#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q5h n HIS -4 N 0.00 0.00 -4.93 1.57 8.25 -1.26 -5.01 115.22 113.85 1q5h n HIS -4 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1q5h n HIS -4 Cb 0.00 -0.74 -0.15 0.00 1.12 0.00 0.00 29.99 30.22 1q5h n HIS -4 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1q5h s HIS -3 N -2.37 2.70 -0.31 4.41 3.76 -1.26 -5.09 115.29 117.13 1q5h s HIS -3 Ca -0.15 -0.58 -0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1q5h s HIS -3 Cb 0.05 -1.74 0.10 0.00 1.11 0.00 0.00 32.58 32.10 1q5h s HIS -3 CO 0.54 -0.13 0.09 -1.01 -0.85 0.00 0.00 174.74 173.38 1q5h s HIS -2 N 0.00 2.00 0.27 1.40 0.09 -1.26 -5.10 115.29 112.69 1q5h s HIS -2 Ca -0.05 -1.91 -0.02 0.00 -0.00 0.00 0.00 55.06 53.08 1q5h s HIS -2 Cb -0.14 -1.88 -0.02 0.00 -0.00 0.00 0.00 32.58 30.54 1q5h s HIS -2 CO 0.04 -0.88 0.32 -1.01 -0.00 0.00 0.00 174.74 173.21 1q5h s HIS -1 N 1.51 1.07 -0.08 1.40 3.76 -1.26 -5.16 115.29 116.54 1q5h s HIS -1 Ca 0.10 -1.27 0.00 0.00 -0.15 0.00 0.00 55.06 53.74 1q5h s HIS -1 Cb -0.17 -0.31 -0.03 0.00 1.11 0.00 0.00 32.58 33.17 1q5h s HIS -1 CO -0.22 -0.88 -0.06 -1.01 -0.85 0.00 0.00 174.74 171.71 1q5h s HIS 0 N -3.73 2.95 0.38 1.40 0.09 -1.26 -5.11 115.29 110.02 1q5h s HIS 0 Ca 0.34 -0.00 -0.26 0.00 -0.00 0.00 0.00 55.06 55.13 1q5h s HIS 0 Cb 0.03 -1.74 -0.09 0.00 -0.00 0.00 0.00 32.58 30.78 1q5h s HIS 0 CO 0.16 0.30 1.23 -1.64 -0.00 0.00 0.00 174.74 174.79 1q5h s MET 1 N -0.71 4.10 0.15 1.40 1.00 -1.26 -5.04 119.30 118.95 1q5h s MET 1 Ca 0.11 1.99 0.10 0.00 0.00 0.00 0.00 55.69 57.89 1q5h s MET 1 Cb -0.11 -2.79 -0.04 0.00 0.00 0.00 0.00 34.83 31.88 1q5h s MET 1 CO 0.02 -0.32 -0.21 -0.65 0.00 0.00 0.00 175.02 173.85 1q5h s GLN 2 N -2.15 1.65 -0.51 2.03 -0.21 -1.26 -5.04 119.66 114.17 1q5h s GLN 2 Ca 0.55 -1.34 -0.26 0.00 0.02 0.00 0.00 55.36 54.33 1q5h s GLN 2 Cb -0.34 -1.99 0.03 0.00 1.00 0.00 0.00 33.01 31.71 1q5h s GLN 2 CO 0.44 0.44 1.00 -1.17 -2.12 0.00 0.00 175.29 173.88 1q5h s LEU 3 N -2.39 3.89 -0.04 2.90 2.96 -1.26 -4.34 118.68 120.40 1q5h s LEU 3 Ca 0.19 0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 54.00 1q5h s LEU 3 Cb -0.09 -3.15 -0.05 0.00 0.50 0.00 0.00 46.19 43.40 1q5h s LEU 3 CO 0.10 -1.20 0.39 -0.60 -1.32 0.00 0.00 176.35 173.72 1q5h s ARG 4 N 4.10 3.99 0.05 1.98 3.52 -1.15 -4.99 118.95 126.45 1q5h s ARG 4 Ca 0.38 0.35 -0.08 0.00 -0.13 0.00 0.00 55.73 56.25 1q5h s ARG 4 Cb -0.10 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1q5h s ARG 4 CO 0.25 0.57 0.16 -0.59 -0.81 0.00 0.00 175.30 174.88 1q5h s PHE 5 N -0.67 0.13 0.02 5.12 -0.12 -1.26 -0.67 117.98 120.54 1q5h s PHE 5 Ca 0.23 -0.44 0.03 0.00 -0.05 0.00 0.00 56.93 56.69 1q5h s PHE 5 Cb -0.16 -0.08 -0.01 0.00 -0.63 0.00 0.00 43.02 42.14 1q5h s PHE 5 CO 0.11 -0.44 -0.09 0.00 -0.05 0.00 0.00 175.22 174.75 1q5h s ALA 6 N -2.96 0.73 0.18 1.99 0.00 -0.59 -5.01 121.76 116.10 1q5h s ALA 6 Ca -0.02 -0.54 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1q5h s ALA 6 Cb 0.01 -0.11 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 1q5h s ALA 6 CO -0.06 0.12 0.93 1.03 0.00 0.00 0.00 175.76 177.79 1q5h s ARG 7 N -0.74 4.77 0.02 0.00 0.52 -1.26 -1.70 118.95 120.56 1q5h s ARG 7 Ca -0.01 1.45 0.22 0.00 -0.52 0.00 0.00 55.73 56.87 1q5h s ARG 7 Cb -0.06 -3.32 -0.17 0.00 0.52 0.00 0.00 34.95 31.92 1q5h s ARG 7 CO 0.00 0.39 0.77 1.28 0.02 0.00 0.00 175.30 177.77 1q5h n LEU 8 N 2.05 0.45 -3.99 2.53 4.77 0.82 -4.92 117.00 118.70 1q5h n LEU 8 Ca -0.01 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.80 1q5h n LEU 8 Cb 0.48 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.50 1q5h n LEU 8 CO 0.50 0.04 0.24 -0.94 -1.33 0.00 0.00 177.39 175.90 1q5h s SER 9 N -4.16 0.34 0.00 -1.43 1.04 -1.25 -5.02 113.70 103.22 1q5h s SER 9 Ca -0.01 -1.20 0.19 0.00 0.48 0.00 0.00 55.95 55.41 1q5h s SER 9 Cb 0.14 0.68 0.90 0.00 0.10 0.00 0.00 66.02 67.84 1q5h s SER 9 CO 0.86 -1.32 1.59 -1.84 0.98 0.00 0.00 173.24 173.51 1q5h n GLU 10 N -0.49 0.17 0.04 4.02 0.00 -1.26 -3.45 120.64 119.67 1q5h n GLU 10 Ca -0.02 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.40 1q5h n GLU 10 Cb 0.61 -1.50 0.26 0.00 0.00 0.00 0.00 31.44 30.81 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 -1.36 0.32 -2.18 -1.84 8.25 -1.26 -4.93 115.22 112.22 1q5h n HIS 11 Ca 0.07 0.09 -0.32 0.00 -0.26 0.00 0.00 57.72 57.30 1q5h n HIS 11 Cb 0.18 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 30.76 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 2.90 -0.09 -1.41 0.00 -1.22 -4.50 121.76 114.36 1q5h s ALA 12 Ca 0.09 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.35 1q5h s ALA 12 