#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ar1 s VAL 2 N 0.00 5.13 -0.17 2.62 1.01 -1.26 -3.60 120.40 124.13 1ar1 s VAL 2 Ca 0.00 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.68 1ar1 s VAL 2 Cb 0.00 -3.79 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1ar1 s VAL 2 CO 0.00 0.17 0.43 -1.59 0.00 0.00 0.00 175.10 174.11 1ar1 s LYS 3 N 1.77 0.47 -0.17 2.72 -2.85 -0.75 -5.03 119.74 115.90 1ar1 s LYS 3 Ca 0.21 0.68 -0.04 0.00 -1.00 0.00 0.00 55.97 55.82 1ar1 s LYS 3 Cb -0.15 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.74 1ar1 s LYS 3 CO 0.09 -0.10 -0.03 -0.51 0.10 0.00 0.00 175.35 174.90 1ar1 s LEU 4 N 0.69 3.21 -0.38 2.77 1.02 -1.26 -2.59 118.68 122.15 1ar1 s LEU 4 Ca -0.04 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 53.95 1ar1 s LEU 4 Cb -0.05 -1.79 0.11 0.00 0.02 0.00 0.00 46.19 44.48 1ar1 s LEU 4 CO -0.05 0.13 0.13 -1.10 0.02 0.00 0.00 176.35 175.48 1ar1 s GLN 5 N 0.60 1.73 0.25 1.70 -1.52 -0.56 -3.73 119.66 118.13 1ar1 s GLN 5 Ca -0.02 -1.88 -0.17 0.00 -1.95 0.00 0.00 55.36 51.34 1ar1 s GLN 5 Cb -0.14 -3.38 -0.08 0.00 -0.22 0.00 0.00 33.01 29.18 1ar1 s GLN 5 CO 0.02 -1.01 0.70 -1.83 -0.25 0.00 0.00 175.29 172.93 1ar1 s GLU 6 N 0.96 4.10 0.18 2.91 1.03 -1.25 -0.42 118.70 126.21 1ar1 s GLU 6 Ca 0.10 0.72 -0.10 0.00 0.03 0.00 0.00 54.97 55.71 1ar1 s GLU 6 Cb -0.21 -2.71 -0.00 0.00 -0.80 0.00 0.00 34.13 30.41 1ar1 s GLU 6 CO -0.06 0.31 0.34 -1.54 -1.33 0.00 0.00 175.26 172.98 1ar1 s SER 7 N -1.93 -0.01 0.00 0.83 1.04 0.18 -4.75 113.70 109.07 1ar1 s SER 7 Ca 0.47 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1ar1 s SER 7 Cb -0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ar1 s SER 7 CO 0.19 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1ar1 n GLY 8 N -0.26 1.02 3.71 7.32 0.00 -1.26 0.29 105.19 116.01 1ar1 n GLY 8 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1ar1 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ar1 s GLY 9 N -2.04 1.34 0.35 -0.02 0.00 -1.26 -4.77 107.32 100.93 1ar1 s GLY 9 Ca 0.00 1.48 -0.09 0.00 0.00 0.00 0.00 44.72 46.11 1ar1 s GLY 9 CO 0.00 2.89 0.62 -0.35 0.00 0.00 0.00 173.10 176.25 1ar1 s ASP 10 N 1.62 0.42 -0.27 1.64 2.15 -1.00 -4.83 116.67 116.40 1ar1 s ASP 10 Ca 0.75 -1.27 -0.14 0.00 0.43 0.00 0.00 52.55 52.32 1ar1 s ASP 10 Cb -0.47 0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 42.85 1ar1 s ASP 10 CO 0.33 -1.45 0.34 -0.22 -0.17 0.00 0.00 175.17 174.00 1ar1 s LEU 11 N -3.14 4.04 0.33 -1.34 2.96 -1.26 -1.73 118.68 118.54 1ar1 s LEU 11 Ca 0.23 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.47 1ar1 s LEU 11 Cb -0.03 -2.38 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 1ar1 s LEU 11 CO 0.15 -0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.26 1ar1 s VAL 12 N 1.97 2.04 0.14 1.68 1.01 0.74 -4.96 120.40 123.02 1ar1 s VAL 12 Ca 0.14 -2.17 0.03 0.00 0.00 0.00 0.00 61.98 59.97 1ar1 s VAL 12 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ar1 s VAL 12 CO 0.10 -0.23 0.22 -1.10 0.00 0.00 0.00 175.10 174.09 1ar1 s GLN 13 N -3.65 3.23 0.10 2.72 -0.21 -1.26 -2.01 119.66 118.57 1ar1 s GLN 13 Ca 0.32 -0.68 -0.36 0.00 0.02 0.00 0.00 55.36 54.66 1ar1 s GLN 13 Cb 0.03 -2.85 -0.16 0.00 1.00 0.00 0.00 33.01 31.02 1ar1 s GLN 13 CO 0.15 0.52 1.34 -2.30 -2.12 0.00 0.00 175.29 172.88 1ar1 n PRO 14 N -0.35 1.20 -0.26 2.91 -0.02 -1.25 -1.11 135.00 136.11 1ar1 n PRO 14 Ca -0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1ar1 n PRO 14 Cb 0.54 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1ar1 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ar1 n GLY 15 N 2.52 1.46 3.89 -1.23 0.00 0.60 -4.92 105.19 107.49 1ar1 n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1ar1 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ar1 s GLY 16 N -1.85 1.62 0.54 -0.02 0.00 -0.27 -3.41 107.32 103.94 1ar1 s GLY 16 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 44.72 44.47 1ar1 s GLY 16 CO 0.00 -0.02 0.75 -0.56 0.00 0.00 0.00 173.10 173.27 1ar1 s SER 17 N -4.25 5.19 -0.30 1.64 0.01 -1.26 -2.02 113.70 112.70 1ar1 s SER 17 Ca 0.55 -0.52 -0.27 0.00 1.31 0.00 0.00 55.95 57.02 1ar1 s SER 17 Cb -0.11 -0.22 0.20 0.00 0.21 0.00 0.00 66.02 66.10 1ar1 s SER 17 CO 0.51 -1.21 1.44 -0.22 0.41 0.00 0.00 173.24 174.16 1ar1 s LEU 18 N -4.65 -0.01 -0.18 2.44 2.96 -0.54 -4.95 118.68 113.75 1ar1 s LEU 18 Ca 0.60 0.01 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1ar1 s LEU 18 Cb -0.08 1.01 0.04 0.00 0.50 0.00 0.00 46.19 47.67 1ar1 s LEU 18 CO 0.38 -0.00 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.59 1ar1 s LYS 19 N -0.57 1.54 0.43 1.98 2.20 -1.26 0.05 119.74 124.12 1ar1 s LYS 19 Ca 0.09 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1ar1 s LYS 19 Cb -0.03 -2.16 -0.05 0.00 -1.51 0.00 0.00 37.83 34.09 1ar1 s LYS 19 CO -0.12 -0.46 0.75 -0.51 -0.36 0.00 0.00 175.35 174.65 1ar1 s LEU 20 N 1.57 3.75 0.05 5.43 1.43 -0.61 -4.62 118.68 125.68 1ar1 s LEU 20 Ca -0.00 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1ar1 s LEU 20 Cb -0.16 -3.86 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1ar1 s LEU 20 CO -0.08 -0.47 -0.07 -0.44 0.23 0.00 0.00 176.35 175.52 1ar1 s SER 21 N -3.72 0.83 -0.04 2.29 0.01 0.14 -2.03 113.70 111.19 1ar1 s SER 21 Ca 0.48 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1ar1 s SER 21 Cb -0.10 0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1ar1 s SER 21 CO 0.39 -0.30 -0.01 0.00 0.41 0.00 0.00 173.24 173.73 1ar1 s ALA 23 N 1.11 2.83 0.35 0.00 0.00 0.43 -0.49 121.76 125.99 1ar1 s ALA 23 Ca -0.08 -1.94 -0.09 0.00 0.00 0.00 0.00 51.96 49.84 1ar1 s ALA 23 Cb -0.14 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 20.98 1ar1 s ALA 23 CO -0.01 -1.37 0.69 0.00 0.00 0.00 0.00 175.76 175.06 1ar1 s ALA 24 N 1.18 3.45 -0.27 0.00 0.00 -0.23 -1.50 121.76 124.38 1ar1 s ALA 24 Ca -0.02 -0.31 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 1ar1 s ALA 24 Cb -0.20 -2.56 0.15 0.00 0.00 0.00 0.00 23.12 20.51 1ar1 s ALA 24 CO -0.03 0.12 1.18 -1.54 0.00 0.00 0.00 175.76 175.49 1ar1 s SER 25 N -3.07 -0.28 0.00 0.00 1.04 -1.07 -4.80 113.70 105.53 1ar1 s SER 25 Ca 0.49 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1ar1 s SER 25 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ar1 s SER 25 CO 0.30 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1ar1 n GLY 26 N 1.66 1.07 3.55 7.32 0.00 -1.24 -1.81 105.19 115.73 1ar1 n GLY 26 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1ar1 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ar1 s PHE 27 N -2.00 -0.29 -1.02 1.61 -0.71 -1.26 -4.40 117.98 109.91 1ar1 s PHE 27 Ca 0.00 0.27 -0.24 0.00 -1.04 0.00 0.00 56.93 55.92 1ar1 s PHE 27 Cb 0.00 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.26 1ar1 s PHE 27 CO 0.00 -0.39 1.93 0.99 -1.34 0.00 0.00 175.22 176.41 1ar1 s THR 28 N -2.41 3.50 0.48 -4.49 2.01 -1.26 -4.74 115.64 108.74 1ar1 s THR 28 Ca 0.05 -0.62 0.31 0.00 0.31 0.00 0.00 61.69 61.73 1ar1 s THR 28 Cb -0.01 -4.27 0.50 0.00 0.01 0.00 0.00 72.50 68.74 1ar1 s THR 28 CO -0.05 -0.99 1.76 0.15 -0.69 0.00 0.00 174.62 174.79 1ar1 h PHE 29 N 10.58 0.28 -0.26 4.92 3.57 -1.96 -0.96 116.94 133.11 1ar1 h PHE 29 Ca 0.15 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1ar1 h PHE 29 Cb 0.98 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1ar1 h PHE 29 CO 1.22 -0.00 0.10 1.03 -2.23 0.00 0.00 178.31 178.43 1ar1 h SER 30 N 0.14 0.31 -0.89 0.41 0.87 -1.85 -3.10 113.55 109.44 1ar1 h SER 30 Ca 0.63 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.63 1ar1 h SER 30 Cb 2.14 -0.08 -0.28 0.00 -0.44 0.00 0.00 62.40 63.74 1ar1 h SER 30 CO -0.15 0.29 0.53 -1.54 -0.53 0.00 0.00 176.83 175.43 1ar1 n SER 31 N -4.43 5.12 -3.97 6.23 3.41 -0.37 -4.70 113.62 114.90 1ar1 n SER 31 Ca 0.01 -3.71 -0.16 0.00 -0.26 0.00 0.00 58.87 54.74 1ar1 n SER 31 Cb 0.12 -0.83 -0.14 0.00 -0.26 0.00 0.00 64.21 63.10 1ar1 n SER 31 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1ar1 