#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml n SER 2 N 0.00 6.70 -0.06 1.61 3.41 -1.26 -4.66 113.62 119.37 2dml n SER 2 Ca 0.00 -3.03 0.25 0.00 -0.26 0.00 0.00 58.87 55.83 2dml n SER 2 Cb 0.00 -1.31 0.70 0.00 -0.26 0.00 0.00 64.21 63.34 2dml n SER 2 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2dml h SER 3 N 3.44 0.00 0.00 4.04 4.64 -2.14 -3.47 113.55 120.06 2dml h SER 3 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2dml h SER 3 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2dml h SER 3 CO 0.93 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 2dml n GLY 4 N -1.60 0.17 3.14 -0.77 0.00 -1.26 -5.05 105.19 99.81 2dml n GLY 4 Ca 0.14 -1.49 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 2dml n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dml s SER 5 N -4.00 1.70 -0.13 1.61 0.15 -1.26 -5.14 113.70 106.63 2dml s SER 5 Ca 0.00 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.27 2dml s SER 5 Cb 0.00 -0.14 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 2dml s SER 5 CO 0.00 0.09 -0.18 -0.44 1.20 0.00 0.00 173.24 173.91 2dml s SER 6 N -0.87 2.74 0.00 5.45 0.01 -1.26 -4.78 113.70 114.98 2dml s SER 6 Ca 0.03 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.78 2dml s SER 6 Cb -0.07 -1.25 0.00 0.00 0.21 0.00 0.00 66.02 64.91 2dml s SER 6 CO 0.01 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2dml n GLY 7 N 4.24 0.65 3.10 3.44 0.00 -1.26 -5.13 105.19 110.23 2dml n GLY 7 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2dml n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 8 N -1.26 1.08 0.28 4.61 0.00 -1.26 -5.16 121.76 120.06 2dml s ALA 8 Ca 0.00 -0.64 0.09 0.00 0.00 0.00 0.00 51.96 51.40 2dml s ALA 8 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.83 2dml s ALA 8 CO 0.00 0.24 -0.12 0.14 0.00 0.00 0.00 175.76 176.02 2dml s VAL 9 N -0.50 2.00 -0.20 0.00 -7.23 -1.26 -4.96 120.40 108.24 2dml s VAL 9 Ca 0.03 -2.23 -0.22 0.00 -1.81 0.00 0.00 61.98 57.76 2dml s VAL 9 Cb -0.06 -2.39 -0.19 0.00 0.56 0.00 0.00 36.38 34.30 2dml s VAL 9 CO 0.00 -0.36 0.26 0.77 -0.31 0.00 0.00 175.10 175.46 2dml h SER 10 N 2.27 0.00 0.00 4.85 4.64 -2.01 -3.51 113.55 119.78 2dml h SER 10 Ca -0.40 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 60.38 2dml h SER 10 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2dml h SER 10 CO 0.65 1.43 0.00 0.61 -0.87 0.00 0.00 176.83 178.66 2dml n GLY 11 N 1.45 -1.44 0.11 -0.77 0.00 -1.26 -4.98 105.19 98.30 2dml n GLY 11 Ca -0.30 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 2dml n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dml h LEU 12 N 0.00 0.27-10.74 0.99 3.38 -1.98 -3.45 115.31 103.78 2dml h LEU 12 Ca 0.00 -0.55 -0.45 0.00 0.09 0.00 0.00 57.88 56.97 2dml h LEU 12 Cb 0.00 -0.08 0.13 0.00 0.09 0.00 0.00 40.66 40.80 2dml h LEU 12 CO 0.00 0.77 0.33 -0.31 0.09 0.00 0.00 178.44 179.32 