#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 5.13 1.17 1.61 0.01 -1.26 -5.09 113.70 115.26 2dm4 s SER 2 Ca 0.00 -2.63 -0.17 0.00 1.31 0.00 0.00 55.95 54.46 2dm4 s SER 2 Cb 0.00 -1.82 0.21 0.00 0.21 0.00 0.00 66.02 64.62 2dm4 s SER 2 CO 0.00 -0.40 0.39 -0.24 0.41 0.00 0.00 173.24 173.40 2dm4 n SER 3 N 3.77 -2.84 0.00 2.44 2.88 -1.26 -4.91 113.62 113.69 2dm4 n SER 3 Ca 0.05 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.23 2dm4 n SER 3 Cb 0.38 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.90 2dm4 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 4 N 2.01 0.68 2.42 0.46 0.00 -1.26 -4.98 105.19 104.52 2dm4 n GLY 4 Ca 0.05 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 2dm4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dm4 n SER 5 N 0.00 7.47 -4.37 1.61 2.88 -1.26 -4.96 113.62 114.99 2dm4 n SER 5 Ca 0.00 -3.80 -0.19 0.00 -1.33 0.00 0.00 58.87 53.55 2dm4 n SER 5 Cb 0.00 -0.95 -0.10 0.00 -0.75 0.00 0.00 64.21 62.41 2dm4 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dm4 s SER 6 N -1.83 2.50 0.21 -3.46 0.01 -1.26 -4.95 113.70 104.92 2dm4 s SER 6 Ca 0.62 -1.12 -0.22 0.00 1.31 0.00 0.00 55.95 56.53 2dm4 s SER 6 Cb 0.49 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.66 2dm4 s SER 6 CO -0.08 -0.30 0.93 -0.83 0.41 0.00 0.00 173.24 173.37 2dm4 s GLY 7 N -3.36 -0.03 0.00 3.44 0.00 -1.26 -5.01 107.32 101.10 2dm4 s GLY 7 Ca 0.26 -0.19 0.15 0.00 0.00 0.00 0.00 44.72 44.94 2dm4 s GLY 7 CO 0.09 0.64 1.42 -1.55 0.00 0.00 0.00 173.10 173.70 2dm4 n PRO 8 N -0.55 0.14 -0.32 2.90 -0.04 -1.26 -3.67 135.00 132.19 2dm4 n PRO 8 Ca -0.05 0.18 0.17 0.00 -0.04 0.00 0.00 63.50 63.76 2dm4 n PRO 8 Cb 0.60 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.90 2dm4 n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2dm4 h ASP 9 N 0.00 -0.20 -4.19 3.54 3.32 -1.82 -3.33 116.42 113.75 2dm4 h ASP 9 Ca 0.00 0.25 -0.47 0.00 0.02 0.00 0.00 57.03 56.84 2dm4 h ASP 9 Cb 0.17 0.38 0.13 0.00 0.22 0.00 0.00 39.33 40.24 2dm4 h ASP 9 CO 0.00 -0.31 0.29 0.00 -1.72 0.00 0.00 179.24 177.50 2dm4 s ALA 10 N -5.90 1.75 1.18 3.45 0.00 -1.24 -4.42 121.76 116.58 2dm4 s ALA 10 Ca -0.12 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.30 2dm4 s ALA 10 Cb 0.29 -3.07 0.22 0.00 0.00 0.00 0.00 23.12 20.55 2dm4 s ALA 10 CO 0.78 -2.24 0.77 -0.35 0.00 0.00 0.00 175.76 174.72 2dm4 n PRO 11 N -3.75 -2.53 -3.87 0.00 -0.04 -1.26 -4.20 135.00 119.34 2dm4 n PRO 11 Ca 0.06 -1.24 -0.09 0.00 -0.04 0.00 0.00 63.50 62.19 2dm4 n PRO 11 Cb 0.58 -1.16 -0.08 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.75 0.74 -1.00 0.54 0.52 -1.08 -4.87 118.95 109.04 2dm4 s ARG 12 Ca 0.50 -0.81 -0.03 0.00 -0.52 0.00 0.00 55.73 54.87 2dm4 s ARG 12 Cb -0.05 0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.69 2dm4 s ARG 12 CO 0.39 -0.22 0.86 -1.71 0.02 0.00 0.00 175.30 174.63 2dm4 n ASN 13 N 0.34 -4.10 -4.60 0.23 5.15 -1.26 0.30 115.26 111.33 2dm4 n ASN 13 Ca -0.17 -0.59 -0.43 0.00 -0.60 0.00 0.00 54.58 52.79 2dm4 n ASN 13 Cb 0.60 -4.67 -0.02 0.00 -0.53 0.00 0.00 39.78 35.16 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 -5.51 3.55 -0.11 1.20 2.96 -1.26 -4.17 118.68 115.33 2dm4 s LEU 14 Ca 0.21 0.75 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 2dm4 s LEU 14 Cb -0.03 -3.45 0.01 0.00 0.50 0.00 0.00 46.19 43.23 2dm4 s LEU 14 CO 0.66 -1.51 -0.17 -1.10 -1.32 0.00 0.00 176.35 172.91 2dm4 s GLN 15 N 5.09 2.42 -0.24 1.98 -0.21 -0.75 -4.92 119.66 123.03 2dm4 s GLN 15 Ca 0.61 -0.64 -0.16 0.00 0.02 0.00 0.00 55.36 55.18 2dm4 s GLN 15 Cb -0.13 