#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 n SER 2 N 0.00 -5.07 -0.05 1.61 7.64 -1.26 -4.95 113.62 111.54 2dm3 n SER 2 Ca 0.00 -0.56 -0.03 0.00 1.01 0.00 0.00 58.87 59.29 2dm3 n SER 2 Cb 0.00 -5.07 -0.01 0.00 -1.01 0.00 0.00 64.21 58.12 2dm3 n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dm3 h SER 3 N -2.47 0.00 0.00 6.43 0.87 -2.13 -3.48 113.55 112.77 2dm3 h SER 3 Ca -0.58 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 2dm3 h SER 3 Cb 1.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dm3 h SER 3 CO 0.54 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.99 2dm3 n GLY 4 N 1.69 2.49 2.76 5.77 0.00 -1.26 -5.01 105.19 111.64 2dm3 n GLY 4 Ca -0.04 -0.55 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 2dm3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm3 n SER 5 N 2.10 -0.29 -3.69 1.61 3.41 -1.26 -4.96 113.62 110.54 2dm3 n SER 5 Ca 0.00 0.92 -0.11 0.00 -0.26 0.00 0.00 58.87 59.42 2dm3 n SER 5 Cb 0.00 -0.74 -0.10 0.00 -0.26 0.00 0.00 64.21 63.11 2dm3 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dm3 s SER 6 N -0.23 -0.59 0.00 4.04 0.15 -1.26 -5.16 113.70 110.65 2dm3 s SER 6 Ca 0.66 1.03 0.00 0.00 0.70 0.00 0.00 55.95 58.35 2dm3 s SER 6 Cb -0.93 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2dm3 s SER 6 CO 0.45 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.31 2dm3 n GLY 7 N 3.76 1.45 3.07 9.45 0.00 -1.26 -4.79 105.19 116.87 2dm3 n GLY 7 Ca -0.19 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 2dm3 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dm3 s PHE 8 N -2.00 1.48 0.36 1.61 0.08 -1.24 -4.87 117.98 113.40 2dm3 s PHE 8 Ca 0.00 -0.46 -0.28 0.00 0.12 0.00 0.00 56.93 56.31 2dm3 s PHE 8 Cb 0.00 -1.03 -0.12 0.00 -0.57 0.00 0.00 43.02 41.30 2dm3 s PHE 8 CO 0.00 -0.19 1.36 -2.13 -0.10 0.00 0.00 175.22 174.15 2dm3 n ARG 9 N 3.40 2.29 -2.10 0.44 0.63 -1.26 -3.40 116.66 116.66 2dm3 n ARG 9 Ca -0.20 0.80 -0.43 0.00 -0.92 0.00 0.00 57.85 57.11 2dm3 n ARG 9 Cb 0.53 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 30.96 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dm3 s PRO 10 N -2.00 3.50 -0.05 -0.14 0.04 -1.26 -4.48 135.00 130.61 2dm3 s PRO 10 Ca 0.55 1.40 -0.02 0.00 0.04 0.00 0.00 61.00 62.97 2dm3 s PRO 10 Cb -0.53 -4.12 0.04 0.00 0.04 0.00 0.00 34.50 29.93 2dm3 s PRO 10 CO 0.62 -1.65 0.12 -1.58 0.04 0.00 0.00 177.00 174.55 2dm3 s HIS 11 N 6.16 -0.11 -0.53 0.56 2.46 -1.19 -4.16 115.29 118.47 2dm3 s HIS 11 Ca 0.74 0.40 -0.28 0.00 0.47 0.00 0.00 55.06 56.39 2dm3 s HIS 11 Cb -0.21 -0.14 0.01 0.00 -0.13 0.00 0.00 32.58 32.11 2dm3 s HIS 11 CO 0.32 -0.15 1.46 -0.06 -2.47 0.00 0.00 174.74 173.84 2dm3 s PHE 12 N 1.22 2.24 0.07 3.88 0.08 -1.26 -2.18 117.98 122.03 2dm3 s PHE 12 Ca -0.08 0.53 -0.21 0.00 0.12 0.00 0.00 56.93 57.28 2dm3 s PHE 12 Cb -0.12 -4.35 -0.11 0.00 -0.57 0.00 0.00 43.02 37.87 2dm3 s PHE 12 CO -0.05 -2.04 1.57 -0.07 -0.10 0.00 0.00 175.22 174.53 2dm3 h LEU 13 N 13.20 0.22 -7.88 -0.37 3.38 -1.52 -3.41 115.31 118.94 2dm3 h LEU 13 Ca -0.27 -0.22 -0.64 0.00 0.09 0.00 0.00 57.88 56.85 2dm3 h LEU 13 Cb 1.10 -0.06 -0.36 0.00 0.09 0.00 0.00 40.66 41.43 2dm3 h LEU 13 CO 1.16 0.38 -0.82 -1.58 0.09 0.00 0.00 178.44 177.67 2dm3 s GLN 14 N -5.34 2.32 0.03 1.13 0.74 -1.23 -5.02 119.66 112.28 2dm3 s GLN 14 Ca -0.14 -0.91 0.07 0.00 0.05 0.00 0.00 55.36 54.43 2dm3 s GLN 14 Cb 0.06 -2.51 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 2dm3 s GLN 14 CO 0.70 -0.38 -0.19 0.00 -0.55 0.00 0.00 175.29 174.86 2dm3 s ALA 15 N 1.33 1.64 1.21 1.58 0.00 -1.26 -2.35 121.76 123.91 