#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5h s GLN 2 N 0.00 2.87 -0.44 2.12 -2.07 -1.26 -4.80 119.66 116.09 1q5h s GLN 2 Ca 0.00 -1.21 -0.22 0.00 -1.82 0.00 0.00 55.36 52.11 1q5h s GLN 2 Cb 0.00 -2.69 0.02 0.00 -1.09 0.00 0.00 33.01 29.25 1q5h s GLN 2 CO 0.00 -0.10 0.73 -1.17 -1.32 0.00 0.00 175.29 173.42 1q5h s LEU 3 N -4.22 4.34 -0.08 2.60 2.96 -1.26 -3.84 118.68 119.18 1q5h s LEU 3 Ca 0.49 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 54.16 1q5h s LEU 3 Cb -0.08 -2.87 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1q5h s LEU 3 CO 0.31 -0.84 0.20 -0.13 -1.32 0.00 0.00 176.35 174.57 1q5h s ARG 4 N 3.08 3.53 0.08 1.98 0.52 -1.02 -4.97 118.95 122.15 1q5h s ARG 4 Ca 0.27 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1q5h s ARG 4 Cb -0.13 -3.18 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 1q5h s ARG 4 CO 0.21 0.74 -0.06 -0.59 0.02 0.00 0.00 175.30 175.62 1q5h s PHE 5 N -1.09 0.78 0.01 -0.53 -0.12 -1.26 -0.43 117.98 115.34 1q5h s PHE 5 Ca 0.19 -0.92 0.01 0.00 -0.05 0.00 0.00 56.93 56.16 1q5h s PHE 5 Cb -0.13 -0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 1q5h s PHE 5 CO 0.08 -0.20 -0.03 0.00 -0.05 0.00 0.00 175.22 175.02 1q5h s ALA 6 N -3.51 0.22 0.10 1.99 0.00 -0.64 -5.00 121.76 114.92 1q5h s ALA 6 Ca 0.09 -0.38 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 1q5h s ALA 6 Cb 0.05 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.14 1q5h s ALA 6 CO -0.06 -0.04 0.76 1.03 0.00 0.00 0.00 175.76 177.46 1q5h s ARG 7 N -0.81 4.51 0.00 0.00 0.52 -1.26 -1.53 118.95 120.38 1q5h s ARG 7 Ca -0.07 1.09 0.22 0.00 -0.52 0.00 0.00 55.73 56.45 1q5h s ARG 7 Cb -0.06 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 32.04 1q5h s ARG 7 CO -0.00 0.42 1.04 1.28 0.02 0.00 0.00 175.30 178.05 1q5h n LEU 8 N 2.26 1.52 -3.84 2.53 4.77 0.10 -4.94 117.00 119.40 1q5h n LEU 8 Ca -0.04 -0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 55.26 1q5h n LEU 8 Cb 0.50 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1q5h n LEU 8 CO 0.46 0.31 0.52 -0.94 -1.33 0.00 0.00 177.39 176.41 1q5h s SER 9 N -2.71 -0.20 0.00 -1.43 1.04 -1.25 -5.02 113.70 104.12 1q5h s SER 9 Ca 0.14 -0.67 0.16 0.00 0.48 0.00 0.00 55.95 56.06 1q5h s SER 9 Cb 0.17 0.71 0.77 0.00 0.10 0.00 0.00 66.02 67.78 1q5h s SER 9 CO 0.70 -1.34 1.48 -1.84 0.98 0.00 0.00 173.24 173.22 1q5h n GLU 10 N -0.48 0.16 0.05 4.02 0.00 -1.26 -3.21 120.64 119.92 1q5h n GLU 10 Ca -0.05 0.16 0.13 0.00 0.00 0.00 0.00 57.16 57.40 1q5h n GLU 10 Cb 0.59 -1.50 0.33 0.00 0.00 0.00 0.00 31.44 30.86 1q5h n GLU 10 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1q5h n HIS 11 N -1.35 0.45 -2.18 -1.84 8.25 -1.26 -4.90 115.22 112.38 1q5h n HIS 11 Ca 0.06 0.13 -0.34 0.00 -0.26 0.00 0.00 57.72 57.31 1q5h n HIS 11 Cb 0.15 -0.63 0.01 0.00 1.12 0.00 0.00 29.99 30.64 1q5h n HIS 11 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1q5h s ALA 12 N -3.09 2.68 -0.08 -1.41 0.00 -1.20 -4.55 121.76 114.12 1q5h s ALA 12 Ca 0.10 0.70 0.04 0.00 0.00 0.00 0.00 51.96 52.79 1q5h s ALA 12 Cb 0.15 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1q5h s ALA 12 CO 0.65 -0.80 -0.21 0.99 0.00 0.00 0.00 175.76 176.39 1q5h s THR 13 N -1.98 2.40 0.20 0.00 2.01 -1.26 -5.07 115.64 111.94 1q5h s THR 13 Ca 0.70 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 61.45 1q5h s THR 13 Cb -0.21 -1.92 -0.11 0.00 0.01 0.00 0.00 72.50 70.26 1q5h s THR 13 CO 0.30 0.56 1.67 0.00 -0.69 0.00 0.00 174.62 176.46 1q5h s ALA 14 N -0.07 3.88 0.54 7.40 0.00 -1.26 -4.71 121.76 127.55 1q5h s ALA 14 Ca -0.05 1.52 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 1q5h s ALA 14 Cb -0.14 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.25 1q5h s ALA 14 CO 0.04 -0.88 1.12 -2.30 0.00 0.00 0.00 175.76 173.74 1q5h n PRO 15 N 3.92 1.28 -4.30 0.00 -0.02 -1.26 -4.99 135.00 129.63 1q5h n PRO 15 Ca 0.15 0.48 -0.17 0.00 -2.02 0.00 0.00 63.50 61.93 1q5h n PRO 15 Cb 0.36 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.45 1q5h n PRO 15 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1q5h s THR 16 N -1.38 1.51 -0.07 3.45 -4.23 -1.20 -4.90 115.64 108.81 1q5h s THR 16 Ca 0.72 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1q5h s THR 16 Cb -0.45 -1.90 0.02 0.00 1.34 0.00 0.00 72.50 71.51 1q5h s THR 16 CO 0.50 -0.61 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.29 1q5h s ARG 17 N -3.51 1.39 0.32 3.99 3.52 -1.26 -0.11 118.95 123.29 1q5h s ARG 17 Ca 0.19 -0.27 0.07 0.00 -0.13 0.00 0.00 55.73 55.59 1q5h s ARG 17 Cb -0.00 -1.30 0.55 0.00 -1.56 0.00 0.00 34.95 32.64 1q5h s ARG 17 CO 