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.85 2dm4 s GLN 15 CO 0.31 -0.01 0.43 -0.51 -2.12 0.00 0.00 175.29 173.39 2dm4 s LEU 16 N 0.83 4.08 0.44 2.90 1.43 -1.26 -1.72 118.68 125.37 2dm4 s LEU 16 Ca -0.09 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.51 2dm4 s LEU 16 Cb -0.16 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 2dm4 s LEU 16 CO 0.00 -0.18 0.07 -0.44 0.23 0.00 0.00 176.35 176.03 2dm4 s SER 17 N 1.42 4.09 -0.03 2.29 0.01 -0.39 -4.94 113.70 116.16 2dm4 s SER 17 Ca 0.18 -1.35 0.04 0.00 1.31 0.00 0.00 55.95 56.13 2dm4 s SER 17 Cb -0.15 -0.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.87 2dm4 s SER 17 CO 0.09 -0.58 -0.13 -0.76 0.41 0.00 0.00 173.24 172.27 2dm4 s LEU 18 N -3.81 1.88 0.01 2.44 1.02 -1.26 0.16 118.68 119.11 2dm4 s LEU 18 Ca 0.31 -0.26 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 2dm4 s LEU 18 Cb 0.06 -0.73 -0.06 0.00 0.02 0.00 0.00 46.19 45.48 2dm4 s LEU 18 CO 0.16 0.12 1.44 -2.16 0.02 0.00 0.00 176.35 175.93 2dm4 s PRO 19 N 0.03 4.27 0.00 1.29 0.04 -1.26 -4.88 135.00 134.49 2dm4 s PRO 19 Ca -0.01 2.03 0.16 0.00 0.04 0.00 0.00 61.00 63.21 2dm4 s PRO 19 Cb -0.09 -3.57 0.91 0.00 0.04 0.00 0.00 34.50 31.79 2dm4 s PRO 19 CO 0.01 -0.60 1.40 2.89 0.04 0.00 0.00 177.00 180.74 2dm4 n ARG 20 N 5.38 0.42 -0.29 4.56 1.85 -1.26 -1.97 116.66 125.35 2dm4 n ARG 20 Ca 0.14 0.04 0.06 0.00 -1.00 0.00 0.00 57.85 57.09 2dm4 n ARG 20 Cb 0.43 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.09 0.84 -3.62 2.89 1.02 -1.26 -4.84 120.64 114.58 2dm4 n GLU 21 Ca 0.11 -2.10 -0.15 0.00 -0.02 0.00 0.00 57.16 55.00 2dm4 n GLU 21 Cb 0.08 -1.13 -0.07 0.00 -0.02 0.00 0.00 31.44 30.29 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 -1.88 -1.58 0.43 0.62 0.00 -0.83 -5.18 121.76 113.34 2dm4 s ALA 22 Ca 0.22 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.82 2dm4 s ALA 22 Cb 0.20 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2dm4 s ALA 22 CO 0.01 -0.32 0.36 -1.21 0.00 0.00 0.00 175.76 174.60 2dm4 s GLU 23 N -0.23 2.47 -0.51 0.00 2.02 -1.26 -4.28 118.70 116.91 2dm4 s GLU 23 Ca -0.04 -1.61 0.00 0.00 0.02 0.00 0.00 54.97 53.33 2dm4 s GLU 23 Cb -0.03 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.89 2dm4 s GLU 23 CO 0.04 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.50 2dm4 n GLY 24 N -1.53 -0.39 3.07 -1.39 0.00 -1.26 -4.81 105.19 98.88 2dm4 n GLY 24 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.21 1.08 -0.25 1.61 1.01 -1.26 -0.93 120.40 119.45 2dm4 s VAL 25 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2dm4 s VAL 25 Cb 0.00 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.51 2dm4 s VAL 25 CO 0.00 0.32 -0.09 -0.63 0.00 0.00 0.00 175.10 174.70 2dm4 s ILE 26 N 0.01 1.93 -0.73 2.22 1.01 0.63 -4.15 121.20 122.13 2dm4 s ILE 26 Ca -0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 60.65 58.91 2dm4 s ILE 26 Cb -0.09 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.32 2dm4 s ILE 26 CO 0.01 -0.03 1.39 -0.69 0.00 0.00 0.00 174.94 175.61 2dm4 s VAL 27 N 1.21 3.66 -0.03 2.92 1.01 0.41 -0.56 120.40 129.03 2dm4 s VAL 27 Ca -0.07 0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 2dm4 s VAL 27 Cb -0.19 -4.75 -0.03 0.00 0.00 0.00 0.00 36.38 31.41 2dm4 s VAL 27 CO -0.06 -1.69 1.06 -0.83 0.00 0.00 0.00 175.10 173.58 2dm4 s GLY 28 N 4.55 2.55 0.17 4.51 0.00 0.19 -1.26 107.32 118.04 2dm4 s GLY 28 Ca 0.41 0.56 0.08 0.00 0.00 0.00 0.00 44.72 45.76 2dm4 s GLY 28 CO 0.15 1.89 -0.16 0.30 0.00 0.00 0.00 173.10 175.28 2dm4 s HIS 29 N 1.48 1.69 0.14 1.90 3.76 -0.70 