#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 6.57 -0.30 1.61 0.15 -1.26 -5.08 113.70 115.39 2dm4 s SER 2 Ca 0.00 0.75 0.02 0.00 0.70 0.00 0.00 55.95 57.42 2dm4 s SER 2 Cb 0.00 -2.16 0.09 0.00 -1.71 0.00 0.00 66.02 62.24 2dm4 s SER 2 CO 0.00 0.04 0.03 -0.44 1.20 0.00 0.00 173.24 174.07 2dm4 s SER 3 N -2.25 4.39 -1.14 5.45 0.01 -1.26 -5.05 113.70 113.85 2dm4 s SER 3 Ca 0.41 -1.77 -0.16 0.00 1.31 0.00 0.00 55.95 55.74 2dm4 s SER 3 Cb -0.12 -1.36 0.14 0.00 0.21 0.00 0.00 66.02 64.89 2dm4 s SER 3 CO 0.22 -0.34 1.40 -0.83 0.41 0.00 0.00 173.24 174.10 2dm4 s GLY 4 N 1.18 2.11 0.28 3.44 0.00 -1.26 -4.93 107.32 108.15 2dm4 s GLY 4 Ca 0.05 -3.08 -0.14 0.00 0.00 0.00 0.00 44.72 41.55 2dm4 s GLY 4 CO -0.11 2.18 0.57 -0.56 0.00 0.00 0.00 173.10 175.17 2dm4 s SER 5 N 3.36 0.00 0.56 1.64 0.01 -1.26 -5.18 113.70 112.83 2dm4 s SER 5 Ca 0.42 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 56.80 2dm4 s SER 5 Cb -0.02 0.66 0.07 0.00 0.21 0.00 0.00 66.02 66.94 2dm4 s SER 5 CO -0.02 -1.27 0.77 -0.94 0.41 0.00 0.00 173.24 172.19 2dm4 s SER 6 N -3.03 5.12 0.00 2.44 1.04 -1.26 -4.89 113.70 113.12 2dm4 s SER 6 Ca 0.20 -0.64 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2dm4 s SER 6 Cb -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2dm4 s SER 6 CO 0.10 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.65 2dm4 n GLY 7 N -2.25 0.44 0.17 7.32 0.00 -1.26 -5.00 105.19 104.61 2dm4 n GLY 7 Ca 0.14 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.52 2dm4 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 8 N 0.00 0.00 -1.00 1.61 0.13 -1.99 -3.15 132.00 127.61 2dm4 h PRO 8 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 2dm4 h PRO 8 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 2dm4 h PRO 8 CO 0.00 0.00 0.62 0.38 -0.23 0.00 0.00 178.00 178.77 2dm4 h ASP 9 N 0.00 0.69 -4.22 1.44 2.03 -1.94 -3.26 116.42 111.16 2dm4 h ASP 9 Ca 0.00 0.09 -0.48 0.00 -0.73 0.00 0.00 57.03 55.91 2dm4 h ASP 9 Cb 0.40 -0.03 0.03 0.00 -0.83 0.00 0.00 39.33 38.90 2dm4 h ASP 9 CO 0.00 0.22 0.38 0.00 -1.03 0.00 0.00 179.24 178.82 2dm4 s ALA 10 N -5.75 3.05 1.13 4.15 0.00 -1.19 -4.36 121.76 118.79 2dm4 s ALA 10 Ca -0.10 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.90 2dm4 s ALA 10 Cb 0.25 -3.12 0.15 0.00 0.00 0.00 0.00 23.12 20.40 2dm4 s ALA 10 CO 0.80 -0.35 0.55 -0.35 0.00 0.00 0.00 175.76 176.41 2dm4 n PRO 11 N -1.81 -2.09 -3.67 0.00 -0.04 -1.26 -4.34 135.00 121.79 2dm4 n PRO 11 Ca 0.07 -0.88 -0.12 0.00 -0.04 0.00 0.00 63.50 62.53 2dm4 n PRO 11 Cb 0.54 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.12 2dm4 n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dm4 s ARG 12 N -4.25 0.95 -0.41 0.54 0.52 -0.87 -4.82 118.95 110.62 2dm4 s ARG 12 Ca 0.36 -0.49 -0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2dm4 s ARG 12 Cb -0.03 0.42 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 2dm4 s ARG 12 CO 0.27 -0.34 0.35 -1.71 0.02 0.00 0.00 175.30 173.89 2dm4 n ASN 13 N 0.29 -2.58 -4.65 0.23 5.15 -1.26 0.13 115.26 112.56 2dm4 n ASN 13 Ca -0.18 -0.23 -0.43 0.00 -0.60 0.00 0.00 54.58 53.14 2dm4 n ASN 13 Cb 0.61 -2.17 -0.02 0.00 -0.53 0.00 0.00 39.78 37.67 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dm4 s LEU 14 N -3.66 4.07 -0.00 1.20 2.96 -1.26 -3.88 118.68 118.10 2dm4 s LEU 14 Ca 0.06 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.27 2dm4 s LEU 14 Cb -0.01 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.17 2dm4 s LEU 14 CO 0.26 -0.69 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.43 2dm4 s GLN 15 N 3.25 0.53 -0.11 1.98 -0.21 0.11 -4.90 119.66 120.31 2dm4 s