#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t s ILE 4 N 0.00 5.26 -0.18 -0.18 1.09 -1.22 -4.47 121.20 121.50 2x9t s ILE 4 Ca 0.00 0.70 -0.01 0.00 -1.10 0.00 0.00 60.65 60.24 2x9t s ILE 4 Cb 0.00 -3.70 -0.00 0.00 -1.06 0.00 0.00 42.46 37.70 2x9t s ILE 4 CO 0.00 0.37 -0.12 -0.60 -0.10 0.00 0.00 174.94 174.48 2x9t s ARG 5 N 0.49 3.24 -0.06 2.79 3.52 -0.39 -2.45 118.95 126.10 2x9t s ARG 5 Ca 0.20 -0.72 0.03 0.00 -0.13 0.00 0.00 55.73 55.11 2x9t s ARG 5 Cb -0.14 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2x9t s ARG 5 CO 0.06 -0.07 -0.13 0.96 -0.81 0.00 0.00 175.30 175.31 2x9t s ILE 6 N 1.06 1.14 0.19 4.11 -5.25 -1.16 -0.97 121.20 120.32 2x9t s ILE 6 Ca -0.00 -0.50 -0.06 0.00 -0.99 0.00 0.00 60.65 59.10 2x9t s ILE 6 Cb -0.15 -1.03 -0.06 0.00 2.95 0.00 0.00 42.46 44.17 2x9t s ILE 6 CO -0.03 0.35 0.44 -0.54 -1.79 0.00 0.00 174.94 173.37 2x9t s LYS 7 N 0.53 3.67 -0.49 0.37 -0.14 0.22 -2.89 119.74 121.01 2x9t s LYS 7 Ca -0.12 0.01 0.03 0.00 -1.36 0.00 0.00 55.97 54.53 2x9t s LYS 7 Cb -0.14 -2.77 0.16 0.00 -1.68 0.00 0.00 37.83 33.39 2x9t s LYS 7 CO 0.03 0.39 0.34 -0.51 -0.76 0.00 0.00 175.35 174.85 2x9t s LEU 8 N -2.83 2.58 0.32 3.17 1.43 0.46 -2.82 118.68 120.98 2x9t s LEU 8 Ca 0.43 -3.09 0.01 0.00 -1.03 0.00 0.00 54.13 50.46 2x9t s LEU 8 Cb -0.12 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.18 2x9t s LEU 8 CO 0.24 -0.18 0.50 -0.13 0.23 0.00 0.00 176.35 177.01 2x9t s ARG 9 N -0.18 3.48 0.00 1.70 0.52 -0.89 -1.98 118.95 121.60 2x9t s ARG 9 Ca 0.26 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2x9t s ARG 9 Cb -0.08 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.67 2x9t s ARG 9 CO -0.12 0.22 0.00 0.41 0.02 0.00 0.00 175.30 175.83 2x9t n GLY 10 N -1.66 0.97 0.11 -3.53 0.00 -1.12 -1.77 105.19 98.19 2x9t n GLY 10 Ca -0.06 -1.07 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 2x9t n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2x9t n PHE 11 N -0.72 1.00 -2.85 1.61 0.99 -1.26 -2.20 117.46 114.02 2x9t n PHE 11 Ca 0.00 0.38 -0.42 0.00 -0.00 0.00 0.00 57.45 57.41 2x9t n PHE 11 Cb 0.00 -1.11 -0.04 0.00 -1.00 0.00 0.00 39.48 37.33 2x9t n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2x9t s ASP 12 N -6.93 6.81 0.03 4.37 3.68 -1.26 -4.59 116.67 118.78 2x9t s ASP 12 Ca -0.28 0.95 -0.16 0.00 2.13 0.00 0.00 52.55 55.18 2x9t s ASP 12 Cb 0.07 -2.45 -0.33 0.00 -1.45 0.00 0.00 42.92 38.76 2x9t s ASP 12 CO 0.62 -0.61 1.02 1.12 0.13 0.00 0.00 175.17 177.45 2x9t h HIS 13 N 7.86 0.94 0.00 -5.34 2.07 -1.96 -1.47 115.15 117.25 2x9t h HIS 13 Ca -0.23 -0.65 0.00 0.00 -2.85 0.00 0.00 60.37 56.64 2x9t h HIS 13 Cb 1.09 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.01 2x9t h HIS 13 CO 0.77 1.50 0.08 1.63 -3.07 0.00 0.00 177.93 178.84 2x9t n LYS 14 N -3.81 0.00 -0.04 5.12 5.02 -1.26 0.49 118.16 123.69 2x9t n LYS 14 Ca -0.15 0.37 -0.08 0.00 -2.02 0.00 0.00 58.31 56.43 2x9t n LYS 14 Cb 1.02 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 34.43 2x9t n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2x9t n THR 15 N -1.36 0.40 0.13 -0.18 -2.24 -1.23 -4.27 114.28 105.54 2x9t n THR 15 Ca 0.00 -0.11 0.09 0.00 -2.27 0.00 0.00 64.05 61.76 2x9t n THR 15 Cb 0.08 -1.53 0.47 0.00 -2.10 0.00 0.00 70.33 67.25 2x9t n THR 15 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2x9t n LEU 16 N -3.28 0.45 -0.09 3.22 -0.00 -0.56 -1.15 117.00 115.59 2x9t n LEU 16 Ca -0.14 0.70 -0.20 0.00 -0.00 0.00 0.00 56.01 56.37 2x9t n LEU 16 Cb 0.61 -0.75 -0.12 0.00 -0.00 0.00 0.00 43.42 43.15 2x9t n LEU 16 CO 0.01 -0.85 -0.26 -0.78 -0.00 0.00 0.00 177.39 175.51 2x9t h ASP 17 N 0.00 0.01 0.28 1.96 3.58 -0.20 -3.29 116.42 118.76 2x9t h ASP 17 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2x9t h ASP 17 Cb 0.04 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2x9t h ASP 17 CO 0.00 1.36 0.00 0.00 -2.88 0.00 0.00 179.24 177.72 2x9t h ALA 18 N -0.34 1.00 -0.00 -0.78 0.00 -1.42 0.35 119.26 118.07 2x9t h ALA 18 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2x9t h ALA 18 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2x9t h ALA 18 CO -0.14 0.00 -0.15 0.43 0.00 0.00 0.00 179.25 179.39 2x9t n SER 19 N -2.68 0.39 -0.10 0.00 7.64 -0.30 -2.65 113.62 115.93 2x9t n SER 19 Ca -0.01 -0.33 -0.15 0.00 1.01 0.00 0.00 58.87 59.39 2x9t n SER 19 Cb 0.12 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.17 2x9t n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x9t n ALA 20 N -1.13 0.90 0.30 -0.43 0.00 0.12 -4.03 120.51 116.24 2x9t n ALA 20 Ca 0.12 -0.82 0.16 0.00 0.00 0.00 0.00 53.44 52.90 2x9t n ALA 20 Cb 0.30 0.02 0.93 0.00 0.00 0.00 0.00 19.45 20.70 2x9t n ALA 20 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2x9t h GLN 21 N -1.00 0.00 0.39 0.00 4.15 -1.59 -0.29 115.11 116.78 2x9t h GLN 21 Ca -0.21 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 2x9t h GLN 21 Cb 1.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2x9t h GLN 21 CO -0.13 0.02 -0.19 -0.22 -1.93 0.00 0.00 178.83 176.38 2x9t h LYS 22 N 0.00 -0.51 0.00 1.69 3.11 -1.71 -1.65 116.57 117.51 2x9t h LYS 22 Ca -0.00 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.87 2x9t h LYS 22 Cb 0.05 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2x9t h LYS 22 CO 0.00 -0.23 0.00 0.82 -2.81 0.00 0.00 179.45 177.23 2x9t h ILE 23 N -0.74 0.00 0.13 2.00 2.04 -1.52 0.42 117.51 119.85 2x9t h ILE 23 Ca -0.05 -0.37 -0.29 0.00 1.00 0.00 0.00 64.86 65.15 2x9t h ILE 23 Cb 0.51 1.21 0.03 0.00 -0.74 0.00 0.00 36.82 37.84 2x9t h ILE 23 CO 0.09 0.00 -1.22 0.58 0.00 0.00 0.00 178.15 177.60 2x9t h VAL 24 N 0.00 1.30 0.00 1.67 2.07 -0.88 -3.34 116.25 117.07 2x9t h VAL 24 Ca 0.00 -2.47 -0.27 0.00 0.82 0.00 0.00 66.70 64.78 2x9t h VAL 24 Cb 0.47 2.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.95 2x9t h VAL 24 CO 0.00 0.75 -1.58 -0.33 0.02 0.00 0.00 177.57 176.42 2x9t h GLU 25 N 0.21 0.00 -1.14 1.57 5.08 -1.08 -3.15 114.58 116.07 2x9t h GLU 25 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 2x9t h GLU 25 Cb 1.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.15 2x9t h GLU 25 CO 0.23 0.53 0.00 0.00 -1.00 0.00 0.00 179.01 178.77 2x9t n ALA 26 N -2.51 2.24 0.00 3.43 0.00 0.15 -2.81 120.51 121.01 2x9t n ALA 26 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2x9t n ALA 26 Cb 1.02 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2x9t n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x9t n ALA 27 N 0.52 0.07 0.09 0.00 0.00 -1.26 -4.50 120.51 115.43 2x9t n ALA 27 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2x9t n ALA 27 Cb 0.34 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.84 2x9t n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x9t n ARG 28 N -0.19 0.03 -0.02 0.00 1.74 -1.12 0.15 116.66 117.25 2x9t n ARG 28 Ca 0.00 0.22 0.01 0.00 -0.77 0.00 0.00 57.85 57.31 2x9t n ARG 28 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2x9t n ARG 28 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2x9t n ARG 29 N -1.24 1.39 -0.02 5.56 1.85 -1.26 -4.66 116.66 118.28 2x9t n ARG 29 Ca 0.01 -0.04 -0.17 0.00 -1.00 0.00 0.00 57.85 56.65 2x9t n ARG 29 Cb 0.01 -1.20 -0.14 0.00 -1.05 0.00 0.00 32.46 30.09 2x9t n ARG 29 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2x9t n SER 30 N -2.01 1.65 -4.41 2.89 7.64 0.83 -5.00 113.62 115.21 2x9t n SER 30 Ca -0.06 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 2x9t n SER 30 Cb 0.46 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.11 2x9t n SER 30 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2x9t n GLY 31 N 1.90 3.50 0.00 0.23 0.00 0.40 -4.43 105.19 106.79 2x9t n GLY 31 Ca -0.30 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.42 2x9t n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2x9t n ALA 32 N -1.35 0.00 -1.66 4.61 0.00 -1.26 -4.52 120.51 116.33 2x9t n ALA 32 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2x9t n ALA 32 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.11 2x9t n ALA 32 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2x9t s GLN 33 N 0.00 2.84 -0.10 0.00 -0.21 -1.26 -4.65 119.66 116.28 2x9t s GLN 33 Ca 0.00 1.75 -0.00 0.00 0.02 0.00 0.00 55.36 57.13 2x9t s GLN 33 Cb 0.00 -1.92 0.02 0.00 1.00 0.00 0.00 33.01 32.11 2x9t s GLN 33 CO 0.00 -1.29 -0.07 0.08 -2.12 0.00 0.00 175.29 171.89 2x9t s VAL 34 N -1.76 0.92 -0.17 1.09 1.01 -1.26 -2.79 120.40 117.44 2x9t s VAL 34 Ca 0.75 -0.24 -0.36 0.00 0.00 0.00 0.00 61.98 62.13 2x9t s VAL 34 Cb -0.29 -0.94 -0.13 0.00 0.00 0.00 0.00 36.38 35.02 2x9t s VAL 34 CO 0.35 0.34 1.85 -1.54 0.00 0.00 0.00 175.10 176.10 2x9t n SER 35 N 4.79 3.06 -4.00 3.32 3.41 -0.00 -4.89 113.62 119.31 2x9t n SER 35 Ca -0.14 0.99 -0.37 0.00 -0.26 0.00 0.00 58.87 59.10 2x9t n SER 35 Cb 0.50 -1.29 0.04 0.00 -0.26 0.00 0.00 64.21 63.20 2x9t n SER 35 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2x9t n GLY 36 N 4.40 -4.23 3.56 5.00 0.00 -1.26 -3.91 105.19 108.75 2x9t n GLY 36 Ca 0.24 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 2x9t n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2x9t s PRO 37 N -2.01 2.43 -0.30 1.61 0.02 -1.26 -4.74 135.00 130.75 2x9t s PRO 37 Ca 0.39 1.36 -0.19 0.00 0.02 0.00 0.00 61.00 62.58 2x9t s PRO 37 Cb -0.10 -4.49 -0.01 0.00 0.02 0.00 0.00 34.50 29.91 2x9t s PRO 37 CO 0.78 -2.91 0.59 0.96 -0.33 0.00 0.00 177.00 176.10 2x9t s ILE 38 N 10.70 4.97 -0.42 2.83 -4.36 0.93 -4.91 121.20 130.95 2x9t s ILE 38 Ca 0.91 0.78 -0.25 0.00 -0.26 0.00 0.00 60.65 61.84 2x9t s ILE 38 Cb -0.19 -3.96 0.02 0.00 1.25 0.00 0.00 42.46 39.58 2x9t s ILE 38 CO 0.27 -0.11 0.88 -2.16 0.24 0.00 0.00 174.94 174.06 2x9t s PRO 39 N 2.52 3.64 0.59 0.37 0.04 -1.26 0.10 135.00 141.01 2x9t s PRO 39 Ca 0.23 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.38 2x9t s PRO 39 Cb -0.15 -3.87 -0.04 0.00 0.04 0.00 0.00 34.50 30.48 2x9t s PRO 39 CO 0.12 -1.06 1.06 -0.51 0.04 0.00 0.00 177.00 176.65 2x9t s LEU 40 N 3.49 3.51 0.10 -3.56 1.43 0.65 -4.93 118.68 119.37 2x9t s LEU 40 Ca 0.35 1.84 -0.33 0.00 -1.03 0.00 0.00 54.13 54.97 2x9t s LEU 40 Cb -0.11 -4.54 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 