2dml s TYR 13 N -4.03 1.97 -0.26 1.13 1.51 -1.26 -5.11 117.35 111.30 2dml s TYR 13 Ca -0.15 0.28 -0.20 0.00 -1.01 0.00 0.00 57.07 55.99 2dml s TYR 13 Cb 0.03 -3.69 0.07 0.00 -0.11 0.00 0.00 41.96 38.27 2dml s TYR 13 CO 0.74 -2.17 0.68 -1.12 -1.11 0.00 0.00 175.55 172.56 2dml s SER 14 N -4.76 -0.80 0.36 2.29 0.01 -1.26 -4.40 113.70 105.13 2dml s SER 14 Ca 0.69 1.42 0.28 0.00 1.31 0.00 0.00 55.95 59.65 2dml s SER 14 Cb -0.06 1.38 1.21 0.00 0.21 0.00 0.00 66.02 68.76 2dml s SER 14 CO 0.50 -0.24 1.22 -1.20 0.41 0.00 0.00 173.24 173.93 2dml n SER 15 N 3.41 0.13 -0.29 2.44 7.64 -1.26 0.37 113.62 126.06 2dml n SER 15 Ca -0.17 1.03 0.01 0.00 1.01 0.00 0.00 58.87 60.75 2dml n SER 15 Cb 0.57 -0.51 0.08 0.00 -1.01 0.00 0.00 64.21 63.34 2dml n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dml h SER 16 N 0.00 -0.92 -2.05 6.43 4.64 -1.95 -3.41 113.55 116.29 2dml h SER 16 Ca 0.70 0.25 -0.16 0.00 -0.47 0.00 0.00 61.79 62.11 2dml h SER 16 Cb 2.37 0.55 0.09 0.00 -0.31 0.00 0.00 62.40 65.10 2dml h SER 16 CO -0.30 -0.28 -0.01 -0.67 -0.87 0.00 0.00 176.83 174.70 2dml n ASP 17 N -5.51 -2.24 0.05 4.97 2.03 0.16 -4.93 116.55 111.08 2dml n ASP 17 Ca 0.10 -0.57 0.13 0.00 0.52 0.00 0.00 54.79 54.97 2dml n ASP 17 Cb 0.40 -0.43 0.32 0.00 -0.72 0.00 0.00 41.12 40.70 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dml n ASP 18 N -4.02 0.55 -4.71 1.67 9.92 -1.26 -4.86 116.55 113.85 2dml n ASP 18 Ca 0.06 0.20 -0.42 0.00 -0.53 0.00 0.00 54.79 54.10 2dml n ASP 18 Cb 0.25 -0.13 -0.03 0.00 -0.64 0.00 0.00 41.12 40.57 2dml n ASP 18 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dml s VAL 19 N -3.09 3.50 -0.15 2.53 1.01 -1.26 -4.82 120.40 118.13 2dml s VAL 19 Ca 0.10 1.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.85 2dml s VAL 19 Cb 0.15 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2dml s VAL 19 CO 0.66 0.05 0.83 -0.63 0.00 0.00 0.00 175.10 176.01 2dml s ILE 20 N 1.57 4.89 -0.57 2.22 1.01 -1.11 -4.58 121.20 124.63 2dml s ILE 20 Ca 0.64 1.64 -0.26 0.00 0.00 0.00 0.00 60.65 62.67 2dml s ILE 20 Cb -0.34 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2dml s ILE 20 CO 0.29 0.05 2.05 -0.70 0.00 0.00 0.00 174.94 176.63 2dml s GLU 21 N 2.00 2.45 -0.05 2.79 2.12 -1.26 -1.80 118.70 124.94 2dml s GLU 21 Ca 0.39 0.90 -0.20 0.00 0.36 0.00 0.00 54.97 56.42 2dml s GLU 21 Cb -0.17 -4.46 -0.05 0.00 0.26 0.00 0.00 34.13 29.72 2dml s GLU 21 CO 0.13 -2.92 0.55 -0.51 -0.54 0.00 0.00 175.26 171.98 2dml s LEU 22 N 10.15 4.36 0.14 2.70 1.43 -1.01 -4.94 118.68 131.51 2dml s LEU 22 Ca 0.78 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2dml s LEU 22 Cb -0.14 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.20 2dml s LEU 22 CO 0.23 0.05 -0.05 0.42 0.23 0.00 0.00 176.35 177.23 2dml s THR 23 N 0.17 0.85 -1.18 5.49 -4.23 -1.26 -4.49 115.64 110.98 2dml s THR 23 Ca 0.30 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2dml