s TYR 32 N -3.51 0.52 -0.04 7.33 1.51 -1.17 -5.01 117.35 116.98 1ar1 s TYR 32 Ca 0.58 -0.12 -0.25 0.00 -1.01 0.00 0.00 57.07 56.27 1ar1 s TYR 32 Cb 0.48 -0.33 -0.04 0.00 -0.11 0.00 0.00 41.96 41.96 1ar1 s TYR 32 CO 0.04 -0.01 0.78 0.99 -1.11 0.00 0.00 175.55 176.24 1ar1 s THR 33 N -0.21 4.98 0.17 -0.71 2.01 -1.26 -4.16 115.64 116.46 1ar1 s THR 33 Ca 0.01 1.62 0.09 0.00 0.31 0.00 0.00 61.69 63.72 1ar1 s THR 33 Cb -0.03 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1ar1 s THR 33 CO -0.00 0.24 -0.13 -0.04 -0.69 0.00 0.00 174.62 174.00 1ar1 s MET 34 N 0.78 1.95 0.09 4.92 -1.94 -0.20 -1.72 119.30 123.18 1ar1 s MET 34 Ca 0.41 -1.26 -0.02 0.00 -1.71 0.00 0.00 55.69 53.10 1ar1 s MET 34 Cb -0.19 -2.13 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1ar1 s MET 34 CO 0.21 0.44 0.05 -1.12 -0.01 0.00 0.00 175.02 174.59 1ar1 s SER 35 N -2.65 0.36 -0.16 3.03 0.01 -0.48 -0.99 113.70 112.82 1ar1 s SER 35 Ca 0.23 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.47 1ar1 s SER 35 Cb -0.09 0.26 0.01 0.00 0.21 0.00 0.00 66.02 66.41 1ar1 s SER 35 CO 0.14 -0.68 -0.17 0.26 0.41 0.00 0.00 173.24 173.20 1ar1 s TRP 36 N -3.96 2.77 -0.06 2.43 0.52 0.02 0.16 118.94 120.82 1ar1 s TRP 36 Ca 0.13 -1.24 0.03 0.00 0.02 0.00 0.00 56.10 55.05 1ar1 s TRP 36 Cb 0.07 -1.90 0.01 0.00 -1.15 0.00 0.00 33.47 30.50 1ar1 s TRP 36 CO -0.05 -0.59 -0.14 0.08 0.02 0.00 0.00 176.95 176.27 1ar1 s VAL 37 N 0.97 1.25 0.11 4.03 1.01 0.29 -1.14 120.40 126.93 1ar1 s VAL 37 Ca -0.03 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1ar1 s VAL 37 Cb -0.15 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1ar1 s VAL 37 CO -0.04 0.37 -0.01 0.00 0.00 0.00 0.00 175.10 175.43 1ar1 s ARG 38 N 0.39 2.46 -0.31 2.72 1.70 -0.17 -0.65 118.95 125.10 1ar1 s ARG 38 Ca -0.10 -0.93 0.03 0.00 -0.47 0.00 0.00 55.73 54.26 1ar1 s ARG 38 Cb -0.14 -2.47 0.08 0.00 -0.57 0.00 0.00 34.95 31.86 1ar1 s ARG 38 CO 0.03 0.51 0.00 -1.14 -1.08 0.00 0.00 175.30 173.63 1ar1 s GLN 39 N -2.47 1.85 0.98 3.89 0.74 0.48 -0.13 119.66 124.99 1ar1 s GLN 39 Ca 0.26 -1.65 -0.11 0.00 0.05 0.00 0.00 55.36 53.91 1ar1 s GLN 39 Cb -0.11 -3.13 0.17 0.00 1.10 0.00 0.00 33.01 31.04 1ar1 s GLN 39 CO 0.18 -0.80 1.04 0.25 -0.55 0.00 0.00 175.29 175.41 1ar1 n THR 40 N 4.37 0.00 0.06 -0.34 -2.24 -0.29 -1.56 114.28 114.28 1ar1 n THR 40 Ca -0.04 -0.11 0.18 0.00 -2.27 0.00 0.00 64.05 61.81 1ar1 n THR 40 Cb 0.42 -0.96 0.70 0.00 -2.10 0.00 0.00 70.33 68.39 1ar1 n THR 40 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ar1 h PRO 41 N -2.03 0.00 0.00 -0.78 0.11 -1.91 0.22 132.00 127.61 1ar1 h PRO 41 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ar1 h PRO 41 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ar1 h PRO 41 CO 0.42 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 1ar1 n GLU 42 N -4.31 0.28 -0.92 1.05 4.71 -1.26 -4.87 120.64 115.33 1ar1 n GLU 42 Ca 0.07 0.11 0.00 0.00 -0.01 0.00 0.00 57.16 57.33 1ar1 n GLU 42 Cb 0.51 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.44 1ar1 n GLU 42 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ar1 n LYS 43 N -1.26 0.00 -2.91 3.49 4.76 0.78 -5.04 118.16 117.97 1ar1 n LYS 43 Ca 0.09 0.16 -0.40 0.00 -2.87 0.00 0.00 58.31 55.29 1ar1 n LYS 43 Cb 0.14 -3.08 -0.05 0.00 -1.84 0.00 0.00 35.03 30.19 1ar1 n LYS 43 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1ar1 s ARG 44 N -0.68 4.59 -0.19 1.97 1.81 -1.25 -4.83 118.95 120.38 1ar1 s ARG 44 Ca 0.00 1.21 -0.15 0.00 -1.72 0.00 0.00 55.73 55.07 1ar1 s ARG 44 Cb 0.00 -3.32 -0.04 0.00 -0.45 0.00 0.00 34.95 31.14 1ar1 s ARG 44 CO 0.00 0.40 0.37 -0.51 -0.68 0.00 0.00 175.30 174.88 1ar1 s LEU 45 N -0.56 4.18 -0.06 2.53 1.43 -1.26 -1.14 118.68 123.80 1ar1 s LEU 45 Ca 0.39 0.51 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1ar1 s LEU 45 Cb -0.23 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1ar1 s LEU 45 CO 0.26 -0.03 -0.14 -1.61 0.23 0.00 0.00 176.35 175.06 