0.64 115.29 124.21 2dm4 s HIS 29 Ca 0.53 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.67 2dm4 s HIS 29 Cb -0.22 -0.83 0.08 0.00 1.11 0.00 0.00 32.58 32.72 2dm4 s HIS 29 CO 0.24 0.30 1.08 1.67 -0.85 0.00 0.00 174.74 177.19 2dm4 s TRP 30 N -2.44 0.04 0.35 1.40 -2.14 -0.80 -1.82 118.94 113.53 2dm4 s TRP 30 Ca 0.17 -0.37 0.08 0.00 2.66 0.00 0.00 56.10 58.64 2dm4 s TRP 30 Cb -0.03 0.67 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 2dm4 s TRP 30 CO 0.06 -0.78 0.14 0.00 -2.66 0.00 0.00 176.95 173.71 2dm4 s ALA 31 N -2.26 3.49 0.44 2.67 0.00 0.15 -4.75 121.76 121.49 2dm4 s ALA 31 Ca 0.22 -1.87 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 2dm4 s ALA 31 Cb -0.02 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.35 2dm4 s ALA 31 CO 0.04 0.02 1.17 -1.25 0.00 0.00 0.00 175.76 175.74 2dm4 s PRO 32 N -3.84 3.87 -0.03 0.00 0.04 -1.26 -2.63 135.00 131.14 2dm4 s PRO 32 Ca 0.38 1.82 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 2dm4 s PRO 32 Cb -0.02 -2.52 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 2dm4 s PRO 32 CO 0.22 -0.47 1.48 -1.25 0.04 0.00 0.00 177.00 177.02 2dm4 s PRO 33 N -2.54 4.24 0.26 0.56 0.04 -1.26 -4.62 135.00 131.68 2dm4 s PRO 33 Ca 0.61 2.02 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 2dm4 s PRO 33 Cb -0.30 -3.73 0.51 0.00 0.04 0.00 0.00 34.50 31.03 2dm4 s PRO 33 CO 0.37 -0.69 1.42 -0.89 0.04 0.00 0.00 177.00 177.25 2dm4 n ILE 34 N 5.02 -0.38 -3.70 0.56 5.41 -1.25 -4.51 119.36 120.50 2dm4 n ILE 34 Ca 0.15 2.06 -0.13 0.00 1.00 0.00 0.00 62.75 65.82 2dm4 n ILE 34 Cb 0.43 -2.90 -0.09 0.00 -0.71 0.00 0.00 39.64 36.37 2dm4 n ILE 34 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2dm4 s HIS 35 N -6.06 -0.52 0.08 1.39 3.76 -1.26 -5.08 115.29 107.60 2dm4 s HIS 35 Ca -0.13 1.25 0.08 0.00 -0.15 0.00 0.00 55.06 56.11 2dm4 s HIS 35 Cb 0.25 0.19 -0.03 0.00 1.11 0.00 0.00 32.58 34.10 2dm4 s HIS 35 CO 0.71 -0.28 -0.21 0.95 -0.85 0.00 0.00 174.74 175.07 2dm4 s THR 36 N 0.14 1.70 0.20 1.30 -4.23 -1.26 -2.29 115.64 111.20 2dm4 s THR 36 Ca -0.01 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 2dm4 s THR 36 Cb -0.03 -1.52 0.28 0.00 1.34 0.00 0.00 72.50 72.56 2dm4 s THR 36 CO 0.01 0.03 1.24 1.41 -0.54 0.00 0.00 174.62 176.77 2dm4 n HIS 37 N 1.34 0.16 0.00 3.99 8.25 -1.26 -4.70 115.22 123.00 2dm4 n HIS 37 Ca -0.19 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.25 2dm4 n HIS 37 Cb 0.53 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.76 2dm4 n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dm4 n GLY 38 N -1.44 3.94 3.59 -1.41 0.00 -1.26 -5.12 105.19 103.49 2dm4 n GLY 38 Ca 0.11 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2dm4 n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm4 s LEU 39 N 0.00 3.71 -0.21 0.99 0.20 -1.26 -5.03 118.68 117.07 2dm4 s LEU 39 Ca 0.00 0.02 -0.29 0.00 0.69 0.00 0.00 54.13 54.54 2dm4 s LEU 39 Cb 0.00 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.80 2dm4 s LEU 39 CO 0.00 0.14 1.46 -0.63 -0.29 0.00 0.00 176.35 177.03 2dm4 s ILE 40 N 0.57 3.93 -0.08 6.68 1.01 -1.26 -3.85 121.20 128.20 2dm4 s ILE 40 Ca 0.03 1.08 -0.05 0.00 0.00 0.00 0.00 60.65 61.71 2dm4 s ILE 40 Cb -0.13 -3.86 -0.27 0.00 0.01 0.00 0.00 42.46 38.21 2dm4 s ILE 40 CO 0.01 -0.28 0.54 0.03 0.00 0.00 0.00 174.94 175.24 2dm4 h ARG 41 N 9.64 0.26 -1.91 2.79 3.08 -1.84 -3.50 114.38 122.90 2dm4 h ARG 41 Ca -0.31 -0.44 0.28 0.00 0.07 0.00 0.00 59.98 59.58 2dm4 h ARG 41 Cb 1.13 0.16 -0.09 0.00 0.08 0.00 0.00 29.97 31.25 2dm4 h ARG 41 CO 1.00 1.13 0.74 -1.83 -1.07 