Cb 0.15 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1q5h s ALA 12 CO 0.69 -0.56 -0.19 0.99 0.00 0.00 0.00 175.76 176.69 1q5h s THR 13 N -2.59 2.56 0.14 0.00 2.01 -1.26 -5.06 115.64 111.43 1q5h s THR 13 Ca 0.61 -0.87 -0.33 0.00 0.31 0.00 0.00 61.69 61.41 1q5h s THR 13 Cb -0.13 -2.00 -0.12 0.00 0.01 0.00 0.00 72.50 70.26 1q5h s THR 13 CO 0.36 0.56 1.72 0.00 -0.69 0.00 0.00 174.62 176.56 1q5h n ALA 14 N 3.13 1.93 -1.69 7.40 0.00 -1.26 -4.74 120.51 125.27 1q5h n ALA 14 Ca -0.18 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.24 1q5h n ALA 14 Cb 0.52 -2.48 0.01 0.00 0.00 0.00 0.00 19.45 17.51 1q5h n ALA 14 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1q5h n PRO 15 N 4.48 1.88 -4.38 0.00 -0.02 -1.26 -5.00 135.00 130.69 1q5h n PRO 15 Ca 0.18 0.67 -0.22 0.00 -2.02 0.00 0.00 63.50 62.10 1q5h n PRO 15 Cb 0.33 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.20 2.04 -0.13 3.45 -4.23 -1.21 -4.89 115.64 109.47 1q5h s THR 16 Ca 0.61 -2.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1q5h s THR 16 Cb -0.51 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.29 1q5h s THR 16 CO 0.58 -0.38 -0.20 -0.60 -0.54 0.00 0.00 174.62 173.48 1q5h s ARG 17 N -3.17 2.77 0.07 3.99 3.52 -1.26 0.53 118.95 125.40 1q5h s ARG 17 Ca 0.22 -0.76 -0.32 0.00 -0.13 0.00 0.00 55.73 54.73 1q5h s ARG 17 Cb -0.05 -2.28 -0.16 0.00 -1.56 0.00 0.00 34.95 30.90 1q5h s ARG 17 CO 0.09 -0.05 1.49 0.78 -0.81 0.00 0.00 175.30 176.81 1q5h h GLY 18 N 7.41 -1.22 -1.50 8.12 0.00 -1.95 -3.46 103.07 110.47 1q5h h GLY 18 Ca -0.33 0.54 -0.60 0.00 0.00 0.00 0.00 47.33 46.94 1q5h h GLY 18 CO 0.54 -0.38 -0.58 -1.35 0.00 0.00 0.00 176.54 174.76 1q5h s SER 19 N -4.03 3.54 0.46 0.19 1.04 -1.26 -5.03 113.70 108.60 1q5h s SER 19 Ca -0.16 -1.44 0.31 0.00 0.48 0.00 0.00 55.95 55.15 1q5h s SER 19 Cb 0.03 -0.13 1.51 0.00 0.10 0.00 0.00 66.02 67.54 1q5h s SER 19 CO 0.53 -0.58 1.95 0.00 0.98 0.00 0.00 173.24 176.12 1q5h h ALA 20 N 1.77 1.00 0.00 5.32 0.00 -2.03 -2.97 119.26 122.35 1q5h h ALA 20 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1q5h h ALA 20 Cb 1.26 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 1q5h h ALA 20 CO 0.76 0.00 -0.41 2.89 0.00 0.00 0.00 179.25 182.49 1q5h n ARG 21 N -2.69 0.76 -2.09 0.00 0.00 -1.26 -5.04 116.66 106.34 1q5h n ARG 21 Ca -0.00 -2.17 -0.41 0.00 -0.00 0.00 0.00 57.85 55.26 1q5h n ARG 21 Cb 0.16 -0.99 -0.02 0.00 -0.00 0.00 0.00 32.46 31.61 1q5h n ARG 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1q5h s ALA 22 N -1.65 3.55 0.38 2.89 0.00 -1.13 -4.93 121.76 120.88 1q5h s ALA 22 Ca 0.24 1.26 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1q5h s ALA 22 Cb 0.23 -3.51 0.77 0.00 0.00 0.00 0.00 23.12 20.62 1q5h s ALA 22 CO -0.03 -0.67 1.97 0.00 0.00 0.00 0.00 175.76 177.04 1q5h h ALA 23 N 4.30 1.56 -2.46 0.00 0.00 -1.96 -3.46 119.26 117.25 1q5h h ALA 23 Ca -0.47 -0.12 -0.45 0.00 0.00 0.00 0.00 54.91 53.87 1q5h h ALA 23 Cb 1.22 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.72 1q5h h ALA 23 CO 0.72 0.33 -0.75 0.20 0.00 0.00 0.00 179.25 179.76 1q5h s GLY 24 N -3.83 1.33 -0.08 0.00 0.00 -1.26 -4.50 107.32 98.98 1q5h s GLY 24 Ca -0.07 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 42.92 1q5h s GLY 24 CO 0.74 -1.64 0.47 -0.19 0.00 0.00 0.00 173.10 172.48 1q5h s TYR 25 N -2.69 3.58 0.25 1.90 1.51 -0.05 -4.67 117.35 117.18 1q5h s TYR 25 Ca 0.18 0.94 -0.30 0.00 -1.01 0.00 0.00 57.07 56.88 1q5h s TYR 25 Cb -0.02 -2.49 -0.10 0.00 -0.11 0.00 0.00 41.96 39.24 1q5h s TYR 25 CO 0.06 0.30 1.43 -0.51 -1.11 0.00 0.00 175.55 175.71 1q5h s ASP 26 N 0.13 6.67 -0.03 2.29 1.01 0.19 -0.04 116.67 126.88 1q5h s ASP 26 Ca 0.26 2.65 0.02 0.00 0.71 0.00 0.00 52.55 56.19 1q5h s ASP 26 Cb -0.16 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.12 1q5h s ASP 26 CO 0.11 -0.68 -0.07 -0.76 0.21 0.00 0.00 175.17 173.98 1q5h s LEU 27 N -0.43 3.17 0.02 1.23 1.43 -0.49 -3.28 118.68 120.33 1q5h s LEU 27 Ca 0.59 -0.08 0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1q5h s LEU 27 Cb -0.41 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1q5h s LEU 27 CO 0.43 0.32 -0.24 -0.31 0.23 0.00 0.00 176.35 176.79 1q5h s TYR 28 N -0.91 2.14 0.31 0.29 2.02 -1.26 -1.42 117.35 118.51 1q5h s TYR 28 Ca 0.15 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.16 1q5h s TYR 28 Cb -0.11 -1.31 -0.10 0.00 -0.40 0.00 0.00 41.96 40.04 1q5h s TYR 28 CO 0.05 0.06 1.15 0.45 -1.57 0.00 0.00 175.55 175.69 1q5h s SER 29 N -0.98 7.06 0.00 2.29 0.15 -0.49 -4.47 113.70 117.26 1q5h s SER 29 Ca 0.10 2.37 0.23 0.00 0.70 0.00 0.00 55.95 59.34 1q5h s SER 29 Cb -0.09 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.74 