2dm3 s ALA 15 Ca -0.01 -0.99 -0.17 0.00 0.00 0.00 0.00 51.96 50.79 2dm3 s ALA 15 Cb -0.16 -0.33 0.26 0.00 0.00 0.00 0.00 23.12 22.89 2dm3 s ALA 15 CO -0.09 0.37 0.91 -0.35 0.00 0.00 0.00 175.76 176.60 2dm3 n PRO 16 N 1.97 -2.81 0.00 0.00 -0.04 -1.26 -5.08 135.00 127.78 2dm3 n PRO 16 Ca -0.17 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 2dm3 n PRO 16 Cb 0.54 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N -3.59 5.32 3.55 0.55 0.00 -1.26 -4.98 105.19 104.78 2dm3 n GLY 17 Ca 0.13 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dm3 s ASP 18 N 1.04 6.43 0.26 1.61 1.11 -1.26 -4.15 116.67 121.72 2dm3 s ASP 18 Ca 0.00 -0.06 0.08 0.00 0.18 0.00 0.00 52.55 52.76 2dm3 s ASP 18 Cb 0.00 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 2dm3 s ASP 18 CO 0.00 -1.18 0.08 -0.76 1.18 0.00 0.00 175.17 174.49 2dm3 s LEU 19 N 4.00 3.45 -0.07 1.23 1.02 -1.20 -5.00 118.68 122.11 2dm3 s LEU 19 Ca 0.36 -0.48 -0.01 0.00 0.02 0.00 0.00 54.13 54.02 2dm3 s LEU 19 Cb -0.11 -1.98 0.03 0.00 0.02 0.00 0.00 46.19 44.15 2dm3 s LEU 19 CO 0.24 -0.01 -0.01 -0.89 0.02 0.00 0.00 176.35 175.70 2dm3 s THR 20 N -2.24 0.41 0.03 5.49 2.01 -1.26 -0.97 115.64 119.12 2dm3 s THR 20 Ca 0.32 0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.41 2dm3 s THR 20 Cb -0.07 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 2dm3 s THR 20 CO 0.22 0.26 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 2dm3 s VAL 21 N 1.79 0.48 0.41 3.82 1.01 -0.60 -5.02 120.40 122.28 2dm3 s VAL 21 Ca 0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2dm3 s VAL 21 Cb -0.13 -0.54 -0.07 0.00 0.00 0.00 0.00 36.38 35.64 2dm3 s VAL 21 CO -0.05 -0.33 0.80 -1.58 0.00 0.00 0.00 175.10 173.94 2dm3 s GLN 22 N -1.37 3.84 0.07 2.72 0.74 -1.26 -1.76 119.66 122.65 2dm3 s GLN 22 Ca -0.09 0.58 -0.31 0.00 0.05 0.00 0.00 55.36 55.59 2dm3 s GLN 22 Cb -0.09 -2.36 -0.09 0.00 1.10 0.00 0.00 33.01 31.57 2dm3 s GLN 22 CO 0.00 -0.04 1.74 -2.00 -0.55 0.00 0.00 175.29 174.45 2dm3 s GLU 23 N -3.73 4.17 0.00 1.67 2.12 0.13 -1.85 118.70 121.22 2dm3 s GLU 23 Ca 0.53 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.29 2dm3 s GLU 23 Cb -0.10 -3.69 0.00 0.00 0.26 0.00 0.00 34.13 30.60 2dm3 s GLU 23 CO 0.29 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.62 2dm3 n GLY 24 N 4.14 0.83 3.96 -1.50 0.00 0.73 -4.51 105.19 108.84 2dm3 n GLY 24 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -0.77 2.49 -0.14 1.61 -0.14 -0.77 -4.66 119.74 117.37 2dm3 s LYS 25 Ca 0.00 -1.58 -0.22 0.00 -1.36 0.00 0.00 55.97 52.80 2dm3 s LYS 25 Cb 0.00 -2.49 -0.03 0.00 -1.68 0.00 0.00 37.83 33.63 2dm3 s LYS 25 CO 0.00 -0.47 0.68 -1.17 -0.76 0.00 0.00 175.35 173.63 2dm3 s LEU 26 N -4.36 4.23 -0.31 3.17 1.98 -1.26 -3.32 118.68 118.81 2dm3 s LEU 26 Ca 0.51 1.03 0.01 0.00 -2.89 0.00 0.00 54.13 52.79 2dm3 s LEU 26 Cb -0.05 -3.01 0.09 0.00 0.66 0.00 0.00 46.19 43.88 2dm3 s LEU 26 CO 0.31 -0.21 0.05 0.00 -1.89 0.00 0.00 176.35 174.61 2dm3 s ARG 28 N 1.29 2.94 0.02 0.00 1.70 -1.26 -0.23 118.95 123.40 2dm3 s ARG 28 Ca 0.07 -0.85 0.01 0.00 -0.47 0.00 0.00 55.73 54.49 2dm3 s ARG 28 Cb -0.18 -2.67 -0.01 0.00 -0.57 0.00 0.00 34.95 31.51 2dm3 s ARG 28 CO -0.15 0.49 -0.03 -1.64 -1.08 0.00 0.00 175.30 172.89 2dm3 s MET 29 N -3.11 0.27 -0.06 3.89 -1.94 -0.82 -4.97 119.30 112.55 2dm3 s MET 29 Ca 0.31 -0.42 0.03 0.00 -1.71 0.00 0.00 55.69 53.91 2dm3 s MET 29 Cb -0.10 -0.03 0.00 0.00 2.01 0.00 0.00 34.83 36.71 2dm3 s MET 29 CO 0.24 -0.00 -0.16 0.16 -0.01 0.00 0.00 175.02 175.24 2dm3 s ASP 30 N -0.94 2.11 -0.13 3.03 1.47 -1.26 -3.07 116.67 117.87 2dm3 