#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 3.02 -4.40 1.61 2.88 -1.26 -4.77 113.62 110.70 2dm3 n SER 2 Ca 0.00 1.06 -0.52 0.00 -1.33 0.00 0.00 58.87 58.08 2dm3 n SER 2 Cb 0.00 -1.39 -0.08 0.00 -0.75 0.00 0.00 64.21 61.99 2dm3 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dm3 n SER 3 N 4.04 1.79 0.00 -3.46 2.88 -1.26 -2.81 113.62 114.80 2dm3 n SER 3 Ca 0.18 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2dm3 n SER 3 Cb 0.28 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2dm3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm3 n GLY 4 N 6.75 1.29 3.56 0.46 0.00 -1.26 -5.05 105.19 110.94 2dm3 n GLY 4 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 2dm3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm3 s SER 5 N -2.00 5.06 -0.69 1.61 0.15 -1.12 -4.87 113.70 111.84 2dm3 s SER 5 Ca 0.00 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2dm3 s SER 5 Cb 0.00 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.93 2dm3 s SER 5 CO 0.00 -2.74 0.48 -0.55 1.20 0.00 0.00 173.24 171.63 2dm3 s SER 6 N 8.38 4.90 0.00 5.45 0.15 -1.26 -5.04 113.70 126.28 2dm3 s SER 6 Ca 0.72 -3.61 0.00 0.00 0.70 0.00 0.00 55.95 53.76 2dm3 s SER 6 Cb -0.09 -1.69 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 2dm3 s SER 6 CO 0.06 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dm3 n GLY 7 N 2.34 0.94 3.14 9.45 0.00 -1.26 -4.65 105.19 115.14 2dm3 n GLY 7 Ca 0.16 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 2.74 0.18 1.61 0.08 -1.24 -4.87 117.98 114.49 2dm3 s PHE 8 Ca 0.00 -1.55 -0.28 0.00 0.12 0.00 0.00 56.93 55.22 2dm3 s PHE 8 Cb 0.00 -1.88 -0.17 0.00 -0.57 0.00 0.00 43.02 40.40 2dm3 s PHE 8 CO 0.00 -0.74 0.55 -2.13 -0.10 0.00 0.00 175.22 172.79 2dm3 n ARG 9 N 4.44 0.00 -2.08 0.44 0.63 -1.26 -3.60 116.66 115.23 2dm3 n ARG 9 Ca -0.21 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.30 2dm3 n ARG 9 Cb 0.50 -1.01 -0.03 0.00 0.45 0.00 0.00 32.46 32.38 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 -0.89 3.24 -0.04 -0.14 0.04 -1.26 -4.50 135.00 131.46 2dm3 s PRO 10 Ca 0.64 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2dm3 s PRO 10 Cb -0.93 -4.20 -0.01 0.00 0.04 0.00 0.00 34.50 29.40 2dm3 s PRO 10 CO 0.54 -1.97 -0.19 -1.58 0.04 0.00 0.00 177.00 173.84 2dm3 s HIS 11 N 7.03 1.85 -0.54 0.56 2.46 -1.05 -4.25 115.29 121.35 2dm3 s HIS 11 Ca 0.74 -0.47 -0.23 0.00 0.47 0.00 0.00 55.06 55.57 2dm3 s HIS 11 Cb -0.19 -1.22 0.05 0.00 -0.13 0.00 0.00 32.58 31.09 2dm3 s HIS 11 CO 0.31 -0.12 0.88 -0.06 -2.47 0.00 0.00 174.74 173.27 2dm3 s PHE 12 N -0.18 2.85 0.13 3.88 0.08 -1.26 -0.60 117.98 122.88 2dm3 s PHE 12 Ca 0.00 -0.13 -0.23 0.00 0.12 0.00 0.00 56.93 56.69 2dm3 s PHE 12 Cb -0.10 -3.96 -0.03 0.00 -0.57 0.00 0.00 43.02 38.35 2dm3 s PHE 12 CO 0.01 -1.29 1.66 -0.07 -0.10 0.00 0.00 175.22 175.43 2dm3 h LEU 13 N 10.71 -0.57 -7.36 -0.37 3.38 -1.26 -3.42 115.31 116.42 2dm3 h LEU 13 Ca -0.26 0.09 -0.36 0.00 0.09 0.00 0.00 57.88 57.44 2dm3 h LEU 13 Cb 1.08 0.25 -0.38 0.00 0.09 0.00 0.00 40.66 41.70 2dm3 h LEU 13 CO 1.06 -0.24 -0.74 -1.10 0.09 0.00 0.00 178.44 177.51 2dm3 s GLN 14 N -6.11 -0.05 0.16 1.13 -0.21 -1.24 -5.00 119.66 108.33 2dm3 s GLN 14 Ca -0.15 0.33 0.09 0.00 0.02 0.00 0.00 55.36 55.66 2dm3 s GLN 14 Cb 0.10 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.60 2dm3 s GLN 14 CO 0.67 -0.30 -0.13 0.00 -2.12 0.00 0.00 175.29 173.41 2dm3 s ALA 15 N 1.94 2.84 1.20 6.09 0.00 -1.26 -2.50 121.76 130.08 2dm3 s ALA 15 Ca 0.02 -1.44 -0.19 0.00 0.00 0.00 0.00 51.96 50.35 2dm3 s ALA 15 Cb -0.12 -0.69 0.28 0.00 0.00 