1q5h s SER 29 CO 0.01 -0.30 1.17 0.00 1.20 0.00 0.00 173.24 175.32 1q5h n ALA 30 N 0.94 4.12 -2.22 5.45 0.00 -0.50 -0.69 120.51 127.61 1q5h n ALA 30 Ca -0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 1q5h n ALA 30 Cb 0.44 -0.95 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.00 1.20 0.12 0.00 1.51 -1.26 -4.77 117.35 111.14 1q5h s TYR 31 Ca 0.10 -1.28 -0.23 0.00 -1.01 0.00 0.00 57.07 54.64 1q5h s TYR 31 Cb 0.17 -0.63 -0.07 0.00 -0.11 0.00 0.00 41.96 41.31 1q5h s TYR 31 CO 0.78 -0.52 0.71 -0.51 -1.11 0.00 0.00 175.55 174.90 1q5h s ASP 32 N -3.18 7.26 -0.00 2.29 -0.00 -1.26 -2.81 116.67 118.97 1q5h s ASP 32 Ca 0.35 1.49 -0.00 0.00 -0.00 0.00 0.00 52.55 54.39 1q5h s ASP 32 Cb 0.07 -2.45 0.00 0.00 -0.00 0.00 0.00 42.92 40.55 1q5h s ASP 32 CO 0.10 0.20 0.01 -0.31 -0.00 0.00 0.00 175.17 175.17 1q5h s TYR 33 N -0.96 0.00 -0.25 4.23 1.51 0.51 -4.97 117.35 117.42 1q5h s TYR 33 Ca 0.34 0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1q5h s TYR 33 Cb -0.22 -0.04 0.02 0.00 -0.11 0.00 0.00 41.96 41.61 1q5h s TYR 33 CO 0.23 -0.02 -0.03 0.99 -1.11 0.00 0.00 175.55 175.62 1q5h s THR 34 N 0.18 3.17 -0.33 -0.71 2.01 -1.26 0.11 115.64 118.80 1q5h s THR 34 Ca -0.01 -0.87 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 1q5h s THR 34 Cb -0.02 -2.59 0.02 0.00 0.01 0.00 0.00 72.50 69.92 1q5h s THR 34 CO -0.00 0.21 0.14 -0.63 -0.69 0.00 0.00 174.62 173.64 1q5h s ILE 35 N 1.38 4.23 1.03 1.82 1.01 -0.13 -4.97 121.20 125.57 1q5h s ILE 35 Ca 0.02 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.74 1q5h s ILE 35 Cb -0.16 -3.28 0.21 0.00 0.01 0.00 0.00 42.46 39.23 1q5h s ILE 35 CO -0.03 -0.08 1.07 -2.84 0.00 0.00 0.00 174.94 173.06 1q5h s PRO 36 N 1.51 0.16 0.33 2.79 0.02 -1.26 -0.74 135.00 137.80 1q5h s PRO 36 Ca 0.02 0.78 -0.29 0.00 0.02 0.00 0.00 61.00 61.53 1q5h s PRO 36 Cb -0.18 -1.68 -0.12 0.00 0.02 0.00 0.00 34.50 32.53 1q5h s PRO 36 CO 0.05 -2.98 1.40 -2.30 -0.33 0.00 0.00 177.00 172.83 1q5h n PRO 37 N -4.39 2.33 -3.76 5.54 -0.02 -1.26 -2.86 135.00 130.58 1q5h n PRO 37 Ca 0.05 0.82 -0.25 0.00 -2.02 0.00 0.00 63.50 62.10 1q5h n PRO 37 Cb 0.55 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.60 1q5h n PRO 37 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1q5h n MET 38 N 0.95 -5.65 -4.30 -0.52 2.81 0.36 -4.99 117.12 105.78 1q5h n MET 38 Ca 0.05 0.65 -0.16 0.00 -1.81 0.00 0.00 57.70 56.44 1q5h n MET 38 Cb 0.36 -5.44 -0.10 0.00 -0.71 0.00 0.00 33.22 27.33 1q5h n MET 38 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1q5h s GLU 39 N -6.24 1.34 0.21 0.03 0.41 -1.13 -4.98 118.70 108.33 1q5h s GLU 39 Ca 0.34 -1.71 0.07 0.00 -0.41 0.00 0.00 54.97 53.27 1q5h s GLU 39 Cb -0.17 -0.28 -0.05 0.00 -1.78 0.00 0.00 34.13 31.86 1q5h s GLU 39 CO 0.80 -0.25 -0.13 -1.59 -0.49 0.00 0.00 175.26 173.60 1q5h s LYS 40 N -4.00 1.34 -0.05 1.61 -2.85 -1.26 -0.81 119.74 113.72 1q5h s LYS 40 Ca 0.34 -1.60 -0.11 0.00 -1.00 0.00 0.00 55.97 53.60 1q5h s LYS 40 Cb 0.07 -1.09 0.02 0.00 -2.06 0.00 0.00 37.83 34.78 1q5h s LYS 40 CO 0.11 0.16 0.26 0.00 0.10 0.00 0.00 175.35 175.98 1q5h s ALA 41 N -3.00 -0.63 -0.38 0.59 0.00 -0.80 -4.98 121.76 112.54 1q5h s ALA 41 Ca 0.23 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1q5h s ALA 41 Cb -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1q5h s ALA 41 CO 0.07 -0.19 0.46 0.08 0.00 0.00 0.00 175.76 176.19 1q5h s VAL 42 N -0.64 5.06 -0.30 0.00 1.01 -1.26 -1.27 120.40 122.99 1q5h s VAL 42 Ca -0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1q5h s VAL 42 Cb -0.04 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1q5h s VAL 42 CO 0.02 -0.31 0.34 -0.69 0.00 0.00 0.00 175.10 174.46 1q5h s VAL 43 N 2.26 5.19 0.10 2.92 1.01 1.00 -4.91 120.40 127.98 1q5h s VAL 43 Ca 0.15 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.13 1q5h s VAL 43 Cb -0.16 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1q5h s VAL 43 CO 0.14 0.07 0.90 -0.54 0.00 0.00 0.00 175.10 175.66 1q5h s LYS 44 N 2.00 4.65 0.11 2.72 1.02 -1.26 -0.64 119.74 128.34 1q5h s LYS 44 Ca 0.12 1.34 0.21 0.00 0.02 0.00 0.00 55.97 57.66 1q5h s LYS 44 Cb -0.16 -3.36 -0.11 0.00 -0.52 0.00 0.00 37.83 33.67 1q5h s LYS 44 CO 0.11 0.27 0.84 0.25 -0.92 0.00 0.00 175.35 175.89 1q5h n THR 45 N 2.66 0.60 -3.03 2.17 -2.24 -0.99 -1.41 114.28 112.05 1q5h n THR 45 Ca 0.00 -0.57 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 1q5h n THR 45 Cb 0.49 -0.33 0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.62 -5.93 -4.26 3.42 9.92 -1.26 -4.40 116.55 111.42 1q5h n ASP 46 Ca -0.04 -0.28 -0.26 0.00 -0.53 0.00 0.00 54.79 53.68 1q5h n ASP 46 Cb 0.63 -4.80 -0.14 