1ar1 s GLU 46 N 1.08 1.86 0.39 1.70 2.02 0.81 -4.99 118.70 121.58 1ar1 s GLU 46 Ca 0.18 -0.50 -0.27 0.00 0.02 0.00 0.00 54.97 54.41 1ar1 s GLU 46 Cb -0.14 -1.53 -0.09 0.00 0.10 0.00 0.00 34.13 32.47 1ar1 s GLU 46 CO 0.07 0.08 1.34 -0.46 0.02 0.00 0.00 175.26 176.31 1ar1 s TRP 47 N 0.50 2.80 -0.01 1.61 -0.11 -1.26 -0.99 118.94 121.47 1ar1 s TRP 47 Ca -0.13 1.37 -0.00 0.00 1.22 0.00 0.00 56.10 58.55 1ar1 s TRP 47 Cb -0.15 -3.74 -0.01 0.00 -1.50 0.00 0.00 33.47 28.08 1ar1 s TRP 47 CO 0.04 -2.24 -0.02 0.28 -4.62 0.00 0.00 176.95 170.40 1ar1 n VAL 48 N 0.25 0.07 -3.56 5.86 0.31 -0.29 -4.75 118.33 116.23 1ar1 n VAL 48 Ca 0.03 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.20 1ar1 n VAL 48 Cb 0.43 -1.28 -0.06 0.00 -0.91 0.00 0.00 33.84 32.02 1ar1 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ar1 s ALA 49 N -2.02 -1.86 0.05 3.52 0.00 -0.85 -4.12 121.76 116.48 1ar1 s ALA 49 Ca -0.02 1.50 0.05 0.00 0.00 0.00 0.00 51.96 53.49 1ar1 s ALA 49 Cb 0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1ar1 s ALA 49 CO 0.02 -0.33 -0.15 -1.12 0.00 0.00 0.00 175.76 174.18 1ar1 s SER 50 N -1.03 1.83 -0.11 0.00 0.01 -0.52 -0.80 113.70 113.09 1ar1 s SER 50 Ca -0.06 -0.53 -0.05 0.00 1.31 0.00 0.00 55.95 56.62 1ar1 s SER 50 Cb -0.01 -0.10 0.05 0.00 0.21 0.00 0.00 66.02 66.17 1ar1 s SER 50 CO 0.05 0.02 0.25 -0.51 0.41 0.00 0.00 173.24 173.45 1ar1 s ILE 51 N -1.00 -0.04 1.05 1.44 2.07 -0.16 -1.64 121.20 122.92 1ar1 s ILE 51 Ca 0.02 0.14 -0.18 0.00 -1.41 0.00 0.00 60.65 59.22 1ar1 s ILE 51 Cb -0.09 -0.38 0.25 0.00 0.13 0.00 0.00 42.46 42.37 1ar1 s ILE 51 CO 0.02 0.06 1.18 -0.46 -1.91 0.00 0.00 174.94 173.83 1ar1 n ASN 52 N 4.17 -0.85 0.06 4.50 6.94 -1.12 -1.03 115.26 127.92 1ar1 n ASN 52 Ca -0.25 -1.32 -0.15 0.00 -0.02 0.00 0.00 54.58 52.84 1ar1 n ASN 52 Cb 0.53 -0.98 -0.09 0.00 -2.36 0.00 0.00 39.78 36.89 1ar1 n ASN 52 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1ar1 h ASN 53 N -2.12 -1.56 1.43 0.53 2.35 -1.85 -2.60 115.58 111.76 1ar1 h ASN 53 Ca -0.41 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1ar1 h ASN 53 Cb 1.17 0.60 0.00 0.00 0.05 0.00 0.00 38.32 40.14 1ar1 h ASN 53 CO 0.28 -0.51 0.00 1.23 -1.65 0.00 0.00 177.43 176.78 1ar1 h GLY 54 N -0.65 0.00 0.00 2.83 0.00 -1.93 -3.48 103.07 99.85 1ar1 h GLY 54 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ar1 h GLY 54 CO -0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.80 1ar1 n GLY 55 N 0.89 0.48 0.15 4.60 0.00 -0.98 -4.93 105.19 105.41 1ar1 n GLY 55 Ca 0.04 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1ar1 n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ar1 h GLY 56 N 0.00 0.00 -5.34 -0.02 0.00 -1.91 -3.45 103.07 92.35 1ar1 h GLY 56 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 1ar1 h GLY 56 CO 0.00 0.00 -0.87 0.50 0.00 0.00 0.00 176.54 176.17 1ar1 s ARG 57 N -3.07 3.05 0.06 4.80 0.52 -1.26 -5.08 118.95 117.97 1ar1 s ARG 57 Ca 0.03 -0.87 0.06 0.00 -0.52 0.00 0.00 55.73 54.43 1ar1 s ARG 57 Cb 0.07 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 1ar1 s ARG 57 CO 0.74 0.19 -0.17 0.95 0.02 0.00 0.00 175.30 177.03 1ar1 s THR 58 N 0.32 1.39 -0.05 0.02 -4.23 -1.26 -2.77 115.64 109.05 1ar1 s THR 58 Ca -0.18 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.15 1ar1 s THR 58 Cb -0.18 -1.25 0.01 0.00 1.34 0.00 0.00 72.50 72.42 1ar1 s THR 58 CO 0.09 0.02 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.76 1ar1 s TYR 59 N -0.95 1.26 0.02 3.99 2.02 -0.65 -4.98 117.35 118.05 1ar1 s TYR 59 Ca 0.04 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 1ar1 s TYR 59 Cb -0.09 -0.92 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1ar1 s TYR 59 CO 0.02 -0.19 -0.02 0.71 -1.57 0.00 0.00 175.55 174.49 1ar1 s TYR 60 N 0.45 0.21 0.52 2.71 2.02 -1.26 -1.43 117.35 120.56 1ar1 s TYR 60 Ca -0.09 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.02 1ar1 s TYR 60 Cb -0.13 -0.15 -0.07 0.00 -0.40 0.00 0.00 41.96 41.21 1ar1 s TYR 60 