0.00 0.00 23.12 22.60 2dm3 s ALA 15 CO -0.03 0.51 1.11 -1.25 0.00 0.00 0.00 175.76 176.09 2dm3 s PRO 16 N -2.60 -1.20 0.00 0.00 0.04 -1.26 -5.08 135.00 124.90 2dm3 s PRO 16 Ca 0.23 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2dm3 s PRO 16 Cb -0.09 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2dm3 s PRO 16 CO 0.13 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 173.88 2dm3 n GLY 17 N -0.94 4.43 3.53 0.56 0.00 -1.26 -4.92 105.19 106.60 2dm3 n GLY 17 Ca 0.13 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.08 6.18 0.19 1.61 -4.77 -1.26 -3.65 116.67 116.06 2dm3 s ASP 18 Ca 0.00 -0.33 0.09 0.00 -3.30 0.00 0.00 52.55 49.01 2dm3 s ASP 18 Cb 0.00 -2.20 -0.04 0.00 -1.09 0.00 0.00 42.92 39.59 2dm3 s ASP 18 CO 0.00 -0.39 -0.18 -0.76 0.70 0.00 0.00 175.17 174.54 2dm3 s LEU 19 N 2.03 2.49 -0.06 2.11 1.02 -1.22 -5.01 118.68 120.03 2dm3 s LEU 19 Ca 0.12 -0.92 0.03 0.00 0.02 0.00 0.00 54.13 53.37 2dm3 s LEU 19 Cb -0.17 -0.87 0.01 0.00 0.02 0.00 0.00 46.19 45.18 2dm3 s LEU 19 CO 0.12 -0.04 -0.15 -0.89 0.02 0.00 0.00 176.35 175.41 2dm3 s THR 20 N -2.28 1.34 -0.04 5.49 2.01 -1.26 -0.49 115.64 120.41 2dm3 s THR 20 Ca 0.20 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 2dm3 s THR 20 Cb -0.05 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.30 2dm3 s THR 20 CO 0.08 0.40 0.04 -0.69 -0.69 0.00 0.00 174.62 173.76 2dm3 s VAL 21 N 0.45 0.01 0.04 3.82 1.01 -0.80 -5.01 120.40 119.92 2dm3 s VAL 21 Ca -0.12 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.85 2dm3 s VAL 21 Cb -0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 36.38 35.95 2dm3 s VAL 21 CO 0.04 0.17 1.56 -1.58 0.00 0.00 0.00 175.10 175.30 2dm3 s GLN 22 N 1.80 4.23 0.15 2.72 0.74 -1.26 -2.95 119.66 125.08 2dm3 s GLN 22 Ca 0.01 2.20 -0.21 0.00 0.05 0.00 0.00 55.36 57.40 2dm3 s GLN 22 Cb -0.12 -3.59 -0.13 0.00 1.10 0.00 0.00 33.01 30.27 2dm3 s GLN 22 CO -0.03 -0.68 0.39 -1.91 -0.55 0.00 0.00 175.29 172.51 2dm3 n GLU 23 N 5.52 0.00 -2.15 1.67 2.13 0.10 -1.93 120.64 125.98 2dm3 n GLU 23 Ca 0.15 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.91 2dm3 n GLU 23 Cb 0.42 -0.76 -0.00 0.00 0.27 0.00 0.00 31.44 31.37 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 1.51 0.17 3.52 8.31 0.00 -0.32 -4.62 105.19 113.76 2dm3 n GLY 24 Ca 0.14 -0.64 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.34 1.83 -0.07 1.61 -0.14 -0.81 -4.76 119.74 113.05 2dm3 s LYS 25 Ca 0.01 -2.07 -0.27 0.00 -1.36 0.00 0.00 55.97 52.28 2dm3 s LYS 25 Cb -0.00 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 35.19 2dm3 s LYS 25 CO 0.01 -0.29 0.87 -1.17 -0.76 0.00 0.00 175.35 174.01 2dm3 s LEU 26 N -3.59 4.29 -0.32 3.17 1.98 -1.26 -3.15 118.68 119.80 2dm3 s LEU 26 Ca 0.29 1.40 0.04 0.00 -2.89 0.00 0.00 54.13 52.96 2dm3 s LEU 26 Cb 0.06 -3.36 0.09 0.00 0.66 0.00 0.00 46.19 43.64 2dm3 s LEU 26 CO 0.14 -0.28 0.01 0.00 -1.89 0.00 0.00 176.35 174.33 2dm3 s ARG 28 N 0.98 3.46 -0.30 0.00 0.52 -1.26 -2.33 118.95 120.02 2dm3 s ARG 28 Ca 0.06 -0.58 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 2dm3 s ARG 28 Cb -0.19 -2.88 0.14 0.00 0.52 0.00 0.00 34.95 32.54 2dm3 s ARG 28 CO -0.08 0.42 0.63 -1.64 0.02 0.00 0.00 175.30 174.65 2dm3 s MET 29 N -3.64 0.57 0.02 3.54 -1.94 -1.22 -5.01 119.30 111.61 2dm3 s MET 29 Ca 0.36 1.32 0.06 0.00 -1.71 0.00 0.00 55.69 55.72 2dm3 s MET 29 Cb -0.10 0.76 -0.03 0.00 2.01 0.00 0.00 34.83 37.47 2dm3 s MET 29 CO 0.30 -0.32 -0.17 0.16 -0.01 0.00 0.00 175.02 174.98 2dm3 s ASP 30 N 2.88 3.88 -0.08 3.03 -4.77 -1.26 -2.30 116.67 118.04 2dm3 s ASP 30 Ca 0.01 -0.36 -0.05 