2x9t s LEU 40 CO 0.22 -1.19 1.77 -0.81 0.23 0.00 0.00 176.35 176.57 2x9t n PRO 41 N -2.01 2.51 -1.02 1.29 -0.04 -1.26 -3.80 135.00 130.67 2x9t n PRO 41 Ca 0.09 0.91 -0.33 0.00 -0.04 0.00 0.00 63.50 64.13 2x9t n PRO 41 Cb 0.53 -2.76 0.14 0.00 -0.04 0.00 0.00 33.50 31.36 2x9t n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2x9t s THR 42 N 2.35 2.07 -0.18 0.52 2.01 -1.26 -4.49 115.64 116.65 2x9t s THR 42 Ca 0.82 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.82 2x9t s THR 42 Cb -0.57 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2x9t s THR 42 CO 0.40 -0.02 -0.05 -0.13 -0.69 0.00 0.00 174.62 174.13 2x9t s ARG 43 N -4.27 3.53 0.03 4.92 1.81 0.20 -4.90 118.95 120.26 2x9t s ARG 43 Ca 0.71 -0.58 -0.01 0.00 -1.72 0.00 0.00 55.73 54.14 2x9t s ARG 43 Cb -0.27 -2.93 -0.04 0.00 -0.45 0.00 0.00 34.95 31.26 2x9t s ARG 43 CO 0.52 0.06 0.18 0.08 -0.68 0.00 0.00 175.30 175.46 2x9t s VAL 44 N 0.83 5.30 -0.44 3.52 1.01 -1.26 0.71 120.40 130.07 2x9t s VAL 44 Ca -0.01 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2x9t s VAL 44 Cb -0.15 -3.53 0.23 0.00 0.00 0.00 0.00 36.38 32.94 2x9t s VAL 44 CO 0.02 0.23 0.64 -1.14 0.00 0.00 0.00 175.10 174.85 2x9t n ARG 45 N 0.64 0.66 -1.80 2.72 0.63 -1.06 -4.94 116.66 113.51 2x9t n ARG 45 Ca -0.08 -2.62 -0.40 0.00 -0.92 0.00 0.00 57.85 53.83 2x9t n ARG 45 Cb 0.52 -1.37 0.02 0.00 0.45 0.00 0.00 32.46 32.08 2x9t n ARG 45 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2x9t s ARG 46 N -0.24 3.62 -0.26 -0.14 3.00 -1.26 -1.70 118.95 121.98 2x9t s ARG 46 Ca 0.33 2.40 0.00 0.00 0.00 0.00 0.00 55.73 58.46 2x9t s ARG 46 Cb 0.16 -2.61 0.07 0.00 0.00 0.00 0.00 34.95 32.57 2x9t s ARG 46 CO -0.16 -0.86 0.01 -0.06 0.00 0.00 0.00 175.30 174.23 2x9t s PHE 47 N -1.21 2.13 -0.06 -0.53 0.40 0.13 -4.91 117.98 113.92 2x9t s PHE 47 Ca 0.62 -1.73 -0.11 0.00 -0.60 0.00 0.00 56.93 55.11 2x9t s PHE 47 Cb -0.43 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.39 2x9t s PHE 47 CO 0.55 -0.79 0.28 0.99 0.70 0.00 0.00 175.22 176.96 2x9t s THR 48 N 1.48 5.26 0.17 0.64 2.01 -1.26 -1.67 115.64 122.27 2x9t s THR 48 Ca 0.01 0.55 -0.16 0.00 0.31 0.00 0.00 61.69 62.40 2x9t s THR 48 Cb -0.18 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2x9t s THR 48 CO -0.11 0.58 0.45 0.54 -0.69 0.00 0.00 174.62 175.39 2x9t s VAL 49 N -0.95 0.04 -0.20 3.82 0.11 -1.01 -5.01 120.40 117.21 2x9t s VAL 49 Ca 0.19 -0.84 -0.15 0.00 -2.93 0.00 0.00 61.98 58.25 2x9t s VAL 49 Cb -0.14 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.13 2x9t s VAL 49 CO 0.09 -0.19 0.38 0.27 -3.33 0.00 0.00 175.10 172.31 2x9t s ILE 50 N -3.87 5.22 0.24 7.04 -0.00 -1.26 -1.46 121.20 127.09 2x9t s ILE 50 Ca 0.09 0.67 -0.10 0.00 -0.00 0.00 0.00 60.65 61.31 2x9t s ILE 50 Cb 0.00 -3.71 0.30 0.00 -0.00 0.00 0.00 42.46 39.05 2x9t s ILE 50 CO -0.04 0.27 1.61 0.03 -0.00 0.00 0.00 174.94 176.81 2x9t h ARG 51 N 7.31 0.02 -6.89 0.37 3.08 -1.82 -3.41 114.38 113.05 2x9t h ARG 51 Ca -0.37 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.17 2x9t h ARG 51 Cb 1.16 -0.01 0.05 0.00 0.08 0.00 0.00 29.97 31.26 2x9t h ARG 51 CO 0.72 0.02 0.57 0.20 -1.07 0.00 0.00 179.97 180.40 2x9t s GLY 52 N -3.72 2.98 0.08 0.04 0.00 -1.26 -4.94 107.32 100.49 2x9t s GLY 52 Ca -0.14 1.11 0.27 0.00 0.00 0.00 0.00 44.72 45.96 2x9t s GLY 52 CO 0.75 1.71 1.78 -1.55 0.00 0.00 0.00 173.10 175.79 