0.04 -0.10 1.77 0.78 -0.81 0.00 0.00 175.30 176.98 1q5h h GLY 18 N 7.44 0.28 -3.21 8.12 0.00 -1.96 -3.46 103.07 110.27 1q5h h GLY 18 Ca -0.31 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1q5h h GLY 18 CO 0.44 0.21 -0.59 -0.45 0.00 0.00 0.00 176.54 176.16 1q5h s SER 19 N -6.87 0.38 0.56 0.19 0.15 -1.26 -5.03 113.70 101.82 1q5h s SER 19 Ca -0.05 -0.90 0.36 0.00 0.70 0.00 0.00 55.95 56.07 1q5h s SER 19 Cb 0.14 0.24 1.68 0.00 -1.71 0.00 0.00 66.02 66.37 1q5h s SER 19 CO 0.76 -0.64 2.08 0.00 1.20 0.00 0.00 173.24 176.64 1q5h h ALA 20 N 3.03 1.00 -0.21 5.45 0.00 -2.03 -2.89 119.26 123.61 1q5h h ALA 20 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1q5h h ALA 20 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1q5h h ALA 20 CO 0.63 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.42 1q5h n ARG 21 N -2.99 2.64 -2.38 0.00 1.74 -1.26 -5.00 116.66 109.40 1q5h n ARG 21 Ca -0.01 -2.42 -0.41 0.00 -0.77 0.00 0.00 57.85 54.24 1q5h n ARG 21 Cb 0.22 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1q5h n ARG 21 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q5h s ALA 22 N -2.12 3.43 0.33 7.54 0.00 -1.09 -4.95 121.76 124.90 1q5h s ALA 22 Ca 0.30 0.95 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1q5h s ALA 22 Cb 0.23 -3.41 0.57 0.00 0.00 0.00 0.00 23.12 20.51 1q5h s ALA 22 CO 0.09 -0.36 1.85 0.00 0.00 0.00 0.00 175.76 177.34 1q5h h ALA 23 N 5.13 1.33 -2.98 0.00 0.00 -1.94 -3.46 119.26 117.33 1q5h h ALA 23 Ca -0.45 -0.22 -0.47 0.00 0.00 0.00 0.00 54.91 53.78 1q5h h ALA 23 Cb 1.21 -0.15 -0.18 0.00 0.00 0.00 0.00 17.79 18.67 1q5h h ALA 23 CO 0.74 0.46 -0.77 0.20 0.00 0.00 0.00 179.25 179.87 1q5h s GLY 24 N -3.86 1.20 -0.10 0.00 0.00 -1.26 -4.41 107.32 98.89 1q5h s GLY 24 Ca -0.08 -1.35 -0.17 0.00 0.00 0.00 0.00 44.72 43.12 1q5h s GLY 24 CO 0.77 -1.40 0.46 -0.19 0.00 0.00 0.00 173.10 172.73 1q5h s TYR 25 N -2.00 3.54 0.26 1.90 1.51 -0.30 -4.74 117.35 117.53 1q5h s TYR 25 Ca 0.11 0.89 -0.30 0.00 -1.01 0.00 0.00 57.07 56.76 1q5h s TYR 25 Cb -0.06 -2.50 -0.10 0.00 -0.11 0.00 0.00 41.96 39.19 1q5h s TYR 25 CO 0.04 0.24 1.35 -0.51 -1.11 0.00 0.00 175.55 175.56 1q5h s ASP 26 N 0.36 6.78 -0.05 2.29 1.01 0.84 -0.17 116.67 127.74 1q5h s ASP 26 Ca 0.25 2.59 0.01 0.00 0.71 0.00 0.00 52.55 56.10 1q5h s ASP 26 Cb -0.15 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 1q5h s ASP 26 CO 0.10 -0.58 -0.03 -0.76 0.21 0.00 0.00 175.17 174.11 1q5h s LEU 27 N -0.83 3.36 0.07 1.23 1.43 -0.47 -3.24 118.68 120.24 1q5h s LEU 27 Ca 0.54 0.01 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1q5h s LEU 27 Cb -0.39 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1q5h s LEU 27 CO 0.45 0.34 -0.21 -0.31 0.23 0.00 0.00 176.35 176.85 1q5h s TYR 28 N -0.92 2.47 0.30 0.29 2.02 -1.26 -1.74 117.35 118.51 1q5h s TYR 28 Ca 0.15 -0.30 -0.28 0.00 -0.37 0.00 0.00 57.07 56.26 1q5h s TYR 28 Cb -0.11 -1.39 -0.09 0.00 -0.40 0.00 0.00 41.96 39.96 1q5h s TYR 28 CO 0.04 0.27 1.06 0.45 -1.57 0.00 0.00 175.55 175.81 1q5h s SER 29 N -1.65 7.24 0.01 2.29 0.15 -0.45 -4.51 113.70 116.77 1q5h s SER 29 Ca 0.15 2.16 0.22 0.00 0.70 0.00 0.00 55.95 59.18 1q5h s SER 29 Cb -0.10 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1q5h s SER 29 CO 0.06 -0.16 0.99 0.00 1.20 0.00 0.00 173.24 175.33 1q5h n ALA 30 N 0.98 4.08 -2.36 5.45 0.00 -0.81 -0.50 120.51 127.34 1q5h n ALA 30 Ca -0.00 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.74 1q5h n ALA 30 Cb 0.46 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1q5h n ALA 30 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1q5h s TYR 31 N -3.08 1.65 -0.18 0.00 1.51 -1.26 -4.72 117.35 111.25 1q5h s TYR 31 Ca 0.06 -1.35 -0.08 0.00 -1.01 0.00 0.00 57.07 54.70 1q5h s TYR 31 Cb 0.16 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 41.05 1q5h s TYR 31 CO 0.83 -0.48 0.07 -0.51 -1.11 0.00 0.00 175.55 174.35 1q5h s ASP 32 N -3.41 5.67 -0.01 2.29 -0.00 -1.26 -2.75 116.67 117.20 1q5h s ASP 32 Ca 0.34 0.09 0.01 0.00 -0.00 0.00 0.00 52.55 52.99 1q5h s ASP 32 Cb 0.05 -1.97 0.01 0.00 -0.00 0.00 0.00 42.92 41.00 1q5h s ASP 32 CO 0.17 0.17 -0.02 -0.31 -0.00 0.00 0.00 175.17 175.19 1q5h s TYR 33 N 0.39 0.25 -0.24 4.23 2.02 0.13 -5.01 117.35 119.12 1q5h s TYR 33 Ca 0.03 -0.03 -0.07 0.00 -0.37 0.00 0.00 57.07 56.64 1q5h s TYR 33 Cb -0.12 -0.21 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1q5h s TYR 33 CO 0.00 -0.04 0.05 0.99 -1.57 0.00 0.00 175.55 174.98 1q5h s THR 34 N 0.23 4.13 -0.36 -0.71 2.01 -1.26 -0.46 115.64 119.21 1q5h s THR 34 Ca -0.02 -0.24 -0.09 0.00 0.31 0.00 0.00 61.69 61.65 1q5h s THR 34 Cb -0.04 -2.93 0.03 0.00 0.01 0.00 0.00 72.50 69.57 1q5h s THR 34 CO -0.01 0.35 0.16 -0.63 -0.69 0.00 0.00 174.62 173.80 1q5h s ILE 35 N 1.59 4.19 0.95 1.82 1.01 -0.27 -4.97 121.20 125.52 1q5h s ILE 35 Ca 0.06 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 1q5h s ILE 35 Cb -0.15 -3.35 0.16 0.00 0.01 0.00 0.00 42.46 39.14 1q5h s ILE 35 CO 0.02 -0.20 1.10 -2.84 0.00 0.00 0.00 174.94 173.02 1q5h s PRO 36 N 1.48 0.75 0.27 2.79 0.02 -1.26 -1.06 135.00 138.00 1q5h s PRO 36 Ca 0.00 1.17 -0.30 0.00 0.02 0.00 0.00 61.00 61.90 1q5h s PRO 36 Cb -0.19 -1.