0.00 -0.64 0.00 0.00 41.12 36.16 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 -3.15 1.74 -0.01 0.53 -4.36 -1.26 -0.12 121.20 114.55 1q5h s ILE 47 Ca 0.30 -1.24 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 1q5h s ILE 47 Cb -0.14 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 1q5h s ILE 47 CO 0.37 0.22 -0.03 0.00 0.24 0.00 0.00 174.94 175.75 1q5h s GLN 48 N -1.21 2.73 0.17 0.37 -2.07 -0.69 -1.56 119.66 117.41 1q5h s GLN 48 Ca 0.08 -0.62 0.09 0.00 -1.82 0.00 0.00 55.36 53.09 1q5h s GLN 48 Cb -0.09 -2.62 -0.04 0.00 -1.09 0.00 0.00 33.01 29.17 1q5h s GLN 48 CO 0.02 0.63 -0.18 0.96 -1.32 0.00 0.00 175.29 175.39 1q5h s ILE 49 N -1.02 1.86 -0.32 3.63 -4.36 -1.26 -1.54 121.20 118.19 1q5h s ILE 49 Ca 0.18 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.63 1q5h s ILE 49 Cb -0.11 -1.89 0.10 0.00 1.25 0.00 0.00 42.46 41.80 1q5h s ILE 49 CO 0.08 -0.33 0.04 0.00 0.24 0.00 0.00 174.94 174.97 1q5h s ALA 50 N -2.12 2.53 0.48 2.27 0.00 0.16 -4.61 121.76 120.47 1q5h s ALA 50 Ca 0.17 -2.23 -0.22 0.00 0.00 0.00 0.00 51.96 49.68 1q5h s ALA 50 Cb -0.05 -1.84 -0.07 0.00 0.00 0.00 0.00 23.12 21.16 1q5h s ALA 50 CO 0.07 -1.62 1.18 -0.51 0.00 0.00 0.00 175.76 174.88 1q5h s LEU 51 N 1.10 3.95 0.67 0.00 1.43 -1.26 -2.93 118.68 121.63 1q5h s LEU 51 Ca 0.08 2.33 -0.16 0.00 -1.03 0.00 0.00 54.13 55.35 1q5h s LEU 51 Cb -0.19 -4.31 0.01 0.00 0.03 0.00 0.00 46.19 41.73 1q5h s LEU 51 CO -0.11 -1.05 1.20 -2.84 0.23 0.00 0.00 176.35 173.78 1q5h s PRO 52 N -2.82 2.52 0.37 1.29 0.02 -1.26 -4.95 135.00 130.17 1q5h s PRO 52 Ca 0.66 1.75 -0.28 0.00 0.02 0.00 0.00 61.00 63.15 1q5h s PRO 52 Cb -0.29 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 1q5h s PRO 52 CO 0.35 -1.54 1.44 0.45 -0.33 0.00 0.00 177.00 177.37 1q5h n SER 53 N -2.26 3.55 0.00 2.53 2.88 -1.26 -3.55 113.62 115.51 1q5h n SER 53 Ca 0.13 1.22 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1q5h n SER 53 Cb 0.50 -1.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1q5h n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1q5h n GLY 54 N 0.60 0.66 3.47 0.46 0.00 -1.26 -5.06 105.19 104.06 1q5h n GLY 54 Ca 0.02 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.04 1.95 -0.35 0.00 1.13 -0.81 -4.32 117.35 110.90 1q5h s TYR 56 Ca 0.26 -0.80 -0.12 0.00 -1.41 0.00 0.00 57.07 55.00 1q5h s TYR 56 Cb 0.02 -1.19 -0.00 0.00 -1.10 0.00 0.00 41.96 39.69 1q5h s TYR 56 CO 0.09 0.18 0.23 0.20 -2.51 0.00 0.00 175.55 173.73 1q5h s GLY 57 N -3.46 1.95 -0.24 5.49 0.00 -0.49 -1.64 107.32 108.93 1q5h s GLY 57 Ca 0.32 -1.49 -0.17 0.00 0.00 0.00 0.00 44.72 43.37 1q5h s GLY 57 CO 0.13 0.80 0.48 -1.60 0.00 0.00 0.00 173.10 172.90 1q5h s ARG 58 N 1.67 4.10 -0.26 2.90 3.52 0.19 -1.18 118.95 129.90 1q5h s ARG 58 Ca 0.05 0.28 -0.29 0.00 -0.13 0.00 0.00 55.73 55.63 1q5h s ARG 58 Cb -0.18 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1q5h s ARG 58 CO 0.09 -0.26 1.22 0.08 -0.81 0.00 0.00 175.30 175.62 1q5h s VAL 59 N 2.00 4.31 0.19 7.11 1.01 0.06 -1.02 120.40 134.06 1q5h s VAL 59 Ca 0.20 1.53 0.11 0.00 0.00 0.00 0.00 61.98 63.82 1q5h s VAL 59 Cb -0.15 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 1q5h s VAL 59 CO 0.09 -0.34 -0.20 0.00 0.00 0.00 0.00 175.10 174.64 1q5h s ALA 60 N 3.86 2.64 0.53 5.51 0.00 0.56 -4.70 121.76 130.16 1q5h s ALA 60 Ca 0.52 -1.61 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 1q5h s ALA 60 Cb -0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 1q5h s ALA 60 CO 0.17 0.43 1.13 -1.25 0.00 0.00 0.00 175.76 176.24 1q5h s PRO 61 N -2.74 3.43 0.36 0.00 0.04 -1.26 -1.27 135.00 133.56 1q5h s PRO 61 Ca 0.22 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 1q5h s PRO 61 Cb -0.08 -2.05 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1q5h s PRO 61 CO 0.11 -0.79 1.11 1.03 0.04 0.00 0.00 177.00 178.50 1q5h s ARG 62 N -3.22 4.29 -0.02 4.56 1.81 -1.26 -4.73 118.95 120.38 1q5h s ARG 62 Ca 0.71 1.73 -0.26 0.00 -1.72 0.00 0.00 55.73 56.20 1q5h s ARG 62 Cb -0.24 -2.82 -0.20 0.00 -0.45 0.00 0.00 34.95 31.25 1q5h s ARG 62 CO 0.27 -0.08 1.24 0.77 -0.68 0.00 0.00 175.30 176.82 1q5h h SER 63 N 3.01 -0.03 -0.63 0.23 0.02 -1.98 -3.03 113.55 111.14 1q5h h SER 63 Ca -0.48 -0.46 0.04 0.00 -0.84 0.00 0.00 61.79 60.05 1q5h h SER 63 Cb 1.22 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.72 1q5h h SER 63 CO 0.64 0.45 0.37 1.23 -1.14 0.00 0.00 176.83 178.38 1q5h h GLY 64 N -0.53 0.90 1.01 -3.77 0.00 -1.99 -1.95 103.07 96.75 1q5h h GLY 64 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.06 1q5h h GLY 64 CO 0.01 0.21 0.63 1.41 0.00 0.00 0.00 176.54 178.80 1q5h h LEU 65 N 0.71 1.13 0.00 3.11 3.38 -1.92 -0.51 115.31 121.21 1q5h h LEU 65 Ca 0.26 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1q5h h LEU 65 Cb 0.08 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1q5h h LEU 65 CO -0.13 0.83 -0.00 0.00 0.09 0.00 0.00 178.44 179.23 1q5h h ALA 66 N 1.35 -0.00 -0.21 1.53 0.00 -1.36 -1.65 119.26 118.92 1q5h h ALA 66 Ca 0.36 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.95 1q5h h ALA 66 Cb -0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1q5h h ALA 66 CO -0.07 -0.36 -0.58 0.00 0.00 0.00 0.00 179.25 178.24 1q5h h ALA 67 N 0.72 0.58 0.03 0.00 0.00 -1.17 -2.18 119.26 117.25 1q5h h ALA 67 Ca -0.00 -0.53 -0.33 0.00 0.00 0.00 0.00 54.91 54.05 1q5h h ALA 67 Cb 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1q5h h ALA 67 CO 0.00 0.69 -1.99 1.63 0.00 0.00 0.00 179.25 179.59 1q5h n LYS 68 N -3.97 0.68 0.00 0.00 5.02 -0.22 -4.65 118.16 115.03 1q5h n LYS 68 Ca -0.04 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1q5h n LYS 68 Cb 0.63 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.11 0.00 -3.03 2.13 8.25 -0.66 -5.01 115.22 113.79 1q5h n HIS 69 Ca -0.26 -0.03 -0.19 0.00 -0.26 0.00 0.00 57.72 56.98 1q5h n HIS 69 Cb 1.07 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 32.21 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 -0.03 -1.84 -3.42 4.41 -0.00 -0.82 -4.28 117.46 111.48 1q5h n PHE 70 Ca 0.00 0.55 -0.38 0.00 -0.00 0.00 0.00 57.45 57.62 1q5h n PHE 70 Cb 0.05 -4.04 -0.06 0.00 -0.00 0.00 0.00 39.48 35.43 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 -3.12 5.16 0.21 -2.13 -1.09 -0.98 -1.93 121.20 117.32 1q5h s ILE 71 Ca 0.32 0.84 0.05 0.00 -2.23 0.00 0.00 60.65 59.62 1q5h s ILE 71 Cb -0.14 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 36.94 1q5h s ILE 71 CO 0.39 0.42 -0.06 -0.62 -1.23 0.00 0.00 174.94 173.84 1q5h s ASP 72 N 0.03 2.12 -0.20 3.58 3.68 -0.59 -3.61 116.67 121.68 1q5h s ASP 72 Ca 0.23 -1.13 -0.03 0.00 2.13 0.00 0.00 52.55 53.76 1q5h s ASP 72 Cb -0.15 -0.05 -0.01 0.00 -1.45 0.00 0.00 42.92 41.26 1q5h s ASP 72 CO 0.10 -0.37 -0.07 -0.69 0.13 0.00 0.00 175.17 174.27 1q5h s VAL 73 N -3.24 3.27 0.70 1.11 1.01 -1.26 -0.42 120.40 121.57 1q5h s VAL 73 Ca 0.24 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 1q5h s VAL 73 Cb 0.03 -2.46 0.12 0.00 0.00 0.00 0.00 36.38 34.07 1q5h s VAL 73 CO 0.07 0.45 0.97 -0.83 0.00 0.00 0.00 175.10 175.76 1q5h s GLY 74 N 1.18 1.76 0.00 4.51 0.00 0.52 -4.92 107.32 110.37 1q5h s GLY 74 Ca 0.02 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1q5h s GLY 74 CO -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 173.10 171.92 1q5h n ALA 75 N -2.78 0.00 0.00 3.20 0.00 -1.26 -4.41 120.51 115.27 1q5h n ALA 75 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1q5h n ALA 75 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.57 3.42 0.00 0.00 -1.26 -4.96 105.19 102.97 1q5h n GLY 76 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 5.03 -0.39 1.61 1.01 -1.26 -0.76 120.40 123.64 1q5h s VAL 77 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 1q5h s VAL 77 Cb 0.00 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.18 1q5h s VAL 77 CO 0.00 -0.70 0.28 -0.63 0.00 0.00 0.00 175.10 174.05 1q5h s ILE 78 N 2.20 5.13 0.52 2.22 1.01 -0.32 -5.00 121.20 126.96 1q5h s ILE 78 Ca 0.10 -0.64 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 1q5h s ILE 78 Cb -0.21 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1q5h s ILE 78 CO 0.10 -0.26 1.20 -1.81 0.00 0.00 0.00 174.94 174.16 1q5h s ASP 79 N 1.66 5.73 0.50 3.58 1.11 -1.26 -1.40 116.67 126.59 1q5h s ASP 79 Ca 0.05 2.37 0.25 0.00 0.18 0.00 0.00 52.55 55.39 1q5h s ASP 79 Cb -0.19 -2.60 1.33 0.00 1.07 0.00 0.00 42.92 42.53 1q5h s ASP 79 CO 0.09 -1.23 1.93 -0.08 1.18 0.00 0.00 175.17 177.07 1q5h h GLU 80 N 1.53 0.12 -0.70 8.23 4.81 -1.96 -1.73 114.58 124.87 1q5h h GLU 80 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1q5h h GLU 80 Cb 1.27 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1q5h h GLU 80 CO 0.58 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.54 1q5h n ASP 81 N -4.38 4.44 -4.69 1.04 5.75 -1.26 -4.33 116.55 113.12 1q5h n ASP 81 Ca 0.15 -2.25 -0.42 0.00 -0.01 0.00 0.00 54.79 52.26 1q5h n ASP 81 Cb 0.73 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1q5h n ASP 81 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1q5h s TYR 82 N -1.47 3.43 -0.03 2.11 5.04 -0.65 -4.92 117.35 120.85 1q5h s TYR 82 Ca 0.51 1.48 0.05 0.00 -2.44 0.00 0.00 57.07 56.67 1q5h s TYR 82 Cb 0.30 -3.26 0.08 0.00 0.35 0.00 0.00 41.96 39.42 1q5h s TYR 82 CO 0.29 -0.59 1.03 0.54 -1.34 0.00 0.00 175.55 175.48 1q5h n ARG 83 N 