GLN 15 Ca 0.43 -0.26 -0.01 0.00 0.02 0.00 0.00 55.36 55.53 2dm4 s GLN 15 Cb -0.14 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 33.34 2dm4 s GLN 15 CO 0.08 0.14 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.83 2dm4 s LEU 16 N -0.24 3.25 0.30 2.90 1.43 -1.26 -0.83 118.68 124.22 2dm4 s LEU 16 Ca 0.02 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 2dm4 s LEU 16 Cb -0.03 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2dm4 s LEU 16 CO -0.00 0.28 -0.04 -0.44 0.23 0.00 0.00 176.35 176.38 2dm4 s SER 17 N -0.29 2.81 -0.19 2.29 0.01 -0.65 -4.93 113.70 112.76 2dm4 s SER 17 Ca 0.05 -1.23 0.01 0.00 1.31 0.00 0.00 55.95 56.09 2dm4 s SER 17 Cb -0.13 -0.18 0.03 0.00 0.21 0.00 0.00 66.02 65.96 2dm4 s SER 17 CO 0.02 -0.38 -0.17 -0.76 0.41 0.00 0.00 173.24 172.36 2dm4 s LEU 18 N -3.47 2.25 0.06 2.44 2.01 -1.26 -0.63 118.68 120.07 2dm4 s LEU 18 Ca 0.31 -0.75 -0.31 0.00 0.01 0.00 0.00 54.13 53.39 2dm4 s LEU 18 Cb 0.05 -1.41 -0.07 0.00 0.01 0.00 0.00 46.19 44.77 2dm4 s LEU 18 CO 0.13 -0.05 1.40 -2.16 1.01 0.00 0.00 176.35 176.68 2dm4 s PRO 19 N 1.31 4.30 0.04 1.29 0.04 -1.26 -4.90 135.00 135.82 2dm4 s PRO 19 Ca 0.02 2.03 0.22 0.00 0.04 0.00 0.00 61.00 63.31 2dm4 s PRO 19 Cb -0.14 -3.43 0.92 0.00 0.04 0.00 0.00 34.50 31.89 2dm4 s PRO 19 CO -0.11 -0.51 1.71 2.89 0.04 0.00 0.00 177.00 181.01 2dm4 n ARG 20 N 4.71 0.04 0.00 4.56 1.85 -1.26 -2.43 116.66 124.14 2dm4 n ARG 20 Ca 0.12 0.16 0.10 0.00 -1.00 0.00 0.00 57.85 57.24 2dm4 n ARG 20 Cb 0.43 -1.56 -0.02 0.00 -1.05 0.00 0.00 32.46 30.26 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -1.63 1.19 -3.90 2.89 1.02 -1.26 -4.72 120.64 114.22 2dm4 n GLU 21 Ca 0.05 -0.82 -0.11 0.00 -0.02 0.00 0.00 57.16 56.26 2dm4 n GLU 21 Cb 0.27 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 30.14 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -2.43 -0.17 0.51 0.62 0.00 -1.02 -5.17 121.76 114.10 2dm4 s ALA 22 Ca 0.16 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 51.98 2dm4 s ALA 22 Cb 0.17 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.39 2dm4 s ALA 22 CO 0.58 -0.16 0.43 -1.21 0.00 0.00 0.00 175.76 175.40 2dm4 s GLU 23 N -1.15 2.32 0.00 0.00 0.41 -1.26 -4.28 118.70 114.74 2dm4 s GLU 23 Ca -0.12 -1.86 0.00 0.00 -0.41 0.00 0.00 54.97 52.57 2dm4 s GLU 23 Cb -0.07 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.06 2dm4 s GLU 23 CO 0.00 -0.53 0.00 0.41 -0.49 0.00 0.00 175.26 174.65 2dm4 n GLY 24 N -1.75 -0.24 3.41 -1.39 0.00 -1.26 -4.75 105.19 99.21 2dm4 n GLY 24 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -1.45 2.39 -0.10 1.61 1.01 -1.26 -0.24 120.40 122.36 2dm4 s VAL 25 Ca 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 61.98 60.26 2dm4 s VAL 25 Cb 0.00 -2.07 0.04 0.00 0.00 0.00 0.00 36.38 34.35 2dm4 s VAL 25 CO 0.00 0.09 0.02 -0.63 0.00 0.00 0.00 175.10 174.58 2dm4 s ILE 26 N -1.08 0.37 -0.70 2.22 1.01 0.19 -4.40 121.20 118.80 2dm4 s ILE 26 Ca 0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 2dm4 s ILE 26 Cb -0.10 -0.63 0.06 0.00 0.01 0.00 0.00 42.46 41.79 2dm4 s ILE 26 CO 0.07 0.13 1.10 -0.69 0.00 0.00 0.00 174.94 175.55 2dm4 s VAL 27 N 1.96 4.08 -0.10 2.92 1.01 0.20 0.13 120.40 130.61 2dm4 s VAL 27 Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.67 2dm4 s VAL 27 Cb -0.13 -4.79 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 2dm4 s VAL 27 CO -0.06 -1.63 0.84 -0.83 0.00 0.00 0.00 175.10 173.42 2dm4 s GLY 28 N 3.73 2.44 0.09 4.51 0.00 0.11 -1.63 107.32 116.56 2dm4 s GLY 28 Ca 0.28 0.20 0.07 0.00 0.00 0.00 0.00 44.72 45.27 2dm4 s GLY 28 CO 0.11 1.55 -0.19 0.30 0.00 0.00 0.00 173.10 174.88 2dm4 s