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.47 1q5h s PRO 36 CO 0.05 -2.69 1.32 -2.30 -0.33 0.00 0.00 177.00 173.04 1q5h n PRO 37 N -4.24 1.95 -3.46 5.54 -0.02 -1.26 -2.66 135.00 130.85 1q5h n PRO 37 Ca 0.08 0.69 -0.23 0.00 -2.02 0.00 0.00 63.50 62.02 1q5h n PRO 37 Cb 0.53 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.80 1q5h n PRO 37 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1q5h n MET 38 N 1.41 -7.23 -4.37 -0.52 1.56 0.90 -5.00 117.12 103.87 1q5h n MET 38 Ca 0.09 0.83 -0.19 0.00 -0.27 0.00 0.00 57.70 58.17 1q5h n MET 38 Cb 0.33 -5.81 -0.10 0.00 2.15 0.00 0.00 33.22 29.78 1q5h n MET 38 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1q5h s GLU 39 N -6.17 1.48 0.20 2.12 0.41 -1.09 -4.98 118.70 110.67 1q5h s GLU 39 Ca 0.52 -1.79 0.09 0.00 -0.41 0.00 0.00 54.97 53.38 1q5h s GLU 39 Cb -0.23 -0.59 -0.04 0.00 -1.78 0.00 0.00 34.13 31.49 1q5h s GLU 39 CO 0.64 -0.20 -0.17 -1.59 -0.49 0.00 0.00 175.26 173.45 1q5h s LYS 40 N -3.93 1.38 0.01 1.61 -2.85 -1.26 -1.06 119.74 113.64 1q5h s LYS 40 Ca 0.35 -1.54 -0.08 0.00 -1.00 0.00 0.00 55.97 53.70 1q5h s LYS 40 Cb 0.08 -1.36 0.00 0.00 -2.06 0.00 0.00 37.83 34.49 1q5h s LYS 40 CO 0.13 0.26 0.14 0.00 0.10 0.00 0.00 175.35 175.98 1q5h s ALA 41 N -2.44 -0.31 -0.32 0.59 0.00 -0.73 -4.99 121.76 113.57 1q5h s ALA 41 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 51.96 51.85 1q5h s ALA 41 Cb -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1q5h s ALA 41 CO 0.08 -0.25 0.19 0.08 0.00 0.00 0.00 175.76 175.86 1q5h s VAL 42 N -1.73 4.94 -0.31 0.00 1.01 -1.26 -1.39 120.40 121.67 1q5h s VAL 42 Ca -0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.48 1q5h s VAL 42 Cb -0.06 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1q5h s VAL 42 CO 0.00 0.07 0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1q5h s VAL 43 N 1.67 5.30 0.13 2.92 1.01 0.40 -4.90 120.40 126.93 1q5h s VAL 43 Ca 0.06 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1q5h s VAL 43 Cb -0.17 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 1q5h s VAL 43 CO 0.08 0.14 0.99 -0.54 0.00 0.00 0.00 175.10 175.78 1q5h s LYS 44 N 1.75 4.68 0.02 2.72 1.02 -1.26 -0.56 119.74 128.12 1q5h s LYS 44 Ca 0.07 1.52 0.19 0.00 0.02 0.00 0.00 55.97 57.76 1q5h s LYS 44 Cb -0.17 -3.35 -0.17 0.00 -0.52 0.00 0.00 37.83 33.62 1q5h s LYS 44 CO 0.11 0.19 0.68 0.25 -0.92 0.00 0.00 175.35 175.66 1q5h n THR 45 N 2.65 0.95 -2.25 2.17 -2.24 -0.98 -1.93 114.28 112.64 1q5h n THR 45 Ca 0.02 -0.67 -0.17 0.00 -2.27 0.00 0.00 64.05 60.96 1q5h n THR 45 Cb 0.48 -0.52 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1q5h n THR 45 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1q5h n ASP 46 N -2.73 -5.12 -4.42 3.42 9.92 -1.26 -4.42 116.55 111.94 1q5h n ASP 46 Ca -0.11 0.03 -0.28 0.00 -0.53 0.00 0.00 54.79 53.90 1q5h n ASP 46 Cb 0.81 -4.20 -0.12 0.00 -0.64 0.00 0.00 41.12 36.96 1q5h n ASP 46 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1q5h s ILE 47 N -2.85 2.40 0.03 0.53 -4.36 -1.26 0.00 121.20 115.69 1q5h s ILE 47 Ca 0.00 -1.82 0.04 0.00 -0.26 0.00 0.00 60.65 58.61 1q5h s ILE 47 Cb 0.00 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1q5h s ILE 47 CO 0.00 0.01 -0.07 0.00 0.24 0.00 0.00 174.94 175.13 1q5h s GLN 48 N -2.31 2.48 0.12 0.37 -2.07 -0.58 -1.51 119.66 116.15 1q5h s GLN 48 Ca 0.17 -0.78 0.08 0.00 -1.82 0.00 0.00 55.36 53.01 1q5h s GLN 48 Cb -0.09 -2.47 -0.04 0.00 -1.09 0.00 0.00 33.01 29.32 1q5h s GLN 48 CO 0.08 0.58 -0.20 0.96 -1.32 0.00 0.00 175.29 175.39 1q5h s ILE 49 N -1.07 1.72 -0.32 3.63 -4.36 -1.26 -1.62 121.20 117.92 1q5h s ILE 49 Ca 0.19 -1.64 0.03 0.00 -0.26 0.00 0.00 60.65 58.97 1q5h s ILE 49 Cb -0.11 -1.62 0.09 0.00 1.25 0.00 0.00 42.46 42.07 1q5h s ILE 49 CO 0.10 -0.14 0.01 0.00 0.24 0.00 0.00 174.94 175.15 1q5h s ALA 50 N -1.42 2.82 0.53 2.27 0.00 0.42 -4.63 121.76 121.76 1q5h s ALA 50 Ca 0.09 -2.29 -0.20 0.00 0.00 0.00 0.00 51.96 49.56 1q5h s ALA 50 Cb -0.09 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1q5h