4.82 2.50 -1.22 4.97 5.12 -1.26 -4.63 116.66 126.97 1q5h n ARG 83 Ca 0.09 -1.77 -0.09 0.00 -1.93 0.00 0.00 57.85 54.15 1q5h n ARG 83 Cb 0.48 -1.12 0.05 0.00 -1.16 0.00 0.00 32.46 30.71 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 -0.74 0.26 3.68 -0.13 0.00 -1.26 -4.79 105.19 102.22 1q5h n GLY 84 Ca 0.04 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.63 6.72 -0.22 1.61 3.84 -1.26 -4.28 114.94 118.72 1q5h s ASN 85 Ca 0.26 2.27 -0.29 0.00 0.21 0.00 0.00 52.86 55.31 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 0.18 -0.83 1.35 -0.69 -2.79 0.00 0.00 177.10 174.32 1q5h s VAL 86 N 2.84 4.10 -0.02 -5.21 1.01 -0.60 -4.97 120.40 117.55 1q5h s VAL 86 Ca 0.69 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.96 1q5h s VAL 86 Cb -0.35 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1q5h s VAL 86 CO 0.29 -0.29 0.05 -0.83 0.00 0.00 0.00 175.10 174.31 1q5h s GLY 87 N 2.71 1.95 -0.20 4.51 0.00 -1.26 -2.35 107.32 112.68 1q5h s GLY 87 Ca 0.59 -0.87 -0.03 0.00 0.00 0.00 0.00 44.72 44.41 1q5h s GLY 87 CO 0.21 -0.72 -0.06 0.14 0.00 0.00 0.00 173.10 172.67 1q5h s VAL 88 N -1.10 3.32 -0.48 1.40 1.01 0.19 -4.94 120.40 119.81 1q5h s VAL 88 Ca 0.20 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 1q5h s VAL 88 Cb -0.12 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.81 1q5h s VAL 88 CO 0.10 0.45 0.70 -0.69 0.00 0.00 0.00 175.10 175.66 1q5h s VAL 89 N 1.17 4.75 -0.17 2.92 1.01 -1.26 -0.00 120.40 128.83 1q5h s VAL 89 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 1q5h s VAL 89 Cb -0.14 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1q5h s VAL 89 CO -0.01 -0.75 0.11 -0.76 0.00 0.00 0.00 175.10 173.69 1q5h s LEU 90 N 2.99 4.14 -0.18 3.92 1.43 -0.40 -0.36 118.68 130.23 1q5h s LEU 90 Ca 0.22 0.26 -0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1q5h s LEU 90 Cb -0.15 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 1q5h s LEU 90 CO 0.17 0.26 -0.01 -0.36 0.23 0.00 0.00 176.35 176.64 1q5h s PHE 91 N -0.11 3.06 -0.48 0.29 2.99 0.44 -1.91 117.98 122.27 1q5h s PHE 91 Ca 0.09 -0.30 -0.11 0.00 0.00 0.00 0.00 56.93 56.61 1q5h s PHE 91 Cb -0.12 -2.02 0.11 0.00 0.00 0.00 0.00 43.02 41.00 1q5h s PHE 91 CO 0.00 -0.08 0.37 1.21 -0.00 0.00 0.00 175.22 176.72 1q5h s ASN 92 N 0.60 5.82 0.00 1.36 2.47 0.01 -1.54 114.94 123.66 1q5h s ASN 92 Ca -0.01 -1.81 0.28 0.00 0.42 0.00 0.00 52.86 51.73 1q5h s ASN 92 Cb -0.14 -2.06 1.00 0.00 -1.45 0.00 0.00 41.25 38.60 1q5h s ASN 92 CO 0.02 -0.71 1.71 0.49 -3.72 0.00 0.00 177.10 174.90 1q5h n PHE 93 N 5.00 0.00 -1.42 0.43 3.72 -0.81 -0.49 117.46 123.88 1q5h n PHE 93 Ca -0.10 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.01 1q5h n PHE 93 Cb 0.41 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.11 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 -2.02 1.60 0.00 1.37 0.00 -1.25 -4.68 107.32 102.33 1q5h s GLY 94 Ca 0.37 -0.66 0.25 0.00 0.00 0.00 0.00 44.72 44.68 1q5h s GLY 94 CO 0.34 -0.00 1.43 0.28 0.00 0.00 0.00 173.10 175.15 1q5h n LYS 95 N -4.04 1.81 -4.37 2.90 5.02 -1.26 -3.64 118.16 114.58 1q5h n LYS 95 Ca 0.08 -1.34 -0.28 0.00 -2.02 0.00 0.00 58.31 54.76 1q5h n LYS 95 Cb 0.59 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 34.01 1q5h n LYS 95 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1q5h s GLU 96 N -2.11 1.67 0.53 1.97 0.41 -1.26 -4.81 118.70 115.10 1q5h s GLU 96 Ca 0.30 -1.39 -0.22 0.00 -0.41 0.00 0.00 54.97 53.25 1q5h s GLU 96 Cb 0.20 -1.97 -0.05 0.00 -1.78 0.00 0.00 34.13 30.53 1q5h s GLU 96 CO 0.37 0.43 1.29 -1.59 -0.49 0.00 0.00 175.26 175.27 1q5h s LYS 97 N -2.54 3.25 -0.16 1.61 -2.85 -1.26 -4.28 119.74 113.51 1q5h s LYS 97 Ca 0.20 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.25 1q5h s LYS 97 Cb -0.09 -2.24 -0.00 0.00 -2.06 0.00 0.00 37.83 33.44 1q5h s LYS 97 CO 0.11 -1.05 -0.15 0.12 0.10 0.00 0.00 175.35 174.47 1q5h s PHE 98 N -1.40 2.79 -0.23 1.78 2.19 0.08 -4.97 117.98 118.21 1q5h s PHE 98 Ca 0.71 -1.06 -0.13 0.00 0.33 0.00 0.00 56.93 56.77 1q5h s PHE 98 Cb -0.36 -1.90 -0.04 0.00 -1.31 0.00 0.00 43.02 39.41 1q5h s PHE 98 CO 0.43 -0.49 0.28 -1.21 1.83 0.00 0.00 175.22 176.05 1q5h s GLU 99 N 0.86 4.09 -0.17 10.12 0.41 -1.26 -0.96 118.70 131.79 1q5h s GLU 99 Ca -0.04 -0.06 -0.05 0.00 -0.41 0.00 0.00 54.97 54.41 1q5h s GLU 99 Cb -0.15 -3.56 -0.03 0.00 -1.78 0.00 0.00 34.13 28.61 1q5h s GLU 99 CO -0.01 -0.03 -0.01 0.08 -0.49 0.00 0.00 175.26 174.80 1q5h s VAL 100 N 1.33 4.13 0.10 2.63 1.01 0.12 -5.00 120.40 124.72 1q5h s VAL 100 Ca 0.13 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1q5h s VAL 100 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1q5h