2x9t n PRO 53 N 0.65 0.11 0.00 2.90 -0.04 -1.26 -4.66 135.00 132.70 2x9t n PRO 53 Ca 0.01 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2x9t n PRO 53 Cb 0.44 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 2x9t n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2x9t n PHE 54 N -1.81 0.00 -3.24 0.54 7.35 -1.26 -5.09 117.46 113.96 2x9t n PHE 54 Ca 0.06 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.72 2x9t n PHE 54 Cb 0.38 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.17 2x9t n PHE 54 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2x9t s LYS 55 N -0.68 0.50 -0.33 -4.13 1.02 -1.26 -4.96 119.74 109.90 2x9t s LYS 55 Ca 0.00 0.26 0.14 0.00 0.02 0.00 0.00 55.97 56.39 2x9t s LYS 55 Cb 0.00 -0.07 0.42 0.00 -0.52 0.00 0.00 37.83 37.66 2x9t s LYS 55 CO 0.00 -1.05 1.49 0.72 -0.92 0.00 0.00 175.35 175.59 2x9t n HIS 56 N 5.31 -1.63 0.00 3.18 8.25 -1.26 -5.02 115.22 124.05 2x9t n HIS 56 Ca 0.03 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.72 2x9t n HIS 56 Cb 0.51 1.33 0.00 0.00 1.12 0.00 0.00 29.99 32.95 2x9t n HIS 56 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2x9t n LYS 57 N -1.43 0.00 0.00 -0.41 3.00 -1.26 -4.36 118.16 113.70 2x9t n LYS 57 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 2x9t n LYS 57 Cb 0.87 -0.52 0.00 0.00 0.00 0.00 0.00 35.03 35.37 2x9t n LYS 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2x9t n ASP 58 N -0.24 0.70 -1.99 3.14 8.00 -1.26 -4.82 116.55 120.08 2x9t n ASP 58 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2x9t n ASP 58 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2x9t n ASP 58 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2x9t n SER 59 N 0.00 0.00 -1.22 -2.24 2.88 -1.26 -4.73 113.62 107.04 2x9t n SER 59 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2x9t n SER 59 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2x9t n SER 59 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2x9t n ARG 60 N -0.48 3.30 -3.68 -1.46 1.85 -1.26 -4.54 116.66 110.39 2x9t n ARG 60 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.72 2x9t n ARG 60 Cb 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.32 2x9t n ARG 60 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2x9t s GLU 61 N 2.24 0.63 0.00 2.89 2.12 -0.54 -4.63 118.70 121.42 2x9t s GLU 61 Ca 0.00 0.82 -0.02 0.00 0.36 0.00 0.00 54.97 56.12 2x9t s GLU 61 Cb 0.00 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.65 2x9t s GLU 61 CO 0.00 -0.09 0.04 -3.38 -0.54 0.00 0.00 175.26 171.28 2x9t s HIS 62 N 0.52 0.11 0.00 5.30 -3.43 -1.26 -2.39 115.29 114.14 2x9t s HIS 62 Ca -0.02 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.01 2x9t s HIS 62 Cb -0.04 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 2x9t s HIS 62 CO -0.02 -0.17 0.00 1.19 -2.00 0.00 0.00 174.74 173.74 2x9t n PHE 63 N 1.99 -0.04 -3.59 0.38 3.72 -0.67 -4.94 117.46 114.31 2x9t n PHE 63 Ca -0.20 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.05 2x9t n PHE 63 Cb 0.56 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.05 2x9t n PHE 63 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2x9t s GLU 64 N -0.76 1.00 -0.40 -1.08 -1.05 -1.26 0.21 118.70 115.35 2x9t s GLU 64 Ca 0.00 -0.15 -0.04 0.00 -0.15 0.00 0.00 54.97 54.63 2x9t s GLU 64 Cb 0.00 0.46 0.10 0.00 -0.44 0.00 0.00 34.13 34.25 2x9t s GLU 64 CO 0.00 -0.34 0.19 -1.17 0.95 0.00 0.00 175.26 174.89 2x9t s LEU 65 N -1.78 5.10 0.19 1.83 2.96 -0.69 -4.91 118.68 121.39 2x9t s LEU 65 Ca -0.07 -1.88 -0.28 0.00 -0.22 0.00 0.00 54.13 51.67 2x9t s LEU 65 Cb -0.01 -1.84 -0.08 0.00 0.50 0.00 0.00 46.19 44.76 2x9t s LEU 65 CO 0.01 -0.51 0.88 -0.13 -1.32 0.00 0.00 176.35 175.28 2x9t s ARG 66 N 1.19 4.73 -0.47 1.98 0.52 -1.26 -2.58 118.95 123.07 2x9t s ARG 66 Ca 0.06 1.36 0.03 0.00 -0.52 0.00 0.00 55.73 56.66 2x9t s ARG 66 Cb -0.23 -3.29 0.14 0.00 0.52 0.00 0.00 34.95 32.10 2x9t s ARG 66 CO -0.03 0.48 0.28 0.99 0.02 0.00 0.00 175.30 177.04 2x9t s THR 67 N -0.96 1.43 0.26 0.02 2.01 0.22 -4.52 115.64 114.10 2x9t s THR 67 Ca 0.40 -2.75 -0.30 0.00 0.31 0.00 0.00 61.69 59.35 2x9t s THR 67 Cb -0.24 -1.99 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 2x9t s THR 67 CO 0.29 -0.95 1.03 -1.00 -0.69 0.00 0.00 174.62 173.31 2x9t s HIS 68 N 0.12 3.76 -0.15 4.92 0.09 -0.94 0.58 115.29 123.66 2x9t s HIS 68 Ca 0.20 1.79 0.01 0.00 -0.00 0.00 0.00 55.06 57.06 2x9t s HIS 68 Cb -0.19 -3.15 0.02 0.00 -0.00 0.00 0.00 32.58 29.26 2x9t s HIS 68 CO -0.04 -0.12 -0.16 -0.80 -0.00 0.00 0.00 174.74 173.62 2x9t s ASN 69 N -0.97 2.81 0.01 1.40 0.01 -1.25 -2.81 114.94 114.14 2x9t s ASN 69 Ca 0.43 -0.53 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 2x9t s ASN 69 Cb -0.29 -1.27 -0.02 0.00 0.41 0.00 0.00 41.25 40.07 2x9t s ASN 69 CO 0.37 -0.03 -0.25 -0.13 -1.51 0.00 0.00 177.10 175.55 2x9t s ARG 70 N 1.35 2.00 0.02 -0.60 0.52 -0.84 0.24 118.95 121.65 2x9t s ARG 70 Ca 0.03 -0.99 0.05 0.00 -0.52 0.00 0.00 55.73 54.29 2x9t s ARG 70 Cb -0.13 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 2x9t s ARG 70 CO -0.10 0.54 -0.14 -1.17 0.02 0.00 0.00 175.30 174.46 2x9t s LEU 71 N -0.89 2.13 -0.11 2.53 2.96 0.29 -0.40 118.68 125.17 2x9t s LEU 71 Ca 0.11 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2x9t s LEU 71 Cb -0.10 -0.61 0.04 0.00 0.50 0.00 0.00 46.19 46.01 2x9t s LEU 71 CO 0.00 0.07 0.27 -0.69 -1.32 0.00 0.00 176.35 174.69 2x9t s VAL 72 N -0.68 -0.02 0.07 1.68 1.01 -1.14 -0.05 120.40 121.27 2x9t s VAL 72 Ca 0.02 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.13 2x9t s VAL 72 Cb -0.07 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2x9t s VAL 72 CO 0.01 0.03 -0.13 -1.81 0.00 0.00 0.00 175.10 173.20 2x9t s ASP 73 N 0.76 1.55 0.06 3.32 1.01 -1.25 -2.99 116.67 119.13 2x9t s ASP 73 Ca -0.05 -0.62 0.05 0.00 0.71 0.00 0.00 52.55 52.64 2x9t s ASP 73 Cb -0.06 -0.03 -0.04 0.00 1.01 0.00 0.00 42.92 43.79 2x9t s ASP 73 CO -0.05 -0.10 -0.04 0.27 0.21 0.00 0.00 175.17 175.45 2x9t s ILE 74 N -1.35 3.77 -0.12 0.77 -4.36 -1.02 -0.82 121.20 118.06 2x9t s ILE 74 Ca -0.03 -0.95 -0.07 0.00 -0.26 0.00 0.00 60.65 59.34 2x9t s ILE 74 Cb -0.10 -2.73 -0.02 0.00 1.25 0.00 0.00 42.46 40.86 2x9t s ILE 74 CO 0.02 0.22 -0.14 0.16 0.24 0.00 0.00 174.94 175.44 2x9t h ILE 75 N 3.28 0.00 -3.23 8.37 3.07 -1.85 1.33 117.51 128.49 2x9t h ILE 75 Ca -0.48 -0.91 -0.70 0.00 1.55 0.00 0.00 64.86 64.32 2x9t h ILE 75 Cb 1.17 0.00 -0.19 0.00 -0.27 0.00 0.00 36.82 37.53 2x9t h ILE 75 CO 0.56 0.00 -0.01 0.20 -1.05 0.00 0.00 178.15 177.85 2x9t s ASN 76 N -5.52 6.21 -0.32 2.16 -0.87 -1.26 -2.01 114.94 113.33 2x9t s ASN 76 Ca -0.12 -1.03 -0.12 0.00 -1.57 0.00 0.00 52.86 50.02 2x9t s ASN 76 Cb 0.02 -2.27 -0.13 0.00 -0.02 0.00 0.00 41.25 38.85 2x9t s