CO 0.02 -0.15 1.01 -2.14 -1.57 0.00 0.00 175.55 172.73 1ar1 s PRO 61 N -1.13 3.77 0.61 -1.71 0.02 -1.26 -4.83 135.00 130.47 1ar1 s PRO 61 Ca -0.12 1.15 0.41 0.00 0.02 0.00 0.00 61.00 62.45 1ar1 s PRO 61 Cb -0.08 -2.10 2.22 0.00 0.02 0.00 0.00 34.50 34.55 1ar1 s PRO 61 CO -0.01 -0.43 2.25 -0.44 -0.33 0.00 0.00 177.00 178.04 1ar1 h ASP 62 N 1.08 0.00 -0.81 2.53 3.32 -1.97 -1.24 116.42 119.32 1ar1 h ASP 62 Ca -0.48 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.60 1ar1 h ASP 62 Cb 1.20 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 1ar1 h ASP 62 CO 0.60 0.00 0.52 0.71 -1.72 0.00 0.00 179.24 179.35 1ar1 h THR 63 N 0.00 1.12 -0.04 0.35 1.35 -1.97 -3.19 112.91 110.54 1ar1 h THR 63 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1ar1 h THR 63 Cb 0.01 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.45 1ar1 h THR 63 CO 0.00 0.18 0.00 1.33 -0.25 0.00 0.00 175.52 176.78 1ar1 n VAL 64 N -4.58 0.17 -1.70 6.82 0.24 -0.68 -4.99 118.33 113.62 1ar1 n VAL 64 Ca 0.10 -0.59 -0.44 0.00 -2.04 0.00 0.00 64.34 61.37 1ar1 n VAL 64 Cb 0.09 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 1ar1 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1ar1 n LYS 65 N 0.29 2.53 0.00 7.34 4.81 -0.56 -1.41 118.16 131.17 1ar1 n LYS 65 Ca 0.04 0.91 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1ar1 n LYS 65 Cb 0.19 -2.74 0.00 0.00 0.02 0.00 0.00 35.03 32.50 1ar1 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ar1 n GLY 66 N 3.80 2.60 0.28 3.14 0.00 -1.26 -4.77 105.19 108.98 1ar1 n GLY 66 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1ar1 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ar1 n ARG 67 N -2.00 0.48 -3.28 1.61 1.74 -0.64 -5.00 116.66 109.57 1ar1 n ARG 67 Ca 0.00 0.19 -0.26 0.00 -0.77 0.00 0.00 57.85 57.01 1ar1 n ARG 67 Cb 0.00 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.11 1ar1 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ar1 s PHE 68 N -2.41 3.50 -0.25 -1.55 0.40 -0.50 -2.58 117.98 114.58 1ar1 s PHE 68 Ca -0.31 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1ar1 s PHE 68 Cb 0.11 -2.03 0.12 0.00 0.51 0.00 0.00 43.02 41.73 1ar1 s PHE 68 CO 0.41 0.11 0.30 0.99 0.70 0.00 0.00 175.22 177.72 1ar1 s THR 69 N -2.25 -0.45 0.34 0.64 2.01 -0.56 -4.88 115.64 110.49 1ar1 s THR 69 Ca 0.42 -0.25 -0.15 0.00 0.31 0.00 0.00 61.69 62.02 1ar1 s THR 69 Cb -0.10 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.47 1ar1 s THR 69 CO 0.34 -0.29 0.77 -0.51 -0.69 0.00 0.00 174.62 174.24 1ar1 s ILE 70 N 2.41 4.66 0.21 1.82 2.07 -1.26 -1.26 121.20 129.84 1ar1 s ILE 70 Ca 0.10 0.98 -0.22 0.00 -1.41 0.00 0.00 60.65 60.09 1ar1 s ILE 70 Cb -0.15 -3.62 0.05 0.00 0.13 0.00 0.00 42.46 38.87 1ar1 s ILE 70 CO -0.22 -0.24 0.67 -0.94 -1.91 0.00 0.00 174.94 172.30 1ar1 s SER 71 N -2.36 -0.42 0.08 4.50 1.04 -0.85 -4.98 113.70 110.71 1ar1 s SER 71 Ca 0.55 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.63 1ar1 s SER 71 Cb -0.10 0.65 -0.01 0.00 0.10 0.00 0.00 66.02 66.66 1ar1 s SER 71 CO 0.18 -1.12 0.15 0.00 0.98 0.00 0.00 173.24 173.44 1ar1 s ARG 72 N -3.79 0.81 -0.29 4.02 1.70 -1.26 -0.70 118.95 119.44 1ar1 s ARG 72 Ca 0.06 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1ar1 s ARG 72 Cb -0.03 0.32 0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1ar1 s ARG 72 CO -0.04 -0.25 0.11 0.34 -1.08 0.00 0.00 175.30 174.38 1ar1 s ASP 73 N -2.88 3.69 0.56 -2.89 -1.08 -0.42 -5.00 116.67 108.66 1ar1 s ASP 73 Ca 0.06 -1.40 0.35 0.00 -0.52 0.00 0.00 52.55 51.03 1ar1 s ASP 73 Cb 0.05 -0.60 1.57 0.00 -1.46 0.00 0.00 42.92 42.48 1ar1 s ASP 73 CO -0.10 -0.42 2.06 0.78 0.52 0.00 0.00 175.17 178.01 1ar1 h ASN 74 N 8.25 0.00 0.02 -0.34 2.35 -1.95 -0.26 115.58 123.65 1ar1 h ASN 74 Ca -0.17 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.36 1ar1 h ASN 74 Cb 1.02 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.41 1ar1 h ASN 74 CO 0.44 0.03 -0.90 0.00 -1.65 0.00 0.00 177.43 175.36 1ar1 h ALA 75 