#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 1.42 -0.28 3.17 0.74 -1.26 -5.11 119.66 118.34 1q5h s GLN 2 Ca 0.00 -0.26 -0.07 0.00 0.05 0.00 0.00 55.36 55.07 1q5h s GLN 2 Cb 0.00 -1.37 -0.00 0.00 1.10 0.00 0.00 33.01 32.73 1q5h s GLN 2 CO 0.00 -0.14 0.08 -1.17 -0.55 0.00 0.00 175.29 173.51 1q5h s LEU 3 N 1.25 3.74 -0.10 3.68 2.96 -1.26 -3.82 118.68 125.13 1q5h s LEU 3 Ca -0.04 -0.54 -0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1q5h s LEU 3 Cb -0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1q5h s LEU 3 CO -0.03 -0.15 0.09 -0.13 -1.32 0.00 0.00 176.35 174.81 1q5h s ARG 4 N 1.55 3.25 0.05 1.98 0.52 -1.08 -4.98 118.95 120.23 1q5h s ARG 4 Ca 0.04 -0.26 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1q5h s ARG 4 Cb -0.16 -3.02 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1q5h s ARG 4 CO 0.03 0.74 -0.00 -0.59 0.02 0.00 0.00 175.30 175.50 1q5h s PHE 5 N -0.99 0.41 0.03 -0.53 -0.12 -1.26 -0.27 117.98 115.25 1q5h s PHE 5 Ca 0.15 -0.87 0.02 0.00 -0.05 0.00 0.00 56.93 56.18 1q5h s PHE 5 Cb -0.12 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 41.95 1q5h s PHE 5 CO 0.04 -0.35 -0.07 0.00 -0.05 0.00 0.00 175.22 174.79 1q5h s ALA 6 N -3.28 0.52 0.01 1.99 0.00 -0.57 -4.99 121.76 115.43 1q5h s ALA 6 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.07 1q5h s ALA 6 Cb 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.13 1q5h s ALA 6 CO -0.08 -0.01 0.74 1.03 0.00 0.00 0.00 175.76 177.45 1q5h s ARG 7 N -1.30 4.46 0.00 0.00 0.52 -1.26 -1.64 118.95 119.73 1q5h s ARG 7 Ca -0.08 1.00 0.24 0.00 -0.52 0.00 0.00 55.73 56.36 1q5h s ARG 7 Cb -0.08 -3.38 0.26 0.00 0.52 0.00 0.00 34.95 32.26 1q5h s ARG 7 CO 0.00 0.23 1.24 1.28 0.02 0.00 0.00 175.30 178.07 1q5h n LEU 8 N 3.07 1.01 -3.83 2.53 4.77 0.48 -4.96 117.00 120.07 1q5h n LEU 8 Ca -0.02 -0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 55.55 1q5h n LEU 8 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1q5h n LEU 8 CO 0.47 0.22 0.52 -0.94 -1.33 0.00 0.00 177.39 176.33 1q5h s SER 9 N -2.81 -0.12 0.15 -1.43 1.04 -1.26 -5.03 113.70 104.24 1q5h s SER 9 Ca 0.14 -0.87 0.20 0.00 0.48 0.00 0.00 55.95 55.91 1q5h s SER 9 Cb 0.18 0.78 0.84 0.00 0.10 0.00 0.00 66.02 67.91 1q5h s SER 9 CO 0.69 -1.49 1.63 -1.84 0.98 0.00 0.00 173.24 173.21 1q5h n GLU 10 N -0.50 0.12 0.01 4.02 0.00 -1.26 -3.46 120.64 119.56 1q5h n GLU 10 Ca -0.06 0.33 0.12 0.00 0.00 0.00 0.00 57.16 57.55 1q5h n GLU 10 Cb 0.59 -1.71 0.22 0.00 0.00 0.00 0.00 31.44 30.54 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 -1.93 0.08 -2.39 -1.84 8.25 -1.26 -4.94 115.22 111.20 1q5h n HIS 11 Ca 0.03 0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.18 1q5h n HIS 11 Cb 0.22 -0.31 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 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 -3.03 2.81 -0.08 -1.41 0.00 -1.23 -4.53 121.76 114.30 1q5h s ALA 12 Ca 0.10 0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.69 1q5h s ALA 12 Cb 0.17 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1q5h s ALA 12 CO 0.71 -0.50 -0.23 0.99 0.00 0.00 0.00 175.76 176.74 1q5h s THR 13 N -2.06 2.23 0.24 0.00 2.01 -1.26 -5.06 115.64 111.73 1q5h s THR 13 Ca 0.67 -0.98 -0.31 0.00 0.31 0.00 0.00 61.69 61.37 1q5h s THR 13 Cb -0.17 -1.84 -0.12 0.00 0.01 0.00 0.00 72.50 70.37 1q5h s THR 13 CO 0.25 0.56 1.62 0.00 -0.69 0.00 0.00 174.62 176.36 1q5h n ALA 14 N 3.17 2.33 -1.70 7.40 0.00 -1.26 -4.71 120.51 125.74 1q5h n ALA 14 Ca -0.18 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.25 1q5h n ALA 14 Cb 0.52 -2.45 0.01 0.00 0.00 0.00 0.00 19.45 17.53 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 3.02 1.97 -4.42 0.00 -0.02 -1.26 -4.97 135.00 129.32 1q5h n PRO 15 Ca 0.13 0.70 -0.21 0.00 -2.02 0.00 0.00 63.50 62.09 1q5h n PRO 15 Cb 0.34 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.36 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 -1.17 1.96 -0.18 3.45 -4.23 -1.21 -4.90 115.64 109.36 1q5h s THR 16 Ca 0.59 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1q5h s THR 16 Cb -0.52 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1q5h s THR 16 CO 