s ASP 30 Ca -0.09 -0.35 -0.06 0.00 1.18 0.00 0.00 52.55 53.23 2dm3 s ASP 30 Cb -0.06 -0.78 0.05 0.00 -0.34 0.00 0.00 42.92 41.79 2dm3 s ASP 30 CO -0.00 0.11 0.30 0.00 0.68 0.00 0.00 175.17 176.25 2dm3 s LYS 32 N 1.58 2.79 -0.07 0.00 2.20 -0.99 -1.65 119.74 123.60 2dm3 s LYS 32 Ca -0.07 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.73 2dm3 s LYS 32 Cb -0.10 -2.32 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 2dm3 s LYS 32 CO -0.10 0.36 -0.07 0.54 -0.36 0.00 0.00 175.35 175.71 2dm3 s VAL 33 N -0.07 0.82 0.42 4.02 0.11 -1.26 -1.16 120.40 123.27 2dm3 s VAL 33 Ca -0.05 -0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 58.69 2dm3 s VAL 33 Cb -0.14 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2dm3 s VAL 33 CO 0.04 0.30 0.71 -0.55 -3.33 0.00 0.00 175.10 172.28 2dm3 s SER 34 N 1.05 6.34 0.00 3.54 0.15 -0.93 -4.80 113.70 119.05 2dm3 s SER 34 Ca -0.08 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.43 2dm3 s SER 34 Cb -0.14 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2dm3 s SER 34 CO -0.00 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2dm3 n GLY 35 N -1.84 3.94 2.76 9.45 0.00 -1.26 -3.20 105.19 115.03 2dm3 n GLY 35 Ca -0.00 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 2dm3 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm3 s LEU 36 N 0.00 0.69 0.00 0.99 2.96 -1.22 -3.77 118.68 118.33 2dm3 s LEU 36 Ca 0.00 -0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2dm3 s LEU 36 Cb 0.00 -0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.46 2dm3 s LEU 36 CO 0.00 -0.17 0.11 -0.81 -1.32 0.00 0.00 176.35 174.16 2dm3 n PRO 37 N 4.78 -1.24 -1.69 0.98 -0.04 -1.26 -3.73 135.00 132.80 2dm3 n PRO 37 Ca -0.14 -0.18 -0.56 0.00 -0.04 0.00 0.00 63.50 62.58 2dm3 n PRO 37 Cb 0.50 -0.17 -0.07 0.00 -0.04 0.00 0.00 33.50 33.72 2dm3 n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2dm3 n THR 38 N -2.75 0.24 -2.18 0.52 -1.04 -1.25 -4.76 114.28 103.05 2dm3 n THR 38 Ca 0.02 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 2dm3 n THR 38 Cb 0.06 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dm3 s PRO 39 N 2.89 4.28 -0.33 -2.82 0.04 -1.26 -4.92 135.00 132.88 2dm3 s PRO 39 Ca 0.96 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 63.81 2dm3 s PRO 39 Cb -1.05 -3.50 -0.00 0.00 0.04 0.00 0.00 34.50 29.99 2dm3 s PRO 39 CO 0.62 -0.56 0.67 -0.51 0.04 0.00 0.00 177.00 177.26 2dm3 s ASP 40 N 1.76 6.50 0.29 6.66 1.11 -1.03 -4.84 116.67 127.11 2dm3 s ASP 40 Ca 0.65 0.35 0.11 0.00 0.18 0.00 0.00 52.55 53.84 2dm3 s ASP 40 Cb -0.33 -2.35 -0.05 0.00 1.07 0.00 0.00 42.92 41.26 2dm3 s ASP 40 CO 0.28 -0.57 -0.18 -1.48 1.18 0.00 0.00 175.17 174.41 2dm3 s LEU 41 N 2.74 2.62 -0.01 1.23 2.34 -1.26 -0.75 118.68 125.59 2dm3 s LEU 41 Ca 0.26 -1.06 0.02 0.00 0.06 0.00 0.00 54.13 53.41 2dm3 s LEU 41 Cb -0.14 -1.07 -0.00 0.00 -0.56 0.00 0.00 46.19 44.42 2dm3 s LEU 41 CO 0.14 -0.02 -0.06 -0.55 -1.06 0.00 0.00 176.35 174.80 2dm3 s SER 42 N -3.52 0.78 0.13 1.48 0.15 -1.22 -4.96 113.70 106.53 2dm3 s SER 42 Ca 0.30 -0.12 -0.28 0.00 0.70 0.00 0.00 55.95 56.55 2dm3 s SER 42 Cb -0.03 -0.13 -0.07 0.00 -1.71 0.00 0.00 66.02 64.08 2dm3 s SER 42 CO 0.15 0.06 0.88 0.26 1.20 0.00 0.00 173.24 175.79 2dm3 s TRP 43 N -0.03 3.84 0.02 3.44 0.52 -1.26 -3.33 118.94 122.14 2dm3 s TRP 43 Ca 0.01 1.72 0.04 0.00 0.02 0.00 0.00 56.10 57.88 2dm3 s TRP 43 Cb -0.04 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.33 2dm3 s TRP 43 CO -0.00 0.32 -0.12 -0.65 0.02 0.00 0.00 176.95 176.52 2dm3 s GLN 44 N -0.42 0.84 -0.19 4.98 -0.21 0.27 -2.53 119.66 