0.00 0.00 179.97 179.94 2dm4 s GLU 42 N -2.58 0.69 -0.12 0.04 -1.05 -1.26 -5.03 118.70 109.40 2dm4 s GLU 42 Ca -0.17 -0.41 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 2dm4 s GLU 42 Cb 0.07 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.99 2dm4 s GLU 42 CO 0.81 -0.32 -0.13 0.71 0.95 0.00 0.00 175.26 177.27 2dm4 s TYR 43 N -2.48 1.93 0.35 4.83 2.02 -1.04 -0.66 117.35 122.29 2dm4 s TYR 43 Ca 0.18 -0.97 -0.07 0.00 -0.37 0.00 0.00 57.07 55.84 2dm4 s TYR 43 Cb 0.02 -1.43 -0.06 0.00 -0.40 0.00 0.00 41.96 40.09 2dm4 s TYR 43 CO -0.01 -0.53 0.66 -1.50 -1.57 0.00 0.00 175.55 172.60 2dm4 s ILE 44 N 1.24 4.91 -0.14 2.71 2.07 -0.31 0.08 121.20 131.78 2dm4 s ILE 44 Ca -0.02 0.30 -0.02 0.00 -1.41 0.00 0.00 60.65 59.50 2dm4 s ILE 44 Cb -0.14 -3.74 0.05 0.00 0.13 0.00 0.00 42.46 38.76 2dm4 s ILE 44 CO -0.05 -0.43 0.03 0.68 -1.91 0.00 0.00 174.94 173.25 2dm4 s VAL 45 N -2.24 0.39 -0.00 4.00 -7.23 -0.09 -1.17 120.40 114.06 2dm4 s VAL 45 Ca 0.47 -0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 60.43 2dm4 s VAL 45 Cb -0.10 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.04 2dm4 s VAL 45 CO 0.31 -0.00 0.10 -1.61 -0.31 0.00 0.00 175.10 173.59 2dm4 s GLU 46 N 1.94 3.12 -0.00 4.82 0.41 0.79 -2.48 118.70 127.31 2dm4 s GLU 46 Ca 0.02 -0.46 -0.19 0.00 -0.41 0.00 0.00 54.97 53.93 2dm4 s GLU 46 Cb -0.15 -2.90 0.04 0.00 -1.78 0.00 0.00 34.13 29.34 2dm4 s GLU 46 CO -0.07 0.65 0.42 1.52 -0.49 0.00 0.00 175.26 177.30 2dm4 s TYR 47 N -1.22 -0.31 -0.27 1.61 1.13 -0.74 -0.09 117.35 117.46 2dm4 s TYR 47 Ca 0.24 0.43 -0.14 0.00 -1.41 0.00 0.00 57.07 56.19 2dm4 s TYR 47 Cb -0.12 0.21 0.09 0.00 -1.10 0.00 0.00 41.96 41.03 2dm4 s TYR 47 CO 0.15 -0.50 0.65 0.45 -2.51 0.00 0.00 175.55 173.78 2dm4 s SER 48 N -1.54 -0.92 0.16 -0.18 0.15 -0.72 -1.38 113.70 109.26 2dm4 s SER 48 Ca -0.10 1.45 -0.34 0.00 0.70 0.00 0.00 55.95 57.66 2dm4 s SER 48 Cb -0.03 1.49 -0.14 0.00 -1.71 0.00 0.00 66.02 65.63 2dm4 s SER 48 CO 0.03 -0.23 1.48 -1.14 1.20 0.00 0.00 173.24 174.58 2dm4 n ARG 49 N 4.55 1.88 -1.46 5.44 0.63 -1.26 -2.84 116.66 123.60 2dm4 n ARG 49 Ca -0.19 0.68 -0.30 0.00 -0.92 0.00 0.00 57.85 57.12 2dm4 n ARG 49 Cb 0.57 -2.39 -0.19 0.00 0.45 0.00 0.00 32.46 30.90 2dm4 n ARG 49 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2dm4 n SER 50 N 2.97 -0.62 0.00 6.15 2.88 -0.41 -2.87 113.62 121.72 2dm4 n SER 50 Ca 0.16 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2dm4 n SER 50 Cb 0.27 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 5.83 0.65 3.63 0.46 0.00 -1.26 -5.02 105.19 109.48 2dm4 n GLY 51 Ca 0.65 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 52 N -0.78 -0.60 0.00 1.61 0.01 -1.14 -5.05 113.70 107.76 2dm4 s SER 52 Ca 0.00 1.17 0.08 0.00 1.31 0.00 0.00 55.95 58.51 2dm4 s SER 52 Cb 0.00 1.18 -0.23 0.00 0.21 0.00 0.00 66.02 67.18 2dm4 s SER 52 CO 0.00 -0.20 0.85 0.11 0.41 0.00 0.00 173.24 174.41 2dm4 h LYS 53 N 4.62 0.05 -5.78 12.44 1.57 -2.00 -3.45 116.57 124.01 2dm4 h LYS 53 Ca -0.29 -0.08 -0.59 0.00 -1.87 0.00 0.00 60.65 57.83 2dm4 h LYS 53 Cb 1.17 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 2dm4 h LYS 53 CO 0.08 0.75 0.26 1.41 -0.57 0.00 0.00 179.45 181.38 2dm4 s MET 54 N -2.63 4.24 0.12 3.15 1.75 -1.26 -5.06 119.30 119.61 2dm4 s MET 54 Ca -0.05 0.80 0.07 0.00 -1.25 0.00 0.00 55.69 55.27 2dm4 s MET 54 Cb 0.08 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 34.13 2dm4 s MET 54 CO 0.82 -0.30 -0.09 -1.58 -0.65 0.00 0.00 175.02 173.22 2dm4 s TRP 55 N 2.09 2.73 -0.22 4.11 0.52 -1.26 -4.83 118.94 122.08 2dm4 s TRP 