0.59 -0.42 -0.04 -0.60 -0.54 0.00 0.00 174.62 173.61 1q5h s ARG 17 N -3.63 3.55 0.32 3.99 3.52 -1.26 0.22 118.95 125.66 1q5h s ARG 17 Ca 0.27 -0.56 0.10 0.00 -0.13 0.00 0.00 55.73 55.41 1q5h s ARG 17 Cb -0.00 -2.95 0.52 0.00 -1.56 0.00 0.00 34.95 30.95 1q5h s ARG 17 CO 0.11 0.07 1.71 0.78 -0.81 0.00 0.00 175.30 177.17 1q5h h GLY 18 N 7.26 0.07 -1.79 8.12 0.00 -1.95 -3.46 103.07 111.31 1q5h h GLY 18 Ca -0.34 -0.07 -0.23 0.00 0.00 0.00 0.00 47.33 46.69 1q5h h GLY 18 CO 0.61 0.06 -0.19 -1.35 0.00 0.00 0.00 176.54 175.67 1q5h s SER 19 N -6.89 0.70 0.18 0.19 1.04 -1.26 -5.02 113.70 102.64 1q5h s SER 19 Ca -0.03 -1.39 -0.12 0.00 0.48 0.00 0.00 55.95 54.90 1q5h s SER 19 Cb 0.13 0.64 0.09 0.00 0.10 0.00 0.00 66.02 66.99 1q5h s SER 19 CO 0.75 -1.26 1.77 0.00 0.98 0.00 0.00 173.24 175.47 1q5h h ALA 20 N 2.15 0.81 -0.68 5.32 0.00 -2.03 -3.03 119.26 121.80 1q5h h ALA 20 Ca -0.28 -0.14 -0.47 0.00 0.00 0.00 0.00 54.91 54.02 1q5h h ALA 20 Cb 1.24 -0.25 -0.32 0.00 0.00 0.00 0.00 17.79 18.47 1q5h h ALA 20 CO 0.39 0.38 -0.35 0.54 0.00 0.00 0.00 179.25 180.21 1q5h n ARG 21 N -4.50 2.99 -2.06 0.00 5.12 -1.26 -5.02 116.66 111.93 1q5h n ARG 21 Ca 0.04 -3.77 -0.41 0.00 -1.93 0.00 0.00 57.85 51.78 1q5h n ARG 21 Cb 0.13 -2.16 -0.02 0.00 -1.16 0.00 0.00 32.46 29.25 1q5h n ARG 21 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1q5h s ALA 22 N -3.56 3.57 0.36 7.54 0.00 -1.15 -4.92 121.76 123.59 1q5h s ALA 22 Ca 0.52 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.84 1q5h s ALA 22 Cb 0.43 -3.52 0.67 0.00 0.00 0.00 0.00 23.12 20.70 1q5h s ALA 22 CO 0.01 -0.69 1.86 0.00 0.00 0.00 0.00 175.76 176.94 1q5h h ALA 23 N 4.44 1.39 -2.45 0.00 0.00 -1.95 -3.46 119.26 117.22 1q5h h ALA 23 Ca -0.47 -0.25 -0.38 0.00 0.00 0.00 0.00 54.91 53.82 1q5h h ALA 23 Cb 1.22 -0.10 -0.16 0.00 0.00 0.00 0.00 17.79 18.75 1q5h h ALA 23 CO 0.73 0.42 -0.73 0.20 0.00 0.00 0.00 179.25 179.87 1q5h s GLY 24 N -4.04 1.12 -0.10 0.00 0.00 -1.26 -4.46 107.32 98.58 1q5h s GLY 24 Ca -0.06 -1.44 -0.17 0.00 0.00 0.00 0.00 44.72 43.05 1q5h s GLY 24 CO 0.75 -1.53 0.45 -0.19 0.00 0.00 0.00 173.10 172.57 1q5h s TYR 25 N -2.85 3.54 0.23 1.90 1.51 -0.43 -4.47 117.35 116.78 1q5h s TYR 25 Ca 0.15 0.87 -0.31 0.00 -1.01 0.00 0.00 57.07 56.77 1q5h s TYR 25 Cb -0.01 -2.49 -0.11 0.00 -0.11 0.00 0.00 41.96 39.25 1q5h s TYR 25 CO 0.02 0.25 1.56 -0.51 -1.11 0.00 0.00 175.55 175.76 1q5h s ASP 26 N 0.34 6.51 -0.06 2.29 1.01 0.13 -0.22 116.67 126.68 1q5h s ASP 26 Ca 0.24 2.77 0.01 0.00 0.71 0.00 0.00 52.55 56.28 1q5h s ASP 26 Cb -0.15 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.13 1q5h s ASP 26 CO 0.10 -0.84 -0.05 -0.76 0.21 0.00 0.00 175.17 173.83 1q5h s LEU 27 N 0.20 3.25 -0.01 1.23 1.43 -0.35 -3.34 118.68 121.09 1q5h s LEU 27 Ca 0.65 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.82 1q5h s LEU 27 Cb -0.45 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1q5h s LEU 27 CO 0.40 0.36 -0.22 -0.31 0.23 0.00 0.00 176.35 176.81 1q5h s TYR 28 N -0.85 2.46 0.28 0.29 2.02 -1.26 -1.52 117.35 118.77 1q5h s TYR 28 Ca 0.13 -0.33 -0.29 0.00 -0.37 0.00 0.00 57.07 56.21 1q5h s TYR 28 Cb -0.11 -1.52 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 1q5h s TYR 28 CO 0.02 0.08 1.24 0.45 -1.57 0.00 0.00 175.55 175.78 1q5h s SER 29 N -0.81 6.96 0.00 2.29 0.15 -0.26 -4.45 113.70 117.58 1q5h s SER 29 Ca 0.11 2.48 0.23 0.00 0.70 0.00 0.00 55.95 59.47 1q5h s SER 29 Cb -0.10 -2.63 0.09 0.00 -1.71 0.00 0.00 66.02 61.67 1q5h s SER 29 CO 0.00 -0.41 1.13 0.00 1.20 0.00 0.00 173.24 175.16 1q5h n ALA 30 N 1.44 4.19 -2.25 5.45 0.00 -0.82 -0.30 120.51 128.22 1q5h n ALA 30 Ca 0.01 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.81 1q5h n ALA 30 Cb 0.43 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.95 1.32 -0.15 0.00 1.51 -1.26 -4.81 117.35 111.01 1q5h s TYR 31 Ca 0.10 -1.30 -0.15 0.00 -1.01 0.00 0.00 57.07 54.71 1q5h s TYR 31 Cb 0.17 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.28 1q5h s TYR 31 CO 0.78 -0.52 0.36 -0.51 -1.11 0.00 0.00 175.55 174.54 1q5h s ASP 32 N -3.22 6.52 -0.01 2.29 1.01 -1.26 -2.98 116.67 119.02 1q5h s ASP 32 Ca 0.39 0.61 0.02 0.00 