122.40 2dm3 s GLN 44 Ca 0.42 -0.57 -0.01 0.00 0.02 0.00 0.00 55.36 55.22 2dm3 s GLN 44 Cb -0.23 -0.81 0.05 0.00 1.00 0.00 0.00 33.01 33.02 2dm3 s GLN 44 CO 0.28 0.21 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.47 2dm3 s LEU 45 N -0.74 1.64 -1.28 2.90 2.96 0.11 -1.57 118.68 122.70 2dm3 s LEU 45 Ca 0.02 -0.81 -0.02 0.00 -0.22 0.00 0.00 54.13 53.09 2dm3 s LEU 45 Cb -0.06 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.80 2dm3 s LEU 45 CO 0.00 -0.24 0.17 0.47 -1.32 0.00 0.00 176.35 175.44 2dm3 n ASP 46 N 4.90 -4.49 -0.69 3.68 8.00 -1.17 -1.98 116.55 124.79 2dm3 n ASP 46 Ca -0.11 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.38 2dm3 n ASP 46 Cb 0.47 -3.75 0.00 0.00 -0.02 0.00 0.00 41.12 37.82 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dm3 n GLY 47 N -1.00 0.64 3.48 0.44 0.00 -1.26 -5.09 105.19 102.40 2dm3 n GLY 47 Ca -0.13 -0.47 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 2dm3 n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dm3 s LYS 48 N -3.65 0.74 -0.71 1.61 -2.85 -0.84 -5.10 119.74 108.93 2dm3 s LYS 48 Ca 0.00 0.68 -0.26 0.00 -1.00 0.00 0.00 55.97 55.39 2dm3 s LYS 48 Cb 0.00 0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 36.09 2dm3 s LYS 48 CO 0.00 -0.12 1.89 -1.25 0.10 0.00 0.00 175.35 175.97 2dm3 s PRO 49 N 0.01 2.60 0.27 1.78 0.04 -1.26 0.09 135.00 138.53 2dm3 s PRO 49 Ca -0.02 0.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 2dm3 s PRO 49 Cb -0.04 -4.62 -0.10 0.00 0.04 0.00 0.00 34.50 29.78 2dm3 s PRO 49 CO 0.02 -2.96 1.30 0.54 0.04 0.00 0.00 177.00 175.94 2dm3 s VAL 50 N 9.45 2.96 0.17 -0.36 0.11 -1.05 -4.96 120.40 126.73 2dm3 s VAL 50 Ca 0.68 0.88 0.11 0.00 -2.93 0.00 0.00 61.98 60.73 2dm3 s VAL 50 Cb -0.11 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 2dm3 s VAL 50 CO 0.13 0.18 -0.23 0.00 -3.33 0.00 0.00 175.10 171.84 2dm3 s ARG 51 N -1.01 1.54 -0.34 1.54 1.04 -1.26 -4.76 118.95 115.71 2dm3 s ARG 51 Ca 0.52 -1.45 -0.29 0.00 -1.04 0.00 0.00 55.73 53.48 2dm3 s ARG 51 Cb -0.38 -1.89 -0.01 0.00 -2.04 0.00 0.00 34.95 30.62 2dm3 s ARG 51 CO 0.45 0.42 1.69 -1.25 -0.04 0.00 0.00 175.30 176.57 2dm3 s PRO 52 N -2.52 3.44 0.47 3.89 0.04 -1.26 -4.79 135.00 134.26 2dm3 s PRO 52 Ca 0.19 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.62 2dm3 s PRO 52 Cb -0.09 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.28 2dm3 s PRO 52 CO 0.09 -1.73 0.06 0.34 0.04 0.00 0.00 177.00 175.80 2dm3 s ASP 53 N 5.39 4.11 0.38 6.66 2.15 0.35 -4.94 116.67 130.78 2dm3 s ASP 53 Ca 0.75 -1.46 0.23 0.00 0.43 0.00 0.00 52.55 52.50 2dm3 s ASP 53 Cb -0.21 0.07 1.35 0.00 -0.30 0.00 0.00 42.92 43.82 2dm3 s ASP 53 CO 0.33 -0.69 1.53 -1.20 -0.17 0.00 0.00 175.17 174.97 2dm3 n SER 54 N -1.19 0.31 -0.08 -0.34 7.64 -1.26 -1.39 113.62 117.31 2dm3 n SER 54 Ca -0.11 1.55 -0.12 0.00 1.01 0.00 0.00 58.87 61.21 2dm3 n SER 54 Cb 0.67 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 2dm3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dm3 h ALA 55 N 1.85 0.10 -1.79 -0.43 0.00 -1.90 -3.44 119.26 113.65 2dm3 h ALA 55 Ca 0.83 -0.74 -0.56 0.00 0.00 0.00 0.00 54.91 54.44 2dm3 h ALA 55 Cb 2.32 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 20.58 2dm3 h ALA 55 CO -0.68 0.52 0.95 -1.01 0.00 0.00 0.00 179.25 179.02 2dm3 s HIS 56 N -2.23 2.78 -0.17 0.00 3.76 -0.48 -1.03 115.29 117.91 2dm3 s HIS 56 Ca -0.19 0.80 -0.01 0.00 -0.15 0.00 0.00 55.06 55.50 2dm3 s HIS 56 Cb 0.03 -4.25 -0.01 0.00 1.11 0.00 0.00 32.58 29.47 2dm3 s HIS 56 CO 0.37 -1.37 -0.12 0.21 -0.85 0.00 0.00 174.74 172.99 2dm3 s LYS 57 N 4.40 3.30 