55 Ca 0.33 -0.16 -0.08 0.00 0.02 0.00 0.00 56.10 56.21 2dm4 s TRP 55 Cb -0.16 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.71 2dm4 s TRP 55 CO 0.11 0.44 0.08 0.00 0.02 0.00 0.00 176.95 177.60 2dm4 s ALA 56 N -1.31 3.32 0.03 0.98 0.00 -0.48 -4.92 121.76 119.38 2dm4 s ALA 56 Ca 0.22 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2dm4 s ALA 56 Cb -0.11 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.94 2dm4 s ALA 56 CO 0.14 -0.17 -0.20 -1.54 0.00 0.00 0.00 175.76 174.00 2dm4 s SER 57 N 1.02 3.64 -0.01 0.00 1.04 -1.26 -1.80 113.70 116.33 2dm4 s SER 57 Ca 0.04 -0.45 -0.15 0.00 0.48 0.00 0.00 55.95 55.88 2dm4 s SER 57 Cb -0.14 -0.54 0.02 0.00 0.10 0.00 0.00 66.02 65.46 2dm4 s SER 57 CO 0.03 0.27 0.31 0.00 0.98 0.00 0.00 173.24 174.83 2dm4 s GLN 58 N -1.30 0.68 0.32 4.02 -2.07 -1.03 -4.95 119.66 115.32 2dm4 s GLN 58 Ca 0.13 -0.21 -0.20 0.00 -1.82 0.00 0.00 55.36 53.26 2dm4 s GLN 58 Cb -0.10 0.30 -0.09 0.00 -1.09 0.00 0.00 33.01 32.02 2dm4 s GLN 58 CO 0.04 -0.19 0.83 1.03 -1.32 0.00 0.00 175.29 175.68 2dm4 s ARG 59 N -1.42 4.27 -0.06 9.60 3.00 -1.26 -0.91 118.95 132.17 2dm4 s ARG 59 Ca -0.13 0.99 0.02 0.00 0.00 0.00 0.00 55.73 56.61 2dm4 s ARG 59 Cb -0.05 -2.61 0.02 0.00 0.00 0.00 0.00 34.95 32.31 2dm4 s ARG 59 CO 0.04 0.22 -0.10 0.00 0.00 0.00 0.00 175.30 175.46 2dm4 s ALA 60 N -1.79 1.13 -0.04 2.13 0.00 0.11 -4.94 121.76 118.37 2dm4 s ALA 60 Ca 0.51 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.90 2dm4 s ALA 60 Cb -0.14 -0.56 -0.17 0.00 0.00 0.00 0.00 23.12 22.25 2dm4 s ALA 60 CO 0.19 0.04 1.00 0.00 0.00 0.00 0.00 175.76 177.00 2dm4 h ALA 61 N 7.12 -0.19 -4.99 0.00 0.00 -1.84 -2.75 119.26 116.60 2dm4 h ALA 61 Ca -0.32 -0.23 -0.39 0.00 0.00 0.00 0.00 54.91 53.96 2dm4 h ALA 61 Cb 1.17 0.08 0.09 0.00 0.00 0.00 0.00 17.79 19.13 2dm4 h ALA 61 CO 0.47 -0.32 0.15 0.45 0.00 0.00 0.00 179.25 180.00 2dm4 n SER 62 N -4.93 0.96 -1.92 0.00 2.88 -1.26 -4.81 113.62 104.54 2dm4 n SER 62 Ca -0.08 -1.87 -0.11 0.00 -1.33 0.00 0.00 58.87 55.48 2dm4 n SER 62 Cb 0.27 -0.62 -0.09 0.00 -0.75 0.00 0.00 64.21 63.02 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dm4 n ASN 63 N -3.08 5.52 -3.44 -3.46 4.13 -1.26 -4.81 115.26 108.86 2dm4 n ASN 63 Ca 0.14 -2.60 -0.02 0.00 1.68 0.00 0.00 54.58 53.79 2dm4 n ASN 63 Cb 0.51 -1.29 0.02 0.00 -1.54 0.00 0.00 39.78 37.48 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 0.16 0.07 0.10 3.10 -0.71 -1.26 -1.90 117.98 117.54 2dm4 s PHE 64 Ca 0.45 -0.42 -0.26 0.00 -1.04 0.00 0.00 56.93 55.66 2dm4 s PHE 64 Cb 0.23 0.67 0.09 0.00 -1.21 0.00 0.00 43.02 42.80 2dm4 s PHE 64 CO -0.03 -0.79 1.10 -0.08 -1.34 0.00 0.00 175.22 174.08 2dm4 s THR 65 N -2.07 0.00 -0.32 -4.49 -1.32 0.21 -4.69 115.64 102.96 2dm4 s THR 65 Ca 0.24 -0.48 -0.00 0.00 -1.21 0.00 0.00 61.69 60.24 2dm4 s THR 65 Cb -0.02 -2.30 0.10 0.00 -1.51 0.00 0.00 72.50 68.77 2dm4 s THR 65 CO 0.04 0.00 0.10 -1.61 -2.21 0.00 0.00 174.62 170.95 2dm4 s GLU 66 N -2.66 0.79 -0.68 7.08 2.02 -1.26 0.56 118.70 124.54 2dm4 s GLU 66 Ca 0.17 -1.18 -0.27 0.00 0.02 0.00 0.00 54.97 53.71 2dm4 s GLU 66 Cb 0.00 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.19 2dm4 s GLU 66 CO 0.01 -1.00 1.23 0.42 0.02 0.00 0.00 175.26 175.94 2dm4 s ILE 67 N 1.50 3.86 0.60 -1.63 1.01 0.27 -4.84 121.20 121.97 2dm4 s ILE 67 Ca 0.10 0.52 0.06 0.00 0.00 0.00 0.00 60.65 61.33 2dm4 s ILE 67 Cb -0.18 -4.84 0.11 0.00 0.01 0.00 0.00 42.46 37.56 2dm4 s ILE 67 CO -0.23 -1.66 0.83 0.29 0.00 0.00 0.00 174.94 174.17 2dm4 n LYS 68 N 8.96 0.37 -2.87 2.79 5.02 -1.26 -0.27 118.16 