HIS 29 N 1.51 1.59 0.22 1.90 3.76 -0.01 -0.41 115.29 123.84 2dm4 s HIS 29 Ca 0.42 -0.43 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 2dm4 s HIS 29 Cb -0.18 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.67 2dm4 s HIS 29 CO 0.18 0.15 0.43 -2.67 -0.85 0.00 0.00 174.74 171.98 2dm4 n TRP 30 N 1.16 -1.73 -4.42 1.40 2.14 -0.53 -0.71 117.44 114.75 2dm4 n TRP 30 Ca -0.20 -1.03 -0.25 0.00 2.07 0.00 0.00 57.50 58.08 2dm4 n TRP 30 Cb 0.54 0.50 -0.11 0.00 -0.81 0.00 0.00 31.31 31.44 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -1.61 2.70 0.60 -1.67 0.00 0.34 -4.80 121.76 117.31 2dm4 s ALA 31 Ca 0.09 -1.72 -0.17 0.00 0.00 0.00 0.00 51.96 50.15 2dm4 s ALA 31 Cb -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 2dm4 s ALA 31 CO 0.07 0.36 1.12 -1.25 0.00 0.00 0.00 175.76 176.06 2dm4 s PRO 32 N -3.09 3.10 0.28 0.00 0.04 -1.26 -2.05 135.00 132.01 2dm4 s PRO 32 Ca 0.26 1.51 -0.29 0.00 0.04 0.00 0.00 61.00 62.51 2dm4 s PRO 32 Cb -0.07 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2dm4 s PRO 32 CO 0.13 -1.03 1.25 -1.25 0.04 0.00 0.00 177.00 176.14 2dm4 s PRO 33 N -3.67 4.44 0.31 0.56 0.04 -1.26 -4.61 135.00 130.82 2dm4 s PRO 33 Ca 0.70 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.87 2dm4 s PRO 33 Cb -0.22 -3.14 0.83 0.00 0.04 0.00 0.00 34.50 32.01 2dm4 s PRO 33 CO 0.34 -0.10 1.72 0.82 0.04 0.00 0.00 177.00 179.82 2dm4 h ILE 34 N 3.28 0.53 -1.74 0.56 2.04 -1.83 -3.43 117.51 116.91 2dm4 h ILE 34 Ca -0.47 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2dm4 h ILE 34 Cb 1.22 -0.06 -0.21 0.00 -0.74 0.00 0.00 36.82 37.03 2dm4 h ILE 34 CO 0.69 0.10 0.39 -2.28 0.00 0.00 0.00 178.15 177.06 2dm4 s HIS 35 N -5.81 -0.50 -0.04 1.37 5.04 -1.26 -5.11 115.29 108.98 2dm4 s HIS 35 Ca -0.11 0.88 -0.01 0.00 -1.54 0.00 0.00 55.06 54.28 2dm4 s HIS 35 Cb 0.26 0.43 0.03 0.00 0.04 0.00 0.00 32.58 33.34 2dm4 s HIS 35 CO 0.79 -0.44 0.03 0.95 -2.34 0.00 0.00 174.74 173.73 2dm4 s THR 36 N -1.05 0.04 0.27 0.89 -4.23 -1.26 -3.47 115.64 106.83 2dm4 s THR 36 Ca -0.05 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 2dm4 s THR 36 Cb -0.01 -0.24 0.39 0.00 1.34 0.00 0.00 72.50 73.98 2dm4 s THR 36 CO 0.05 0.18 1.39 0.00 -0.54 0.00 0.00 174.62 175.69 2dm4 n HIS 37 N 4.93 0.48 -4.31 3.99 1.44 -1.26 -4.36 115.22 116.13 2dm4 n HIS 37 Ca -0.11 1.08 -0.29 0.00 -2.01 0.00 0.00 57.72 56.39 2dm4 n HIS 37 Cb 0.50 -1.11 -0.11 0.00 0.12 0.00 0.00 29.99 29.39 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2dm4 s GLY 38 N -4.26 1.70 0.08 -1.39 0.00 -1.26 -5.08 107.32 97.12 2dm4 s GLY 38 Ca -0.12 -1.40 -0.37 0.00 0.00 0.00 0.00 44.72 42.83 2dm4 s GLY 38 CO 0.69 -1.39 1.35 -0.10 0.00 0.00 0.00 173.10 173.65 2dm4 n LEU 39 N 0.64 1.67 -4.61 0.66 7.94 -1.26 -4.71 117.00 117.32 2dm4 n LEU 39 Ca -0.15 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.44 2dm4 n LEU 39 Cb 0.53 -1.19 -0.02 0.00 0.53 0.00 0.00 43.42 43.27 2dm4 n LEU 39 CO 0.29 -1.03 1.36 -0.63 -1.11 0.00 0.00 177.39 176.28 2dm4 s ILE 40 N 0.52 3.72 0.05 1.96 1.01 -1.26 -3.88 121.20 123.32 2dm4 s ILE 40 Ca 0.85 0.75 -0.17 0.00 0.00 0.00 0.00 60.65 62.07 2dm4 s ILE 40 Cb -0.95 -3.91 -0.16 0.00 0.01 0.00 0.00 42.46 37.44 2dm4 s ILE 40 CO 0.47 -0.54 1.27 0.03 0.00 0.00 0.00 174.94 176.17 2dm4 h ARG 41 N 11.45 0.54 0.00 2.79 3.08 -1.79 -3.49 114.38 126.96 2dm4 h ARG 41 Ca -0.31 -0.39 0.23 0.00 0.07 0.00 0.00 59.98 59.58 2dm4 h ARG 41 Cb 1.14 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.21 2dm4 h ARG 41 CO 1.05 1.02 0.65 -0.85 -1.07 0.00 0.00 179.97 180.76 2dm4 n GLU 42 N -4.27 0.29 -4.38 0.04 0.28 -1.25 -5.05 120.64 106.29 2dm4 n GLU 42 Ca -0.07 -0.85 -0.26 0.00 -0.16 0.00 0.00 57.16 55.82 2dm4 n GLU 42 Cb 0.56 1.27 -0.17 0.00 1.43 0.00 0.00 31.44 34.53 2dm4 n GLU 42 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2dm4 s TYR 43 N -2.44 1.55 0.17 -1.84 2.02 -1.20 -0.71 117.35 114.90 2dm4 s TYR 43 Ca 0.22 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 2dm4 s TYR 43 Cb -0.01 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2dm4 s TYR 43 CO 0.01 -0.37 0.39 -1.50 -1.57 0.00 0.00 175.55 172.51 2dm4 s ILE 44 N 0.99 5.18 -0.10 2.71 2.07 -0.60 -0.59 121.20 130.86 2dm4 s ILE 44 Ca -0.08 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2dm4 s ILE 44 Cb -0.15 -3.67 0.02 0.00 0.13 0.00 0.00 42.46 38.79 2dm4 s ILE 44 CO -0.00 -0.05 -0.11 0.68 -1.91 0.00 0.00 174.94 173.55 2dm4 s VAL 45 N -1.75 1.18 -0.15 4.00 -7.23 -0.19 -1.32 120.40 114.94 2dm4 s VAL 45 Ca 0.40 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 2dm4 s VAL 45 Cb -0.12 -1.13 -0.00 0.00 0.56 0.00 0.00 36.38 35.70 2dm4 s VAL 45 CO 0.27 0.38 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.67 2dm4 s GLU 46 N 1.18 3.20 0.13 4.82 8.01 0.59 -2.14 118.70 134.50 2dm4 s GLU 46 Ca -0.04 -0.76 0.08 0.00 0.01 0.00 0.00 54.97 54.25 2dm4 s GLU 46 Cb -0.14 -2.60 -0.04 0.00 -4.31 0.00 0.00 34.13 27.04 2dm4 s GLU 46 CO -0.03 0.03 -0.18 1.52 0.01 0.00 0.00 175.26 176.61 2dm4 s TYR 47 N 0.79 1.70 0.03 1.61 1.13 -1.16 -0.12 117.35 121.34 2dm4 s TYR 47 Ca -0.06 -0.47 -0.28 0.00 -1.41 0.00 0.00 57.07 54.85 2dm4 s TYR 47 Cb -0.15 -0.88 0.07 0.00 -1.10 0.00 0.00 41.96 39.90 2dm4 s TYR 47 CO 0.00 0.25 0.66 0.45 -2.51 0.00 0.00 175.55 174.40 2dm4 s SER 48 N -2.38 -0.61 0.33 -0.18 0.15 -0.68 -1.75 113.70 108.59 2dm4 s SER 48 Ca 0.11 0.41 -0.28 0.00 0.70 0.00 0.00 55.95 56.89 2dm4 s SER 48 Cb -0.07 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.70 2dm4 s SER 48 CO 0.05 -0.75 1.18 -0.13 1.20 0.00 0.00 173.24 174.79 2dm4 s ARG 49 N -2.27 4.37 0.35 5.44 0.52 -1.26 -1.46 118.95 124.64 2dm4 s ARG 49 Ca -0.06 1.92 0.22 0.00 -0.52 0.00 0.00 55.73 57.30 2dm4 s ARG 49 Cb -0.00 -2.98 1.24 0.00 0.52 0.00 0.00 34.95 33.72 2dm4 s ARG 49 CO 0.00 -0.07 1.39 0.45 0.02 0.00 0.00 175.30 177.10 2dm4 n SER 50 N 0.70 0.27 -3.72 0.23 2.88 -0.47 -2.74 113.62 110.77 2dm4 n SER 50 Ca 0.01 1.39 -0.29 0.00 -1.33 0.00 0.00 58.87 58.64 2dm4 n SER 50 Cb 0.45 -0.68 -0.13 0.00 -0.75 0.00 0.00 64.21 63.10 2dm4 n SER 50 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dm4 s GLY 51 N -4.27 1.75 -0.25 0.46 0.00 -1.26 -5.07 107.32 98.67 2dm4 s GLY 51 Ca -0.07 -2.67 -0.28 0.00 0.00 0.00 0.00 44.72 41.70 2dm4 s GLY 51 CO 0.70 1.51 1.22 -0.56 0.00 0.00 0.00 173.10 175.98 2dm4 s SER 52 N 0.25 -0.20 -0.42 1.64 0.01 -1.11 -5.03 113.70 108.84 2dm4 s SER 52 Ca 0.18 0.29 0.03 0.00 1.31 0.00 0.00 55.95 57.76 2dm4 s SER 52 Cb -0.23 0.26 0.56 0.00 0.21 0.00 0.00 66.02 66.83 2dm4 s SER 52 CO -0.01 -0.14 1.83 0.29 0.41 0.00 0.00 173.24 175.63 2dm4 n LYS 53 N 1.10 2.14 -3.93 12.44 5.02 -1.26 -4.75 118.16 128.93 2dm4 n LYS 53 Ca -0.07 -2.67 -0.31 0.00 -2.02 0.00 0.00 58.31 53.24 2dm4 n LYS 53 Cb 0.58 -2.05 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 2dm4 n LYS 53 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dm4 s MET 54 N -2.95 1.43 -0.23 1.97 -1.94 -1.26 -5.10 119.30 111.22 2dm4 s MET 54 Ca 0.51 -1.28 -0.04 0.00 -1.71 0.00 0.00 55.69 53.16 2dm4 s MET 54 Cb 0.42 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.60 2dm4 s MET 54 CO 0.08 -0.77 -0.02 -1.58 -0.01 0.00 0.00 175.02 172.72 2dm4 s TRP 55 N 1.28 3.00 0.74 -0.03 0.52 -1.26 -4.50 118.94 118.69 2dm4 s TRP 55 Ca 0.02 -0.94 -0.08 0.00 0.02 0.00 