s THR 23 Cb -0.17 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.76 2dml s THR 23 CO 0.15 -0.67 0.29 -0.81 -0.54 0.00 0.00 174.62 173.03 2dml n PRO 24 N -0.18 0.49 -0.00 3.99 -0.04 -1.26 0.37 135.00 138.37 2dml n PRO 24 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 24 Cb 0.62 -1.20 -0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2dml n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 25 N 0.12 4.92 0.00 3.54 7.64 -1.26 -4.77 113.62 123.80 2dml n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dml n SER 25 Cb 0.10 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 2dml n SER 25 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dml n ASN 26 N -1.76 1.88 -0.53 6.43 6.94 -0.87 -4.74 115.26 122.62 2dml n ASN 26 Ca -0.00 -0.19 0.42 0.00 -0.02 0.00 0.00 54.58 54.79 2dml n ASN 26 Cb 0.26 0.75 0.65 0.00 -2.36 0.00 0.00 39.78 39.08 2dml n ASN 26 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2dml n PHE 27 N -0.94 0.00 0.05 -2.53 -0.00 0.16 0.24 117.46 114.44 2dml n PHE 27 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.22 2dml n PHE 27 Cb 0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 39.48 38.95 2dml n PHE 27 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2dml h ASN 28 N 0.00 0.55 0.55 -2.13 -1.24 -1.85 -1.76 115.58 109.71 2dml h ASN 28 Ca 0.74 -0.94 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2dml h ASN 28 Cb 3.18 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 42.05 2dml h ASN 28 CO -0.01 1.81 -0.02 0.54 -1.29 0.00 0.00 177.43 178.45 2dml n ARG 29 N -3.58 0.45 -0.08 6.67 5.12 0.67 0.25 116.66 126.15 2dml n ARG 29 Ca -0.27 -0.03 -0.15 0.00 -1.93 0.00 0.00 57.85 55.47 2dml n ARG 29 Cb 1.06 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.79 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dml n GLU 30 N -1.24 0.39 -0.03 5.56 -0.58 0.27 -4.59 120.64 120.43 2dml n GLU 30 Ca 0.14 0.13 -0.03 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.25 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 2dml n GLU 30 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dml n VAL 31 N -3.36 0.71 -0.31 2.62 0.31 -0.68 -4.33 118.33 113.29 2dml n VAL 31 Ca -0.32 0.29 0.27 0.00 -0.01 0.00 0.00 64.34 64.58 2dml n VAL 31 Cb 0.78 -1.77 0.60 0.00 -0.91 0.00 0.00 33.84 32.54 2dml n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dml h ILE 32 N -0.37 0.48 -0.74 2.52 1.08 -1.25 0.76 117.51 120.00 2dml h ILE 32 Ca 0.00 -0.08 -0.38 0.00 -0.39 0.00 0.00 64.86 64.01 2dml h ILE 32 Cb 0.37 0.23 -0.23 0.00 -3.07 0.00 0.00 36.82 34.13 2dml h ILE 32 CO 0.00 0.04 0.49 0.00 -0.69 0.00 0.00 178.15 177.99 2dml n GLN 33 N -4.46 1.92 -4.11 2.37 1.13 0.68 -4.85 117.38 110.06 2dml n GLN 33 Ca 0.25 -2.22 -0.33 0.00 -1.94 0.00 0.00 57.00 52.76 2dml n GLN 33 Cb 1.01 -1.87 -0.16 0.00 0.11 0.00 0.00 30.24 29.33 2dml