s ALA 50 CO 0.05 -1.54 1.11 -0.51 0.00 0.00 0.00 175.76 174.86 1q5h s LEU 51 N 0.98 3.77 0.74 0.00 1.43 -1.26 -2.43 118.68 121.91 1q5h s LEU 51 Ca 0.05 2.12 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 1q5h s LEU 51 Cb -0.20 -4.58 0.04 0.00 0.03 0.00 0.00 46.19 41.48 1q5h s LEU 51 CO -0.07 -1.13 1.19 -2.65 0.23 0.00 0.00 176.35 173.92 1q5h n PRO 52 N -1.23 0.57 -1.90 1.29 -0.02 -1.25 -4.90 135.00 127.55 1q5h n PRO 52 Ca 0.11 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1q5h n PRO 52 Cb 0.51 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 1q5h n PRO 52 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1q5h s SER 53 N -1.77 6.51 0.00 2.55 0.15 -1.26 -3.60 113.70 116.28 1q5h s SER 53 Ca 0.77 2.83 0.00 0.00 0.70 0.00 0.00 55.95 60.24 1q5h s SER 53 Cb -0.33 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 1q5h s SER 53 CO 0.47 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1q5h n GLY 54 N 1.89 0.79 3.35 9.45 0.00 -1.26 -4.97 105.19 114.43 1q5h n GLY 54 Ca 0.06 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 1q5h n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q5h s TYR 56 N -3.92 2.56 -0.33 0.00 1.13 -0.75 -4.39 117.35 111.64 1q5h s TYR 56 Ca 0.13 -0.61 -0.12 0.00 -1.41 0.00 0.00 57.07 55.06 1q5h s TYR 56 Cb 0.03 -1.84 -0.02 0.00 -1.10 0.00 0.00 41.96 39.03 1q5h s TYR 56 CO -0.03 0.33 0.21 0.20 -2.51 0.00 0.00 175.55 173.75 1q5h s GLY 57 N -3.80 1.93 -0.28 5.49 0.00 -0.35 -1.74 107.32 108.57 1q5h s GLY 57 Ca 0.38 -1.36 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 1q5h s GLY 57 CO 0.20 0.74 0.37 -1.60 0.00 0.00 0.00 173.10 172.81 1q5h s ARG 58 N 1.69 3.97 -0.28 2.90 3.52 -0.03 -0.70 118.95 130.02 1q5h s ARG 58 Ca 0.06 -0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.35 1q5h s ARG 58 Cb -0.17 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1q5h s ARG 58 CO 0.09 -0.30 1.15 0.08 -0.81 0.00 0.00 175.30 175.51 1q5h s VAL 59 N 2.06 4.41 0.17 7.11 1.01 -0.04 -1.30 120.40 133.81 1q5h s VAL 59 Ca 0.14 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.86 1q5h s VAL 59 Cb -0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 1q5h s VAL 59 CO 0.10 -0.40 -0.22 0.00 0.00 0.00 0.00 175.10 174.58 1q5h s ALA 60 N 3.76 2.30 0.36 5.51 0.00 0.35 -4.71 121.76 129.33 1q5h s ALA 60 Ca 0.49 -1.54 -0.27 0.00 0.00 0.00 0.00 51.96 50.64 1q5h s ALA 60 Cb -0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1q5h s ALA 60 CO 0.16 0.38 1.16 -2.14 0.00 0.00 0.00 175.76 175.32 1q5h s PRO 61 N -2.56 4.25 0.51 0.00 0.02 -1.26 -1.08 135.00 134.88 1q5h s PRO 61 Ca 0.17 1.86 -0.20 0.00 0.02 0.00 0.00 61.00 62.85 1q5h s PRO 61 Cb -0.08 -2.85 -0.07 0.00 0.02 0.00 0.00 34.50 31.53 1q5h s PRO 61 CO 0.08 -0.16 1.12 1.03 -0.33 0.00 0.00 177.00 178.74 1q5h s ARG 62 N -2.04 3.53 -0.04 5.54 0.52 -1.26 -4.76 118.95 120.45 1q5h s ARG 62 Ca 0.53 1.60 -0.23 0.00 -0.52 0.00 0.00 55.73 57.11 1q5h s ARG 62 Cb -0.32 -2.12 -0.26 0.00 0.52 0.00 0.00 34.95 32.78 1q5h s ARG 62 CO 0.40 -0.70 1.00 0.77 0.02 0.00 0.00 175.30 176.80 1q5h h SER 63 N 1.47 0.37 -0.22 0.23 0.02 -1.98 -3.05 113.55 110.39 1q5h h SER 63 Ca -0.50 -0.83 0.04 0.00 -0.84 0.00 0.00 61.79 59.66 1q5h h SER 63 Cb 1.25 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1q5h h SER 63 CO 0.58 1.16 -0.01 1.23 -1.14 0.00 0.00 176.83 178.66 1q5h h GLY 64 N -0.37 0.21 0.92 -3.77 0.00 -1.99 -0.77 103.07 97.30 1q5h h GLY 64 Ca -0.07 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1q5h h GLY 64 CO 0.09 -0.05 0.61 1.41 0.00 0.00 0.00 176.54 178.61 1q5h h LEU 65 N 0.06 1.03 0.31 3.11 3.38 -1.93 -0.53 115.31 120.74 1q5h h LEU 65 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q5h h LEU 65 Cb 0.13 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1q5h h LEU 65 CO -0.18 0.72 -0.15 0.00 0.09 0.00 0.00 178.44 178.93 1q5h h ALA 66 N 1.37 -0.41 -0.14 1.53 0.00 -1.39 -1.24 119.26 118.97 1q5h h ALA 66 Ca 0.36 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1q5h h ALA 66 Cb -0.05 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1q5h h ALA 66 CO -0.10 -0.62 -0.43 0.00 0.00 0.00 0.00 179.25 178.09 1q5h h ALA 67 N -0.03 1.01 0.02 0.00 0.00 -0.99 -2.47 119.26 116.79 1q5h h ALA 67 Ca -0.04 -0.44 -0.37 0.00 0.00 0.00 0.00 54.91 54.06 1q5h h ALA 67 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.10 1q5h h ALA 67 CO 0.07 0.62 -2.08 1.63 0.00 0.00 0.00 179.25 179.49 1q5h n LYS 68 N -4.01 0.61 -0.01 0.00 5.02 -0.22 -4.69 118.16 114.87 1q5h n LYS 68 Ca -0.02 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 1q5h n LYS 68 Cb 0.51 -1.60 0.08 0.00 -0.02 0.00 0.00 35.03 34.00 1q5h n LYS 68 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1q5h n HIS 69 N -4.06 0.02 -3.17 2.13 8.25 -0.51 -4.98 115.22 112.89 1q5h n HIS 69 Ca -0.44 -0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 56.80 1q5h n HIS 69 Cb 0.86 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.02 1q5h n HIS 69 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1q5h n PHE 70 N 1.04 -2.15 -3.39 4.41 -0.00 -0.93 -4.10 117.46 112.34 1q5h n PHE 70 Ca 0.11 0.66 -0.38 0.00 -0.00 0.00 0.00 57.45 57.84 1q5h n PHE 70 Cb 0.46 -4.43 -0.06 0.00 -0.00 0.00 0.00 39.48 35.45 1q5h n PHE 70 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1q5h s ILE 71 N -3.20 5.12 0.21 -2.13 -1.09 -1.05 -1.85 121.20 117.21 1q5h s ILE 71 Ca 0.38 0.90 0.06 0.00 -2.23 0.00 0.00 60.65 59.76 1q5h s ILE 71 Cb -0.17 -3.77 -0.05 0.00 -1.58 0.00 0.00 42.46 36.89 1q5h s ILE 71 CO 0.47 0.43 -0.09 -0.62 -1.23 0.00 0.00 174.94 173.90 1q5h s ASP 72 N -0.05 2.24 -0.21 3.58 3.68 -0.44 -3.78 116.67 121.69 1q5h s ASP 72 Ca 0.25 -1.09 -0.04 0.00 2.13 0.00 0.00 52.55 53.80 1q5h s ASP 72 Cb -0.16 -0.08 -0.01 0.00 -1.45 0.00 0.00 42.92 41.22 1q5h s ASP 72 CO 0.11 -0.31 -0.04 -0.69 0.13 0.00 0.00 175.17 174.37 1q5h s VAL 73 N -3.17 3.49 0.67 1.11 1.01 -1.26 -0.78 120.40 121.47 1q5h s VAL 73 Ca 0.23 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1q5h s VAL 73 Cb 0.02 -2.58 0.08 0.00 0.00 0.00 0.00 36.38 33.90 1q5h s VAL 73 CO 0.06 0.43 0.94 -0.83 0.00 0.00 0.00 175.10 175.71 1q5h s GLY 74 N 1.29 1.76 0.00 4.51 0.00 -0.03 -4.91 107.32 109.94 1q5h s GLY 74 Ca 0.04 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1q5h s GLY 74 CO -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 173.10 172.21 1q5h n ALA 75 N -2.74 0.00 0.00 3.20 0.00 -1.26 -4.41 120.51 115.30 1q5h n ALA 75 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1q5h n ALA 75 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1q5h n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q5h n GLY 76 N 0.00 0.66 3.47 0.00 0.00 -1.26 -4.96 105.19 103.10 1q5h n GLY 76 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1q5h n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q5h s VAL 77 N -2.00 5.00 -0.43 1.61 1.01 -1.26 -0.86 120.40 123.47 1q5h s VAL 77 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.41 1q5h s VAL 77 Cb 0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.26 1q5h s VAL 77 CO 0.00 -0.59 0.35 -0.63 0.00 0.00 0.00 175.10 174.23 1q5h s ILE 78 N 2.33 5.22 0.56 2.22 -1.09 0.12 -5.00 121.20 125.57 1q5h s ILE 78 Ca 0.14 -0.73 -0.20 0.00 -2.23 0.00 0.00 60.65 57.62 1q5h s ILE 78 Cb -0.18 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.65 1q5h s ILE 78 CO 0.13 -0.41 1.24 -1.81 -1.23 0.00 0.00 174.94 172.86 1q5h s ASP 79 N 1.97 5.36 0.46 3.58 1.11 -1.26 -1.22 116.67 126.67 1q5h s ASP 79 Ca 0.06 2.48 0.19 0.00 0.18 0.00 0.00 52.55 55.46 1q5h s ASP 79 Cb -0.20 -2.61 1.18 0.00 1.07 0.00 0.00 42.92 42.36 1q5h s ASP 79 CO 0.10 -1.49 1.94 -0.08 1.18 0.00 0.00 175.17 176.82 1q5h h GLU 80 N 1.22 0.26 -0.49 8.23 4.81 -1.96 -2.04 114.58 124.61 1q5h h GLU 80 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1q5h h GLU 80 Cb 1.29 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1q5h h GLU 80 CO 0.56 0.17 0.00 -0.40 -0.73 0.00 0.00 179.01 178.61 1q5h n ASP 81 N -4.44 2.89 -4.70 1.04 5.68 -1.26 -4.39 116.55 111.37 1q5h n ASP 81 Ca 0.13 -1.97 -0.42 0.00 -0.50 0.00 0.00 54.79 52.03 1q5h n ASP 81 Cb 0.57 -0.32 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 1q5h n ASP 81 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1q5h s TYR 82 N -1.35 3.56 -0.01 2.11 5.04 -0.77 -4.93 117.35 120.99 1q5h s TYR 82 Ca 0.37 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.60 1q5h s TYR 82 Cb 0.20 -3.20 0.03 0.00 0.35 0.00 0.00 41.96 39.34 1q5h s TYR 82 CO 0.26 -0.33 0.97 0.54 -1.34 0.00 0.00 175.55 175.65 1q5h n ARG 83 N 4.26 2.53 -0.96 4.97 5.12 -1.26 -4.63 116.66 126.68 1q5h n ARG 83 Ca 0.07 -1.52 -0.08 0.00 -1.93 0.00 0.00 57.85 54.40 1q5h n ARG 83 Cb 0.49 -1.00 0.05 0.00 -1.16 0.00 0.00 32.46 30.84 1q5h n ARG 83 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q5h n GLY 84 N -0.55 -0.03 3.69 -0.13 0.00 -1.26 -4.83 105.19 102.07 1q5h n GLY 84 Ca 0.02 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1q5h n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1q5h s ASN 85 N -2.32 6.80 -0.22 1.61 3.84 -1.26 -4.33 114.94 119.06 1q5h s ASN 85 Ca 0.21 2.18 -0.29 0.00 0.21 0.00 0.00 52.86 55.17 1q5h s ASN 85 Cb -0.01 -2.