0.00 56.10 55.12 2dm4 s TRP 55 Cb -0.19 -2.13 0.08 0.00 -1.15 0.00 0.00 33.47 30.08 2dm4 s TRP 55 CO -0.10 -0.55 1.06 0.00 0.02 0.00 0.00 176.95 177.38 2dm4 s ALA 56 N 1.48 3.05 -0.13 0.98 0.00 -0.71 -4.90 121.76 121.53 2dm4 s ALA 56 Ca 0.05 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2dm4 s ALA 56 Cb -0.15 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.39 2dm4 s ALA 56 CO -0.02 -1.45 0.48 -1.54 0.00 0.00 0.00 175.76 173.23 2dm4 s SER 57 N -4.57 -0.46 -0.08 0.00 1.04 -1.26 -2.97 113.70 105.40 2dm4 s SER 57 Ca 0.62 0.75 -0.23 0.00 0.48 0.00 0.00 55.95 57.57 2dm4 s SER 57 Cb -0.10 0.79 0.05 0.00 0.10 0.00 0.00 66.02 66.86 2dm4 s SER 57 CO 0.46 -0.30 0.54 0.00 0.98 0.00 0.00 173.24 174.92 2dm4 s GLN 58 N -0.30 0.85 0.34 4.02 -2.07 -0.91 -4.97 119.66 116.62 2dm4 s GLN 58 Ca -0.05 0.24 -0.21 0.00 -1.82 0.00 0.00 55.36 53.52 2dm4 s GLN 58 Cb -0.03 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 2dm4 s GLN 58 CO 0.03 -0.23 0.86 1.03 -1.32 0.00 0.00 175.29 175.66 2dm4 s ARG 59 N -0.90 4.29 -0.09 9.60 3.00 -1.26 -1.02 118.95 132.58 2dm4 s ARG 59 Ca -0.09 1.04 -0.01 0.00 0.00 0.00 0.00 55.73 56.67 2dm4 s ARG 59 Cb -0.03 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.40 2dm4 s ARG 59 CO 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 175.30 175.51 2dm4 s ALA 60 N -1.84 0.98 0.07 2.13 0.00 0.24 -4.93 121.76 118.40 2dm4 s ALA 60 Ca 0.53 -0.30 -0.33 0.00 0.00 0.00 0.00 51.96 51.86 2dm4 s ALA 60 Cb -0.14 -0.78 -0.19 0.00 0.00 0.00 0.00 23.12 22.02 2dm4 s ALA 60 CO 0.19 -0.38 1.62 0.00 0.00 0.00 0.00 175.76 177.19 2dm4 h ALA 61 N 8.11 -0.91 -3.99 0.00 0.00 -1.84 -3.18 119.26 117.45 2dm4 h ALA 61 Ca -0.26 -0.20 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 2dm4 h ALA 61 Cb 1.13 0.35 0.07 0.00 0.00 0.00 0.00 17.79 19.34 2dm4 h ALA 61 CO 0.35 -1.01 0.14 0.43 0.00 0.00 0.00 179.25 179.15 2dm4 n SER 62 N -5.48 0.35 -1.34 0.00 7.64 -1.26 -4.79 113.62 108.74 2dm4 n SER 62 Ca -0.14 -1.40 -0.06 0.00 1.01 0.00 0.00 58.87 58.29 2dm4 n SER 62 Cb 0.37 -0.42 0.04 0.00 -1.01 0.00 0.00 64.21 63.19 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -3.20 3.65 -3.46 6.43 4.13 -1.26 -4.81 115.26 116.73 2dm4 n ASN 63 Ca 0.08 -2.41 -0.12 0.00 1.68 0.00 0.00 54.58 53.81 2dm4 n ASN 63 Cb 0.29 -0.67 -0.03 0.00 -1.54 0.00 0.00 39.78 37.83 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N -0.73 -0.49 0.18 3.10 -0.71 -1.26 -1.45 117.98 116.62 2dm4 s PHE 64 Ca 0.13 0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 56.20 2dm4 s PHE 64 Cb 0.11 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.42 2dm4 s PHE 64 CO 0.02 -0.80 0.40 -0.08 -1.34 0.00 0.00 175.22 173.42 2dm4 s THR 65 N -3.55 0.04 -0.39 -4.49 -1.32 0.45 -4.70 115.64 101.70 2dm4 s THR 65 Ca 0.00 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.37 2dm4 s THR 65 Cb -0.01 -1.74 0.11 0.00 -1.51 0.00 0.00 72.50 69.35 2dm4 s THR 65 CO -0.11 -0.20 0.15 -1.61 -2.21 0.00 0.00 174.62 170.63 2dm4 s GLU 66 N -3.93 1.79 -0.68 7.08 2.02 -1.26 0.04 118.70 123.76 2dm4 s GLU 66 Ca 0.14 -1.89 -0.27 0.00 0.02 0.00 0.00 54.97 52.96 2dm4 s GLU 66 Cb 0.01 -3.42 0.03 0.00 0.10 0.00 0.00 34.13 30.85 2dm4 s GLU 66 CO -0.01 -1.02 1.25 0.42 0.02 0.00 0.00 175.26 175.92 2dm4 s ILE 67 N 0.95 3.83 0.59 -1.63 1.01 0.12 -4.84 121.20 121.23 2dm4 s ILE 67 Ca 0.10 0.59 0.09 0.00 0.00 0.00 0.00 60.65 61.43 2dm4 s ILE 67 Cb -0.21 -4.85 0.09 0.00 0.01 0.00 0.00 42.46 37.50 2dm4 s ILE 67 CO -0.06 -1.67 0.75 -0.54 0.00 0.00 0.00 174.94 173.43 2dm4 s LYS 68 N 5.46 2.25 -0.65 2.79 1.02 -1.26 0.52 119.74 129.86 2dm4 s LYS 68 Ca 0.38 -1.74 -0.04 0.00 0.02 0.00 