n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2dml s SER 34 N -0.69 3.09 -0.02 1.08 0.15 0.26 -4.84 113.70 112.73 2dml s SER 34 Ca 0.42 -0.63 0.02 0.00 0.70 0.00 0.00 55.95 56.45 2dml s SER 34 Cb 0.35 -1.45 0.08 0.00 -1.71 0.00 0.00 66.02 63.30 2dml s SER 34 CO 0.08 -0.00 0.76 -0.67 1.20 0.00 0.00 173.24 174.60 2dml n ASP 35 N 4.63 1.18 0.00 5.45 2.03 -1.26 -4.80 116.55 123.78 2dml n ASP 35 Ca -0.21 -2.07 0.00 0.00 0.52 0.00 0.00 54.79 53.03 2dml n ASP 35 Cb 0.50 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2dml n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dml n GLY 36 N 0.23 5.12 3.73 0.27 0.00 -1.26 -3.65 105.19 109.62 2dml n GLY 36 Ca 0.03 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 2dml n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dml s LEU 37 N 0.00 3.82 -0.06 0.99 2.96 -1.26 -4.48 118.68 120.66 2dml s LEU 37 Ca 0.00 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2dml s LEU 37 Cb 0.00 -1.90 0.02 0.00 0.50 0.00 0.00 46.19 44.80 2dml s LEU 37 CO 0.00 0.36 -0.09 0.26 -1.32 0.00 0.00 176.35 175.56 2dml s TRP 38 N -0.77 1.18 -0.39 5.38 0.52 0.38 -1.55 118.94 123.69 2dml s TRP 38 Ca 0.12 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.81 2dml s TRP 38 Cb -0.12 -0.91 0.10 0.00 -1.15 0.00 0.00 33.47 31.40 2dml s TRP 38 CO 0.03 -0.24 0.18 -0.51 0.02 0.00 0.00 176.95 176.42 2dml s LEU 39 N 0.74 5.10 -0.21 2.99 1.43 0.75 0.41 118.68 129.88 2dml s LEU 39 Ca -0.13 -1.96 -0.08 0.00 -1.03 0.00 0.00 54.13 50.92 2dml s LEU 39 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2dml s LEU 39 CO 0.02 -0.51 0.10 -0.69 0.23 0.00 0.00 176.35 175.50 2dml s VAL 40 N 1.14 4.88 -0.18 -1.59 1.01 -0.78 -1.12 120.40 123.76 2dml s VAL 40 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2dml s VAL 40 Cb -0.22 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2dml s VAL 40 CO -0.04 0.40 -0.11 -0.70 0.00 0.00 0.00 175.10 174.65 2dml s GLU 41 N 0.84 3.30 -0.62 2.72 2.12 -1.25 -0.25 118.70 125.56 2dml s GLU 41 Ca 0.05 -0.69 -0.21 0.00 0.36 0.00 0.00 54.97 54.48 2dml s GLU 41 Cb -0.13 -2.78 0.08 0.00 0.26 0.00 0.00 34.13 31.56 2dml s GLU 41 CO 0.02 -0.05 0.85 -0.06 -0.54 0.00 0.00 175.26 175.48 2dml s PHE 42 N 1.03 2.82 0.47 5.30 0.40 0.69 -2.33 117.98 126.36 2dml s PHE 42 Ca -0.01 -0.63 0.07 0.00 -0.60 0.00 0.00 56.93 55.76 2dml s PHE 42 Cb -0.15 -4.12 0.00 0.00 0.51 0.00 0.00 43.02 39.26 2dml s PHE 42 CO -0.02 -1.46 0.37 1.52 0.70 0.00 0.00 175.22 176.33 2dml s TYR 43 N 3.50 2.19 -0.08 0.36 -0.85 -1.09 -2.23 117.35 119.14 2dml s TYR 43 Ca 0.19 -0.66 -0.01 0.00 -0.52 0.00 0.00 57.07 56.07 2dml s TYR 43 Cb -0.19 -2.03 0.03 0.00 0.38 0.00 0.00 41.96 40.15 2dml s TYR 43 CO 0.10 -0.25 -0.04 0.00 -1.52 0.00 0.00 175.55 173.84 2dml s ALA 44 N -2.63 0.94 -2.00 9.51 0.00 -1.26 -1.05 121.76 125.27 2dml s ALA 44 Ca 0.41 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 