0.00 -3.30 0.00 0.00 52.55 48.85 2dm3 s ASP 30 Cb -0.13 -0.68 0.04 0.00 -1.09 0.00 0.00 42.92 41.06 2dm3 s ASP 30 CO -0.19 0.28 0.20 0.00 0.70 0.00 0.00 175.17 176.15 2dm3 s LYS 32 N 0.91 3.62 -0.06 0.00 1.02 -1.04 -3.52 119.74 120.67 2dm3 s LYS 32 Ca -0.07 -0.26 -0.02 0.00 0.02 0.00 0.00 55.97 55.64 2dm3 s LYS 32 Cb -0.08 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.11 2dm3 s LYS 32 CO -0.05 0.55 0.12 0.54 -0.92 0.00 0.00 175.35 175.59 2dm3 s VAL 33 N -0.39 -0.08 0.19 3.17 0.11 -1.24 -0.67 120.40 121.50 2dm3 s VAL 33 Ca 0.10 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2dm3 s VAL 33 Cb -0.12 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2dm3 s VAL 33 CO 0.02 0.09 0.36 -0.55 -3.33 0.00 0.00 175.10 171.69 2dm3 s SER 34 N 1.35 6.36 0.00 3.54 0.15 0.24 -4.77 113.70 120.56 2dm3 s SER 34 Ca -0.07 0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2dm3 s SER 34 Cb -0.12 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2dm3 s SER 34 CO -0.05 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2dm3 n GLY 35 N -0.72 3.69 2.73 9.45 0.00 -1.26 -2.52 105.19 116.57 2dm3 n GLY 35 Ca -0.06 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.96 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 0.18 0.00 0.99 2.96 -1.24 -3.93 118.68 117.65 2dm3 s LEU 36 Ca 0.00 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 2dm3 s LEU 36 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 46.19 46.69 2dm3 s LEU 36 CO 0.00 -0.23 0.00 -0.81 -1.32 0.00 0.00 176.35 173.99 2dm3 n PRO 37 N 5.17 -0.10 -1.81 0.98 -0.04 -1.26 -3.58 135.00 134.35 2dm3 n PRO 37 Ca -0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.98 2dm3 n PRO 37 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 2dm3 n PRO 37 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2dm3 s THR 38 N -0.54 2.53 0.13 0.52 2.01 -1.25 -4.83 115.64 114.20 2dm3 s THR 38 Ca 0.00 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.91 2dm3 s THR 38 Cb 0.00 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 2dm3 s THR 38 CO 0.00 0.01 1.35 -2.16 -0.69 0.00 0.00 174.62 173.12 2dm3 s PRO 39 N 1.99 4.35 -0.67 4.92 0.04 -1.26 -4.95 135.00 139.41 2dm3 s PRO 39 Ca 0.76 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.66 2dm3 s PRO 39 Cb -0.45 -3.24 0.14 0.00 0.04 0.00 0.00 34.50 30.99 2dm3 s PRO 39 CO 0.33 -0.37 0.73 -0.51 0.04 0.00 0.00 177.00 177.22 2dm3 s ASP 40 N 0.88 6.37 0.23 6.66 1.11 -1.25 -4.89 116.67 125.77 2dm3 s ASP 40 Ca 0.62 -1.86 -0.01 0.00 0.18 0.00 0.00 52.55 51.47 2dm3 s ASP 40 Cb -0.36 -2.27 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 2dm3 s ASP 40 CO 0.32 -0.94 0.43 -1.48 1.18 0.00 0.00 175.17 174.69 2dm3 s LEU 41 N 1.90 4.18 -0.07 1.23 2.34 -1.26 -3.39 118.68 123.62 2dm3 s LEU 41 Ca 0.14 0.45 0.04 0.00 0.06 0.00 0.00 54.13 54.82 2dm3 s LEU 41 Cb -0.20 -3.23 -0.00 0.00 -0.56 0.00 0.00 46.19 42.19 2dm3 s LEU 41 CO 0.00 -0.09 -0.21 -0.44 -1.06 0.00 0.00 176.35 174.55 2dm3 s SER 42 N -3.25 2.67 0.34 1.48 0.01 -1.20 -4.92 113.70 108.82 2dm3 s SER 42 Ca 0.39 -0.46 -0.26 0.00 1.31 0.00 0.00 55.95 56.93 2dm3 s SER 42 Cb -0.11 -0.95 -0.09 0.00 0.21 0.00 0.00 66.02 65.07 2dm3 s SER 42 CO 0.30 0.17 1.02 0.26 0.41 0.00 0.00 173.24 175.40 2dm3 s TRP 43 N 0.16 3.52 -0.08 2.43 0.52 -1.26 -3.28 118.94 120.94 2dm3 s TRP 43 Ca -0.10 1.72 -0.03 0.00 0.02 0.00 0.00 56.10 57.71 2dm3 s TRP 43 Cb -0.15 -3.10 0.04 0.00 -1.15 0.00 0.00 33.47 29.12 2dm3 s TRP 43 CO 0.05 -0.29 0.15 -0.65 0.02 0.00 0.00 176.95 176.23 2dm3 s GLN 44 N -2.02 0.06 -0.13 4.98 -0.21 -1.01 -3.14 