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.12 1q5h s ASN 85 CO 0.14 -0.76 1.39 -0.69 -2.79 0.00 0.00 177.10 174.39 1q5h s VAL 86 N 2.52 4.04 -0.02 -5.21 1.01 -0.57 -4.97 120.40 117.21 1q5h s VAL 86 Ca 0.66 1.21 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 1q5h s VAL 86 Cb -0.33 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1q5h s VAL 86 CO 0.27 -0.29 0.06 -0.83 0.00 0.00 0.00 175.10 174.31 1q5h s GLY 87 N 2.89 1.98 -0.21 4.51 0.00 -1.26 -2.32 107.32 112.90 1q5h s GLY 87 Ca 0.60 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 44.43 1q5h s GLY 87 CO 0.22 -0.73 -0.08 0.14 0.00 0.00 0.00 173.10 172.65 1q5h s VAL 88 N -1.14 3.08 -0.42 1.40 1.01 0.28 -4.93 120.40 119.69 1q5h s VAL 88 Ca 0.21 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.38 1q5h s VAL 88 Cb -0.12 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1q5h s VAL 88 CO 0.12 0.45 0.71 -0.69 0.00 0.00 0.00 175.10 175.69 1q5h s VAL 89 N 1.40 4.76 -0.15 2.92 1.01 -1.26 -0.45 120.40 128.63 1q5h s VAL 89 Ca 0.05 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1q5h s VAL 89 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1q5h s VAL 89 CO -0.05 -0.57 0.05 -0.76 0.00 0.00 0.00 175.10 173.77 1q5h s LEU 90 N 3.00 3.79 -0.19 3.92 1.43 -0.48 -0.85 118.68 129.30 1q5h s LEU 90 Ca 0.26 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1q5h s LEU 90 Cb -0.13 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1q5h s LEU 90 CO 0.19 0.25 -0.02 -0.36 0.23 0.00 0.00 176.35 176.64 1q5h s PHE 91 N -0.09 3.01 -0.48 0.29 2.99 0.04 -1.78 117.98 121.97 1q5h s PHE 91 Ca 0.06 -0.48 -0.12 0.00 0.00 0.00 0.00 56.93 56.39 1q5h s PHE 91 Cb -0.12 -2.04 0.11 0.00 0.00 0.00 0.00 43.02 40.96 1q5h s PHE 91 CO 0.01 -0.22 0.38 1.21 -0.00 0.00 0.00 175.22 176.60 1q5h s ASN 92 N 0.87 5.89 0.00 1.36 2.47 -0.22 -1.32 114.94 123.98 1q5h s ASN 92 Ca 0.00 -1.71 0.25 0.00 0.42 0.00 0.00 52.86 51.82 1q5h s ASN 92 Cb -0.14 -2.09 0.60 0.00 -1.45 0.00 0.00 41.25 38.17 1q5h s ASN 92 CO 0.02 -0.70 1.49 0.49 -3.72 0.00 0.00 177.10 174.67 1q5h n PHE 93 N 5.05 0.10 -1.66 0.43 3.72 -0.77 -0.07 117.46 124.26 1q5h n PHE 93 Ca -0.11 -0.05 -0.29 0.00 -0.05 0.00 0.00 57.45 56.95 1q5h n PHE 93 Cb 0.41 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 39.10 1q5h n PHE 93 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1q5h s GLY 94 N -1.86 1.62 0.00 1.37 0.00 -1.25 -4.72 107.32 102.47 1q5h s GLY 94 Ca 0.34 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.58 1q5h s GLY 94 CO 0.31 -0.11 1.23 0.58 0.00 0.00 0.00 173.10 175.12 1q5h n LYS 95 N -3.74 0.51 -4.27 2.90 2.85 -1.26 -3.75 118.16 111.39 1q5h n LYS 95 Ca 0.09 -0.37 -0.24 0.00 -1.05 0.00 0.00 58.31 56.73 1q5h n LYS 95 Cb 0.60 -1.49 -0.08 0.00 -0.65 0.00 0.00 35.03 33.41 1q5h n LYS 95 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1q5h s GLU 96 N -2.75 2.29 0.49 -1.58 -1.05 -1.26 -4.74 118.70 110.11 1q5h s GLU 96 Ca 0.15 -1.32 -0.23 0.00 -0.15 0.00 0.00 54.97 53.43 1q5h s GLU 96 Cb 0.18 -2.21 -0.06 0.00 -0.44 0.00 0.00 34.13 31.59 1q5h s GLU 96 CO 0.67 0.40 1.24 -1.59 0.95 0.00 0.00 175.26 176.93 1q5h s LYS 97 N -3.39 3.54 -0.18 -4.83 -2.85 -1.26 -4.25 119.74 106.52 1q5h s LYS 97 Ca 0.30 1.96 -0.05 0.00 -1.00 0.00 0.00 55.97 57.18 1q5h s LYS 97 Cb -0.07 -2.37 -0.03 0.00 -2.06 0.00 0.00 37.83 33.30 1q5h s LYS 97 CO 0.19 -0.79 0.00 0.12 0.10 0.00 0.00 175.35 174.97 1q5h s PHE 98 N -1.44 3.08 -0.23 1.78 2.19 -0.23 -4.95 117.98 118.18 1q5h s PHE 98 Ca 0.66 -0.28 -0.10 0.00 0.33 0.00 0.00 56.93 57.54 1q5h s PHE 98 Cb -0.33 -2.04 -0.05 0.00 -1.31 0.00 0.00 43.02 39.29 1q5h s PHE 98 CO 0.40 -0.08 0.16 -1.21 1.83 0.00 0.00 175.22 176.32 1q5h s GLU 99 N 0.63 4.11 -0.16 10.12 0.41 -1.26 -1.11 118.70 131.43 1q5h s GLU 99 Ca -0.00 -0.25 -0.01 0.00 -0.41 0.00 0.00 54.97 54.30 1q5h s GLU 99 Cb -0.14 -3.51 -0.01 0.00 -1.78 0.00 0.00 34.13 28.70 1q5h s GLU 99 CO 0.02 0.13 -0.11 0.08 -0.49 0.00 0.00 175.26 174.89 1q5h s VAL 100 N 0.86 3.08 0.21 2.63 1.01 0.39 -5.01 120.40 123.57 1q5h s VAL 100 Ca 0.08 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1q5h s VAL 100 Cb -0.13 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1q5h s VAL 100 CO 0.03 0.49 -0.12 -0.54 0.00 0.00 0.00 175.10 174.95 1q5h s LYS 101 N 0.81 1.93 0.03 2.72 -0.14 -1.26 -0.69 119.74 123.14 1q5h s LYS 101 Ca -0.04 -1.42 -0.37 0.00 -1.36 0.00 0.00 55.97 52.79 1q5h s LYS 101 Cb -0.15 -2.04 -0.16 0.00 -1.68 0.00 0.00 37.83 33.80 1q5h s LYS 101 CO 0.01 0.40 1.44 1.17 -0.76 0.00 0.00 175.35 177.61 1q5h n LYS 102 N -0.16 1.27 -0.01 1.68 4.81 -1.11 -1.59 118.16 