE 30 Ca 0.00 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.61 1b75 s ILE 30 Cb -0.08 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 1b75 s ILE 30 CO 0.01 0.47 -0.23 -0.31 0.00 0.00 0.00 174.94 174.89 1b75 s TYR 31 N -1.11 2.13 0.00 3.97 1.51 -0.27 -1.32 117.35 122.26 1b75 s TYR 31 Ca 0.20 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1b75 s TYR 31 Cb -0.12 -1.09 0.00 0.00 -0.11 0.00 0.00 41.96 40.64 1b75 s TYR 31 CO 0.10 0.39 0.00 0.41 -1.11 0.00 0.00 175.55 175.34 1b75 n GLY 32 N 0.50 0.78 5.39 0.71 0.00 -1.26 -1.66 105.19 109.65 1b75 n GLY 32 Ca -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 1.90 0.00 -0.02 0.00 -1.26 -3.77 105.19 102.04 1b75 n GLY 33 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -2.61 1.61 4.81 -1.26 -5.00 118.16 115.71 1b75 n LYS 34 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1b75 n LYS 34 Cb 0.00 -0.07 0.10 0.00 0.02 0.00 0.00 35.03 35.07 1b75 n LYS 34 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1b75 n GLU 35 N -0.52 1.03 -3.62 1.64 2.13 -1.26 -5.13 120.64 114.91 1b75 n GLU 35 Ca 0.00 -1.37 -0.10 0.00 0.66 0.00 0.00 57.16 56.36 1b75 n GLU 35 Cb 0.00 0.10 -0.06 0.00 0.27 0.00 0.00 31.44 31.75 1b75 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1b75 s ALA 36 N 0.14 -1.95 0.56 4.31 0.00 -1.25 -5.07 121.76 118.50 1b75 s ALA 36 Ca 0.14 1.78 -0.14 0.00 0.00 0.00 0.00 51.96 53.75 1b75 s ALA 36 Cb 0.34 -1.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.20 1b75 s ALA 36 CO -0.08 -0.26 1.00 -1.25 0.00 0.00 0.00 175.76 175.17 1b75 s PRO 37 N -0.17 3.80 -0.13 0.00 0.04 -1.26 -4.44 135.00 132.84 1b75 s PRO 37 Ca 0.01 0.86 0.02 0.00 0.04 0.00 0.00 61.00 61.94 1b75 s PRO 37 Cb -0.04 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1b75 s PRO 37 CO -0.04 -0.39 -0.21 -0.51 0.04 0.00 0.00 177.00 175.89 1b75 s LEU 38 N -4.54 2.19 -0.08 -3.56 2.01 -0.43 -4.96 118.68 109.31 1b75 s LEU 38 Ca 0.57 -0.56 -0.24 0.00 0.01 0.00 0.00 54.13 53.91 1b75 s LEU 38 Cb -0.10 -1.46 -0.03 0.00 0.01 0.00 0.00 46.19 44.60 1b75 s LEU 38 CO 0.41 0.10 0.74 0.00 1.01 0.00 0.00 176.35 178.61 1b75 s ALA 39 N 0.70 3.36 0.28 4.21 0.00 -1.26 -0.77 121.76 128.27 1b75 s ALA 39 Ca -0.09 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.03 1b75 s ALA 39 Cb -0.16 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1b75 s ALA 39 CO 0.01 -0.22 0.11 0.96 0.00 0.00 0.00 175.76 176.62 1b75 s ILE 40 N 1.09 0.54 0.05 0.00 -5.25 -0.38 -3.49 121.20 113.75 1b75 s ILE 40 Ca 0.39 -2.00 0.02 0.00 -0.99 0.00 0.00 60.65 58.07 1b75 s ILE 40 Cb -0.18 -2.60 -0.03 0.00 2.95 0.00 0.00 42.46 42.60 1b75 s ILE 40 CO 0.18 0.00 -0.07 -1.83 -1.79 0.00 0.00 174.94 171.43 1b75 s GLU 41 N -3.96 0.59 0.18 0.37 4.04 -0.25 -1.69 118.70 117.98 1b75 s GLU 41 Ca 0.37 -0.90 -0.24 0.00 0.04 0.00 0.00 54.97 54.24 1b75 s GLU 41 Cb 0.07 -0.24 0.05 0.00 0.02 0.00 