130.90 2dm4 n LYS 68 Ca 0.04 -2.83 -0.10 0.00 -2.02 0.00 0.00 58.31 53.40 2dm4 n LYS 68 Cb 0.49 -0.37 0.04 0.00 -0.02 0.00 0.00 35.03 35.17 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.56 -2.96 -4.57 4.39 3.02 -1.12 -4.94 115.26 106.52 2dm4 n ASN 69 Ca 0.16 -0.30 -0.25 0.00 -0.03 0.00 0.00 54.58 54.16 2dm4 n ASN 69 Cb 0.57 -2.84 -0.10 0.00 -0.61 0.00 0.00 39.78 36.80 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 -4.22 2.82 -0.23 3.41 1.43 -0.11 -5.06 118.68 116.71 2dm4 s LEU 70 Ca 0.13 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.03 2dm4 s LEU 70 Cb -0.06 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.96 2dm4 s LEU 70 CO 0.37 -0.18 0.15 -0.76 0.23 0.00 0.00 176.35 176.16 2dm4 s LEU 71 N -3.64 4.12 0.84 1.79 1.43 -1.26 -4.35 118.68 117.61 2dm4 s LEU 71 Ca 0.33 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.42 2dm4 s LEU 71 Cb 0.00 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.15 2dm4 s LEU 71 CO 0.17 0.09 0.69 1.33 0.23 0.00 0.00 176.35 178.86 2dm4 n VAL 72 N 4.14 1.14 -4.11 -1.59 0.24 -1.26 -2.73 118.33 114.16 2dm4 n VAL 72 Ca -0.15 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.34 61.58 2dm4 n VAL 72 Cb 0.52 -0.83 -0.03 0.00 -1.47 0.00 0.00 33.84 32.03 2dm4 n VAL 72 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dm4 n ASN 73 N -1.61 -1.82 -3.83 -1.34 0.23 0.16 -4.91 115.26 102.14 2dm4 n ASN 73 Ca 0.10 -1.02 -0.17 0.00 -0.53 0.00 0.00 54.58 52.96 2dm4 n ASN 73 Cb 0.51 -2.84 -0.16 0.00 -2.08 0.00 0.00 39.78 35.21 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 -3.64 0.20 -0.11 5.53 2.01 -1.11 -4.87 115.64 113.65 2dm4 s THR 74 Ca 0.38 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 2dm4 s THR 74 Cb -0.21 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 2dm4 s THR 74 CO 0.91 0.14 1.52 -0.22 -0.69 0.00 0.00 174.62 176.28 2dm4 s LEU 75 N 0.92 4.22 -0.09 4.42 1.98 -1.26 -2.71 118.68 126.15 2dm4 s LEU 75 Ca -0.09 1.97 0.03 0.00 -2.89 0.00 0.00 54.13 53.15 2dm4 s LEU 75 Cb -0.13 -3.53 0.01 0.00 0.66 0.00 0.00 46.19 43.19 2dm4 s LEU 75 CO -0.01 -0.92 -0.19 -0.31 -1.89 0.00 0.00 176.35 173.03 2dm4 s TYR 76 N 4.02 2.13 0.07 5.38 2.02 -0.84 -1.29 117.35 128.84 2dm4 s TYR 76 Ca 0.67 -0.86 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 2dm4 s TYR 76 Cb -0.28 -1.46 -0.06 0.00 -0.40 0.00 0.00 41.96 39.76 2dm4 s TYR 76 CO 0.25 -0.37 0.37 0.99 -1.57 0.00 0.00 175.55 175.21 2dm4 s THR 77 N 0.49 5.15 0.05 -0.71 2.01 -1.13 -2.78 115.64 118.71 2dm4 s THR 77 Ca -0.17 0.35 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2dm4 s THR 77 Cb -0.17 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2dm4 s THR 77 CO 0.06 0.29 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 2dm4 s VAL 78 N -1.39 0.21 -0.28 3.82 1.01 -0.28 -1.76 120.40 121.72 2dm4 s VAL 78 Ca 0.32 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 2dm4 s VAL 78 Cb -0.14 -1.44 0.08 0.00 0.00 0.00 0.00 36.38 34.89 2dm4 s VAL 78 CO 0.18 -0.96 0.72 0.00 0.00 0.00 0.00 175.10 175.04 2dm4 s ARG 79 N -3.76 0.72 0.13 2.72 1.70 0.87 -0.37 118.95 120.95 2dm4 s ARG 79 Ca 0.05 1.13 0.04 0.00 -0.47 0.00 0.00 55.73 56.49 2dm4 s ARG 79 Cb 0.07 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.61 2dm4 s ARG 79 CO -0.09 -0.13 0.10 0.08 -1.08 0.00 0.00 175.30 174.17 2dm4 s VAL 80 N 1.31 4.44 -0.10 4.99 1.01 -1.26 -0.15 120.40 130.64 2dm4 s VAL 80 Ca -0.07 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.88 2dm4 s VAL 80 Cb -0.05 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.17 2dm4 s VAL 80 CO -0.15 -0.01 0.24 0.00 0.00 0.00 0.00 175.10 175.18 2dm4 s ALA 81 N -1.58 -0.54 -0.04 5.51 0.00 -0.32 -0.20 121.76 124.59 2dm4 s ALA 81 Ca 0.30 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 2dm4 s ALA 81 Cb -0.11 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.40 2dm4 s ALA 81 CO 0.22 -0.18 1.01 0.00 0.00 0.00 0.00 175.76 176.81 2dm4 s ALA 82 N 1.07 3.27 0.01 0.00 0.00 -1.26 -1.16 121.76 123.70 2dm4 s ALA 82 Ca -0.08 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.26 2dm4 s ALA 82 Cb -0.09 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2dm4 s ALA 82 CO -0.07 -0.39 0.36 0.08 0.00 0.00 0.00 175.76 175.74 2dm4 s VAL 83 N 1.42 5.12 0.31 0.00 1.01 0.16 -2.46 120.40 125.96 2dm4 s VAL 83 Ca 0.51 0.60 0.05 0.00 0.00 0.00 0.00 61.98 63.14 2dm4 s VAL 83 Cb -0.21 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.47 2dm4 s VAL 83 CO 0.24 0.48 0.02 0.42 0.00 0.00 0.00 175.10 176.26 2dm4 s THR 84 N -1.19 1.34 0.24 3.92 -4.23 -0.23 -2.47 115.64 113.02 2dm4 s THR 84 Ca 0.26 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 2dm4 s THR 84 Cb -0.15 -2.67 0.29 0.00 1.34 0.00 0.00 72.50 71.31 2dm4 s THR 84 CO 0.14 -0.11 1.14 -0.24 -0.54 0.00 0.00 174.62 175.00 2dm4 n SER 85 N -0.65 0.02 0.20 3.99 2.88 -1.25 -0.29 113.62 118.52 2dm4 n SER 85 Ca -0.04 1.22 -0.09 0.00 -1.33 0.00 0.00 58.87 58.64 2dm4 n SER 85 Cb 0.65 -0.49 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 2dm4 n SER 85 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2dm4 h ARG 86 N 0.00 -0.54 0.00 -1.46 2.43 -1.95 -3.50 114.38 109.36 2dm4 h ARG 86 Ca 0.49 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 2dm4 h ARG 86 Cb 1.12 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2dm4 h ARG 86 CO -0.64 -0.36 0.00 0.41 -1.51 0.00 0.00 179.97 177.86 2dm4 n GLY 87 N 0.13 -0.54 3.76 2.80 0.00 0.60 -5.14 105.19 106.80 2dm4 n GLY 87 Ca -0.07 -0.75 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.01 2.83 0.00 -0.61 1.01 -1.26 -1.07 121.20 119.09 2dm4 s ILE 88 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2dm4 s ILE 88 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.98 2dm4 s ILE 88 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 2dm4 n GLY 89 N 1.33 1.16 3.84 6.18 0.00 -1.03 -4.94 105.19 111.74 2dm4 n GLY 89 Ca 0.02 -0.83 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.00 6.18 -0.11 1.61 0.01 -1.26 -4.93 114.94 115.43 2dm4 s ASN 90 Ca 0.00 1.57 -0.12 0.00 -0.71 0.00 0.00 52.86 53.60 2dm4 s ASN 90 Cb 0.00 -2.50 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 2dm4 s ASN 90 CO 0.00 -0.90 0.26 0.26 -1.51 0.00 0.00 177.10 175.21 2dm4 s TRP 91 N -2.84 3.56 0.31 2.20 0.52 -1.26 -4.31 118.94 117.13 2dm4 s TRP 91 Ca 0.58 0.65 -0.29 0.00 0.02 0.00 0.00 56.10 57.06 2dm4 s TRP 91 Cb -0.12 -2.19 -0.10 0.00 -1.15 0.00 0.00 33.47 29.91 2dm4 s TRP 91 CO 0.43 0.49 1.27 -1.54 0.02 0.00 0.00 176.95 177.62 2dm4 s SER 92 N -0.37 6.87 -0.83 2.95 1.04 0.72 -4.77 113.70 119.31 2dm4 s SER 92 Ca 0.17 2.59 -0.22 0.00 0.48 0.00 0.00 55.95 58.98 2dm4 s SER 92 Cb -0.13 -2.64 -0.21 0.00 0.10 0.00 0.00 66.02 63.14 2dm4 s SER 92 CO 0.06 -0.46 2.14 0.47 0.98 0.00 0.00 173.24 176.43 2dm4 n ASP 93 N 0.97 -0.11 -3.85 7.02 9.92 -1.26 -4.42 116.55 124.82 2dm4 n ASP 93 Ca 0.00 0.