119.66 118.18 2dm3 s GLN 44 Ca 0.51 0.47 -0.02 0.00 0.02 0.00 0.00 55.36 56.34 2dm3 s GLN 44 Cb -0.24 -0.23 -0.03 0.00 1.00 0.00 0.00 33.01 33.52 2dm3 s GLN 44 CO 0.30 -0.24 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.01 2dm3 s LEU 45 N 1.77 3.19 -1.56 2.90 2.96 0.26 -1.09 118.68 127.11 2dm3 s LEU 45 Ca -0.03 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2dm3 s LEU 45 Cb -0.12 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.88 2dm3 s LEU 45 CO -0.06 0.21 0.43 -0.67 -1.32 0.00 0.00 176.35 174.94 2dm3 n ASP 46 N 3.24 -0.90 -3.27 3.68 -0.08 -1.20 -0.17 116.55 117.85 2dm3 n ASP 46 Ca -0.18 -1.09 -0.21 0.00 -1.51 0.00 0.00 54.79 51.80 2dm3 n ASP 46 Cb 0.53 -2.51 0.07 0.00 2.34 0.00 0.00 41.12 41.54 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dm3 n GLY 47 N -1.91 -0.38 3.28 0.27 0.00 -1.26 -5.01 105.19 100.19 2dm3 n GLY 47 Ca -0.18 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -6.07 0.77 -0.46 1.61 1.02 0.76 -5.11 119.74 112.25 2dm3 s LYS 48 Ca 0.47 -0.22 -0.28 0.00 0.02 0.00 0.00 55.97 55.96 2dm3 s LYS 48 Cb -0.21 0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 2dm3 s LYS 48 CO 0.65 -0.23 1.77 -1.25 -0.92 0.00 0.00 175.35 175.37 2dm3 s PRO 49 N -1.67 3.08 0.12 -1.68 0.04 -1.26 0.89 135.00 134.52 2dm3 s PRO 49 Ca -0.11 1.02 -0.28 0.00 0.04 0.00 0.00 61.00 61.67 2dm3 s PRO 49 Cb -0.03 -4.25 -0.06 0.00 0.04 0.00 0.00 34.50 30.19 2dm3 s PRO 49 CO 0.03 -2.18 0.89 0.54 0.04 0.00 0.00 177.00 176.32 2dm3 s VAL 50 N 7.58 4.49 0.07 -0.36 0.11 -1.19 -4.88 120.40 126.23 2dm3 s VAL 50 Ca 0.72 1.93 0.08 0.00 -2.93 0.00 0.00 61.98 61.78 2dm3 s VAL 50 Cb -0.17 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.39 2dm3 s VAL 50 CO 0.28 0.37 -0.18 -0.13 -3.33 0.00 0.00 175.10 172.11 2dm3 s ARG 51 N -0.28 1.95 0.38 1.54 1.81 -1.26 -4.80 118.95 118.29 2dm3 s ARG 51 Ca 0.43 -1.06 -0.26 0.00 -1.72 0.00 0.00 55.73 53.11 2dm3 s ARG 51 Cb -0.23 -2.15 -0.09 0.00 -0.45 0.00 0.00 34.95 32.03 2dm3 s ARG 51 CO 0.28 0.52 1.20 -1.25 -0.68 0.00 0.00 175.30 175.37 2dm3 s PRO 52 N -1.71 4.14 0.34 3.54 0.04 -1.26 -4.88 135.00 135.20 2dm3 s PRO 52 Ca 0.16 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.15 2dm3 s PRO 52 Cb -0.10 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.63 2dm3 s PRO 52 CO 0.07 -0.27 0.37 -0.51 0.04 0.00 0.00 177.00 176.70 2dm3 s ASP 53 N -0.97 1.33 0.62 6.66 1.01 0.71 -4.92 116.67 121.11 2dm3 s ASP 53 Ca 0.55 -1.64 0.24 0.00 0.71 0.00 0.00 52.55 52.41 2dm3 s ASP 53 Cb -0.33 0.61 1.06 0.00 1.01 0.00 0.00 42.92 45.27 2dm3 s ASP 53 CO 0.42 -1.17 1.52 0.77 0.21 0.00 0.00 175.17 176.92 2dm3 h SER 54 N 2.13 0.00 0.00 0.27 4.64 -1.97 -1.69 113.55 116.93 2dm3 h SER 54 Ca -0.27 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.73 2dm3 h SER 54 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2dm3 h SER 54 CO 0.38 0.00 -2.05 0.00 -0.87 0.00 0.00 176.83 174.29 2dm3 n ALA 55 N -2.14 1.46 -2.46 5.18 0.00 -1.26 -4.91 120.51 116.38 2dm3 n ALA 55 Ca 0.13 -0.88 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 2dm3 n ALA 55 Cb 1.06 0.18 -0.02 0.00 0.00 0.00 0.00 19.45 20.66 2dm3 n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm3 s HIS 56 N -2.48 2.69 -0.19 0.00 3.76 -0.64 -2.91 115.29 115.53 2dm3 s HIS 56 Ca -0.31 0.83 0.01 0.00 -0.15 0.00 0.00 55.06 55.44 2dm3 s HIS 56 Cb 0.11 -4.08 0.03 0.00 1.11 0.00 0.00 32.58 29.75 2dm3 s HIS 56 CO 0.40 -1.59 -0.18 0.21 -0.85 0.00 0.00 174.74 172.73 2dm3 s LYS 57 N 4.35 2.81 -0.14 1.40 2.20 0.50 -0.21 119.74 130.65 2dm3 s LYS 57 Ca 0.55 -0.86 -0.11 0.00 -0.36 0.00 