123.05 1q5h n LYS 102 Ca -0.10 0.46 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 1q5h n LYS 102 Cb 0.57 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1q5h n LYS 102 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q5h n GLY 103 N 2.91 0.51 3.75 3.14 0.00 0.34 -4.99 105.19 110.86 1q5h n GLY 103 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1q5h n GLY 103 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q5h s ASP 104 N -2.38 7.10 -0.26 1.61 1.11 -0.62 -4.79 116.67 118.44 1q5h s ASP 104 Ca 0.00 2.33 -0.28 0.00 0.18 0.00 0.00 52.55 54.78 1q5h s ASP 104 Cb 0.00 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.38 1q5h s ASP 104 CO 0.00 -0.31 0.98 -0.13 1.18 0.00 0.00 175.17 176.88 1q5h s ARG 105 N -0.95 4.17 0.00 8.23 0.52 -1.26 -1.34 118.95 128.32 1q5h s ARG 105 Ca 0.49 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.83 1q5h s ARG 105 Cb -0.34 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.46 1q5h s ARG 105 CO 0.41 -0.68 0.00 0.44 0.02 0.00 0.00 175.30 175.49 1q5h n ILE 106 N 5.46 0.00 -3.89 1.52 -6.64 -0.71 -5.00 119.36 110.10 1q5h n ILE 106 Ca 0.10 -0.47 -0.04 0.00 -1.77 0.00 0.00 62.75 60.57 1q5h n ILE 106 Cb 0.47 0.98 0.02 0.00 -1.44 0.00 0.00 39.64 39.67 1q5h n ILE 106 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1q5h s ALA 107 N -1.00 -1.44 0.08 -1.28 0.00 -1.24 -4.57 121.76 112.31 1q5h s ALA 107 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.51 1q5h s ALA 107 Cb 0.00 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1q5h s ALA 107 CO 0.00 -1.05 -0.07 1.14 0.00 0.00 0.00 175.76 175.77 1q5h s GLN 108 N -2.06 0.72 -0.21 0.00 -2.07 -0.24 -1.37 119.66 114.44 1q5h s GLN 108 Ca 0.22 -1.10 -0.00 0.00 -1.82 0.00 0.00 55.36 52.66 1q5h s GLN 108 Cb -0.03 -0.27 0.02 0.00 -1.09 0.00 0.00 33.01 31.63 1q5h s GLN 108 CO 0.07 0.02 -0.14 -1.17 -1.32 0.00 0.00 175.29 172.75 1q5h s LEU 109 N -2.43 2.55 -0.11 2.60 2.96 0.76 -0.50 118.68 124.52 1q5h s LEU 109 Ca 0.03 -0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 53.24 1q5h s LEU 109 Cb -0.01 -1.57 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1q5h s LEU 109 CO -0.02 -0.04 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.27 1q5h s ILE 110 N 1.32 3.69 -0.98 6.68 1.01 -0.42 -1.15 121.20 131.35 1q5h s ILE 110 Ca 0.03 -0.46 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1q5h s ILE 110 Cb -0.14 -2.55 0.17 0.00 0.01 0.00 0.00 42.46 39.94 1q5h s ILE 110 CO -0.09 0.55 1.12 0.00 0.00 0.00 0.00 174.94 176.52 1q5h s GLU 112 N 1.62 4.28 0.05 0.00 0.41 -0.71 -4.89 118.70 119.45 1q5h s GLU 112 Ca 0.32 1.42 -0.30 0.00 -0.41 0.00 0.00 54.97 55.99 1q5h s GLU 112 Cb -0.06 -3.64 -0.05 0.00 -1.78 0.00 0.00 34.13 28.60 1q5h s GLU 112 CO -0.07 -0.60 1.09 1.03 -0.49 0.00 0.00 175.26 176.22 1q5h s ARG 113 N 3.06 4.51 0.16 1.61 0.52 -1.26 -1.82 118.95 125.74 1q5h s ARG 113 Ca 0.47 1.61 0.03 0.00 -0.52 0.00 0.00 55.73 57.31 1q5h s ARG 113 Cb -0.17 -3.39 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 1q5h s ARG 113 CO 0.09 -0.12 -0.04 0.96 0.02 0.00 0.00 175.30 176.22 1q5h s ILE 114 N 0.87 0.87 0.32 1.52 -4.36 -1.03 -4.97 121.20 114.42 1q5h s ILE 114 Ca 0.55 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.88 1q5h s ILE 114 Cb -0.26 -2.02 -0.05 0.00 1.25 0.00 0.00 42.46 41.38 1q5h s ILE 114 CO 0.29 -0.58 0.60 -0.36 0.24 0.00 0.00 174.94 175.13 1q5h s PHE 115 N -3.52 3.48 -0.72 1.37 2.99 -1.26 -4.70 117.98 115.61 1q5h s PHE 115 Ca 0.21 0.70 0.04 0.00 0.00 0.00 0.00 56.93 57.88 1q5h s PHE 115 Cb 0.05 -2.16 0.22 0.00 0.00 0.00 0.00 43.02 41.13 1q5h s PHE 115 CO 0.02 0.09 0.70 0.66 -0.00 0.00 0.00 175.22 176.70 1q5h n TYR 116 N -1.13 3.51 -2.16 0.36 4.01 -1.26 -5.11 117.16 115.38 1q5h n TYR 116 Ca -0.01 -4.12 -0.32 0.00 -0.16 0.00 0.00 57.90 53.28 1q5h n TYR 116 Cb 0.54 -0.70 -0.01 0.00 -0.31 0.00 0.00 39.34 38.87 1q5h n TYR 116 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1q5h s PRO 117 N -2.00 3.58 0.23 -0.72 0.04 -1.26 -5.05 135.00 129.83 1q5h s PRO 117 Ca 0.32 1.06 -0.20 0.00 0.04 0.00 0.00 61.00 62.23 1q5h s PRO 117 Cb 0.05 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.43 1q5h s PRO 117 CO -0.08 -0.59 0.74 -2.00 0.04 0.00 0.00 177.00 175.12 1q5h s GLU 118 N -4.17 4.26 -0.14 4.56 2.12 -1.26 -5.08 118.70 119.00 1q5h s GLU 118 Ca 0.61 0.89 -0.09 0.00 0.36 0.00 0.00 54.97 56.73 1q5h s GLU 118 Cb -0.13 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.36 1q5h s GLU 118 CO 0.36 0.37 0.18 -1.50 -0.54 0.00 0.00 175.26 174.14 1q5h s ILE 119 N -1.55 5.41 -0.06 -3.70 2.07 -1.26 -5.09 121.20 117.01 