0.03 1.40 2.20 0.72 0.13 119.74 131.92 2dm3 s LYS 57 Ca 0.51 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 2dm3 s LYS 57 Cb -0.10 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 2dm3 s LYS 57 CO 0.29 -0.00 0.08 -1.64 -0.36 0.00 0.00 175.35 173.72 2dm3 s MET 58 N 0.90 3.01 0.11 4.03 -1.94 -1.26 -0.43 119.30 123.71 2dm3 s MET 58 Ca -0.03 -0.56 0.05 0.00 -1.71 0.00 0.00 55.69 53.45 2dm3 s MET 58 Cb -0.15 -2.81 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 2dm3 s MET 58 CO -0.00 0.62 -0.14 -0.51 -0.01 0.00 0.00 175.02 174.97 2dm3 s LEU 59 N -1.99 2.37 -0.05 -0.03 1.02 -0.63 -4.99 118.68 114.38 2dm3 s LEU 59 Ca 0.25 -0.76 -0.02 0.00 0.02 0.00 0.00 54.13 53.62 2dm3 s LEU 59 Cb -0.12 -0.52 0.03 0.00 0.02 0.00 0.00 46.19 45.60 2dm3 s LEU 59 CO 0.17 -0.14 0.06 -0.69 0.02 0.00 0.00 176.35 175.78 2dm3 s VAL 60 N -1.94 -0.11 0.50 -1.59 1.01 -1.26 -3.17 120.40 113.84 2dm3 s VAL 60 Ca 0.06 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 2dm3 s VAL 60 Cb -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 2dm3 s VAL 60 CO 0.02 0.15 0.92 -0.13 0.00 0.00 0.00 175.10 176.06 2dm3 s ARG 61 N 2.17 3.80 0.00 2.72 3.00 -1.10 -4.92 118.95 124.62 2dm3 s ARG 61 Ca 0.05 0.72 0.05 0.00 0.00 0.00 0.00 55.73 56.55 2dm3 s ARG 61 Cb -0.12 -2.21 0.24 0.00 0.00 0.00 0.00 34.95 32.85 2dm3 s ARG 61 CO -0.03 -0.26 1.08 -0.85 0.00 0.00 0.00 175.30 175.24 2dm3 n GLU 62 N -1.78 0.04 -0.11 3.54 0.28 -1.26 -1.90 120.64 119.45 2dm3 n GLU 62 Ca 0.05 0.33 -0.17 0.00 -0.16 0.00 0.00 57.16 57.20 2dm3 n GLU 62 Cb 0.54 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.78 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dm3 n ASN 63 N -1.39 1.75 0.00 -1.84 3.02 -1.26 -5.03 115.26 110.51 2dm3 n ASN 63 Ca 0.02 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2dm3 n ASN 63 Cb 0.05 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm3 n GLY 64 N 2.16 3.48 3.65 7.41 0.00 -0.80 -4.97 105.19 116.12 2dm3 n GLY 64 Ca -0.42 -0.48 -0.64 0.00 0.00 0.00 0.00 46.02 44.48 2dm3 n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dm3 n VAL 65 N 0.00 0.01 -3.98 1.61 0.31 -1.26 -4.55 118.33 110.47 2dm3 n VAL 65 Ca 0.00 -0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 2dm3 n VAL 65 Cb 0.00 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 2dm3 n VAL 65 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dm3 s HIS 66 N 1.76 3.40 -0.17 3.52 3.76 -0.66 -2.72 115.29 124.18 2dm3 s HIS 66 Ca 0.99 0.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.87 2dm3 s HIS 66 Cb -1.39 -1.62 0.06 0.00 1.11 0.00 0.00 32.58 30.74 2dm3 s HIS 66 CO 0.71 0.51 0.41 -1.12 -0.85 0.00 0.00 174.74 174.41 2dm3 s SER 67 N -3.26 -0.51 -0.29 1.40 0.01 -1.19 -2.00 113.70 107.85 2dm3 s SER 67 Ca 0.34 0.89 -0.05 0.00 1.31 0.00 0.00 55.95 58.44 2dm3 s SER 67 Cb -0.11 0.79 0.02 0.00 0.21 0.00 0.00 66.02 66.94 2dm3 s SER 67 CO 0.27 -0.19 0.05 -0.22 0.41 0.00 0.00 173.24 173.56 2dm3 s LEU 68 N 1.24 3.80 -0.24 2.44 2.96 -1.18 -1.61 118.68 126.10 2dm3 s LEU 68 Ca -0.08 -0.89 -0.05 0.00 -0.22 0.00 0.00 54.13 52.88 2dm3 s LEU 68 Cb -0.08 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 2dm3 s LEU 68 CO -0.11 -0.21 0.00 -0.63 -1.32 0.00 0.00 176.35 174.08 2dm3 s ILE 69 N 1.41 3.67 -0.24 6.68 1.01 0.42 -1.95 121.20 132.21 2dm3 s ILE 69 Ca 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 2dm3 s ILE 69 Cb -0.18 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2dm3 s ILE 69 CO 0.01 0.33 0.07 -0.63 0.00 0.00 0.00 174.94 174.72 2dm3 s ILE 70 N 1.51 4.44 -0.29 2.92 1.01 0.68 -0.20 121.20 