52.17 2dml s ALA 44 Cb -0.02 -0.76 0.47 0.00 0.00 0.00 0.00 23.12 22.81 2dml s ALA 44 CO 0.24 -0.37 0.92 -0.35 0.00 0.00 0.00 175.76 176.20 2dml n PRO 45 N 4.91 0.49 -0.00 0.00 -0.04 -1.26 -2.02 135.00 137.08 2dml n PRO 45 Ca -0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2dml n PRO 45 Cb 0.50 -1.25 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 2dml n PRO 45 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dml n TRP 46 N -0.75 0.00 -1.97 0.54 4.27 -1.26 -5.02 117.44 113.24 2dml n TRP 46 Ca 0.06 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.38 2dml n TRP 46 Cb 0.03 -0.07 0.15 0.00 -1.36 0.00 0.00 31.31 30.06 2dml n TRP 46 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dml n GLY 48 N -3.55 -0.47 0.55 0.00 0.00 -1.26 -3.98 105.19 96.49 2dml n GLY 48 Ca 0.13 0.00 0.37 0.00 0.00 0.00 0.00 46.02 46.52 2dml n GLY 48 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2dml h HIS 49 N 0.00 0.03 0.20 1.61 -0.00 -1.95 0.92 115.15 115.97 2dml h HIS 49 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2dml h HIS 49 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2dml h HIS 49 CO 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 177.93 177.83 2dml h GLN 51 N -0.59 0.00 0.00 0.00 4.20 -0.96 0.31 115.11 118.07 2dml h GLN 51 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2dml h GLN 51 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2dml h GLN 51 CO 0.05 0.00 -0.59 0.54 -0.67 0.00 0.00 178.83 178.16 2dml n ARG 52 N -2.84 0.10 -0.12 1.46 5.12 -0.95 -3.67 116.66 115.77 2dml n ARG 52 Ca -0.02 0.02 0.11 0.00 -1.93 0.00 0.00 57.85 56.03 2dml n ARG 52 Cb 0.11 -1.56 0.31 0.00 -1.16 0.00 0.00 32.46 30.16 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2dml n LEU 53 N -1.70 2.34 0.07 0.55 7.94 0.11 -4.28 117.00 122.02 2dml n LEU 53 Ca 0.05 -0.99 -0.13 0.00 -1.11 0.00 0.00 56.01 53.83 2dml n LEU 53 Cb 0.37 -0.16 -0.09 0.00 0.53 0.00 0.00 43.42 44.08 2dml n LEU 53 CO 0.36 0.49 0.65 0.74 -1.11 0.00 0.00 177.39 178.52 2dml h THR 54 N 3.08 1.03 0.00 1.96 2.02 -1.62 -0.37 112.91 119.01 2dml h THR 54 Ca 0.00 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.40 2dml h THR 54 Cb 0.68 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.53 2dml h THR 54 CO 0.00 0.16 -0.43 1.55 0.37 0.00 0.00 175.52 177.18 2dml h PRO 55 N -0.50 0.00 0.03 6.66 0.13 -1.84 -0.86 132.00 135.62 2dml h PRO 55 Ca -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 2dml h PRO 55 Cb 0.40 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.55 2dml h PRO 55 CO 0.03 0.43 -1.09 0.93 -0.23 0.00 0.00 178.00 178.07 2dml h GLU 56 N 0.00 0.66 -0.07 0.86 5.08 -1.75 -2.95 114.58 116.41 2dml h GLU 56 Ca -0.00 -0.75 -0.17 0.00 -1.00 0.00 0.00 59.36 57.44 2dml h GLU 56 Cb 0.82 0.22 0.01 0.00 0.50 0.00 0.00 28.75 30.30 2dml h GLU 56 CO 0.06 1.32 -0.62 2.35 -1.00 0.00 0.00 179.01 181.12 2dml