s VAL 100 CO 0.07 0.47 -0.07 -0.54 0.00 0.00 0.00 175.10 175.03 1q5h s LYS 101 N 0.47 2.24 0.00 2.72 -0.14 -1.26 -0.36 119.74 123.40 1q5h s LYS 101 Ca -0.01 -0.99 -0.37 0.00 -1.36 0.00 0.00 55.97 53.24 1q5h s LYS 101 Cb -0.14 -2.36 -0.16 0.00 -1.68 0.00 0.00 37.83 33.49 1q5h s LYS 101 CO 0.02 0.51 1.47 1.17 -0.76 0.00 0.00 175.35 177.76 1q5h n LYS 102 N 0.63 1.26 0.00 1.68 4.81 -1.12 -1.35 118.16 124.06 1q5h n LYS 102 Ca -0.13 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1q5h n LYS 102 Cb 0.52 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 3.04 0.68 3.76 3.14 0.00 0.13 -4.97 105.19 110.98 1q5h n GLY 103 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.30 6.99 -0.25 1.61 1.01 -0.45 -4.75 116.67 118.53 1q5h s ASP 104 Ca 0.00 2.47 -0.28 0.00 0.71 0.00 0.00 52.55 55.46 1q5h s ASP 104 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 1q5h s ASP 104 CO 0.00 -0.36 0.99 -0.13 0.21 0.00 0.00 175.17 175.88 1q5h s ARG 105 N -1.66 4.21 0.00 8.23 0.52 -1.26 -1.40 118.95 127.59 1q5h s ARG 105 Ca 0.47 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.88 1q5h s ARG 105 Cb -0.36 -3.66 0.00 0.00 0.52 0.00 0.00 34.95 31.46 1q5h s ARG 105 CO 0.47 -0.64 0.12 0.44 0.02 0.00 0.00 175.30 175.70 1q5h n ILE 106 N 5.38 0.00 -3.86 1.52 -6.64 -0.51 -4.99 119.36 110.26 1q5h n ILE 106 Ca 0.10 -0.50 -0.02 0.00 -1.77 0.00 0.00 62.75 60.57 1q5h n ILE 106 Cb 0.47 1.00 0.02 0.00 -1.44 0.00 0.00 39.64 39.68 1q5h n ILE 106 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1q5h n ALA 107 N -0.76 -2.45 -2.79 -1.28 0.00 -1.23 -4.56 120.51 107.44 1q5h n ALA 107 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1q5h n ALA 107 Cb 0.00 0.42 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 1q5h n ALA 107 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1q5h s GLN 108 N -2.04 0.53 -0.21 0.00 -2.07 -0.39 -1.40 119.66 114.08 1q5h s GLN 108 Ca 0.21 -0.80 -0.05 0.00 -1.82 0.00 0.00 55.36 52.90 1q5h s GLN 108 Cb -0.02 -0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 31.66 1q5h s GLN 108 CO 0.04 0.03 -0.01 -1.17 -1.32 0.00 0.00 175.29 172.85 1q5h s LEU 109 N -1.73 3.17 -0.11 2.60 2.96 0.94 -0.32 118.68 126.18 1q5h s LEU 109 Ca -0.08 -0.25 -0.00 0.00 -0.22 0.00 0.00 54.13 53.58 1q5h s LEU 109 Cb -0.08 -1.80 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1q5h s LEU 109 CO -0.01 0.04 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 1q5h s ILE 110 N 1.12 3.35 -0.90 6.68 1.01 -0.19 -0.87 121.20 131.41 1q5h s ILE 110 Ca 0.02 -0.57 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 1q5h s ILE 110 Cb -0.14 -2.40 0.11 0.00 0.01 0.00 0.00 42.46 40.03 1q5h s ILE 110 CO 0.01 0.54 1.15 0.00 0.00 0.00 0.00 174.94 176.64 1q5h s GLU 112 N 3.28 4.34 0.05 0.00 0.41 -0.65 -4.90 118.70 121.24 1q5h s GLU 112 Ca 0.33 1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 55.72 1q5h s GLU 112 Cb -0.06 -3.56 -0.05 0.00 -1.78 0.00 0.00 34.13 28.68 1q5h s GLU 112 CO -0.06 -0.31 1.14 1.03 -0.49 0.00 0.00 175.26 176.57 1q5h s ARG 113 N 2.05 4.47 0.14 1.61 0.52 -1.26 -1.92 118.95 124.56 1q5h s ARG 113 Ca 0.41 1.69 0.02 0.00 -0.52 0.00 0.00 55.73 57.33 1q5h s ARG 113 Cb -0.17 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1q5h s ARG 113 CO 0.14 -0.19 -0.02 0.96 0.02 0.00 0.00 175.30 176.21 1q5h s ILE 114 N 0.97 0.65 0.25 1.52 -4.36 -1.18 -4.99 121.20 114.05 1q5h s ILE 114 Ca 0.57 -1.96 -0.02 0.00 -0.26 0.00 0.00 60.65 58.98 1q5h s ILE 114 Cb -0.27 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.47 1q5h s ILE 114 CO 0.29 -0.65 0.46 -0.36 0.24 0.00 0.00 174.94 174.93 1q5h s PHE 115 N -3.67 3.48 -0.63 1.37 2.99 -1.26 -4.74 117.98 115.53 1q5h s PHE 115 Ca 0.19 0.43 0.06 0.00 0.00 0.00 0.00 56.93 57.61 1q5h s PHE 115 Cb 0.06 -1.93 0.27 0.00 0.00 0.00 0.00 43.02 41.42 1q5h s PHE 115 CO 0.00 0.28 0.81 0.66 -0.00 0.00 0.00 175.22 176.97 1q5h n TYR 116 N -0.89 3.76 -2.15 0.36 4.01 -1.26 -5.11 117.16 115.88 1q5h n TYR 116 Ca -0.04 -4.10 -0.34 0.00 -0.16 0.00 0.00 57.90 53.26 1q5h n TYR 116 Cb 0.54 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -2.75 3.34 0.37 -0.72 0.04 -1.26 -5.02 135.00 129.00 1q5h s PRO 117 Ca 0.42 1.36 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 1q5h s PRO 117 Cb 0.18 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1q5h s PRO 117 CO -0.04 -0.81 1.02 -2.00 0.04 0.00 0.00 177.00 175.21 1q5h s GLU 118 N -3.72 4.32 -0.14 4.56 2.56 -1.26 -5.05 118.70 119.97 1q5h s GLU 118 Ca 0.67 1.47 -0.10 0.00 0.00 0.00 0.00 54.97 57.01 1q5h s GLU 118 Cb -0.18 -2.65 -0.05 0.00 2.00 0.00 0.00 34.13 33.25 1q5h s GLU 118 CO 0.32 0.01 0.18 -1.50 -0.56 0.00 0.00 175.26 173.71 1q5h s ILE 119 N -1.62 5.40 -0.08 -3.70 2.07 -1.26 -5.09 121.20 116.92 1q5h s ILE 119 Ca 0.55 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 60.10 1q5h s ILE 119 Cb -0.21 -3.48 0.02 0.00 0.13 0.00 0.00 42.46 38.91 1q5h s ILE 119 CO 0.27 0.52 -0.06 -0.70 -1.91 0.00 0.00 174.94 173.06 1q5h s GLU 120 N -0.34 1.21 0.04 3.50 2.12 -1.26 -5.13 118.70 118.85 1q5h s GLU 120 Ca 0.14 -0.18 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 1q5h s GLU 120 Cb -0.12 -1.