0.71 0.00 0.00 52.55 54.27 1q5h s ASP 32 Cb 0.07 -2.22 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 1q5h s ASP 32 CO 0.13 0.06 -0.05 -0.31 0.21 0.00 0.00 175.17 175.21 1q5h s TYR 33 N 0.53 0.47 -0.26 4.23 2.02 0.51 -4.99 117.35 119.85 1q5h s TYR 33 Ca 0.20 -0.09 -0.05 0.00 -0.37 0.00 0.00 57.07 56.75 1q5h s TYR 33 Cb -0.14 -0.31 -0.00 0.00 -0.40 0.00 0.00 41.96 41.11 1q5h s TYR 33 CO 0.06 -0.01 0.03 0.99 -1.57 0.00 0.00 175.55 175.04 1q5h s THR 34 N -0.08 3.72 -0.35 -0.71 2.01 -1.26 -0.29 115.64 118.68 1q5h s THR 34 Ca 0.02 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1q5h s THR 34 Cb -0.02 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.68 1q5h s THR 34 CO -0.00 0.23 0.18 -0.63 -0.69 0.00 0.00 174.62 173.71 1q5h s ILE 35 N 1.49 4.54 1.02 1.82 1.01 -0.01 -4.97 121.20 126.11 1q5h s ILE 35 Ca 0.04 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.86 1q5h s ILE 35 Cb -0.16 -3.45 0.20 0.00 0.01 0.00 0.00 42.46 39.06 1q5h s ILE 35 CO 0.00 -0.12 1.08 -2.84 0.00 0.00 0.00 174.94 173.06 1q5h s PRO 36 N 1.57 0.21 0.39 2.79 0.02 -1.26 -0.43 135.00 138.28 1q5h s PRO 36 Ca 0.03 0.98 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 1q5h s PRO 36 Cb -0.18 -1.67 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1q5h s PRO 36 CO 0.06 -3.00 1.47 -2.14 -0.33 0.00 0.00 177.00 173.05 1q5h s PRO 37 N -4.67 4.05 -1.56 5.54 0.02 -1.26 -2.85 135.00 134.28 1q5h s PRO 37 Ca 0.66 2.53 -0.05 0.00 0.02 0.00 0.00 61.00 64.16 1q5h s PRO 37 Cb -0.22 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1q5h s PRO 37 CO 0.60 -0.56 0.61 -1.33 -0.33 0.00 0.00 177.00 175.99 1q5h n MET 38 N 0.37 -4.88 -4.45 5.54 2.81 0.23 -5.00 117.12 111.74 1q5h n MET 38 Ca 0.02 0.90 -0.22 0.00 -1.81 0.00 0.00 57.70 56.58 1q5h n MET 38 Cb 0.40 -5.76 -0.10 0.00 -0.71 0.00 0.00 33.22 27.05 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 -5.72 1.69 0.20 0.03 0.41 -1.13 -4.98 118.70 109.19 1q5h s GLU 39 Ca 0.31 -1.96 0.07 0.00 -0.41 0.00 0.00 54.97 52.98 1q5h s GLU 39 Cb -0.14 -0.72 -0.05 0.00 -1.78 0.00 0.00 34.13 31.44 1q5h s GLU 39 CO 0.38 -0.27 -0.13 -1.59 -0.49 0.00 0.00 175.26 173.16 1q5h s LYS 40 N -3.87 1.30 -0.01 1.61 -2.85 -1.26 -0.63 119.74 114.02 1q5h s LYS 40 Ca 0.33 -1.58 -0.13 0.00 -1.00 0.00 0.00 55.97 53.59 1q5h s LYS 40 Cb 0.07 -1.04 0.02 0.00 -2.06 0.00 0.00 37.83 34.82 1q5h s LYS 40 CO 0.15 0.16 0.28 0.00 0.10 0.00 0.00 175.35 176.03 1q5h s ALA 41 N -3.03 -0.70 -0.42 0.59 0.00 -0.64 -4.97 121.76 112.59 1q5h s ALA 41 Ca 0.22 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.27 1q5h s ALA 41 Cb 0.00 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1q5h s ALA 41 CO 0.06 -0.25 0.46 0.08 0.00 0.00 0.00 175.76 176.11 1q5h s VAL 42 N -1.28 5.06 -0.27 0.00 1.01 -1.26 -1.13 120.40 122.52 1q5h s VAL 42 Ca -0.13 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1q5h s VAL 42 Cb -0.06 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1q5h s VAL 42 CO 0.04 -0.44 0.43 -0.69 0.00 0.00 0.00 175.10 174.43 1q5h s VAL 43 N 2.21 5.13 0.10 2.92 1.01 0.15 -4.89 120.40 127.03 1q5h s VAL 43 Ca 0.13 0.63 -0.27 0.00 0.00 0.00 0.00 61.98 62.47 1q5h s VAL 43 Cb -0.17 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 1q5h s VAL 43 CO 0.14 0.10 0.86 -0.54 0.00 0.00 0.00 175.10 175.66 1q5h s LYS 44 N 2.17 4.61 0.11 2.72 1.02 -1.26 -0.42 119.74 128.69 1q5h s LYS 44 Ca 0.17 1.26 0.22 0.00 0.02 0.00 0.00 55.97 57.65 1q5h s LYS 44 Cb -0.16 -3.35 -0.13 0.00 -0.52 0.00 0.00 37.83 33.68 1q5h s LYS 44 CO 0.10 0.32 0.82 0.25 -0.92 0.00 0.00 175.35 175.92 1q5h n THR 45 N 2.50 0.36 -3.18 2.17 -2.24 -1.02 -1.95 114.28 110.93 1q5h n THR 45 Ca -0.01 -0.52 -0.23 0.00 -2.27 0.00 0.00 64.05 61.02 1q5h n THR 45 Cb 0.49 -0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.49 -5.57 -4.30 3.42 9.92 -1.26 -4.46 116.55 111.80 1q5h n ASP 46 Ca -0.02 -0.35 -0.24 0.00 -0.53 0.00 0.00 54.79 53.65 1q5h n ASP 46 Cb 0.55 -4.51 -0.12 0.00 -0.64 0.00 0.00 41.12 36.40 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 -3.14 1.79 0.02 0.53 -4.36 -1.26 -0.39 121.20 114.38 1q5h s ILE 47 Ca 0.36 -1.61 0.04 0.00 -0.26 0.00 0.00 60.65 