h TRP 57 N 0.35 0.75 -0.08 4.33 -0.00 -0.99 -1.23 115.95 119.08 2dml h TRP 57 Ca -0.14 -0.36 0.03 0.00 -0.00 0.00 0.00 58.89 58.42 2dml h TRP 57 Cb 1.75 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 30.76 2dml h TRP 57 CO 0.10 1.16 -0.13 0.87 -0.00 0.00 0.00 178.44 180.44 2dml h LYS 58 N 0.12 -0.18 -0.52 2.65 1.57 -1.25 -1.93 116.57 117.03 2dml h LYS 58 Ca -0.06 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2dml h LYS 58 Cb 1.28 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.53 2dml h LYS 58 CO 0.12 -0.12 -0.23 0.87 -0.57 0.00 0.00 179.45 179.52 2dml h LYS 59 N -0.19 -0.11 -0.75 3.15 1.57 -1.60 0.20 116.57 118.85 2dml h LYS 59 Ca 0.07 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2dml h LYS 59 Cb 0.29 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 2dml h LYS 59 CO -0.19 -0.07 0.49 0.00 -0.57 0.00 0.00 179.45 179.11 2dml h ALA 60 N 1.22 1.68 -0.46 3.86 0.00 -1.48 -1.29 119.26 122.79 2dml h ALA 60 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2dml h ALA 60 Cb 0.49 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2dml h ALA 60 CO -0.59 0.20 -0.03 0.00 0.00 0.00 0.00 179.25 178.83 2dml h ALA 61 N 1.60 1.09 -0.59 0.00 0.00 0.12 0.85 119.26 122.32 2dml h ALA 61 Ca 0.32 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2dml h ALA 61 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2dml h ALA 61 CO -0.11 0.57 0.18 1.15 0.00 0.00 0.00 179.25 181.04 2dml h THR 62 N 0.72 1.24 -0.02 0.00 2.02 -0.00 0.87 112.91 117.74 2dml h THR 62 Ca 0.14 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 2dml h THR 62 Cb 0.48 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2dml h THR 62 CO 0.02 0.32 -0.31 0.00 0.37 0.00 0.00 175.52 175.92 2dml h ALA 63 N 1.05 0.06 -0.25 6.16 0.00 -1.28 -3.19 119.26 121.81 2dml h ALA 63 Ca 0.19 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dml h ALA 63 Cb 0.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dml h ALA 63 CO -0.00 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2dml n LEU 64 N -4.45 1.35 -0.26 0.00 4.77 0.27 -4.26 117.00 114.42 2dml n LEU 64 Ca -0.09 -0.67 0.07 0.00 -0.03 0.00 0.00 56.01 55.28 2dml n LEU 64 Cb 0.52 -0.17 0.20 0.00 -2.33 0.00 0.00 43.42 41.64 2dml n LEU 64 CO 0.41 0.33 0.95 0.50 -1.33 0.00 0.00 177.39 178.25 2dml h LYS 65 N 1.46 0.28 0.00 3.23 3.64 0.80 0.67 116.57 126.64 2dml h LYS 65 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2dml h LYS 65 Cb 0.34 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2dml h LYS 65 CO 0.00 0.18 -1.87 -0.25 -2.27 0.00 0.00 179.45 175.25 2dml n ASP 66 N -5.15 0.19 -0.02 4.20 8.00 -1.26 -4.64 116.55 117.88 2dml n ASP 66 Ca 0.15 -0.11 -0.01 0.00 0.71 0.00 0.00 54.79 55.53 2dml n ASP 66 Cb 0.48 1.87 -0.00 0.00 -0.02 0.00 0.00 41.12 43.45 2dml n ASP 66 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dml h VAL 67 N 0.00 0.00 -3.23 2.53 