1q5h s ILE 119 Ca 0.44 0.31 0.01 0.00 -1.41 0.00 0.00 60.65 60.00 1q5h s ILE 119 Cb -0.16 -3.48 0.02 0.00 0.13 0.00 0.00 42.46 38.97 1q5h s ILE 119 CO 0.21 0.54 -0.05 -0.70 -1.91 0.00 0.00 174.94 173.03 1q5h s GLU 120 N -0.46 0.96 0.07 3.50 2.12 -1.26 -5.13 118.70 118.50 1q5h s GLU 120 Ca 0.14 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.12 1q5h s GLU 120 Cb -0.12 -1.02 -0.06 0.00 0.26 0.00 0.00 34.13 33.19 1q5h s GLU 120 CO 0.03 -0.14 0.71 -2.00 -0.54 0.00 0.00 175.26 173.33 1q5h s GLU 121 N 1.19 4.45 0.28 4.30 2.12 -1.26 -5.08 118.70 124.70 1q5h s GLU 121 Ca -0.06 0.99 0.05 0.00 0.36 0.00 0.00 54.97 56.31 1q5h s GLU 121 Cb -0.14 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 30.88 1q5h s GLU 121 CO -0.02 0.42 -0.02 0.14 -0.54 0.00 0.00 175.26 175.25 1q5h s VAL 122 N -0.51 1.40 0.06 3.70 -7.23 -1.26 -5.08 120.40 111.48 1q5h s VAL 122 Ca 0.35 -2.07 -0.32 0.00 -1.81 0.00 0.00 61.98 58.13 1q5h s VAL 122 Cb -0.21 -2.52 -0.19 0.00 0.56 0.00 0.00 36.38 34.03 1q5h s VAL 122 CO 0.22 -0.23 1.55 -0.61 -0.31 0.00 0.00 175.10 175.72 1q5h h GLN 123 N 2.28 -0.89 -3.11 4.82 4.15 -2.10 -3.46 115.11 116.79 1q5h h GLN 123 Ca -0.40 0.06 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 1q5h h GLN 123 Cb 1.23 0.20 -0.20 0.00 0.21 0.00 0.00 27.48 28.93 1q5h h GLN 123 CO 0.67 -0.58 -0.29 0.00 -1.93 0.00 0.00 178.83 176.71 1q5h s ALA 124 N -5.87 -0.73 0.07 3.38 0.00 -1.26 -5.17 121.76 112.19 1q5h s ALA 124 Ca -0.17 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.04 1q5h s ALA 124 Cb 0.03 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1q5h s ALA 124 CO 0.60 -0.28 0.15 -0.51 0.00 0.00 0.00 175.76 175.72 1q5h s LEU 125 N -1.44 4.09 0.33 0.00 1.43 -1.26 -5.10 118.68 116.73 1q5h s LEU 125 Ca -0.12 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 1q5h s LEU 125 Cb -0.05 -2.73 -0.09 0.00 0.03 0.00 0.00 46.19 43.35 1q5h s LEU 125 CO 0.03 0.17 1.05 -1.81 0.23 0.00 0.00 176.35 176.02 1q5h s ASP 126 N -2.47 7.08 0.37 2.29 1.11 -1.26 -5.04 116.67 118.75 1q5h s ASP 126 Ca 0.32 2.12 -0.21 0.00 0.18 0.00 0.00 52.55 54.95 1q5h s ASP 126 Cb -0.13 -2.60 -0.10 0.00 1.07 0.00 0.00 42.92 41.16 1q5h s ASP 126 CO 0.25 -0.27 0.90 -1.81 1.18 0.00 0.00 175.17 175.42 1q5h s ASP 127 N -1.25 7.04 0.00 0.27 1.11 -1.26 -5.08 116.67 117.50 1q5h s ASP 127 Ca 0.50 1.65 0.00 0.00 0.18 0.00 0.00 52.55 54.89 1q5h s ASP 127 Cb -0.26 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.21 1q5h s ASP 127 CO 0.33 -0.22 0.00 0.35 1.18 0.00 0.00 175.17 176.81 1q5h n THR 128 N -0.15 0.00 0.02 -1.27 -2.24 -1.26 -5.01 114.28 104.37 1q5h n THR 128 Ca 0.04 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 1q5h n THR 128 Cb 0.53 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1q5h n THR 128 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1q5h n GLU 129 N 0.00 0.80 0.09 -0.78 2.13 -1.26 -4.54 120.64 117.08 1q5h n GLU 129 Ca 0.00 -0.03 -0.06 0.00 0.66 0.00 0.00 57.16 57.73 1q5h n GLU 129 Cb 0.00 -1.04 0.06 0.00 0.27 0.00 0.00 31.44 30.73 1q5h n GLU 129 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1q5h h ARG 130 N 0.00 0.16 0.00 5.31 2.43 -1.96 -3.49 114.38 116.83 1q5h h ARG 130 Ca 0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1q5h h ARG 130 Cb 0.17 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1q5h h ARG 130 CO 0.00 0.83 0.00 0.41 -1.51 0.00 0.00 179.97 179.70 1q5h n GLY 131 N 0.56 0.20 0.22 2.80 0.00 -1.26 -3.83 105.19 103.88 1q5h n GLY 131 Ca -0.02 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.21 1q5h n GLY 131 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1q5h n SER 132 N -0.58 1.22 -4.62 1.61 3.41 -1.26 -4.89 113.62 108.51 1q5h n SER 132 Ca 0.00 -0.98 -0.43 0.00 -0.26 0.00 0.00 58.87 57.20 1q5h n SER 132 Cb 0.00 0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.39 1q5h n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1q5h s GLY 133 N -2.71 1.17 0.05 5.00 0.00 -1.25 -4.98 107.32 104.60 1q5h s GLY 133 Ca 0.16 0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.18 1q5h s GLY 133 CO 0.65 2.94 0.02 0.61 0.00 0.00 0.00 173.10 177.32 1q5h n GLY 134 N 4.77 3.99 3.79 0.20 0.00 -1.26 -4.95 105.19 111.73 1q5h n GLY 134 Ca 0.18 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1q5h n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q5h n PHE 135 N -0.12 -1.79 1.43 1.61 3.01 -1.26 -5.27 117.46 115.06 1q5h n PHE 135 Ca -0.01 0.53 0.14 0.00 1.01 0.00 0.00 57.45 59.12 1q5h n PHE 135 Cb 0.08 -3.53 0.46 0.00 -0.01 0.00 0.00 39.48 36.48 1q5h n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18