59.18 1q5h s ILE 47 Cb -0.17 -1.64 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1q5h s ILE 47 CO 0.45 -0.08 -0.10 0.00 0.24 0.00 0.00 174.94 175.45 1q5h s GLN 48 N -2.03 2.41 0.15 0.37 -2.07 -0.65 -1.23 119.66 116.61 1q5h s GLN 48 Ca 0.08 -0.80 0.08 0.00 -1.82 0.00 0.00 55.36 52.91 1q5h s GLN 48 Cb -0.09 -2.41 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 1q5h s GLN 48 CO 0.05 0.58 -0.19 0.96 -1.32 0.00 0.00 175.29 175.37 1q5h s ILE 49 N -0.98 1.78 -0.29 3.63 -4.36 -1.26 -1.51 121.20 118.20 1q5h s ILE 49 Ca 0.17 -1.82 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1q5h s ILE 49 Cb -0.11 -1.76 0.08 0.00 1.25 0.00 0.00 42.46 41.91 1q5h s ILE 49 CO 0.07 -0.26 -0.03 0.00 0.24 0.00 0.00 174.94 174.97 1q5h s ALA 50 N -1.84 2.55 0.46 2.27 0.00 0.63 -4.62 121.76 121.21 1q5h s ALA 50 Ca 0.13 -2.01 -0.22 0.00 0.00 0.00 0.00 51.96 49.87 1q5h s ALA 50 Cb -0.07 -1.72 -0.08 0.00 0.00 0.00 0.00 23.12 21.26 1q5h s ALA 50 CO 0.06 -1.42 1.09 -0.51 0.00 0.00 0.00 175.76 174.98 1q5h s LEU 51 N 1.09 3.97 0.73 0.00 1.43 -1.26 -2.62 118.68 122.03 1q5h s LEU 51 Ca 0.00 2.10 -0.15 0.00 -1.03 0.00 0.00 54.13 55.05 1q5h s LEU 51 Cb -0.19 -4.36 0.04 0.00 0.03 0.00 0.00 46.19 41.71 1q5h s LEU 51 CO -0.07 -0.78 1.20 -2.16 0.23 0.00 0.00 176.35 174.76 1q5h s PRO 52 N -2.86 2.12 0.34 1.29 0.04 -1.25 -4.97 135.00 129.71 1q5h s PRO 52 Ca 0.64 1.74 -0.28 0.00 0.04 0.00 0.00 61.00 63.14 1q5h s PRO 52 Cb -0.22 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1q5h s PRO 52 CO 0.27 -1.84 1.22 -1.54 0.04 0.00 0.00 177.00 175.15 1q5h s SER 53 N -2.08 6.79 0.00 6.66 1.04 -1.26 -3.63 113.70 121.21 1q5h s SER 53 Ca 0.74 2.49 0.00 0.00 0.48 0.00 0.00 55.95 59.66 1q5h s SER 53 Cb -0.29 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.20 1q5h s SER 53 CO 0.46 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1q5h n GLY 54 N 0.84 0.87 3.32 7.32 0.00 -1.26 -4.96 105.19 111.32 1q5h n GLY 54 Ca 0.01 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.95 2.46 -0.28 0.00 1.13 -0.73 -4.41 117.35 111.56 1q5h s TYR 56 Ca 0.15 -0.48 -0.14 0.00 -1.41 0.00 0.00 57.07 55.20 1q5h s TYR 56 Cb 0.03 -1.43 -0.04 0.00 -1.10 0.00 0.00 41.96 39.43 1q5h s TYR 56 CO -0.02 0.54 0.32 0.20 -2.51 0.00 0.00 175.55 174.09 1q5h s GLY 57 N -3.65 1.90 -0.26 5.49 0.00 -0.37 -1.24 107.32 109.18 1q5h s GLY 57 Ca 0.33 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 1q5h s GLY 57 CO 0.18 0.89 0.23 -1.60 0.00 0.00 0.00 173.10 172.79 1q5h s ARG 58 N 1.98 4.03 -0.30 2.90 3.52 0.14 -0.09 118.95 131.12 1q5h s ARG 58 Ca 0.12 -0.20 -0.28 0.00 -0.13 0.00 0.00 55.73 55.25 1q5h s ARG 58 Cb -0.16 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.64 1q5h s ARG 58 CO 0.10 -0.09 1.01 0.08 -0.81 0.00 0.00 175.30 175.59 1q5h s VAL 59 N 1.51 4.60 0.14 7.11 1.01 -0.01 -1.17 120.40 133.59 1q5h s VAL 59 Ca 0.10 1.67 0.09 0.00 0.00 0.00 0.00 61.98 63.84 1q5h s VAL 59 Cb -0.15 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1q5h s VAL 59 CO 0.08 -0.38 -0.22 0.00 0.00 0.00 0.00 175.10 174.58 1q5h s ALA 60 N 3.44 2.10 0.50 5.51 0.00 0.16 -4.69 121.76 128.78 1q5h s ALA 60 Ca 0.42 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 1q5h s ALA 60 Cb -0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1q5h s ALA 60 CO 0.13 0.37 1.11 -2.14 0.00 0.00 0.00 175.76 175.23 1q5h s PRO 61 N -2.35 3.59 0.39 0.00 0.02 -1.26 -1.27 135.00 134.12 1q5h s PRO 61 Ca 0.13 1.58 -0.24 0.00 0.02 0.00 0.00 61.00 62.50 1q5h s PRO 61 Cb -0.08 -2.14 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1q5h s PRO 61 CO 0.06 -0.65 0.98 1.03 -0.33 0.00 0.00 177.00 178.10 1q5h s ARG 62 N -3.10 4.32 -0.01 5.54 1.81 -1.26 -4.74 118.95 121.50 1q5h s ARG 62 Ca 0.69 1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 55.82 1q5h s ARG 62 Cb -0.23 -2.50 -0.33 0.00 -0.45 0.00 0.00 34.95 31.44 1q5h s ARG 62 CO 0.27 0.03 0.94 0.66 -0.68 0.00 0.00 175.30 176.52 1q5h h SER 63 N 2.51 0.65 -0.41 0.23 4.64 -1.98 -3.03 113.55 116.16 1q5h h SER 63 Ca -0.48 -0.94 -0.00 0.00 -0.47 0.00 0.00 61.79 59.90 1q5h h SER 63 Cb 1.20 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 1q5h h