0.00 34.13 34.03 1b75 s GLU 41 CO 0.15 0.03 0.84 -0.48 -1.84 0.00 0.00 175.26 173.95 1b75 s LEU 42 N -1.94 -0.27 0.54 1.83 0.05 -1.07 -2.74 118.68 115.08 1b75 s LEU 42 Ca -0.05 -0.38 -0.18 0.00 0.05 0.00 0.00 54.13 53.57 1b75 s LEU 42 Cb -0.06 2.38 -0.06 0.00 -2.05 0.00 0.00 46.19 46.40 1b75 s LEU 42 CO -0.01 -1.02 1.05 -1.81 -0.55 0.00 0.00 176.35 174.00 1b75 s ASP 43 N -2.86 6.08 -1.05 1.48 1.01 -1.26 -1.70 116.67 118.38 1b75 s ASP 43 Ca 0.10 1.87 -0.03 0.00 0.71 0.00 0.00 52.55 55.19 1b75 s ASP 43 Cb -0.03 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.56 1b75 s ASP 43 CO 0.01 -0.96 2.22 1.57 0.21 0.00 0.00 175.17 178.22 1b75 n HIS 44 N -1.49 2.55 0.00 4.23 -0.00 -0.58 -4.28 115.22 115.65 1b75 n HIS 44 Ca 0.09 -2.55 0.00 0.00 -0.00 0.00 0.00 57.72 55.26 1b75 n HIS 44 Cb 0.53 -1.48 0.00 0.00 -0.00 0.00 0.00 29.99 29.03 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 0.75 0.00 0.10 0.26 2.03 -1.26 -4.75 116.55 113.68 1b75 n ASP 45 Ca 0.54 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.72 1b75 n ASP 45 Cb 0.29 0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.52 0.00 -0.67 6.56 -1.99 -0.85 116.57 119.11 1b75 h LYS 46 Ca 0.00 0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 1b75 h LYS 46 Cb 0.00 0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 1b75 h LYS 46 CO 0.00 -0.35 -0.20 -0.24 -2.06 0.00 0.00 179.45 176.61 1b75 h VAL 47 N -0.54 0.99 -0.44 0.50 3.04 -1.93 -2.54 116.25 115.33 1b75 h VAL 47 Ca 0.04 -0.71 -0.05 0.00 -1.01 0.00 0.00 66.70 64.97 1b75 h VAL 47 Cb 0.58 1.40 -0.02 0.00 -2.01 0.00 0.00 31.29 31.25 1b75 h VAL 47 CO -0.22 0.19 0.07 -0.03 -1.01 0.00 0.00 177.57 176.58 1b75 h MET 48 N 0.00 0.73 -0.60 4.17 -1.53 -1.56 0.19 114.93 116.33 1b75 h MET 48 Ca -0.00 -0.19 -0.01 0.00 -3.44 0.00 0.00 59.70 56.05 1b75 h MET 48 Cb 0.38 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.32 1b75 h MET 48 CO 0.03 0.76 0.34 -0.91 0.14 0.00 0.00 176.91 177.26 1b75 h ASN 49 N 0.59 0.74 -0.32 1.39 2.35 -0.93 -3.19 115.58 116.21 1b75 h ASN 49 Ca 0.13 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1b75 h ASN 49 Cb 0.38 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1b75 h ASN 49 CO 0.01 0.61 0.00 0.24 -1.65 0.00 0.00 177.43 176.64 1b75 h MET 50 N 0.82 0.56 0.10 0.81 2.86 -1.08 -3.28 114.93 115.72 1b75 h MET 50 Ca 0.21 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1b75 h MET 50 Cb 0.03 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1b75 h MET 50 CO -0.04 0.69 -0.05 -0.56 1.06 0.00 0.00 176.91 178.02 1b75 h GLN 51 N 0.36 -0.13 0.00 1.72 -0.00 -0.99 -3.39 115.11 112.68 1b75 h GLN 51 Ca 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.75 1b75 h GLN 51 Cb 0.44 0.03 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 1b75 h GLN 51 CO 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 178.83 178.77 1b75 n ALA 52 N -2.16 0.00 -1.95 0.06 0.00 -1.21 -3.86 120.51 111.39 1b75 n ALA 52 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1b75 n ALA 52 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.01 0.00 3.00 -1.26 -4.62 118.16 115.28 1b75 n LYS 53 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.36 1b75 n LYS 53 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1b75 n LYS 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1b75 n ALA 54 N -3.00 2.34 -0.34 3.14 0.00 -1.26 -4.69 120.51 116.70 1b75 n ALA 54 Ca 0.00 -0.24 0.23 0.00 0.00 0.00 0.00 53.44 53.43 1b75 n ALA 54 Cb 0.00 -0.32 0.47 0.00 0.00 0.00 0.00 19.45 19.60 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 0.34 -0.11 0.00 4.81 -1.92 -3.19 114.58 114.51 1b75 h GLU 55 Ca -0.01 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1b75 h GLU 55 Cb 0.48 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1b75 h GLU 55 CO 0.00 0.23 -0.07 0.35 -0.73 0.00 0.00 179.01 178.79 1b75 h PHE 56 N 0.35 -0.23 0.00 0.92 3.57 -1.75 -1.23 116.94 118.57 1b75 h PHE 56 Ca 0.72 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.24 1b75 h PHE 56 Cb 1.63 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1b75 h PHE 56 CO -0.01 -0.05 0.00 2.48 -2.23 0.00 0.00 178.31 178.51 1b75 n TYR 57 N -3.25 0.00 0.25 0.41 0.18 -1.21 -3.71 117.16 109.83 1b75 n TYR 57 Ca 0.00 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.65 1b75 n TYR 57 Cb 0.03 -0.40 -0.07 0.00 -0.38 0.00 0.00 39.34 38.52 1b75 n TYR 57 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 1b75 h SER 58 N 0.00 -0.57 -0.61 9.48 0.02 -1.23 -3.35 113.55 117.29 1b75 h SER 58 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1b75 h SER 58 Cb 0.39 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1b75 h SER 58 CO 0.00 -0.18 0.00 -1.84 -1.14 0.00 0.00 176.83 173.67 1b75 n GLU 59 N -5.25 3.61 -0.55 3.45 0.28 -1.13 -5.06 120.64 115.99 1b75 n GLU 59 Ca -0.10 -2.69 0.07 0.00 -0.16 0.00 0.00 57.16 54.28 1b75 n GLU 59 Cb 0.31 -1.88 -0.03 0.00 1.43 0.00 0.00 31.44 31.27 1b75 n GLU 59 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1b75 n VAL 60 N 1.04 -0.23 -3.85 3.84 3.14 -1.24 -4.11 118.33 116.92 1b75 n VAL 60 Ca 0.24 0.30 -0.08 0.00 -2.96 0.00 0.00 64.34 61.84 1b75 n VAL 60 Cb 0.86 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 1b75 n VAL 60 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1b75 s LEU 61 N -5.47 -0.03 -0.03 6.55 2.34 -0.89 -4.15 118.68 117.00 1b75 s LEU 61 Ca 0.00 -0.96 -0.00 0.00 0.06 0.00 0.00 54.13 53.22 1b75 s LEU 61 Cb 0.00 2.70 0.03 0.00 -0.56 0.00 0.00 46.19 48.36 1b75 s LEU 61 CO 0.00 -1.53 0.03 -0.89 -1.06 0.00 0.00 176.35 172.90 1b75 s THR 62 N -2.99 -0.01 -0.25 5.48 2.01 -0.33 -1.08 115.64 118.47 1b75 s THR 62 Ca 0.15 0.22 -0.21 0.00 0.31 0.00 0.00 61.69 62.16 1b75 s THR 62 Cb -0.05 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.31 