131.26 2dm3 s ILE 70 Ca 0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2dm3 s ILE 70 Cb -0.15 -3.06 0.13 0.00 0.01 0.00 0.00 42.46 39.38 2dm3 s ILE 70 CO -0.01 0.35 0.76 -0.70 0.00 0.00 0.00 174.94 175.35 2dm3 s GLU 71 N 1.41 0.52 0.52 2.79 -6.30 -0.20 -1.97 118.70 115.47 2dm3 s GLU 71 Ca 0.05 1.18 -0.09 0.00 -2.50 0.00 0.00 54.97 53.61 2dm3 s GLU 71 Cb -0.15 0.55 0.13 0.00 0.00 0.00 0.00 34.13 34.66 2dm3 s GLU 71 CO 0.04 -0.16 0.46 -0.35 0.02 0.00 0.00 175.26 175.27 2dm3 n PRO 72 N 4.94 -1.91 -5.18 4.30 -0.04 -1.26 -4.14 135.00 131.70 2dm3 n PRO 72 Ca -0.14 -0.73 -0.32 0.00 -0.04 0.00 0.00 63.50 62.27 2dm3 n PRO 72 Cb 0.53 -0.69 -0.17 0.00 -0.04 0.00 0.00 33.50 33.13 2dm3 n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dm3 s VAL 73 N -1.83 2.17 0.26 0.52 1.01 -1.21 -4.83 120.40 116.50 2dm3 s VAL 73 Ca 0.30 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2dm3 s VAL 73 Cb -0.03 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2dm3 s VAL 73 CO 0.23 0.56 0.06 0.28 0.00 0.00 0.00 175.10 176.23 2dm3 s THR 74 N 0.22 0.79 0.09 3.92 -1.32 -1.26 -0.19 115.64 117.89 2dm3 s THR 74 Ca -0.15 -2.00 0.20 0.00 -1.21 0.00 0.00 61.69 58.53 2dm3 s THR 74 Cb -0.17 -2.59 0.20 0.00 -1.51 0.00 0.00 72.50 68.43 2dm3 s THR 74 CO 0.07 -0.09 1.55 0.77 -2.21 0.00 0.00 174.62 174.72 2dm3 h SER 75 N 2.36 0.00 0.14 8.08 4.64 -1.96 0.13 113.55 126.94 2dm3 h SER 75 Ca -0.39 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.74 2dm3 h SER 75 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2dm3 h SER 75 CO 0.64 0.00 -0.72 -0.09 -0.87 0.00 0.00 176.83 175.78 2dm3 h ARG 76 N 0.00 0.51 0.00 4.77 2.43 -2.01 -2.95 114.38 117.13 2dm3 h ARG 76 Ca 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 2dm3 h ARG 76 Cb 0.41 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2dm3 h ARG 76 CO 0.00 1.04 0.00 0.38 -1.51 0.00 0.00 179.97 179.88 2dm3 h ASP 77 N 0.36 0.00 -3.07 -3.80 2.03 -1.13 -3.42 116.42 107.39 2dm3 h ASP 77 Ca -0.03 0.00 -0.57 0.00 -0.73 0.00 0.00 57.03 55.70 2dm3 h ASP 77 Cb 1.31 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.76 2dm3 h ASP 77 CO 0.13 0.00 0.96 0.00 -1.03 0.00 0.00 179.24 179.30 2dm3 s ALA 78 N -3.51 3.44 0.00 4.15 0.00 -1.12 -4.91 121.76 119.81 2dm3 s ALA 78 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2dm3 s ALA 78 Cb 0.09 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2dm3 s ALA 78 CO 0.47 -1.62 0.00 0.41 0.00 0.00 0.00 175.76 175.01 2dm3 n GLY 79 N 4.15 -1.32 3.42 0.00 0.00 -1.26 -5.04 105.19 105.14 2dm3 n GLY 79 Ca 0.15 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -2.78 4.79 -0.42 -0.61 -1.09 -1.26 -3.57 121.20 116.26 2dm3 s ILE 80 Ca 0.00 -0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 2dm3 s ILE 80 Cb 0.00 -4.41 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 2dm3 s ILE 80 CO 0.00 -0.99 0.90 -0.31 -1.23 0.00 0.00 174.94 173.31 2dm3 s TYR 81 N 2.83 3.00 0.05 3.97 2.02 -1.17 -3.04 117.35 125.00 2dm3 s TYR 81 Ca 0.15 0.51 0.06 0.00 -0.37 0.00 0.00 57.07 57.42 2dm3 s TYR 81 Cb -0.20 -3.78 -0.03 0.00 -0.40 0.00 0.00 41.96 37.55 2dm3 s TYR 81 CO 0.10 -0.96 -0.15 0.99 -1.57 0.00 0.00 175.55 173.96 2dm3 s THR 82 N 3.55 3.04 0.09 -0.71 2.01 -0.61 -3.14 115.64 119.87 2dm3 s THR 82 Ca 0.36 -1.13 0.03 0.00 0.31 0.00 0.00 61.69 61.26 2dm3 s THR 82 Cb -0.11 -2.32 -0.03 0.00 0.01 0.00 0.00 72.50 70.05 2dm3 s THR 82 CO 0.22 0.31 -0.09 0.00 -0.69 0.00 0.00 174.62 174.37 2dm3 s ILE 84 N -2.40 0.50 -0.44 0.00 1.09 -1.21 -2.70 121.20 116.03 2dm3 s ILE 84 Ca 0.04 -0.96 -0.23 0.00 -1.10 0.00 0.00 