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.98 1q5h s GLU 120 CO 0.03 -0.17 0.96 -2.00 -0.54 0.00 0.00 175.26 173.54 1q5h s GLU 121 N 1.37 4.61 0.26 4.30 2.12 -1.26 -5.06 118.70 125.03 1q5h s GLU 121 Ca -0.03 1.42 0.08 0.00 0.36 0.00 0.00 54.97 56.80 1q5h s GLU 121 Cb -0.14 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1q5h s GLU 121 CO -0.03 0.06 -0.11 0.14 -0.54 0.00 0.00 175.26 174.78 1q5h s VAL 122 N 0.59 1.81 0.18 3.70 -7.23 -1.26 -5.06 120.40 113.12 1q5h s VAL 122 Ca 0.50 -2.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1q5h s VAL 122 Cb -0.22 -2.32 0.08 0.00 0.56 0.00 0.00 36.38 34.49 1q5h s VAL 122 CO 0.28 -0.40 1.72 -0.61 -0.31 0.00 0.00 175.10 175.78 1q5h h GLN 123 N 2.35 0.94 -2.09 4.82 -0.00 -2.10 -3.46 115.11 115.57 1q5h h GLN 123 Ca -0.39 -0.19 0.01 0.00 -0.00 0.00 0.00 58.65 58.08 1q5h h GLN 123 Cb 1.23 -0.14 -0.18 0.00 0.00 0.00 0.00 27.48 28.39 1q5h h GLN 123 CO 0.65 0.82 0.34 0.00 0.00 0.00 0.00 178.83 180.65 1q5h s ALA 124 N -5.46 -1.80 0.33 3.38 0.00 -1.26 -5.18 121.76 111.77 1q5h s ALA 124 Ca -0.13 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1q5h s ALA 124 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1q5h s ALA 124 CO 0.81 -0.47 0.46 -0.51 0.00 0.00 0.00 175.76 176.05 1q5h s LEU 125 N -1.65 4.01 0.24 0.00 1.43 -1.26 -5.11 118.68 116.34 1q5h s LEU 125 Ca -0.04 -0.15 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1q5h s LEU 125 Cb -0.00 -2.78 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 1q5h s LEU 125 CO 0.01 -0.40 0.57 -0.62 0.23 0.00 0.00 176.35 176.14 1q5h s ASP 126 N -4.15 6.65 0.48 2.29 2.15 -1.26 -5.06 116.67 117.77 1q5h s ASP 126 Ca 0.44 0.97 -0.22 0.00 0.43 0.00 0.00 52.55 54.18 1q5h s ASP 126 Cb -0.09 -2.25 -0.07 0.00 -0.30 0.00 0.00 42.92 40.20 1q5h s ASP 126 CO 0.31 -0.08 1.12 -1.81 -0.17 0.00 0.00 175.17 174.53 1q5h s ASP 127 N -2.32 6.15 0.53 -0.34 1.01 -1.26 -5.08 116.67 115.36 1q5h s ASP 127 Ca 0.48 2.17 0.02 0.00 0.71 0.00 0.00 52.55 55.92 1q5h s ASP 127 Cb -0.11 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.24 1q5h s ASP 127 CO 0.21 -0.92 0.10 0.42 0.21 0.00 0.00 175.17 175.19 1q5h s THR 128 N -1.70 1.17 0.23 -1.27 -4.23 -1.26 -5.02 115.64 103.56 1q5h s THR 128 Ca 0.66 -1.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.29 1q5h s THR 128 Cb -0.24 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.55 1q5h s THR 128 CO 0.29 0.00 1.60 -0.33 -0.54 0.00 0.00 174.62 175.64 1q5h h GLU 129 N 1.14 0.50 -0.11 3.99 4.39 -2.06 -3.13 114.58 119.30 1q5h h GLU 129 Ca -0.42 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.01 1q5h h GLU 129 Cb 1.32 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1q5h h GLU 129 CO 0.69 0.84 0.02 -0.09 -1.16 0.00 0.00 179.01 179.31 1q5h h ARG 130 N 0.41 0.18 0.00 2.33 2.43 -1.97 -3.48 114.38 114.28 1q5h h ARG 130 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1q5h h ARG 130 Cb 0.92 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1q5h h ARG 130 CO 0.08 0.37 0.00 0.41 -1.51 0.00 0.00 179.97 179.31 1q5h n GLY 131 N -0.46 1.74 0.96 2.80 0.00 -1.19 -3.01 105.19 106.02 1q5h n GLY 131 Ca -0.06 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 4.37 2.80 -4.62 1.61 3.41 -1.26 -4.91 113.62 115.02 1q5h n SER 132 Ca 0.00 -1.96 -0.43 0.00 -0.26 0.00 0.00 58.87 56.22 1q5h n SER 132 Cb 0.00 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 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 -1.15 1.13 0.27 5.00 0.00 -1.17 -4.97 107.32 106.43 1q5h s GLY 133 Ca 0.36 0.44 -0.06 0.00 0.00 0.00 0.00 44.72 45.46 1q5h s GLY 133 CO 0.26 3.07 0.38 -0.32 0.00 0.00 0.00 173.10 176.48 1q5h s GLY 134 N 4.62 1.13 -1.25 0.20 0.00 -1.26 -4.98 107.32 105.77 1q5h s GLY 134 Ca 0.73 -1.33 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 1q5h s GLY 134 CO 0.30 -0.98 0.82 0.69 0.00 0.00 0.00 173.10 173.94 1q5h n PHE 135 N -0.41 -2.04 -0.99 1.90 3.01 -1.26 -5.28 117.46 112.38 1q5h n PHE 135 Ca 0.00 0.87 0.00 0.00 1.01 0.00 0.00 57.45 59.33 1q5h n PHE 135 Cb 0.63 -4.61 0.00 0.00 -0.01 0.00 0.00 39.48 35.49 1q5h n PHE 135 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18