0.00 55.97 54.59 2dm4 s LYS 68 Cb -0.08 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2dm4 s LYS 68 CO 0.19 -0.89 0.57 0.09 -0.92 0.00 0.00 175.35 174.39 2dm4 n ASN 69 N -2.21 -3.87 -4.60 2.83 3.02 -1.14 -4.93 115.26 104.35 2dm4 n ASN 69 Ca 0.14 -0.27 -0.24 0.00 -0.03 0.00 0.00 54.58 54.18 2dm4 n ASN 69 Cb 0.62 -2.71 -0.08 0.00 -0.61 0.00 0.00 39.78 37.00 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -4.07 2.96 -0.15 3.41 1.43 0.67 -5.06 118.68 117.88 2dm4 s LEU 70 Ca 0.25 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.32 2dm4 s LEU 70 Cb -0.11 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 2dm4 s LEU 70 CO 0.35 -0.08 0.39 -0.76 0.23 0.00 0.00 176.35 176.48 2dm4 s LEU 71 N -3.65 4.25 0.86 1.79 1.43 -1.26 -4.23 118.68 117.86 2dm4 s LEU 71 Ca 0.32 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2dm4 s LEU 71 Cb -0.04 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.77 2dm4 s LEU 71 CO 0.18 0.03 1.17 0.68 0.23 0.00 0.00 176.35 178.65 2dm4 s VAL 72 N 0.64 2.12 -1.63 -1.59 -7.23 -1.26 -3.02 120.40 108.43 2dm4 s VAL 72 Ca 0.21 0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 60.27 2dm4 s VAL 72 Cb -0.14 -2.26 0.13 0.00 0.56 0.00 0.00 36.38 34.66 2dm4 s VAL 72 CO 0.07 -0.05 0.83 -0.46 -0.31 0.00 0.00 175.10 175.18 2dm4 n ASN 73 N -3.76 -3.57 -3.77 4.85 0.23 -1.12 -4.90 115.26 103.21 2dm4 n ASN 73 Ca 0.12 -0.94 -0.23 0.00 -0.53 0.00 0.00 54.58 53.01 2dm4 n ASN 73 Cb 0.51 -3.13 -0.18 0.00 -2.08 0.00 0.00 39.78 34.91 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2dm4 s THR 74 N -3.34 0.36 -0.03 5.53 2.01 -1.17 -4.87 115.64 114.13 2dm4 s THR 74 Ca 0.67 0.13 -0.32 0.00 0.31 0.00 0.00 61.69 62.48 2dm4 s THR 74 Cb -0.36 -0.51 -0.10 0.00 0.01 0.00 0.00 72.50 71.54 2dm4 s THR 74 CO 0.90 0.25 1.93 -0.11 -0.69 0.00 0.00 174.62 176.90 2dm4 n LEU 75 N 5.11 3.79 -4.21 4.42 -0.00 -1.26 -3.39 117.00 121.46 2dm4 n LEU 75 Ca -0.08 0.93 -0.32 0.00 -0.00 0.00 0.00 56.01 56.54 2dm4 n LEU 75 Cb 0.50 -1.45 -0.17 0.00 -0.00 0.00 0.00 43.42 42.30 2dm4 n LEU 75 CO 0.11 0.06 -0.56 -0.31 -0.00 0.00 0.00 177.39 176.70 2dm4 s TYR 76 N 4.34 2.55 -0.27 1.96 2.02 0.40 -1.37 117.35 126.97 2dm4 s TYR 76 Ca 0.91 -1.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 2dm4 s TYR 76 Cb -0.57 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.26 2dm4 s TYR 76 CO 0.47 -0.43 0.12 0.99 -1.57 0.00 0.00 175.55 175.13 2dm4 s THR 77 N 0.37 4.60 0.06 -0.71 2.01 -0.53 -1.68 115.64 119.75 2dm4 s THR 77 Ca -0.18 -0.17 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2dm4 s THR 77 Cb -0.18 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2dm4 s THR 77 CO 0.08 0.25 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 2dm4 s VAL 78 N 1.65 3.41 -0.06 3.82 1.01 -0.23 -1.69 120.40 128.30 2dm4 s VAL 78 Ca 0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2dm4 s VAL 78 Cb -0.16 -2.53 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2dm4 s VAL 78 CO 0.06 0.25 0.13 0.00 0.00 0.00 0.00 175.10 175.54 2dm4 s ARG 79 N -1.80 0.10 0.11 2.72 1.70 0.84 -0.99 118.95 121.63 2dm4 s ARG 79 Ca 0.19 0.29 0.04 0.00 -0.47 0.00 0.00 55.73 55.78 2dm4 s ARG 79 Cb -0.11 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.13 2dm4 s ARG 79 CO 0.10 -0.12 0.07 0.08 -1.08 0.00 0.00 175.30 174.36 2dm4 s VAL 80 N 0.80 4.36 -0.05 4.99 1.01 -1.26 -0.30 120.40 129.94 2dm4 s VAL 80 Ca -0.06 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 2dm4 s VAL 80 Cb -0.08 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.20 2dm4 s VAL 80 CO -0.04 0.05 0.13 0.00 0.00 0.00 0.00 175.10 175.24 2dm4 s ALA 81 N -1.48 -0.25 -0.15 5.51 0.00 -0.44 -1.23 121.76 123.72 2dm4 s ALA 81 Ca 0.29 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 2dm4 s ALA 81 Cb -0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 2dm4 s ALA 81 CO 0.21 -0.12 0.99 0.00 0.00 0.00 0.00 175.76 176.84 2dm4 s ALA 82 N 0.75 3.49 0.08 0.00 0.00 -1.26 -1.56 121.76 123.26 2dm4 s ALA 82 Ca -0.06 0.27 -0.16 0.00 0.00 0.00 0.00 51.96 52.02 2dm4 s ALA 82 Cb -0.08 -3.43 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 2dm4 s ALA 82 CO -0.03 -0.72 0.51 0.08 0.00 0.00 0.00 175.76 175.60 2dm4 s VAL 83 N 2.33 4.87 0.30 0.00 1.01 0.11 -2.23 120.40 126.79 2dm4 s VAL 83 Ca 0.46 0.94 0.04 0.00 0.00 0.00 0.00 61.98 63.42 2dm4 s VAL 83 Cb -0.17 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 2dm4 s VAL 83 CO 0.14 0.43 0.02 0.42 0.00 0.00 0.00 175.10 176.11 2dm4 s THR 84 N -1.25 1.26 0.29 3.92 -4.23 0.17 -2.35 115.64 113.45 2dm4 s THR 84 Ca 0.31 -2.03 0.14 0.00 -1.18 0.00 0.00 61.69 58.94 2dm4 s THR 84 Cb -0.17 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.30 2dm4 s THR 84 CO 0.18 -0.11 1.25 -1.54 -0.54 0.00 0.00 174.62 173.86 2dm4 n SER 85 N -0.62 0.22 0.07 3.99 3.41 -1.25 -0.77 113.62 118.66 2dm4 n SER 85 Ca -0.03 1.32 -0.03 0.00 -0.26 0.00 0.00 58.87 59.86 2dm4 n SER 85 Cb 0.66 -0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2dm4 h ARG 86 N 0.00 -0.21 0.00 4.33 2.43 -1.95 -3.51 114.38 115.47 2dm4 h ARG 86 Ca 0.64 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 2dm4 h ARG 86 Cb 1.66 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.26 2dm4 h ARG 86 CO -0.63 -0.14 0.00 0.41 -1.51 0.00 0.00 179.97 178.10 2dm4 n GLY 87 N 0.98 -0.60 3.76 2.80 0.00 0.05 -5.14 105.19 107.04 2dm4 n GLY 87 Ca -0.03 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -3.18 3.12 0.00 -0.61 1.01 -1.26 -0.65 121.20 119.62 2dm4 s ILE 88 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 60.65 61.75 2dm4 s ILE 88 Cb 0.00 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2dm4 s ILE 88 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2dm4 n GLY 89 N 0.94 2.22 3.46 6.18 0.00 -0.95 -4.94 105.19 112.10 2dm4 n GLY 89 Ca 0.00 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 2dm4 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm4 s ASN 90 N -0.81 0.67 -0.12 1.61 0.01 -1.26 -4.85 114.94 110.19 2dm4 s ASN 90 Ca 0.00 1.54 -0.03 0.00 -0.71 0.00 0.00 52.86 53.66 2dm4 s ASN 90 Cb 0.00 -2.35 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 2dm4 s ASN 90 CO 0.00 -4.40 -0.03 0.26 -1.51 0.00 0.00 177.10 171.42 2dm4 s TRP 91 N -2.39 3.06 0.27 2.20 0.52 -1.26 -4.35 118.94 116.99 2dm4 s TRP 91 Ca 0.69 -0.09 -0.29 0.00 0.02 0.00 0.00 56.10 56.43 2dm4 s TRP 91 Cb -0.26 -1.88 -0.09 0.00 -1.15 0.00 0.00 33.47 30.09 2dm4 s TRP 91 CO 0.66 0.17 1.13 -1.54 0.02 0.00 0.00 176.95 177.39 2dm4 s SER 92 N -0.17 7.21 -0.75 2.95 1.04 -0.37 -4.82 113.70 118.78 2dm4 s SER 92 Ca 0.04 2.30 -0.25 0.00 0.48 0.00 0.00 55.95 58.51 2dm4 s SER 92 Cb -0.13 -2.63 -0.17 0.00 0.10 0.00 0.00 66.02 63.20 2dm4 s SER 92 CO 0.02 -0.20 2.08 0.47 0.98 0.00 0.00 173.24 176.59 2dm4 n ASP 93 N 1.33 0.25 -4.05 7.02 9.92 -1.26 -4.43 116.55 125.34 2dm4 n ASP 93 Ca -0.00 0.17 -0.36 0.00 -0.53 0.00 0.00 54.79 54.06 2dm4 n ASP 93 Cb 0.45 -0.72 0.05 0.00 -0.64 0.00 0.00 41.12 40.26 2dm4 n ASP 93 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2dm4 n SER 94 N 8.06 -4.62 -3.76 -2.24 3.41 -1.26 -4.84 113.62 108.36 2dm4 n SER 94 Ca 0.51 0.12 -0.17 0.00 -0.26 0.00 0.00 58.87 59.07 2dm4 n SER 94 Cb 0.02 -0.73 -0.17 0.00 -0.26 0.00 0.00 64.21 63.07 2dm4 n SER 94 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dm4 