SER 63 CO 0.63 1.55 0.26 1.23 -0.87 0.00 0.00 176.83 179.62 1q5h h GLY 64 N -0.12 0.59 1.03 -0.77 0.00 -1.99 -0.79 103.07 101.03 1q5h h GLY 64 Ca -0.20 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1q5h h GLY 64 CO 0.21 0.23 0.63 1.41 0.00 0.00 0.00 176.54 179.03 1q5h h LEU 65 N 0.55 1.09 0.13 3.11 3.38 -1.93 0.02 115.31 121.65 1q5h h LEU 65 Ca 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1q5h h LEU 65 Cb -0.02 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.46 1q5h h LEU 65 CO -0.03 0.78 -0.06 0.00 0.09 0.00 0.00 178.44 179.22 1q5h h ALA 66 N 1.41 -0.17 -0.43 1.53 0.00 -1.35 -1.56 119.26 118.69 1q5h h ALA 66 Ca 0.36 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1q5h h ALA 66 Cb -0.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1q5h h ALA 66 CO -0.09 -0.43 -0.16 0.00 0.00 0.00 0.00 179.25 178.58 1q5h h ALA 67 N 0.30 0.91 0.10 0.00 0.00 -0.97 -2.49 119.26 117.11 1q5h h ALA 67 Ca -0.02 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 54.18 1q5h h ALA 67 Cb 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1q5h h ALA 67 CO 0.03 0.63 -2.10 1.17 0.00 0.00 0.00 179.25 178.97 1q5h n LYS 68 N -4.14 0.74 -0.01 0.00 4.81 -0.02 -4.65 118.16 114.89 1q5h n LYS 68 Ca 0.01 0.24 0.02 0.00 -0.87 0.00 0.00 58.31 57.71 1q5h n LYS 68 Cb 0.40 -1.67 0.02 0.00 0.02 0.00 0.00 35.03 33.81 1q5h n LYS 68 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1q5h n HIS 69 N -3.43 0.02 -3.48 5.64 8.25 -0.62 -5.00 115.22 116.59 1q5h n HIS 69 Ca -0.35 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 56.85 1q5h n HIS 69 Cb 1.04 -0.00 0.07 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 0.23 -2.60 -3.58 4.41 -0.00 -0.94 -4.25 117.46 110.73 1q5h n PHE 70 Ca 0.03 0.91 -0.37 0.00 -0.00 0.00 0.00 57.45 58.02 1q5h n PHE 70 Cb 0.14 -4.66 -0.06 0.00 -0.00 0.00 0.00 39.48 34.89 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 -3.29 5.21 0.18 -2.13 -1.09 -1.03 -2.08 121.20 116.98 1q5h s ILE 71 Ca 0.53 0.64 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1q5h s ILE 71 Cb -0.23 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 1q5h s ILE 71 CO 0.65 0.52 -0.03 -0.62 -1.23 0.00 0.00 174.94 174.23 1q5h s ASP 72 N -0.52 1.58 -0.17 3.58 3.68 -0.66 -3.78 116.67 120.38 1q5h s ASP 72 Ca 0.20 -1.14 -0.01 0.00 2.13 0.00 0.00 52.55 53.73 1q5h s ASP 72 Cb -0.15 0.04 -0.01 0.00 -1.45 0.00 0.00 42.92 41.36 1q5h s ASP 72 CO 0.09 -0.48 -0.11 -0.69 0.13 0.00 0.00 175.17 174.11 1q5h s VAL 73 N -3.48 2.99 0.70 1.11 1.01 -1.26 -0.47 120.40 120.98 1q5h s VAL 73 Ca 0.23 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1q5h s VAL 73 Cb 0.05 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.26 1q5h s VAL 73 CO 0.04 0.49 0.96 -0.83 0.00 0.00 0.00 175.10 175.76 1q5h s GLY 74 N 0.93 1.74 0.00 4.51 0.00 -0.09 -4.92 107.32 109.49 1q5h s GLY 74 Ca -0.02 -1.93 0.00 0.00 0.00 0.00 0.00 44.72 42.77 1q5h s GLY 74 CO -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 173.10 171.74 1q5h n ALA 75 N -2.71 0.00 0.00 3.20 0.00 -1.26 -4.45 120.51 115.30 1q5h n ALA 75 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 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 0.46 3.48 0.00 0.00 -1.26 -4.96 105.19 102.91 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 4.87 -0.36 1.61 1.01 -1.26 -0.83 120.40 123.43 1q5h s VAL 77 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1q5h s VAL 77 Cb 0.00 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.14 1q5h s VAL 77 CO 0.00 -0.68 0.35 -0.63 0.00 0.00 0.00 175.10 174.14 1q5h s ILE 78 N 2.69 5.18 0.47 2.22 -1.09 0.87 -5.00 121.20 126.55 1q5h s ILE 78 Ca 0.18 -0.14 -0.23 0.00 -2.23 0.00 0.00 60.65 58.24 1q5h s ILE 78 Cb -0.16 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 36.79 1q5h s ILE 78 CO 0.15 -0.16 1.18 -1.81 -1.23 0.00 0.00 174.94 173.07 1q5h s ASP 79 N 1.74 6.04 0.37 3.58 1.11 -1.26 -1.24 116.67 127.01 1q5h s ASP 79 Ca 0.10 2.34 0.15 0.00 0.18 0.00 0.00 52.55 55.32 1q5h s ASP 79 Cb -0.17 -2.60 1.01 0.00 1.07 0.00 0.00 42.92 42.23 1q5h s ASP 79 CO 0.12 -1.01 1.76 -0.08 1.18 0.00 0.00 175.17 177.14 1q5h h GLU 80 N 1.92 0.46 -0.07 8.23 4.81 -1.97 -1.61 114.58 126.35 1q5h h GLU 80 Ca -0.50 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1q5h h GLU 80 Cb 1.25 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1q5h h GLU 80 CO 0.60 0.31 0.00 -0.40 -0.73 0.00 0.00 179.01 178.78 1q5h n ASP 81 N -4.71 1.73 -4.71 1.04 5.75 -1.26 -4.40 116.55 109.99 1q5h n ASP 81 Ca 0.26 -1.61 -0.42 0.00 -0.01 0.00 0.00 54.79 53.00 1q5h n ASP 81 Cb 0.82 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.84 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 -1.92 3.12 -0.05 2.11 5.04 -0.61 -4.90 117.35 120.13 1q5h s TYR 82 Ca 0.36 0.93 0.07 0.00 -2.44 0.00 0.00 57.07 55.99 1q5h s TYR 82 Cb 0.20 -3.65 0.11 0.00 0.35 0.00 0.00 41.96 38.96 1q5h s TYR 82 CO 0.31 -2.32 1.01 0.54 -1.34 0.00 0.00 175.55 173.75 1q5h n ARG 83 N 4.45 1.82 -1.81 4.97 5.12 -1.26 -4.63 116.66 125.33 1q5h n ARG 83 Ca 0.12 -1.76 -0.22 0.00 -1.93 0.00 0.00 57.85 54.06 1q5h n ARG 83 Cb 0.43 -1.10 0.14 0.00 -1.16 0.00 0.00 32.46 30.77 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 -0.76 -0.57 3.71 -0.13 0.00 -1.26 -4.81 105.19 101.37 1q5h n GLY 84 Ca 0.06 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1q5h n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q5h n ASN 85 N -3.38 3.96 -4.63 1.61 2.85 -1.26 -4.28 115.26 110.14 1q5h n ASN 85 Ca 0.13 1.05 -0.43 0.00 -0.11 0.00 0.00 54.58 55.23 1q5h n ASN 85 Cb 0.47 -1.56 -0.02 0.00 1.24 0.00 0.00 39.78 39.91 1q5h n ASN 85 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1q5h s VAL 86 N 1.32 4.43 -0.08 3.44 1.01 -0.37 -4.99 120.40 125.16 1q5h s VAL 86 Ca 0.76 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 64.29 1q5h s VAL 86 Cb -0.51 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.36 1q5h s VAL 86 CO 0.33 -0.62 0.14 -0.83 0.00 0.00 0.00 175.10 174.13 1q5h s GLY 87 N 1.87 2.15 -0.19 4.51 0.00 -1.26 -2.43 107.32 111.97 1q5h s GLY 87 Ca 0.46 -0.69 -0.03 0.00 0.00 0.00 0.00 44.72 44.46 1q5h s GLY 87 CO 0.20 -0.48 -0.06 0.14 0.00 0.00 0.00 173.10 172.89 1q5h s VAL 88 N -1.12 3.38 -0.49 1.40 1.01 0.44 -4.94 120.40 120.08 1q5h s VAL 88 Ca 0.19 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 1q5h s VAL 88 Cb -0.12 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.81 1q5h s VAL 88 CO 0.09 0.46 0.63 -0.69 0.00 0.00 0.00 175.10 175.59 1q5h s VAL 89 N 1.02 4.86 -0.17 2.92 1.01 -1.26 0.30 120.40 129.08 1q5h s VAL 89 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1q5h s VAL 89 Cb -0.15 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1q5h s VAL 89 CO -0.00 -0.77 0.16 -0.76 0.00 0.00 0.00 175.10 173.73 1q5h s LEU 90 N 2.68 4.26 -0.18 3.92 1.43 -0.29 -0.91 118.68 129.60 1q5h s LEU 90 Ca 0.17 0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1q5h s LEU 90 Cb -0.18 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1q5h s LEU 90 CO 0.13 0.22 -0.01 -0.36 0.23 0.00 0.00 176.35 176.57 1q5h s PHE 91 N 0.02 3.05 -0.52 0.29 2.99 0.38 -1.61 117.98 122.58 1q5h s PHE 91 Ca 0.11 -0.34 -0.10 0.00 0.00 0.00 0.00 56.93 56.60 1q5h s PHE 91 Cb -0.12 -2.03 0.13 0.00 0.00 0.00 0.00 43.02 41.01 1q5h s PHE 91 CO 0.01 -0.11 0.41 1.21 -0.00 0.00 0.00 175.22 176.73 1q5h s ASN 92 N 0.66 5.84 0.00 1.36 2.47 0.19 -1.65 114.94 123.81 1q5h s ASN 92 Ca -0.01 -2.02 0.28 0.00 0.42 0.00 0.00 52.86 51.53 1q5h s ASN 92 Cb -0.14 -2.05 1.06 0.00 -1.45 0.00 0.00 41.25 38.67 1q5h s ASN 92 CO 0.02 -0.69 1.75 0.49 -3.72 0.00 0.00 177.10 174.95 1q5h n PHE 93 N 4.79 0.00 -1.65 0.43 3.72 -0.88 -0.60 117.46 123.27 1q5h n PHE 93 Ca -0.06 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.05 1q5h n PHE 93 Cb 0.41 -0.03 0.16 0.00 -0.94 0.00 0.00 39.48 39.08 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 -2.10 1.65 0.03 1.37 0.00 -1.25 -4.69 107.32 102.32 1q5h s GLY 94 Ca 0.36 -0.84 0.24 0.00 0.00 0.00 0.00 44.72 44.48 1q5h s GLY 94 CO 0.37 -0.17 1.25 0.28 0.00 0.00 0.00 173.10 174.84 1q5h n LYS 95 N -3.87 0.12 -4.26 2.90 5.02 -1.26 -3.66 118.16 113.15 1q5h n LYS 95 Ca 0.11 0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.18 1q5h n LYS 95 Cb 0.60 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.07 