ASN 76 CO 0.18 -0.87 1.53 -0.81 -2.57 0.00 0.00 177.10 174.55 2x9t n PRO 77 N 6.02 0.69 -2.08 -0.60 -0.04 -1.26 -4.00 135.00 133.74 2x9t n PRO 77 Ca -0.08 -1.04 -0.42 0.00 -0.04 0.00 0.00 63.50 61.93 2x9t n PRO 77 Cb 0.45 -2.36 -0.03 0.00 -0.04 0.00 0.00 33.50 31.52 2x9t n PRO 77 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2x9t s ASN 78 N 5.12 6.74 0.07 3.54 3.84 -1.26 -4.89 114.94 128.10 2x9t s ASN 78 Ca 0.34 2.51 0.17 0.00 0.21 0.00 0.00 52.86 56.09 2x9t s ASN 78 Cb 0.08 -2.60 0.74 0.00 -0.55 0.00 0.00 41.25 38.91 2x9t s ASN 78 CO 0.09 -0.68 1.55 0.54 -2.79 0.00 0.00 177.10 175.81 2x9t n ARG 79 N 3.19 0.06 0.00 0.43 5.12 -1.26 -0.89 116.66 123.30 2x9t n ARG 79 Ca 0.09 0.29 0.14 0.00 -1.93 0.00 0.00 57.85 56.45 2x9t n ARG 79 Cb 0.41 -1.61 0.66 0.00 -1.16 0.00 0.00 32.46 30.76 2x9t n ARG 79 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2x9t n LYS 80 N -1.71 0.86 -0.11 5.56 4.81 -1.26 -2.13 118.16 124.17 2x9t n LYS 80 Ca 0.03 -0.28 -0.15 0.00 -0.87 0.00 0.00 58.31 57.04 2x9t n LYS 80 Cb 0.19 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.63 2x9t n LYS 80 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2x9t n THR 81 N -0.82 1.32 1.57 3.15 -1.04 -0.07 -3.93 114.28 114.45 2x9t n THR 81 Ca 0.17 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2x9t n THR 81 Cb 0.26 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2x9t n THR 81 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2x9t n ILE 82 N -3.07 0.00 -0.02 12.58 2.08 -0.85 -2.84 119.36 127.23 2x9t n ILE 82 Ca -0.39 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 62.91 2x9t n ILE 82 Cb 0.97 -0.13 -0.01 0.00 -0.75 0.00 0.00 39.64 39.73 2x9t n ILE 82 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2x9t n GLU 83 N -0.42 0.12 0.00 0.38 2.13 -0.91 -4.29 120.64 117.66 2x9t n GLU 83 Ca 0.00 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.96 2x9t n GLU 83 Cb 0.03 -0.81 0.00 0.00 0.27 0.00 0.00 31.44 30.93 2x9t n GLU 83 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2x9t n GLN 84 N -2.92 0.00 -0.32 5.31 6.02 -1.19 -3.96 117.38 120.31 2x9t n GLN 84 Ca -0.03 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.13 2x9t n GLN 84 Cb 0.10 -0.73 0.34 0.00 1.02 0.00 0.00 30.24 30.97 2x9t n GLN 84 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2x9t h LEU 85 N 0.00 -0.17 -1.51 1.08 3.38 -1.75 1.75 115.31 118.09 2x9t h LEU 85 Ca 0.00 0.25 0.20 0.00 0.09 0.00 0.00 57.88 58.42 2x9t h LEU 85 Cb 0.00 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2x9t h LEU 85 CO 0.00 -0.29 0.83 -0.03 0.09 0.00 0.00 178.44 179.03 2x9t h MET 86 N 0.08 0.00 0.00 1.13 4.05 -1.70 -3.05 114.93 115.44 2x9t h MET 86 Ca 0.62 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.04 2x9t h MET 86 Cb 1.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 2x9t h MET 86 CO -0.80 0.00 0.00 0.25 0.23 0.00 0.00 176.91 176.59 2x9t n THR 87 N -3.44 0.00 0.73 -0.77 -2.24 0.46 -4.84 114.28 104.18 2x9t n THR 87 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2x9t n THR 87 Cb 1.07 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.44 2x9t n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2x9t n LEU 88 N 0.00 2.71 -4.64 3.22 7.94 0.57 -4.86 117.00 121.94 2x9t n LEU 88 Ca 0.00 -1.33 -0.42 0.00 -1.11 0.00 0.00 56.01 53.14 2x9t n LEU 88 Cb 0.22 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.67 