N 1.97 0.08 -0.08 -0.83 0.00 -1.95 -3.29 119.26 115.16 1ar1 h ALA 75 Ca -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1ar1 h ALA 75 Cb 0.41 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ar1 h ALA 75 CO 0.00 0.55 0.00 1.63 0.00 0.00 0.00 179.25 181.43 1ar1 n LYS 76 N -3.99 1.95 -3.63 0.00 5.02 -1.05 -4.95 118.16 111.50 1ar1 n LYS 76 Ca -0.11 -1.39 -0.27 0.00 -2.02 0.00 0.00 58.31 54.52 1ar1 n LYS 76 Cb 0.82 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.38 1ar1 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ar1 n ASN 77 N 0.66 -4.64 -4.16 4.39 4.13 -0.15 -4.89 115.26 110.60 1ar1 n ASN 77 Ca 0.17 -0.60 -0.19 0.00 1.68 0.00 0.00 54.58 55.64 1ar1 n ASN 77 Cb 0.45 -3.75 -0.13 0.00 -1.54 0.00 0.00 39.78 34.81 1ar1 n ASN 77 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ar1 s THR 78 N -3.17 1.13 -0.07 3.41 -4.23 -0.95 -1.07 115.64 110.69 1ar1 s THR 78 Ca 0.54 -1.18 0.03 0.00 -1.18 0.00 0.00 61.69 59.90 1ar1 s THR 78 Cb -0.27 -1.06 -0.02 0.00 1.34 0.00 0.00 72.50 72.49 1ar1 s THR 78 CO 0.67 -0.12 -0.16 -0.22 -0.54 0.00 0.00 174.62 174.25 1ar1 s LEU 79 N -1.47 2.61 0.24 4.79 2.96 0.36 -1.30 118.68 126.87 1ar1 s LEU 79 Ca -0.00 -0.28 0.11 0.00 -0.22 0.00 0.00 54.13 53.73 1ar1 s LEU 79 Cb -0.09 -1.54 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1ar1 s LEU 79 CO 0.02 0.28 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.83 1ar1 s TYR 80 N -0.36 2.11 -0.26 5.38 2.02 0.12 0.36 117.35 126.72 1ar1 s TYR 80 Ca 0.03 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1ar1 s TYR 80 Cb -0.12 -0.95 0.10 0.00 -0.40 0.00 0.00 41.96 40.58 1ar1 s TYR 80 CO 0.02 0.57 0.17 -1.17 -1.57 0.00 0.00 175.55 173.57 1ar1 s LEU 81 N -3.28 0.27 -0.61 -1.29 2.96 -0.86 -2.01 118.68 113.86 1ar1 s LEU 81 Ca 0.26 -0.96 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 1ar1 s LEU 81 Cb -0.04 -0.06 0.05 0.00 0.50 0.00 0.00 46.19 46.64 1ar1 s LEU 81 CO 0.12 -0.40 0.97 -1.58 -1.32 0.00 0.00 176.35 174.14 1ar1 s GLN 82 N 2.19 3.23 0.07 1.98 2.00 -0.39 -1.58 119.66 127.17 1ar1 s GLN 82 Ca 0.08 -0.49 -0.16 0.00 -2.00 0.00 0.00 55.36 52.79 1ar1 s GLN 82 Cb -0.15 -4.13 -0.06 0.00 0.80 0.00 0.00 33.01 29.46 1ar1 s GLN 82 CO -0.29 -1.66 0.50 -1.64 -0.50 0.00 0.00 175.29 171.70 1ar1 s MET 83 N 4.12 4.02 0.06 1.67 -1.94 0.11 -1.50 119.30 125.83 1ar1 s MET 83 Ca 0.27 0.53 -0.07 0.00 -1.71 0.00 0.00 55.69 54.71 1ar1 s MET 83 Cb -0.14 -3.13 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 1ar1 s MET 83 CO 0.15 0.61 0.15 -1.54 -0.01 0.00 0.00 175.02 174.37 1ar1 s SER 84 N -1.31 0.14 -1.54 3.03 1.04 -1.07 -1.47 113.70 112.53 1ar1 s SER 84 Ca 0.30 -0.56 -0.14 0.00 0.48 0.00 0.00 55.95 56.03 1ar1 s SER 84 Cb -0.17 0.28 0.09 0.00 0.10 0.00 0.00 66.02 66.32 1ar1 s SER 84 CO 0.17 -0.60 0.91 -1.20 0.98 0.00 0.00 173.24 173.50 1ar1 n SER 85 N 0.42 -4.61 -4.51 7.02 7.64 -1.17 -4.71 113.62 113.71 1ar1 n SER 85 Ca -0.17 -0.76 -0.33 0.00 1.01 0.00 0.00 58.87 58.61 1ar1 n SER 85 Cb 0.60 -3.70 0.12 0.00 -1.01 0.00 0.00 64.21 60.22 1ar1 n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ar1 n LEU 86 N -4.55 1.30 -3.95 -3.43 4.77 -0.86 -4.47 117.00 105.81 1ar1 n LEU 86 Ca 0.04 0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1ar1 n LEU 86 Cb 0.52 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.26 1ar1 n LEU 86 CO 0.74 -2.99 0.17 -1.59 -1.33 0.00 0.00 177.39 172.39 1ar1 s LYS 87 N -3.70 1.47 0.29 3.23 0.00 -1.26 -0.29 119.74 119.48 1ar1 s LYS 87 Ca 0.63 -1.17 0.04 0.00 0.00 0.00 0.00 55.97 55.46 1ar1 s LYS 87 Cb -0.25 0.47 0.73 0.00 0.00 0.00 0.00 37.83 38.78 1ar1 s LYS 87 CO 0.61 -0.60 1.70 0.77 0.00 0.00 0.00 175.35 177.83 1ar1 h SER 88 N 2.28 0.36 -0.94 0.03 0.02 -1.97 0.21 113.55 113.54 1ar1 h SER 88 Ca -0.27 0.15 0.17 0.00 -0.84 0.00 0.00 61.79 61.00 1ar1 h SER 88 Cb 1.25 0.12 -0.08 0.00 0.14 0.00 0.00 62.40 63.83 1ar1 h SER 88 CO 0.37 0.01 0.60 -0.33 -1.14 0.00 0.00 176.83 176.35 1ar1 h GLU 89 N 0.42 0.65 0.00 