0.00 55.97 55.18 2dm3 s LYS 57 Cb -0.14 -2.56 -0.05 0.00 -1.51 0.00 0.00 37.83 33.58 2dm3 s LYS 57 CO 0.26 -0.26 0.23 -1.64 -0.36 0.00 0.00 175.35 173.58 2dm3 s MET 58 N 1.29 4.00 0.14 4.03 -1.94 -1.26 -0.85 119.30 124.71 2dm3 s MET 58 Ca 0.03 -0.01 0.05 0.00 -1.71 0.00 0.00 55.69 54.05 2dm3 s MET 58 Cb -0.14 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 2dm3 s MET 58 CO -0.12 0.44 0.11 -0.51 -0.01 0.00 0.00 175.02 174.93 2dm3 s LEU 59 N -0.10 3.76 -0.18 -0.03 1.02 -0.63 -4.97 118.68 117.54 2dm3 s LEU 59 Ca 0.15 -0.12 -0.05 0.00 0.02 0.00 0.00 54.13 54.13 2dm3 s LEU 59 Cb -0.13 -2.39 0.06 0.00 0.02 0.00 0.00 46.19 43.75 2dm3 s LEU 59 CO 0.03 0.10 0.08 -0.69 0.02 0.00 0.00 176.35 175.90 2dm3 s VAL 60 N -1.64 0.03 -0.11 -1.59 1.01 -1.26 -3.06 120.40 113.78 2dm3 s VAL 60 Ca 0.30 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.79 2dm3 s VAL 60 Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2dm3 s VAL 60 CO 0.23 -0.29 0.65 -0.13 0.00 0.00 0.00 175.10 175.56 2dm3 s ARG 61 N 2.08 4.37 0.14 2.72 1.81 -0.31 -4.95 118.95 124.81 2dm3 s ARG 61 Ca 0.02 0.76 -0.31 0.00 -1.72 0.00 0.00 55.73 54.48 2dm3 s ARG 61 Cb -0.16 -3.48 -0.09 0.00 -0.45 0.00 0.00 34.95 30.77 2dm3 s ARG 61 CO -0.10 0.00 1.52 0.93 -0.68 0.00 0.00 175.30 176.98 2dm3 h GLU 62 N 6.91 -0.19 -0.84 3.54 3.07 -2.00 0.14 114.58 125.21 2dm3 h GLU 62 Ca -0.39 0.01 0.21 0.00 -0.50 0.00 0.00 59.36 58.70 2dm3 h GLU 62 Cb 1.18 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 28.99 2dm3 h GLU 62 CO 0.76 -0.13 0.07 -0.91 -1.40 0.00 0.00 179.01 177.40 2dm3 h ASN 63 N -0.19 -0.30 0.00 1.42 4.21 -2.01 -3.45 115.58 115.26 2dm3 h ASN 63 Ca 0.11 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.84 2dm3 h ASN 63 Cb 0.49 0.36 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2dm3 h ASN 63 CO -0.74 -0.21 0.00 0.61 -1.29 0.00 0.00 177.43 175.80 2dm3 n GLY 64 N -1.43 0.01 3.01 2.83 0.00 0.50 -4.90 105.19 105.20 2dm3 n GLY 64 Ca 0.18 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N 0.00 -0.55 0.29 1.61 1.01 -1.18 -3.59 120.40 117.99 2dm3 s VAL 65 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2dm3 s VAL 65 Cb 0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2dm3 s VAL 65 CO 0.00 -0.03 0.46 -1.00 0.00 0.00 0.00 175.10 174.53 2dm3 s HIS 66 N 2.52 3.48 -0.22 5.22 3.76 -1.23 -1.16 115.29 127.66 2dm3 s HIS 66 Ca 0.06 0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 55.16 2dm3 s HIS 66 Cb -0.14 -1.79 0.11 0.00 1.11 0.00 0.00 32.58 31.87 2dm3 s HIS 66 CO -0.13 0.27 0.42 -1.12 -0.85 0.00 0.00 174.74 173.32 2dm3 s SER 67 N -3.84 -0.15 -0.53 1.40 0.01 -1.17 -2.85 113.70 106.56 2dm3 s SER 67 Ca 0.38 0.74 -0.23 0.00 1.31 0.00 0.00 55.95 58.15 2dm3 s SER 67 Cb -0.10 1.32 0.04 0.00 0.21 0.00 0.00 66.02 67.50 2dm3 s SER 67 CO 0.33 -0.26 0.88 -0.22 0.41 0.00 0.00 173.24 174.38 2dm3 s LEU 68 N 2.61 4.24 -0.30 2.44 2.96 -0.97 -1.60 118.68 128.06 2dm3 s LEU 68 Ca 0.04 -0.39 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 2dm3 s LEU 68 Cb -0.13 -2.80 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 2dm3 s LEU 68 CO -0.14 -1.14 0.17 -0.63 -1.32 0.00 0.00 176.35 173.29 2dm3 s ILE 69 N 3.67 4.91 -0.18 6.68 1.01 -0.03 -3.40 121.20 133.87 2dm3 s ILE 69 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.78 2dm3 s ILE 69 Cb -0.13 -3.42 0.01 0.00 0.01 0.00 0.00 42.46 38.92 2dm3 s ILE 69 CO 0.19 0.16 -0.15 -0.63 0.00 0.00 0.00 174.94 174.51 2dm3 s ILE 70 N 1.68 2.59 -0.29 2.92 1.01 -0.99 -0.37 121.20 127.75 2dm3 s ILE 70 Ca 0.06 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 