2.39 0.55 1.97 2.02 -1.26 -4.75 118.70 116.54 1q5h s GLU 96 Ca 0.08 -1.32 -0.21 0.00 0.02 0.00 0.00 54.97 53.54 1q5h s GLU 96 Cb 0.16 -2.24 -0.05 0.00 0.10 0.00 0.00 34.13 32.10 1q5h s GLU 96 CO 0.75 0.38 1.32 1.63 0.02 0.00 0.00 175.26 179.36 1q5h n LYS 97 N -0.80 1.61 -4.62 1.61 5.02 -1.26 -4.13 118.16 115.59 1q5h n LYS 97 Ca -0.07 0.59 -0.33 0.00 -2.02 0.00 0.00 58.31 56.48 1q5h n LYS 97 Cb 0.58 -2.53 -0.14 0.00 -0.02 0.00 0.00 35.03 32.92 1q5h n LYS 97 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1q5h s PHE 98 N -1.30 2.84 -0.26 2.13 2.19 0.43 -4.97 117.98 119.03 1q5h s PHE 98 Ca 0.72 -0.69 -0.10 0.00 0.33 0.00 0.00 56.93 57.19 1q5h s PHE 98 Cb -0.42 -1.89 -0.04 0.00 -1.31 0.00 0.00 43.02 39.36 1q5h s PHE 98 CO 0.49 -0.26 0.15 -1.21 1.83 0.00 0.00 175.22 176.22 1q5h s GLU 99 N 0.52 3.89 -0.27 10.12 2.02 -1.26 -0.83 118.70 132.88 1q5h s GLU 99 Ca -0.08 -0.36 -0.11 0.00 0.02 0.00 0.00 54.97 54.45 1q5h s GLU 99 Cb -0.15 -3.54 -0.05 0.00 0.10 0.00 0.00 34.13 30.48 1q5h s GLU 99 CO 0.04 -0.14 0.18 0.08 0.02 0.00 0.00 175.26 175.43 1q5h s VAL 100 N 1.61 5.26 0.02 2.63 1.01 0.61 -5.00 120.40 126.53 1q5h s VAL 100 Ca 0.07 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1q5h s VAL 100 Cb -0.15 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1q5h s VAL 100 CO 0.08 0.27 0.19 -0.54 0.00 0.00 0.00 175.10 175.10 1q5h s LYS 101 N 1.67 3.43 -0.09 2.72 3.01 -1.26 -0.37 119.74 128.86 1q5h s LYS 101 Ca 0.07 -0.37 -0.38 0.00 -1.01 0.00 0.00 55.97 54.28 1q5h s LYS 101 Cb -0.16 -3.07 -0.16 0.00 -1.01 0.00 0.00 37.83 33.43 1q5h s LYS 101 CO 0.10 0.65 1.55 1.17 0.51 0.00 0.00 175.35 179.33 1q5h n LYS 102 N 0.72 1.20 -0.06 1.68 4.81 -1.16 -1.23 118.16 124.12 1q5h n LYS 102 Ca -0.09 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 1q5h n LYS 102 Cb 0.52 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.46 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 3.39 0.54 3.77 3.14 0.00 0.59 -4.98 105.19 111.63 1q5h n GLY 103 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.59 6.98 -0.32 1.61 1.01 -0.37 -4.74 116.67 118.25 1q5h s ASP 104 Ca 0.00 2.33 -0.29 0.00 0.71 0.00 0.00 52.55 55.30 1q5h s ASP 104 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1q5h s ASP 104 CO 0.00 -0.35 1.13 -0.13 0.21 0.00 0.00 175.17 176.03 1q5h s ARG 105 N -1.79 4.02 0.00 8.23 0.52 -1.26 -1.10 118.95 127.56 1q5h s ARG 105 Ca 0.49 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1q5h s ARG 105 Cb -0.32 -3.78 0.00 0.00 0.52 0.00 0.00 34.95 31.37 1q5h s ARG 105 CO 0.41 -0.98 0.00 0.44 0.02 0.00 0.00 175.30 175.19 1q5h n ILE 106 N 6.00 0.00 -3.88 1.52 -6.64 -0.58 -4.99 119.36 110.79 1q5h n ILE 106 Ca 0.13 -0.37 -0.04 0.00 -1.77 0.00 0.00 62.75 60.70 1q5h n ILE 106 Cb 0.47 0.88 0.02 0.00 -1.44 0.00 0.00 39.64 39.57 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 -1.17 -1.46 0.05 -1.28 0.00 -1.23 -4.54 121.76 112.13 1q5h s ALA 107 Ca 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1q5h s ALA 107 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1q5h s ALA 107 CO 0.00 -1.05 -0.06 1.14 0.00 0.00 0.00 175.76 175.79 1q5h s GLN 108 N -2.16 0.56 -0.20 0.00 -2.07 -0.40 -1.21 119.66 114.18 1q5h s GLN 108 Ca 0.21 -0.91 -0.02 0.00 -1.82 0.00 0.00 55.36 52.82 1q5h s GLN 108 Cb -0.03 -0.13 -0.00 0.00 -1.09 0.00 0.00 33.01 31.75 1q5h s GLN 108 CO 0.06 -0.00 -0.10 -1.17 -1.32 0.00 0.00 175.29 172.76 1q5h s LEU 109 N -2.03 2.66 -0.10 2.60 2.96 0.70 -0.67 118.68 124.80 1q5h s LEU 109 Ca -0.05 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 1q5h s LEU 109 Cb -0.05 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1q5h s LEU 109 CO -0.02 0.01 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.28 1q5h s ILE 110 N 1.28 3.31 -0.88 6.68 1.01 -0.31 -1.31 121.20 130.97 1q5h s ILE 110 Ca 0.03 -0.59 -0.20 0.00 0.00 0.00 0.00 60.65 59.89 1q5h s ILE 110 Cb -0.14 -2.37 0.11 0.00 0.01 0.00 0.00 42.46 40.07 1q5h s ILE 110 CO -0.05 0.55 1.12 0.00 0.00 0.00 0.00 174.94 176.56 1q5h s GLU 112 N 3.09 4.27 0.07 0.00 0.41 -0.38 -4.89 118.70 121.27 1q5h s GLU 112 Ca 0.32 0.98 -0.30 0.00 -0.41 0.00 0.00 54.97 55.56 1q5h