60.65 58.40 2dm3 s ILE 84 Cb -0.03 -1.28 0.02 0.00 -1.06 0.00 0.00 42.46 40.12 2dm3 s ILE 84 CO -0.01 -0.54 0.77 0.00 -0.10 0.00 0.00 174.94 175.06 2dm3 s ALA 85 N 1.83 3.30 -0.28 9.38 0.00 0.11 -3.40 121.76 132.69 2dm3 s ALA 85 Ca 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2dm3 s ALA 85 Cb -0.17 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.51 2dm3 s ALA 85 CO -0.23 -1.89 0.04 0.99 0.00 0.00 0.00 175.76 174.68 2dm3 s THR 86 N 3.24 3.67 0.32 0.00 2.01 0.07 -1.01 115.64 123.95 2dm3 s THR 86 Ca 0.29 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.59 2dm3 s THR 86 Cb -0.12 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2dm3 s THR 86 CO 0.22 0.10 -0.06 0.21 -0.69 0.00 0.00 174.62 174.40 2dm3 s ASN 87 N 1.45 4.02 0.64 3.53 2.47 0.10 -2.45 114.94 124.70 2dm3 s ASN 87 Ca 0.02 -0.99 0.23 0.00 0.42 0.00 0.00 52.86 52.54 2dm3 s ASN 87 Cb -0.17 -0.49 1.18 0.00 -1.45 0.00 0.00 41.25 40.31 2dm3 s ASN 87 CO 0.01 -0.13 1.66 -0.09 -3.72 0.00 0.00 177.10 174.82 2dm3 h ARG 88 N 1.96 0.00 0.00 0.43 9.65 -1.86 -1.59 114.38 122.97 2dm3 h ARG 88 Ca -0.42 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 2dm3 h ARG 88 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 2dm3 h ARG 88 CO 0.65 0.00 -0.11 0.00 2.80 0.00 0.00 179.97 183.31 2dm3 h ALA 89 N 1.00 0.00 -3.00 2.80 0.00 -1.83 -3.51 119.26 114.72 2dm3 h ALA 89 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dm3 h ALA 89 Cb 1.30 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2dm3 h ALA 89 CO -0.00 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2dm3 n GLY 90 N 1.75 3.79 3.35 0.00 0.00 -0.60 -4.96 105.19 108.52 2dm3 n GLY 90 Ca -0.02 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 3.03 0.72 0.17 1.61 0.74 -1.26 0.01 119.66 124.68 2dm3 s GLN 91 Ca 0.00 0.21 -0.10 0.00 0.05 0.00 0.00 55.36 55.52 2dm3 s GLN 91 Cb 0.00 0.34 -0.01 0.00 1.10 0.00 0.00 33.01 34.44 2dm3 s GLN 91 CO 0.00 -0.18 0.30 1.21 -0.55 0.00 0.00 175.29 176.07 2dm3 s ASN 92 N -0.76 0.02 0.17 6.67 2.47 -0.18 -4.91 114.94 118.43 2dm3 s ASN 92 Ca -0.08 -0.84 -0.14 0.00 0.42 0.00 0.00 52.86 52.21 2dm3 s ASN 92 Cb -0.03 0.45 0.02 0.00 -1.45 0.00 0.00 41.25 40.23 2dm3 s ASN 92 CO 0.04 -0.91 0.43 -0.55 -3.72 0.00 0.00 177.10 172.39 2dm3 s SER 93 N -2.96 -0.16 0.04 -4.21 0.15 -1.26 0.07 113.70 105.37 2dm3 s SER 93 Ca 0.17 -0.58 -0.18 0.00 0.70 0.00 0.00 55.95 56.06 2dm3 s SER 93 Cb 0.03 0.51 0.03 0.00 -1.71 0.00 0.00 66.02 64.89 2dm3 s SER 93 CO -0.00 -0.97 0.40 0.72 1.20 0.00 0.00 173.24 174.60 2dm3 s PHE 94 N -3.89 -0.26 0.32 3.44 -0.12 -1.10 -5.00 117.98 111.38 2dm3 s PHE 94 Ca 0.10 0.22 0.09 0.00 -0.05 0.00 0.00 56.93 57.29 2dm3 s PHE 94 Cb 0.01 0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 2dm3 s PHE 94 CO -0.04 -0.56 0.03 -1.54 -0.05 0.00 0.00 175.22 173.06 2dm3 s SER 95 N -1.98 4.35 0.14 1.98 1.04 -1.26 -2.87 113.70 115.09 2dm3 s SER 95 Ca -0.05 -0.86 -0.24 0.00 0.48 0.00 0.00 55.95 55.28 2dm3 s SER 95 Cb -0.01 -0.64 0.07 0.00 0.10 0.00 0.00 66.02 65.54 2dm3 s SER 95 CO -0.02 -0.18 0.61 -1.48 0.98 0.00 0.00 173.24 173.14 2dm3 s LEU 96 N -3.73 -0.57 -0.04 2.42 0.05 -1.19 -5.00 118.68 110.61 2dm3 s LEU 96 Ca 0.34 0.05 0.05 0.00 0.05 0.00 0.00 54.13 54.62 2dm3 s LEU 96 Cb -0.02 2.59 -0.01 0.00 -2.05 0.00 0.00 46.19 46.70 2dm3 s LEU 96 CO 0.20 -0.94 -0.19 -0.70 -0.55 0.00 0.00 176.35 174.17 2dm3 s GLU 97 N -3.56 1.93 -0.23 1.48 2.12 -1.26 -3.07 118.70 116.11 2dm3 s GLU 97 Ca 0.00 -0.68 0.01 0.00 0.36 0.00 0.00 54.97 54.67 2dm3 s GLU 97 Cb -0.01 -1.68 0.06 0.00 0.26 0.00 0.00 34.13 32.76 