3.45 3.07 -1.96 -1.62 114.58 118.58 1ar1 h GLU 89 Ca 0.56 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 1ar1 h GLU 89 Cb 1.06 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ar1 h GLU 89 CO -0.52 0.43 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.05 1ar1 h ASP 90 N 0.67 0.00 -2.62 1.42 3.32 -0.99 -3.44 116.42 114.78 1ar1 h ASP 90 Ca 0.50 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 57.02 1ar1 h ASP 90 Cb 0.88 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.45 1ar1 h ASP 90 CO -0.26 0.03 1.06 0.28 -1.72 0.00 0.00 179.24 178.63 1ar1 s THR 91 N -3.72 3.08 0.02 0.35 -1.32 -0.61 -4.88 115.64 108.57 1ar1 s THR 91 Ca 0.01 0.42 -0.28 0.00 -1.21 0.00 0.00 61.69 60.63 1ar1 s THR 91 Cb 0.09 -3.27 0.10 0.00 -1.51 0.00 0.00 72.50 67.91 1ar1 s THR 91 CO 0.55 -0.01 1.24 0.00 -2.21 0.00 0.00 174.62 174.18 1ar1 s ALA 92 N 3.14 -2.25 -0.21 11.08 0.00 -0.55 -4.42 121.76 128.54 1ar1 s ALA 92 Ca 0.76 0.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 1ar1 s ALA 92 Cb -0.40 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1ar1 s ALA 92 CO 0.33 -1.12 0.59 1.41 0.00 0.00 0.00 175.76 176.97 1ar1 s MET 93 N -2.13 4.18 -0.22 0.00 -2.45 -0.60 -1.73 119.30 116.35 1ar1 s MET 93 Ca 0.25 0.52 -0.09 0.00 -1.25 0.00 0.00 55.69 55.12 1ar1 s MET 93 Cb -0.00 -3.59 -0.04 0.00 1.25 0.00 0.00 34.83 32.44 1ar1 s MET 93 CO -0.00 -0.25 0.11 0.71 1.05 0.00 0.00 175.02 176.64 1ar1 s TYR 94 N 1.96 3.28 -0.04 4.11 1.51 -0.30 -0.39 117.35 127.48 1ar1 s TYR 94 Ca 0.26 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.50 1ar1 s TYR 94 Cb -0.16 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 1ar1 s TYR 94 CO 0.10 0.08 -0.22 0.71 -1.11 0.00 0.00 175.55 175.10 1ar1 s TYR 95 N 0.79 2.47 -0.14 2.71 2.02 0.18 -0.87 117.35 124.51 1ar1 s TYR 95 Ca 0.06 -0.44 -0.07 0.00 -0.37 0.00 0.00 57.07 56.25 1ar1 s TYR 95 Cb -0.13 -1.57 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 1ar1 s TYR 95 CO 0.02 -0.03 0.13 0.00 -1.57 0.00 0.00 175.55 174.10 1ar1 s VAL 97 N -0.70 1.56 -0.11 0.00 -7.23 0.12 -1.13 120.40 112.91 1ar1 s VAL 97 Ca 0.13 -2.15 -0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1ar1 s VAL 97 Cb -0.12 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.83 1ar1 s VAL 97 CO 0.03 -0.63 -0.09 -0.60 -0.31 0.00 0.00 175.10 173.49 1ar1 s ARG 98 N -3.64 3.17 -0.05 4.82 3.00 -0.65 -1.38 118.95 124.21 1ar1 s ARG 98 Ca 0.20 -0.61 -0.05 0.00 -1.00 0.00 0.00 55.73 54.28 1ar1 s ARG 98 Cb 0.00 -2.66 -0.04 0.00 0.00 0.00 0.00 34.95 32.25 1ar1 s ARG 98 CO 0.05 0.40 0.18 -1.01 0.00 0.00 0.00 175.30 174.92 1ar1 s HIS 99 N -0.11 3.58 0.13 5.12 3.76 -0.70 -2.74 115.29 124.32 1ar1 s HIS 99 Ca 0.00 0.46 -0.16 0.00 -0.15 0.00 0.00 55.06 55.21 1ar1 s HIS 99 Cb -0.13 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.69 1ar1 s HIS 99 CO 0.03 0.68 0.40 -2.00 -0.85 0.00 0.00 174.74 173.00 1ar1 s GLU 100 N -1.54 1.08 -1.09 1.40 2.56 -1.15 -4.47 118.70 115.49 1ar1 s GLU 100 Ca 0.22 -0.74 -0.12 0.00 0.00 0.00 0.00 54.97 54.33 1ar1 s GLU 100 Cb -0.12 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.43 1ar1 s GLU 100 CO 0.12 -0.42 0.87 0.66 -0.56 0.00 0.00 175.26 175.93 1ar1 n TYR 101 N -0.22 -2.23 0.00 5.30 4.01 -1.26 -1.71 117.16 121.05 1ar1 n TYR 101 Ca -0.15 0.68 0.00 0.00 -0.16 0.00 0.00 57.90 58.27 1ar1 n TYR 101 Cb 0.64 -3.84 0.00 0.00 -0.31 0.00 0.00 39.34 35.83 1ar1 n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ar1 n TYR 102 N -3.65 0.00 -1.28 -0.72 4.01 -1.26 -2.57 117.16 111.70 1ar1 n TYR 102 Ca -0.08 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.74 1ar1 n TYR 102 Cb 0.61 0.00 0.15 0.00 -0.31 0.00 0.00 39.34 39.79 1ar1 n TYR 102 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1ar1 n TYR 103 N 0.00 0.00 -1.10 -0.72 4.01 -1.26 -4.91 117.16 113.19 1ar1 n TYR 103 Ca 0.00 -1.07 -0.29 0.00 -0.16 0.00 0.00 57.90 56.37 1ar1 n TYR 103 Cb 0.00 -0.17 0.22 0.00 -0.31 0.00 0.00 39.34 39.08 1ar1 n TYR 