1b75 s THR 62 CO 0.10 0.12 0.65 -0.63 -0.69 0.00 0.00 174.62 174.17 1b75 s ILE 63 N 1.24 4.97 -0.47 1.82 -1.09 -0.26 -0.90 121.20 126.50 1b75 s ILE 63 Ca -0.07 1.18 -0.26 0.00 -2.23 0.00 0.00 60.65 59.27 1b75 s ILE 63 Cb -0.13 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.83 1b75 s ILE 63 CO -0.03 0.02 0.98 -0.69 -1.23 0.00 0.00 174.94 173.99 1b75 s VAL 64 N 2.54 4.39 -0.66 2.92 1.01 -0.31 -0.80 120.40 129.48 1b75 s VAL 64 Ca 0.27 0.85 -0.00 0.00 0.00 0.00 0.00 61.98 63.10 1b75 s VAL 64 Cb -0.15 -4.49 0.17 0.00 0.00 0.00 0.00 36.38 31.90 1b75 s VAL 64 CO 0.08 -0.90 0.47 0.54 0.00 0.00 0.00 175.10 175.29 1b75 s VAL 65 N 3.96 3.50 -0.67 2.92 0.11 -0.83 -1.80 120.40 127.60 1b75 s VAL 65 Ca 0.40 -3.38 -0.08 0.00 -2.93 0.00 0.00 61.98 55.99 1b75 s VAL 65 Cb -0.09 -3.28 0.01 0.00 -1.53 0.00 0.00 36.38 31.49 1b75 s VAL 65 CO 0.28 -0.92 0.65 -0.67 -3.33 0.00 0.00 175.10 171.11 1b75 n ASP 66 N 2.99 -6.85 0.00 3.54 2.03 -1.24 -3.41 116.55 113.62 1b75 n ASP 66 Ca 0.11 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.24 1b75 n ASP 66 Cb 0.36 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 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 -1.26 1.76 3.62 0.27 0.00 -1.26 -4.95 105.19 103.36 1b75 n GLY 67 Ca -0.07 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1b75 n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b75 n LYS 68 N 0.00 2.29 -2.58 1.61 5.02 -1.22 -4.90 118.16 118.38 1b75 n LYS 68 Ca 0.00 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.61 1b75 n LYS 68 Cb 0.00 -3.07 -0.01 0.00 -0.02 0.00 0.00 35.03 31.93 1b75 n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1b75 s GLU 69 N 5.46 3.80 -0.62 1.97 2.02 -1.26 -1.96 118.70 128.11 1b75 s GLU 69 Ca 0.96 -1.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.11 1b75 s GLU 69 Cb -0.43 -5.44 0.04 0.00 0.10 0.00 0.00 34.13 28.40 1b75 s GLU 69 CO 0.40 -2.23 1.09 0.42 0.02 0.00 0.00 175.26 174.97 1b75 s ILE 70 N 4.55 4.12 0.05 -1.63 -1.09 0.02 -4.90 121.20 122.30 1b75 s ILE 70 Ca 0.50 0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 59.00 1b75 s ILE 70 Cb 0.02 -4.70 -0.06 0.00 -1.58 0.00 0.00 42.46 36.13 1b75 s ILE 70 CO -0.01 -1.40 1.36 -0.54 -1.23 0.00 0.00 174.94 173.12 1b75 s LYS 71 N 4.66 4.32 0.22 2.79 1.02 -1.26 -1.11 119.74 130.38 1b75 s LYS 71 Ca 0.34 1.97 -0.00 0.00 0.02 0.00 0.00 55.97 58.29 1b75 s LYS 71 Cb -0.11 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 1b75 s LYS 71 CO 0.19 -0.48 0.16 0.14 -0.92 0.00 0.00 175.35 174.44 1b75 s VAL 72 N 1.76 0.00 0.00 3.17 -7.23 -0.24 -1.46 120.40 116.40 1b75 s VAL 72 Ca 0.63 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1b75 s VAL 72 Cb -0.33 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.12 1b75 s VAL 72 CO 0.28 0.00 0.00 0.29 -0.31 0.00 0.00 175.10 175.36 1b75 n LYS 73 N -0.32 0.00 -3.64 4.82 5.02 -0.15 -2.10 118.16 121.80 1b75 n LYS 73 Ca 0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 1b75 n LYS 73 Cb 0.65 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.59 1b75 n LYS 73 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1b75 s ALA 74 N -2.00 -1.91 -0.17 7.82 0.00 -1.26 -4.39 121.76 119.84 1b75 s ALA 74 Ca 0.00 2.04 -0.14 0.00 0.00 0.00 0.00 51.96 53.87 1b75 s ALA 74 Cb 0.00 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1b75 s ALA 74 CO 0.00 -0.31 -0.07 0.94 0.00 0.00 0.00 175.76 176.33 1b75 n GLN 75 N 2.83 0.49 -3.30 0.00 0.00 0.05 -4.73 117.38 112.73 1b75 n GLN 75 Ca -0.15 0.53 -0.26 0.00 -0.00 0.00 0.00 57.00 57.12 1b75 n GLN 75 Cb 0.56 -1.70 -0.09 0.00 0.00 0.00 0.00 30.24 29.02 1b75 n GLN 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1b75 n ASP 76 N -4.54 -0.19 -4.55 1.69 8.00 -1.24 -5.03 116.55 110.69 1b75 n ASP 76 Ca -0.17 -2.52 -0.38 0.00 0.71 0.00 0.00 54.79 52.44 1b75 n ASP 76 Cb 0.42 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1b75 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b75 s VAL 77 N -0.52 3.38 -1.40 2.53 0.11 -1.26 -3.18 120.40 120.05 1b75 s VAL 77 Ca 0.34 0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.43 1b75 s VAL 77 Cb 0.10 -4.00 0.08 0.00 -1.53 0.00 0.00 36.38 31.03 1b75 s VAL 77 CO -0.16 -0.96 2.17 1.67 -3.33 0.00 0.00 175.10 174.49 1b75 n GLN 78 N 9.17 3.28 -4.25 1.54 -0.06 -0.21 -4.91 117.38 121.94 1b75 n GLN 78 Ca 0.21 -2.94 -0.32 0.00 -2.00 0.00 0.00 57.00 51.96 1b75 n GLN 78 Cb 0.51 -3.09 -0.09 0.00 -4.06 0.00 0.00 30.24 23.52 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 1.90 2.74 -0.26 3.69 1.04 -1.26 -2.18 118.95 124.61 1b75 s ARG 79 Ca 0.46 -0.66 -0.06 0.00 -1.04 0.00 0.00 55.73 54.43 1b75 s ARG 79 Cb 0.13 -2.64 -0.01 0.00 -2.04 0.00 0.00 34.95 30.39 1b75 s ARG 79 CO -0.05 0.60 0.04 -1.58 -0.04 0.00 0.00 175.30 174.26 1b75 s HIS 80 N -1.14 3.07 0.94 5.89 2.46 -0.52 -5.03 115.29 120.96 1b75 s HIS 80 Ca 0.21 -0.85 -0.15 0.00 0.47 0.00 0.00 55.06 54.74 1b75 s HIS 80 Cb -0.12 -2.20 0.17 0.00 -0.13 0.00 0.00 32.58 30.31 1b75 s HIS 80 CO 0.12 -0.52 1.27 -1.25 -2.47 0.00 0.00 174.74 171.89 1b75 s PRO 81 N 1.52 0.88 0.00 2.88 0.04 -1.26 -3.88 135.00 135.17 1b75 s PRO 81 Ca 0.04 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1b75 s PRO 81 Cb -0.16 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1b75 s PRO 81 CO 0.01 -2.28 0.00 0.66 0.04 0.00 0.00 177.00 175.42 1b75 n TYR 82 N -3.72 0.00 -2.98 0.56 4.01 -1.26 -4.78 117.16 108.98 1b75 n TYR 82 Ca 0.13 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.48 1b75 n TYR 82 Cb 0.60 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.57 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 4.51 -0.95 -0.72 -2.85 -1.26 -5.00 119.74 113.47 1b75 s LYS 83 Ca 0.00 1.12 -0.24 0.00 -1.00 0.00 0.00 55.97 55.85 1b75 s LYS 83 Cb 