2dm3 s ILE 70 Cb -0.16 -2.11 0.13 0.00 0.01 0.00 0.00 42.46 40.33 2dm3 s ILE 70 CO 0.08 0.50 0.83 -0.70 0.00 0.00 0.00 174.94 175.65 2dm3 s GLU 71 N 1.16 0.48 1.15 2.79 -6.30 -1.15 -2.45 118.70 114.39 2dm3 s GLU 71 Ca 0.01 1.03 -0.19 0.00 -2.50 0.00 0.00 54.97 53.32 2dm3 s GLU 71 Cb -0.14 0.44 0.29 0.00 0.00 0.00 0.00 34.13 34.71 2dm3 s GLU 71 CO -0.06 -0.14 1.02 -0.35 0.02 0.00 0.00 175.26 175.76 2dm3 n PRO 72 N 4.72 -3.02 -4.56 4.30 -0.04 -1.26 -4.44 135.00 130.71 2dm3 n PRO 72 Ca -0.14 -1.64 -0.34 0.00 -0.04 0.00 0.00 63.50 61.34 2dm3 n PRO 72 Cb 0.54 -1.54 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 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 -2.86 3.67 0.37 0.52 1.01 -1.19 -4.91 120.40 117.02 2dm3 s VAL 73 Ca 0.67 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.27 2dm3 s VAL 73 Cb -0.07 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 2dm3 s VAL 73 CO 0.51 0.54 0.01 0.42 0.00 0.00 0.00 175.10 176.58 2dm3 s THR 74 N -0.11 2.29 -0.94 3.92 -4.23 -1.26 -1.17 115.64 114.14 2dm3 s THR 74 Ca 0.01 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2dm3 s THR 74 Cb -0.13 -2.85 0.08 0.00 1.34 0.00 0.00 72.50 70.94 2dm3 s THR 74 CO 0.03 -0.11 1.28 -1.20 -0.54 0.00 0.00 174.62 174.08 2dm3 n SER 75 N -0.96 0.06 0.07 3.99 7.64 -1.26 -1.14 113.62 122.03 2dm3 n SER 75 Ca -0.04 0.52 0.12 0.00 1.01 0.00 0.00 58.87 60.48 2dm3 n SER 75 Cb 0.64 -0.53 0.26 0.00 -1.01 0.00 0.00 64.21 63.57 2dm3 n SER 75 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2dm3 n ARG 76 N -1.57 0.27 0.15 1.43 0.63 -1.26 -3.58 116.66 112.73 2dm3 n ARG 76 Ca 0.02 0.13 0.02 0.00 -0.92 0.00 0.00 57.85 57.10 2dm3 n ARG 76 Cb 0.09 -1.72 0.15 0.00 0.45 0.00 0.00 32.46 31.43 2dm3 n ARG 76 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2dm3 h ASP 77 N 0.00 0.00 -3.11 6.15 3.32 -1.53 -3.43 116.42 117.82 2dm3 h ASP 77 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2dm3 h ASP 77 Cb 0.74 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 2dm3 h ASP 77 CO 0.00 0.52 1.04 0.00 -1.72 0.00 0.00 179.24 179.08 2dm3 s ALA 78 N -3.23 3.23 0.00 3.45 0.00 -1.24 -4.88 121.76 119.09 2dm3 s ALA 78 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.06 2dm3 s ALA 78 Cb 0.10 -3.85 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2dm3 s ALA 78 CO 0.73 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.87 2dm3 n GLY 79 N 4.65 1.81 3.14 0.00 0.00 -1.25 -4.96 105.19 108.58 2dm3 n GLY 79 Ca 0.16 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.58 3.80 -0.29 -0.61 -1.09 -1.26 -2.98 121.20 117.18 2dm3 s ILE 80 Ca 0.00 -2.36 -0.29 0.00 -2.23 0.00 0.00 60.65 55.77 2dm3 s ILE 80 Cb 0.00 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2dm3 s ILE 80 CO 0.00 -0.80 1.24 -0.31 -1.23 0.00 0.00 174.94 173.83 2dm3 s TYR 81 N 0.68 2.83 -0.23 3.97 1.51 -1.14 -3.26 117.35 121.72 2dm3 s TYR 81 Ca 0.11 0.97 -0.01 0.00 -1.01 0.00 0.00 57.07 57.13 2dm3 s TYR 81 Cb -0.22 -3.81 0.02 0.00 -0.11 0.00 0.00 41.96 37.84 2dm3 s TYR 81 CO -0.03 -1.46 -0.09 0.99 -1.11 0.00 0.00 175.55 173.85 2dm3 s THR 82 N 4.08 2.74 -0.18 -0.71 2.01 -0.25 -3.00 115.64 120.34 2dm3 s THR 82 Ca 0.53 -0.96 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 2dm3 s THR 82 Cb -0.16 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 2dm3 s THR 82 CO 0.20 0.29 -0.03 0.00 -0.69 0.00 0.00 174.62 174.39 2dm3 s ILE 84 N 0.69 3.06 -0.51 0.00 1.01 -1.21 -3.13 121.20 121.11 2dm3 s ILE 84 Ca -0.02 -2.34 -0.22 0.00 0.00 0.00 0.00 60.65 58.07 2dm3 s ILE 84 Cb -0.14 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.25 