103 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ar1 s ALA 104 N -2.78 0.68 -0.33 -0.72 0.00 -0.70 -4.85 121.76 113.06 1ar1 s ALA 104 Ca 0.32 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1ar1 s ALA 104 Cb 0.29 -2.98 0.11 0.00 0.00 0.00 0.00 23.12 20.54 1ar1 s ALA 104 CO -0.00 -3.33 0.12 -1.64 0.00 0.00 0.00 175.76 170.91 1ar1 s MET 105 N -5.21 0.78 0.36 0.00 1.00 -1.26 -2.95 119.30 112.03 1ar1 s MET 105 Ca 0.69 -1.21 0.21 0.00 0.00 0.00 0.00 55.69 55.37 1ar1 s MET 105 Cb -0.14 -2.01 0.21 0.00 0.00 0.00 0.00 34.83 32.90 1ar1 s MET 105 CO 0.57 -1.02 1.48 0.38 0.00 0.00 0.00 175.02 176.43 1ar1 h ASP 106 N 7.85 0.00 -3.35 3.03 2.03 -1.83 -3.45 116.42 120.70 1ar1 h ASP 106 Ca -0.11 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.74 1ar1 h ASP 106 Cb 1.00 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 39.15 1ar1 h ASP 106 CO 0.46 0.16 -0.78 -0.31 -1.03 0.00 0.00 179.24 177.74 1ar1 s TYR 107 N -3.15 0.96 -0.03 4.15 2.02 -1.25 -5.05 117.35 115.00 1ar1 s TYR 107 Ca 0.05 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 1ar1 s TYR 107 Cb 0.06 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1ar1 s TYR 107 CO 0.71 -0.30 -0.17 -1.58 -1.57 0.00 0.00 175.55 172.65 1ar1 s TRP 108 N 1.28 2.62 1.14 2.71 0.52 -1.26 -1.64 118.94 124.31 1ar1 s TRP 108 Ca -0.05 -0.21 -0.19 0.00 0.02 0.00 0.00 56.10 55.67 1ar1 s TRP 108 Cb -0.14 -1.59 0.28 0.00 -1.15 0.00 0.00 33.47 30.88 1ar1 s TRP 108 CO -0.02 0.16 1.03 0.41 0.02 0.00 0.00 176.95 178.55 1ar1 n GLY 109 N 2.23 -2.71 0.18 0.98 0.00 -0.29 -4.76 105.19 100.82 1ar1 n GLY 109 Ca -0.17 -1.50 0.05 0.00 0.00 0.00 0.00 46.02 44.40 1ar1 n GLY 109 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ar1 h GLN 110 N 0.00 0.00 0.00 1.61 7.50 -1.91 -3.46 115.11 118.85 1ar1 h GLN 110 Ca -0.39 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.76 1ar1 h GLN 110 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1ar1 h GLN 110 CO 0.25 0.41 0.00 0.41 -1.50 0.00 0.00 178.83 178.40 1ar1 n GLY 111 N 0.54 0.30 2.90 3.46 0.00 -1.26 -5.04 105.19 106.08 1ar1 n GLY 111 Ca 0.00 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 1ar1 n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ar1 s THR 112 N -2.04 0.68 0.20 2.61 -1.32 -0.05 -4.89 115.64 110.82 1ar1 s THR 112 Ca 0.00 -0.16 -0.30 0.00 -1.21 0.00 0.00 61.69 60.02 1ar1 s THR 112 Cb 0.00 -0.70 -0.08 0.00 -1.51 0.00 0.00 72.50 70.21 1ar1 s THR 112 CO 0.00 0.27 0.94 -0.89 -2.21 0.00 0.00 174.62 172.73 1ar1 s THR 113 N 1.15 4.21 -0.15 5.08 2.01 -1.26 -1.15 115.64 125.52 1ar1 s THR 113 Ca -0.07 2.07 0.00 0.00 0.31 0.00 0.00 61.69 64.00 1ar1 s THR 113 Cb -0.14 -4.32 0.02 0.00 0.01 0.00 0.00 72.50 68.07 1ar1 s THR 113 CO -0.01 0.45 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 1ar1 s VAL 114 N -0.83 1.57 -0.13 3.82 1.01 -0.70 -2.36 120.40 122.78 1ar1 s VAL 114 Ca 0.43 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ar1 s VAL 114 Cb -0.25 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1ar1 s VAL 114 CO 0.31 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.82 1ar1 s THR 115 N 1.47 2.71 -0.34 3.92 2.01 -0.71 -1.48 115.64 123.23 1ar1 s THR 115 Ca 0.05 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.28 1ar1 s THR 115 Cb -0.13 -2.12 0.09 0.00 0.01 0.00 0.00 72.50 70.35 1ar1 s THR 115 CO -0.10 0.53 0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 1ar1 s VAL 116 N 0.43 2.69 0.40 3.82 1.01 -1.26 -0.18 120.40 127.30 1ar1 s VAL 116 Ca -0.12 -1.95 0.03 0.00 0.00 0.00 0.00 61.98 59.94 1ar1 s VAL 116 Cb -0.16 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1ar1 s VAL 116 CO 0.06 -0.43 0.11 -1.20 0.00 0.00 0.00 175.10 173.64 1ar1 n SER 117 N 4.45 1.59 -0.80 3.32 7.64 -0.85 -4.48 113.62 124.49 1ar1 n SER 117 Ca -0.04 -3.04 0.10 0.00 1.01 0.00 0.00 58.87 56.90 1ar1 n SER 117 Cb 0.42 0.85 0.08 0.00 -1.01 0.00 0.00 64.21 64.55 1ar1 n SER 117 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79