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.89 2dm4 n ASP 93 Cb 0.42 -0.69 -0.01 0.00 -0.64 0.00 0.00 41.12 40.21 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 7.77 -2.35 -4.43 -2.24 3.41 -1.26 -4.93 113.62 109.59 2dm4 n SER 94 Ca 0.55 0.77 -0.23 0.00 -0.26 0.00 0.00 58.87 59.70 2dm4 n SER 94 Cb 0.05 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.09 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 -0.89 1.55 0.03 4.33 -0.14 0.49 -4.94 119.74 120.17 2dm4 s LYS 95 Ca 0.54 -1.66 0.05 0.00 -1.36 0.00 0.00 55.97 53.54 2dm4 s LYS 95 Cb -0.61 -1.62 -0.02 0.00 -1.68 0.00 0.00 37.83 33.90 2dm4 s LYS 95 CO 0.55 0.31 -0.15 -1.54 -0.76 0.00 0.00 175.35 173.76 2dm4 s SER 96 N -3.23 1.79 -0.22 2.83 1.04 -1.26 -1.13 113.70 113.52 2dm4 s SER 96 Ca 0.25 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.08 2dm4 s SER 96 Cb -0.05 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.00 2dm4 s SER 96 CO 0.12 0.08 0.56 -0.51 0.98 0.00 0.00 173.24 174.47 2dm4 s ILE 97 N -0.75 -0.00 -0.52 -1.02 2.07 -1.12 -4.95 121.20 114.90 2dm4 s ILE 97 Ca 0.03 0.01 -0.20 0.00 -1.41 0.00 0.00 60.65 59.09 2dm4 s ILE 97 Cb -0.08 -0.80 0.06 0.00 0.13 0.00 0.00 42.46 41.78 2dm4 s ILE 97 CO 0.01 0.01 0.67 -0.89 -1.91 0.00 0.00 174.94 172.82 2dm4 s THR 98 N 0.69 4.82 0.66 4.00 2.01 -1.26 -1.99 115.64 124.57 2dm4 s THR 98 Ca -0.03 -0.49 -0.17 0.00 0.31 0.00 0.00 61.69 61.31 2dm4 s THR 98 Cb -0.05 -4.35 -0.06 0.00 0.01 0.00 0.00 72.50 68.06 2dm4 s THR 98 CO -0.05 -0.88 0.53 0.35 -0.69 0.00 0.00 174.62 173.89 2dm4 n THR 99 N 5.66 2.05 -4.27 -0.82 -2.24 -1.10 -4.78 114.28 108.77 2dm4 n THR 99 Ca -0.06 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 60.96 2dm4 n THR 99 Cb 0.45 -0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.82 3.85 -0.87 2.28 -4.36 -1.26 -0.67 121.20 118.36 2dm4 s ILE 100 Ca 0.67 -0.89 -0.05 0.00 -0.26 0.00 0.00 60.65 60.12 2dm4 s ILE 100 Cb -0.39 -2.76 0.22 0.00 1.25 0.00 0.00 42.46 40.78 2dm4 s ILE 100 CO 0.56 0.25 0.77 -0.75 0.24 0.00 0.00 174.94 176.01 2dm4 s LYS 101 N -1.88 3.36 0.00 0.37 2.36 -1.26 -4.51 119.74 118.18 2dm4 s LYS 101 Ca 0.21 -2.98 0.00 0.00 -2.55 0.00 0.00 55.97 50.65 2dm4 s LYS 101 Cb -0.11 -4.10 0.00 0.00 -1.05 0.00 0.00 37.83 32.56 2dm4 s LYS 101 CO 0.13 -1.24 0.00 0.41 1.55 0.00 0.00 175.35 176.19 2dm4 n GLY 102 N 2.90 3.26 3.65 5.54 0.00 -1.26 -5.06 105.19 114.22 2dm4 n GLY 102 Ca 0.18 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 103 N 0.00 3.52 -0.10 1.61 1.04 -1.26 -5.07 113.70 113.44 2dm4 s SER 103 Ca 0.00 -1.64 -0.33 0.00 0.48 0.00 0.00 55.95 54.46 2dm4 s SER 103 Cb 0.00 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.72 2dm4 s SER 103 CO 0.00 -0.86 1.39 -0.83 0.98 0.00 0.00 173.24 173.93 2dm4 s GLY 104 N -3.75 -0.45 -0.68 7.32 0.00 -1.26 -5.03 107.32 103.47 2dm4 s GLY 104 Ca 0.15 1.03 -0.26 0.00 0.00 0.00 0.00 44.72 45.64 2dm4 s GLY 104 CO 0.09 0.22 1.88 2.56 0.00 0.00 0.00 173.10 177.86 2dm4 s PRO 105 N -2.13 2.61 -1.31 2.90 0.04 -1.26 -3.47 135.00 132.38 2dm4 s PRO 105 Ca 0.14 0.39 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 2dm4 s PRO 105 Cb 0.06 -4.55 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2dm4 s PRO 105 CO -0.06 -2.89 0.88 0.45 0.04 0.00 0.00 177.00 175.42 2dm4 n SER 106 N 13.06 -2.51 -0.69 6.66 2.88 -1.26 -4.85 113.62 126.91 2dm4 n SER 106 Ca 0.25 -0.73 0.02 0.00 -1.33 0.00 0.00 58.87 57.08 2dm4 n SER 106 Cb 0.51 -4.45 0.09 0.00 -0.75 0.00 0.00 64.21 59.61 2dm4 n SER 106 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dm4 n SER 107 N -3.04 1.78 0.00 -3.46 3.41 -1.23 -5.26 113.62 105.82 2dm4 n SER 107 Ca -0.21 -2.16 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 2dm4 n SER 107 Cb 0.64 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2dm4 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49