2dm3 s ILE 84 CO 0.02 -0.70 0.80 0.00 0.00 0.00 0.00 174.94 175.06 2dm3 s ALA 85 N 0.81 3.26 -0.37 9.38 0.00 -1.08 -3.27 121.76 130.50 2dm3 s ALA 85 Ca 0.11 -1.36 -0.08 0.00 0.00 0.00 0.00 51.96 50.63 2dm3 s ALA 85 Cb -0.22 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.41 2dm3 s ALA 85 CO -0.05 -2.16 0.17 0.99 0.00 0.00 0.00 175.76 174.71 2dm3 s THR 86 N 3.36 3.99 0.42 0.00 2.01 -1.22 -2.17 115.64 122.03 2dm3 s THR 86 Ca 0.25 -1.23 0.08 0.00 0.31 0.00 0.00 61.69 61.10 2dm3 s THR 86 Cb -0.15 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.02 2dm3 s THR 86 CO 0.17 -0.31 0.42 0.21 -0.69 0.00 0.00 174.62 174.42 2dm3 s ASN 87 N 1.66 5.17 0.37 3.53 2.47 0.32 -3.88 114.94 124.57 2dm3 s ASN 87 Ca 0.01 -0.69 0.13 0.00 0.42 0.00 0.00 52.86 52.73 2dm3 s ASN 87 Cb -0.21 -0.57 0.96 0.00 -1.45 0.00 0.00 41.25 39.98 2dm3 s ASN 87 CO 0.03 -0.68 1.79 0.03 -3.72 0.00 0.00 177.10 174.55 2dm3 h ARG 88 N 0.94 0.52 0.51 0.43 2.47 -1.88 -2.43 114.38 114.94 2dm3 h ARG 88 Ca -0.41 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.25 2dm3 h ARG 88 Cb 1.27 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 29.48 2dm3 h ARG 88 CO 0.55 0.35 -0.25 0.00 0.56 0.00 0.00 179.97 181.18 2dm3 h ALA 89 N 1.63 -0.69 -3.00 0.04 0.00 -1.85 -3.50 119.26 111.89 2dm3 h ALA 89 Ca 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2dm3 h ALA 89 Cb 1.18 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2dm3 h ALA 89 CO -0.30 -0.64 0.00 0.41 0.00 0.00 0.00 179.25 178.72 2dm3 n GLY 90 N 0.04 3.59 3.53 0.00 0.00 -0.92 -4.84 105.19 106.59 2dm3 n GLY 90 Ca -0.09 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 2dm3 n GLY 90 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2dm3 s GLN 91 N 2.26 0.93 0.26 1.61 -2.07 -1.26 0.12 119.66 121.51 2dm3 s GLN 91 Ca 0.00 0.15 0.02 0.00 -1.82 0.00 0.00 55.36 53.71 2dm3 s GLN 91 Cb 0.00 0.44 -0.03 0.00 -1.09 0.00 0.00 33.01 32.32 2dm3 s GLN 91 CO 0.00 -0.31 0.21 1.21 -1.32 0.00 0.00 175.29 175.08 2dm3 s ASN 92 N -1.33 0.78 -0.06 12.60 3.84 -0.92 -4.91 114.94 124.93 2dm3 s ASN 92 Ca -0.07 -1.53 -0.12 0.00 0.21 0.00 0.00 52.86 51.36 2dm3 s ASN 92 Cb -0.00 0.46 0.02 0.00 -0.55 0.00 0.00 41.25 41.18 2dm3 s ASN 92 CO 0.05 -0.95 0.28 -0.94 -2.79 0.00 0.00 177.10 172.75 2dm3 s SER 93 N -3.24 -0.22 -0.12 -4.21 1.04 -1.26 -2.62 113.70 103.07 2dm3 s SER 93 Ca 0.39 0.30 -0.09 0.00 0.48 0.00 0.00 55.95 57.03 2dm3 s SER 93 Cb 0.05 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.65 2dm3 s SER 93 CO 0.18 -0.27 0.30 0.72 0.98 0.00 0.00 173.24 175.16 2dm3 s PHE 94 N -0.61 -0.36 0.27 5.02 -0.12 -1.18 -5.02 117.98 115.98 2dm3 s PHE 94 Ca -0.07 0.85 0.09 0.00 -0.05 0.00 0.00 56.93 57.75 2dm3 s PHE 94 Cb -0.04 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2dm3 s PHE 94 CO 0.02 -0.19 0.04 -1.54 -0.05 0.00 0.00 175.22 173.49 2dm3 s SER 95 N 0.53 4.70 0.11 1.98 1.04 -1.26 -2.91 113.70 117.89 2dm3 s SER 95 Ca -0.03 -0.60 -0.18 0.00 0.48 0.00 0.00 55.95 55.62 2dm3 s SER 95 Cb -0.05 -0.92 0.04 0.00 0.10 0.00 0.00 66.02 65.20 2dm3 s SER 95 CO -0.03 -0.03 0.45 -1.48 0.98 0.00 0.00 173.24 173.13 2dm3 s LEU 96 N -3.71 0.19 0.00 2.42 0.05 -1.16 -4.98 118.68 111.49 2dm3 s LEU 96 Ca 0.32 -0.16 0.06 0.00 0.05 0.00 0.00 54.13 54.40 2dm3 s LEU 96 Cb -0.06 1.98 -0.03 0.00 -2.05 0.00 0.00 46.19 46.03 2dm3 s LEU 96 CO 0.21 -0.83 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.30 2dm3 s GLU 97 N -3.45 2.21 -0.11 1.48 2.56 -1.24 -2.87 118.70 117.28 2dm3 s GLU 97 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 54.97 