2dm3 s GLU 97 CO -0.11 0.28 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.63 2dm3 s LEU 98 N -0.04 2.77 -0.09 2.70 2.96 -1.23 -3.28 118.68 122.47 2dm3 s LEU 98 Ca -0.03 -1.17 -0.22 0.00 -0.22 0.00 0.00 54.13 52.49 2dm3 s LEU 98 Cb -0.12 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2dm3 s LEU 98 CO 0.02 -0.20 0.65 -0.69 -1.32 0.00 0.00 176.35 174.82 2dm3 s VAL 99 N 1.30 5.07 -0.07 1.68 1.01 -0.14 -4.03 120.40 125.23 2dm3 s VAL 99 Ca -0.06 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.28 2dm3 s VAL 99 Cb -0.18 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2dm3 s VAL 99 CO -0.06 0.25 -0.15 -0.69 0.00 0.00 0.00 175.10 174.45 2dm3 s VAL 100 N 0.88 1.31 -0.31 2.92 1.01 -1.26 -1.56 120.40 123.39 2dm3 s VAL 100 Ca 0.35 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 2dm3 s VAL 100 Cb -0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2dm3 s VAL 100 CO 0.16 0.39 0.17 0.00 0.00 0.00 0.00 175.10 175.82 2dm3 s ALA 101 N 0.55 3.34 0.31 5.51 0.00 -0.72 -4.94 121.76 125.81 2dm3 s ALA 101 Ca -0.14 -1.32 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 2dm3 s ALA 101 Cb -0.16 -2.42 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 2dm3 s ALA 101 CO 0.04 -0.82 1.23 0.00 0.00 0.00 0.00 175.76 176.21 2dm3 n ALA 102 N 5.01 0.85 -0.03 0.00 0.00 -1.26 -0.69 120.51 124.39 2dm3 n ALA 102 Ca -0.14 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.54 2dm3 n ALA 102 Cb 0.50 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.66 2dm3 n ALA 102 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dm3 h LYS 103 N 2.64 0.19 -4.40 0.00 3.64 -1.95 -3.44 116.57 113.26 2dm3 h LYS 103 Ca -0.44 -0.12 -0.19 0.00 -1.27 0.00 0.00 60.65 58.63 2dm3 h LYS 103 Cb 1.30 0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 32.99 2dm3 h LYS 103 CO 0.64 0.70 -0.59 -1.21 -2.27 0.00 0.00 179.45 176.72 2dm3 s GLU 104 N -4.00 1.05 0.00 1.90 0.41 -1.26 -5.06 118.70 111.74 2dm3 s GLU 104 Ca -0.15 -1.46 0.00 0.00 -0.41 0.00 0.00 54.97 52.94 2dm3 s GLU 104 Cb 0.03 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.65 2dm3 s GLU 104 CO 0.72 -0.32 0.00 0.43 -0.49 0.00 0.00 175.26 175.60 2dm3 n SER 105 N -0.16 2.01 -3.26 -0.19 7.64 -1.26 -5.08 113.62 113.31 2dm3 n SER 105 Ca -0.03 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.65 2dm3 n SER 105 Cb 0.64 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 64.00 2dm3 n SER 105 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dm3 n GLY 106 N 3.03 -1.99 2.28 0.23 0.00 -1.26 -5.06 105.19 102.41 2dm3 n GLY 106 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.23 2dm3 n GLY 106 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dm3 n PRO 107 N -3.32 -2.41 -3.99 1.61 -0.04 -1.26 -5.10 135.00 120.49 2dm3 n PRO 107 Ca 0.11 -1.14 -0.08 0.00 -0.04 0.00 0.00 63.50 62.35 2dm3 n PRO 107 Cb 0.40 -1.07 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 2dm3 n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dm3 s SER 108 N -3.42 0.25 -0.41 3.54 0.01 -1.26 -5.13 113.70 107.28 2dm3 s SER 108 Ca 0.46 -0.89 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 2dm3 s SER 108 Cb -0.05 0.30 0.07 0.00 0.21 0.00 0.00 66.02 66.56 2dm3 s SER 108 CO 0.35 -0.72 0.25 -0.55 0.41 0.00 0.00 173.24 172.99 2dm3 s SER 109 N -2.93 5.65 0.00 2.44 0.15 -1.26 -5.31 113.70 112.45 2dm3 s SER 109 Ca 0.11 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.35 2dm3 s SER 109 Cb 0.06 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2dm3 s SER 109 CO -0.07 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.47