0.00 -3.14 0.02 0.00 -2.06 0.00 0.00 37.83 32.65 1b75 s LYS 83 CO 0.00 0.51 1.56 -1.25 0.10 0.00 0.00 175.35 176.27 1b75 s PRO 84 N -1.40 3.28 -0.09 1.78 0.04 -1.26 -4.76 135.00 132.59 1b75 s PRO 84 Ca 0.38 -0.78 -0.06 0.00 0.04 0.00 0.00 61.00 60.58 1b75 s PRO 84 Cb -0.21 -5.14 0.03 0.00 0.04 0.00 0.00 34.50 29.22 1b75 s PRO 84 CO 0.25 -2.48 0.23 0.21 0.04 0.00 0.00 177.00 175.25 1b75 s LYS 85 N 5.58 0.23 0.16 4.56 2.47 -1.25 -5.09 119.74 126.40 1b75 s LYS 85 Ca 0.51 0.41 0.07 0.00 -1.56 0.00 0.00 55.97 55.41 1b75 s LYS 85 Cb -0.03 0.00 -0.04 0.00 -1.46 0.00 0.00 37.83 36.30 1b75 s LYS 85 CO -0.04 -0.10 -0.16 -0.51 0.16 0.00 0.00 175.35 174.70 1b75 s LEU 86 N 0.68 2.47 0.03 5.43 1.43 -1.26 -1.43 118.68 126.02 1b75 s LEU 86 Ca -0.05 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 1b75 s LEU 86 Cb -0.06 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1b75 s LEU 86 CO -0.04 -0.12 0.00 0.00 0.23 0.00 0.00 176.35 176.42 1b75 n GLN 87 N 0.15 0.00 -3.48 1.70 1.13 -0.93 -5.01 117.38 110.94 1b75 n GLN 87 Ca -0.12 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.83 1b75 n GLN 87 Cb 0.58 -0.35 -0.02 0.00 0.11 0.00 0.00 30.24 30.56 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 -2.00 -0.46 -0.01 1.08 2.46 -1.22 -4.74 115.29 110.40 1b75 s HIS 88 Ca 0.00 0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.78 1b75 s HIS 88 Cb 0.00 0.57 0.01 0.00 -0.13 0.00 0.00 32.58 33.03 1b75 s HIS 88 CO 0.00 -0.80 0.01 0.42 -2.47 0.00 0.00 174.74 171.89 1b75 s ILE 89 N -3.60 0.03 -0.84 0.89 1.01 -1.26 -1.05 121.20 116.38 1b75 s ILE 89 Ca 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1b75 s ILE 89 Cb -0.01 -0.08 0.21 0.00 0.01 0.00 0.00 42.46 42.58 1b75 s ILE 89 CO -0.10 0.05 0.70 -1.81 0.00 0.00 0.00 174.94 173.78 1b75 s ASP 90 N 0.43 5.78 -0.96 3.58 1.11 -1.19 -1.28 116.67 124.14 1b75 s ASP 90 Ca -0.04 -3.60 -0.24 0.00 0.18 0.00 0.00 52.55 48.86 1b75 s ASP 90 Cb -0.06 -1.88 -0.01 0.00 1.07 0.00 0.00 42.92 42.05 1b75 s ASP 90 CO -0.01 -0.20 1.75 -0.36 1.18 0.00 0.00 175.17 177.53 1b75 s PHE 91 N -1.15 2.11 0.37 4.23 0.08 0.29 -0.77 117.98 123.14 1b75 s PHE 91 Ca 0.26 0.02 -0.27 0.00 0.12 0.00 0.00 56.93 57.05 1b75 s PHE 91 Cb -0.09 -4.31 -0.09 0.00 -0.57 0.00 0.00 43.02 37.96 1b75 s PHE 91 CO -0.11 -1.80 1.24 0.54 -0.10 0.00 0.00 175.22 174.98 1b75 s VAL 92 N 8.04 2.90 0.32 -0.44 0.11 -1.26 -1.12 120.40 128.95 1b75 s VAL 92 Ca 0.60 0.83 -0.27 0.00 -2.93 0.00 0.00 61.98 60.21 1b75 s VAL 92 Cb -0.04 -3.50 -0.14 0.00 -1.53 0.00 0.00 36.38 31.18 1b75 s VAL 92 CO -0.04 0.14 0.95 0.54 -3.33 0.00 0.00 175.10 173.36 1b75 n ARG 93 N 0.40 1.24 0.00 1.54 5.12 -0.67 -0.97 116.66 123.32 1b75 n ARG 93 Ca 0.02 0.44 0.12 0.00 -1.93 0.00 0.00 57.85 56.50 1b75 n ARG 93 Cb 0.44 -1.81 0.70 0.00 -1.16 0.00 0.00 32.46 30.63 1b75 n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70