2x9t n LEU 88 CO 0.00 0.46 1.68 -1.81 -1.11 0.00 0.00 177.39 176.61 2x9t s ASP 89 N 1.09 6.12 -0.37 1.96 1.01 -1.26 -4.88 116.67 120.34 2x9t s ASP 89 Ca 0.00 2.40 0.10 0.00 0.71 0.00 0.00 52.55 55.76 2x9t s ASP 89 Cb 0.00 -2.52 0.45 0.00 1.01 0.00 0.00 42.92 41.85 2x9t s ASP 89 CO 0.00 -1.36 1.09 -0.11 0.21 0.00 0.00 175.17 175.00 2x9t n LEU 90 N 8.93 3.64 -4.72 1.23 7.94 -1.26 -5.07 117.00 127.69 2x9t n LEU 90 Ca 0.23 -4.55 -0.36 0.00 -1.11 0.00 0.00 56.01 50.23 2x9t n LEU 90 Cb 0.42 -0.13 -0.08 0.00 0.53 0.00 0.00 43.42 44.17 2x9t n LEU 90 CO 0.67 1.93 -0.12 -2.16 -1.11 0.00 0.00 177.39 176.60 2x9t s PRO 91 N -3.47 4.20 -0.14 1.96 0.04 -1.26 -4.97 135.00 131.35 2x9t s PRO 91 Ca 0.41 -0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 2x9t s PRO 91 Cb 0.41 -3.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.43 2x9t s PRO 91 CO -0.08 0.24 -0.15 -2.37 0.04 0.00 0.00 177.00 174.68 2x9t n THR 92 N 3.66 0.79 -2.23 1.26 5.66 -1.26 -4.77 114.28 117.39 2x9t n THR 92 Ca -0.14 -0.26 -0.01 0.00 -3.05 0.00 0.00 64.05 60.59 2x9t n THR 92 Cb 0.52 -1.32 0.08 0.00 -1.55 0.00 0.00 70.33 68.06 2x9t n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2x9t n GLY 93 N 2.49 3.27 2.89 1.09 0.00 -1.26 -5.04 105.19 108.63 2x9t n GLY 93 Ca -0.26 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 2x9t n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x9t s VAL 94 N -2.48 0.42 0.25 1.61 1.01 -1.26 -4.32 120.40 115.63 2x9t s VAL 94 Ca 0.37 -0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2x9t s VAL 94 Cb 0.37 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 2x9t s VAL 94 CO -0.08 0.18 0.27 -0.70 0.00 0.00 0.00 175.10 174.77 2x9t s GLU 95 N 0.69 3.17 -0.01 2.72 2.56 -0.73 -4.85 118.70 122.24 2x9t s GLU 95 Ca -0.08 -0.92 -0.10 0.00 0.00 0.00 0.00 54.97 53.87 2x9t s GLU 95 Cb -0.12 -2.72 0.01 0.00 2.00 0.00 0.00 34.13 33.31 2x9t s GLU 95 CO -0.00 0.41 0.22 0.96 -0.56 0.00 0.00 175.26 176.29 2x9t s ILE 96 N -2.06 0.07 0.17 -3.70 -0.00 -1.26 -2.10 121.20 112.31 2x9t s ILE 96 Ca 0.33 -0.56 0.10 0.00 -0.00 0.00 0.00 60.65 60.53 2x9t s ILE 96 Cb -0.08 -0.50 -0.04 0.00 -0.00 0.00 0.00 42.46 41.83 2x9t s ILE 96 CO 0.27 -0.31 -0.23 -1.61 -0.00 0.00 0.00 174.94 173.06 2x9t s GLU 97 N -1.28 1.40 -0.10 0.37 0.41 -1.13 -4.94 118.70 113.43 2x9t s GLU 97 Ca -0.13 -1.43 -0.04 0.00 -0.41 0.00 0.00 54.97 52.96 2x9t s GLU 97 Cb -0.06 -1.69 0.05 0.00 -1.78 0.00 0.00 34.13 30.64 2x9t s GLU 97 CO 0.03 0.37 0.22 0.42 -0.49 0.00 0.00 175.26 175.81 2x9t s ILE 98 N -1.58 -0.19 0.31 -1.63 1.09 -1.26 -0.61 121.20 117.33 2x9t s ILE 98 Ca 0.17 0.23 0.04 0.00 -1.10 0.00 0.00 60.65 59.99 2x9t s ILE 98 Cb -0.08 -0.36 -0.03 0.00 -1.06 0.00 0.00 42.46 40.92 2x9t s ILE 98 CO 0.08 0.10 0.19 -0.54 -0.10 0.00 0.00 174.94 174.66 2x9t s LYS 99 N 1.78 1.62 -0.41 2.79 -0.14 -0.15 -4.98 119.74 120.25 2x9t s LYS 99 Ca -0.04 -1.93 0.01 0.00 -1.36 0.00 0.00 55.97 52.64 2x9t s LYS 99 Cb -0.11 0.03 0.24 0.00 -1.68 0.00 0.00 37.83 36.31 2x9t s LYS 99 CO -0.08 -0.51 1.03 2.41 -0.76 0.00 0.00 175.35 177.45 2x9t n THR 100 N -0.59 0.00 0.00 2.17 -1.04 -1.26 -1.26 114.28 112.30 2x9t n THR 100 Ca 0.02 -0.87 0.00 0.00 -2.04 0.00 0.00 64.05 61.17 2x9t n THR 100 Cb 0.64 1.10 0.00 0.00 -1.82 0.00 0.00 70.33 70.25 2x9t n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95