s LYS 95 N -2.21 0.08 -0.11 4.33 -0.14 -0.16 -4.96 119.74 116.57 2dm4 s LYS 95 Ca 0.41 0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 55.16 2dm4 s LYS 95 Cb -0.09 -0.40 -0.04 0.00 -1.68 0.00 0.00 37.83 35.62 2dm4 s LYS 95 CO 0.76 -0.20 0.09 -1.54 -0.76 0.00 0.00 175.35 173.70 2dm4 s SER 96 N 1.34 5.97 -0.07 2.83 1.04 -1.26 -1.07 113.70 122.48 2dm4 s SER 96 Ca -0.06 0.35 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 2dm4 s SER 96 Cb -0.13 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 64.16 2dm4 s SER 96 CO -0.03 0.40 0.27 -0.51 0.98 0.00 0.00 173.24 174.35 2dm4 s ILE 97 N -0.98 0.03 -0.60 -1.02 2.07 -0.68 -4.94 121.20 115.08 2dm4 s ILE 97 Ca 0.14 -0.21 -0.18 0.00 -1.41 0.00 0.00 60.65 59.00 2dm4 s ILE 97 Cb -0.12 -0.45 0.12 0.00 0.13 0.00 0.00 42.46 42.14 2dm4 s ILE 97 CO 0.03 -0.11 0.65 -0.89 -1.91 0.00 0.00 174.94 172.70 2dm4 s THR 98 N -0.42 5.00 1.03 4.00 2.01 -1.26 -0.46 115.64 125.55 2dm4 s THR 98 Ca -0.05 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.45 2dm4 s THR 98 Cb -0.04 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 2dm4 s THR 98 CO 0.01 -1.04 -0.76 0.35 -0.69 0.00 0.00 174.62 172.50 2dm4 n THR 99 N 5.35 0.00 -4.26 -0.82 -2.24 -1.22 -4.79 114.28 106.30 2dm4 n THR 99 Ca -0.09 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 2dm4 n THR 99 Cb 0.42 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.26 2dm4 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2dm4 s ILE 100 N -2.10 1.48 -0.92 2.28 -4.36 -1.26 -2.79 121.20 113.53 2dm4 s ILE 100 Ca 0.42 -1.72 -0.08 0.00 -0.26 0.00 0.00 60.65 59.02 2dm4 s ILE 100 Cb 0.01 -1.58 0.23 0.00 1.25 0.00 0.00 42.46 42.37 2dm4 s ILE 100 CO 0.61 -0.34 0.85 -0.75 0.24 0.00 0.00 174.94 175.55 2dm4 s LYS 101 N -2.54 3.59 0.00 0.37 2.20 -1.26 -4.42 119.74 117.68 2dm4 s LYS 101 Ca 0.09 -2.95 0.00 0.00 -0.36 0.00 0.00 55.97 52.75 2dm4 s LYS 101 Cb -0.06 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 2dm4 s LYS 101 CO 0.04 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.19 2dm4 n GLY 102 N 3.03 2.33 2.35 5.54 0.00 -1.26 -4.90 105.19 112.28 2dm4 n GLY 102 Ca 0.19 -1.89 -0.21 0.00 0.00 0.00 0.00 46.02 44.11 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dm4 n SER 103 N 0.00 4.10 0.00 1.61 3.41 -1.26 -5.09 113.62 116.39 2dm4 n SER 103 Ca 0.00 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 2dm4 n SER 103 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2dm4 n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm4 n GLY 104 N -0.54 -1.43 3.77 5.00 0.00 -1.26 -4.96 105.19 105.76 2dm4 n GLY 104 Ca 0.34 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 2dm4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm4 s PRO 105 N 0.00 2.52 -0.35 1.61 0.04 -1.26 -5.04 135.00 132.52 2dm4 s PRO 105 Ca 0.00 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.33 2dm4 s PRO 105 Cb 0.00 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2dm4 s PRO 105 CO 0.00 -1.45 0.13 -1.54 0.04 0.00 0.00 177.00 174.17 2dm4 s SER 106 N -3.00 4.07 0.17 6.66 1.04 -1.26 -5.11 113.70 116.28 2dm4 s SER 106 Ca 0.64 -1.99 -0.01 0.00 0.48 0.00 0.00 55.95 55.07 2dm4 s SER 106 Cb -0.19 -1.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 2dm4 s SER 106 CO 0.49 -0.37 0.09 -0.44 0.98 0.00 0.00 173.24 173.99 2dm4 s SER 107 N 1.16 0.36 0.00 7.02 0.01 -1.26 -5.28 113.70 115.71 2dm4 s SER 107 Ca 0.12 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2dm4 s SER 107 Cb -0.19 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.35 2dm4 s SER 107 CO -0.16 -0.77 0.27 0.61 0.41 0.00 0.00 173.24 173.60