54.09 2dm3 s GLU 97 Cb 0.01 -2.22 0.02 0.00 2.00 0.00 0.00 34.13 33.94 2dm3 s GLU 97 CO -0.10 0.57 -0.08 -1.17 -0.56 0.00 0.00 175.26 173.93 2dm3 s LEU 98 N -1.10 1.19 0.03 2.70 2.96 -1.16 -3.44 118.68 119.87 2dm3 s LEU 98 Ca 0.13 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.65 2dm3 s LEU 98 Cb -0.10 -0.82 -0.05 0.00 0.50 0.00 0.00 46.19 45.72 2dm3 s LEU 98 CO 0.03 -0.11 0.36 -0.69 -1.32 0.00 0.00 176.35 174.61 2dm3 s VAL 99 N 1.63 5.15 -0.02 1.68 1.01 0.36 -3.83 120.40 126.39 2dm3 s VAL 99 Ca 0.03 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2dm3 s VAL 99 Cb -0.13 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2dm3 s VAL 99 CO -0.07 0.41 -0.08 0.54 0.00 0.00 0.00 175.10 175.90 2dm3 s VAL 100 N -1.27 0.65 -0.19 2.92 0.11 -1.26 -1.91 120.40 119.46 2dm3 s VAL 100 Ca 0.28 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.98 2dm3 s VAL 100 Cb -0.14 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.11 2dm3 s VAL 100 CO 0.15 0.20 -0.05 0.00 -3.33 0.00 0.00 175.10 172.08 2dm3 s ALA 101 N 0.08 2.86 0.61 1.54 0.00 -1.15 -4.92 121.76 120.77 2dm3 s ALA 101 Ca -0.01 -1.03 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 2dm3 s ALA 101 Cb -0.06 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 2dm3 s ALA 101 CO -0.00 -0.16 0.94 0.00 0.00 0.00 0.00 175.76 176.55 2dm3 n ALA 102 N 4.27 0.11 -2.19 0.00 0.00 -1.26 0.00 120.51 121.45 2dm3 n ALA 102 Ca -0.18 -0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 2dm3 n ALA 102 Cb 0.52 -2.10 -0.04 0.00 0.00 0.00 0.00 19.45 17.83 2dm3 n ALA 102 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2dm3 s LYS 103 N -2.76 4.57 0.08 0.00 2.36 -1.26 -4.71 119.74 118.02 2dm3 s LYS 103 Ca 0.76 1.68 -0.36 0.00 -2.55 0.00 0.00 55.97 55.50 2dm3 s LYS 103 Cb -0.41 -3.31 -0.18 0.00 -1.05 0.00 0.00 37.83 32.87 2dm3 s LYS 103 CO 0.47 0.02 0.98 -0.85 1.55 0.00 0.00 175.35 177.51 2dm3 n GLU 104 N 2.80 0.26 -3.55 4.03 0.28 -1.26 -4.96 120.64 118.24 2dm3 n GLU 104 Ca 0.04 0.09 -0.15 0.00 -0.16 0.00 0.00 57.16 56.99 2dm3 n GLU 104 Cb 0.47 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.79 2dm3 n GLU 104 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2dm3 s SER 105 N -0.19 -0.54 0.00 -1.84 0.15 -1.26 -5.10 113.70 104.92 2dm3 s SER 105 Ca 0.82 0.60 0.00 0.00 0.70 0.00 0.00 55.95 58.07 2dm3 s SER 105 Cb -1.11 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 2dm3 s SER 105 CO 0.55 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 175.12 2dm3 n GLY 106 N 0.89 0.43 0.25 9.45 0.00 -1.26 -4.90 105.19 110.05 2dm3 n GLY 106 Ca -0.15 -1.85 0.13 0.00 0.00 0.00 0.00 46.02 44.14 2dm3 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm3 h PRO 107 N 5.14 0.00 -5.35 1.61 0.13 -2.02 -3.45 132.00 128.06 2dm3 h PRO 107 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 2dm3 h PRO 107 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2dm3 h PRO 107 CO 0.00 0.13 -0.72 0.45 -0.23 0.00 0.00 178.00 177.64 2dm3 s SER 108 N -6.00 2.26 -0.37 1.44 0.15 -1.26 -5.11 113.70 104.80 2dm3 s SER 108 Ca 0.00 -1.04 -0.25 0.00 0.70 0.00 0.00 55.95 55.36 2dm3 s SER 108 Cb 0.10 -0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 2dm3 s SER 108 CO 0.59 -0.26 0.87 -0.55 1.20 0.00 0.00 173.24 175.09 2dm3 s SER 109 N -3.27 6.62 0.00 5.45 0.15 -1.26 -4.86 113.70 116.53 2dm3 s SER 109 Ca 0.21 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.34 2dm3 s SER 109 Cb 0.01 -2.44 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2dm3 s SER 109 CO 0.05 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.28