s GLU 112 Cb -0.07 -3.59 -0.05 0.00 -1.78 0.00 0.00 34.13 28.64 1q5h s GLU 112 CO -0.06 -0.36 1.14 1.03 -0.49 0.00 0.00 175.26 176.52 1q5h s ARG 113 N 2.27 4.48 0.24 1.61 0.52 -1.26 -1.78 118.95 125.03 1q5h s ARG 113 Ca 0.37 1.69 0.01 0.00 -0.52 0.00 0.00 55.73 57.29 1q5h s ARG 113 Cb -0.16 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 1q5h s ARG 113 CO 0.11 -0.16 0.16 0.96 0.02 0.00 0.00 175.30 176.39 1q5h s ILE 114 N 0.84 0.08 0.28 1.52 -4.36 -0.88 -4.97 121.20 113.71 1q5h s ILE 114 Ca 0.56 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1q5h s ILE 114 Cb -0.28 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 1q5h s ILE 114 CO 0.30 0.00 0.09 0.72 0.24 0.00 0.00 174.94 176.28 1q5h s PHE 115 N -3.92 1.68 -0.68 1.37 -0.71 -1.26 -4.64 117.98 109.81 1q5h s PHE 115 Ca 0.39 -1.12 0.05 0.00 -1.04 0.00 0.00 56.93 55.21 1q5h s PHE 115 Cb 0.06 -1.02 0.17 0.00 -1.21 0.00 0.00 43.02 41.01 1q5h s PHE 115 CO 0.16 -0.23 0.48 0.71 -1.34 0.00 0.00 175.22 175.00 1q5h s TYR 116 N -3.61 3.45 0.50 3.49 2.02 -1.26 -5.09 117.35 116.86 1q5h s TYR 116 Ca 0.37 -3.29 -0.20 0.00 -0.37 0.00 0.00 57.07 53.58 1q5h s TYR 116 Cb 0.08 -2.64 -0.08 0.00 -0.40 0.00 0.00 41.96 38.92 1q5h s TYR 116 CO 0.14 -0.57 1.04 -1.25 -1.57 0.00 0.00 175.55 173.35 1q5h s PRO 117 N -1.34 3.74 0.56 -1.71 0.04 -1.26 -5.04 135.00 129.99 1q5h s PRO 117 Ca 0.25 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 1q5h s PRO 117 Cb -0.05 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1q5h s PRO 117 CO -0.16 -0.48 1.07 -1.21 0.04 0.00 0.00 177.00 176.26 1q5h s GLU 118 N -3.33 3.40 -0.03 4.56 2.02 -1.26 -5.06 118.70 119.00 1q5h s GLU 118 Ca 0.67 1.34 -0.11 0.00 0.02 0.00 0.00 54.97 56.89 1q5h s GLU 118 Cb -0.16 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 1q5h s GLU 118 CO 0.22 -0.76 0.30 -1.50 0.02 0.00 0.00 175.26 173.53 1q5h s ILE 119 N -2.20 5.24 -0.09 -1.63 2.07 -1.26 -5.09 121.20 118.24 1q5h s ILE 119 Ca 0.66 0.50 -0.01 0.00 -1.41 0.00 0.00 60.65 60.39 1q5h s ILE 119 Cb -0.18 -3.58 0.03 0.00 0.13 0.00 0.00 42.46 38.86 1q5h s ILE 119 CO 0.31 0.54 -0.03 -0.70 -1.91 0.00 0.00 174.94 173.15 1q5h s GLU 120 N -1.22 0.96 -0.07 3.50 2.12 -1.26 -5.12 118.70 117.60 1q5h s GLU 120 Ca 0.22 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.25 1q5h s GLU 120 Cb -0.14 -1.26 -0.03 0.00 0.26 0.00 0.00 34.13 32.96 1q5h s GLU 120 CO 0.11 -0.31 0.74 -2.00 -0.54 0.00 0.00 175.26 173.26 1q5h s GLU 121 N 1.87 4.43 0.30 4.30 2.12 -1.26 -5.07 118.70 125.39 1q5h s GLU 121 Ca 0.05 0.93 0.07 0.00 0.36 0.00 0.00 54.97 56.38 1q5h s GLU 121 Cb -0.13 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 1q5h s GLU 121 CO -0.06 0.00 -0.06 0.14 -0.54 0.00 0.00 175.26 174.74 1q5h s VAL 122 N 0.99 1.80 -0.06 3.70 -7.23 -1.26 -5.07 120.40 113.27 1q5h s VAL 122 Ca 0.39 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1q5h s VAL 122 Cb -0.18 -2.53 -0.30 0.00 0.56 0.00 0.00 36.38 33.93 1q5h s VAL 122 CO 0.18 -0.25 0.70 1.56 -0.31 0.00 0.00 175.10 176.98 1q5h h GLN 123 N 2.19 0.34 -5.66 4.82 1.08 -1.99 -3.46 115.11 112.43 1q5h h GLN 123 Ca -0.41 -0.58 -0.49 0.00 -1.45 0.00 0.00 58.65 55.73 1q5h h GLN 123 Cb 1.24 0.22 -0.23 0.00 -0.05 0.00 0.00 27.48 28.65 1q5h h GLN 123 CO 0.68 1.28 -0.81 0.00 -0.95 0.00 0.00 178.83 179.04 1q5h s ALA 124 N -2.52 1.43 0.18 3.87 0.00 -1.26 -5.05 121.76 118.41 1q5h s ALA 124 Ca -0.16 -1.01 0.35 0.00 0.00 0.00 0.00 51.96 51.13 1q5h s ALA 124 Cb 0.04 -0.21 1.67 0.00 0.00 0.00 0.00 23.12 24.63 1q5h s ALA 124 CO 0.83 0.27 2.04 -0.07 0.00 0.00 0.00 175.76 178.83 1q5h h LEU 125 N 4.56 0.00 -3.18 0.00 3.38 -2.03 -1.75 115.31 116.28 1q5h h LEU 125 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1q5h h LEU 125 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1q5h h LEU 125 CO 0.42 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.05 1q5h n ASP 126 N -2.85 4.99 0.00 -0.43 5.75 -1.26 -5.12 116.55 117.63 1q5h n ASP 126 Ca -0.01 -2.60 0.01 0.00 -0.01 0.00 0.00 54.79 52.18 1q5h n ASP 126 Cb 0.17 -0.61 0.04 0.00 -1.03 0.00 0.00 41.12 39.69 1q5h n ASP 126 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56