2.07 -1.53 -3.47 116.25 112.61 2dml h VAL 67 Ca 0.00 -0.40 -0.59 0.00 0.82 0.00 0.00 66.70 66.53 2dml h VAL 67 Cb 0.93 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 30.35 2dml h VAL 67 CO 0.00 0.00 -0.83 -0.69 0.02 0.00 0.00 177.57 176.07 2dml s VAL 68 N -1.31 1.51 -0.55 2.57 1.01 0.23 -4.73 120.40 119.13 2dml s VAL 68 Ca -0.02 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 2dml s VAL 68 Cb 0.00 -1.39 -0.08 0.00 0.00 0.00 0.00 36.38 34.91 2dml s VAL 68 CO 0.03 0.44 2.39 -0.54 0.00 0.00 0.00 175.10 177.42 2dml s LYS 69 N 1.10 2.03 -0.74 2.72 -0.14 -0.60 -4.17 119.74 119.95 2dml s LYS 69 Ca -0.04 1.21 -0.18 0.00 -1.36 0.00 0.00 55.97 55.59 2dml s LYS 69 Cb -0.14 -4.62 0.13 0.00 -1.68 0.00 0.00 37.83 31.52 2dml s LYS 69 CO -0.04 -3.46 0.86 0.08 -0.76 0.00 0.00 175.35 172.03 2dml s VAL 70 N 12.53 4.88 0.00 3.17 1.01 -1.26 -0.18 120.40 140.55 2dml s VAL 70 Ca 0.95 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2dml s VAL 70 Cb -0.16 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2dml s VAL 70 CO 0.23 -1.25 0.00 0.61 0.00 0.00 0.00 175.10 174.68 2dml n GLY 71 N 5.12 0.64 3.40 4.51 0.00 -0.28 -2.76 105.19 115.82 2dml n GLY 71 Ca 0.05 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 44.06 2dml n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 72 N -2.85 -1.40 -0.14 4.61 0.00 -0.75 -3.93 121.76 117.30 2dml s ALA 72 Ca 0.00 1.82 0.02 0.00 0.00 0.00 0.00 51.96 53.80 2dml s ALA 72 Cb 0.00 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.84 2dml s ALA 72 CO 0.00 -0.56 -0.19 0.08 0.00 0.00 0.00 175.76 175.09 2dml s VAL 73 N 2.10 1.89 -0.98 0.00 1.01 -0.98 -2.40 120.40 121.05 2dml s VAL 73 Ca -0.06 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 2dml s VAL 73 Cb -0.10 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2dml s VAL 73 CO -0.15 0.52 1.79 0.21 0.00 0.00 0.00 175.10 177.46 2dml s ASN 74 N 1.02 5.61 0.36 3.32 2.47 -1.26 -2.67 114.94 123.79 2dml s ASN 74 Ca -0.03 -1.07 0.18 0.00 0.42 0.00 0.00 52.86 52.37 2dml s ASN 74 Cb -0.15 -2.57 1.23 0.00 -1.45 0.00 0.00 41.25 38.31 2dml s ASN 74 CO -0.05 -2.34 1.62 0.00 -3.72 0.00 0.00 177.10 172.62 2dml h ALA 75 N 10.55 2.10 -0.28 1.71 0.00 -1.38 0.96 119.26 132.93 2dml h ALA 75 Ca 0.15 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 75 Cb 1.00 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2dml h ALA 75 CO 1.29 -0.79 0.16 0.22 0.00 0.00 0.00 179.25 180.12 2dml h ASP 76 N 0.17 0.34 0.02 0.00 3.58 -1.87 -0.61 116.42 118.04 2dml h ASP 76 Ca 0.79 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 58.17 2dml h ASP 76 Cb 1.98 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.95 2dml h ASP 76 CO -0.66 0.31 -0.01 0.50 -2.88 0.00 0.00 179.24 176.50 2dml h LYS 77 N 0.34 -0.02 -1.91 0.28 3.64 -0.23 -3.33 116.57 115.34 2dml h LYS 77 Ca 0.10 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 2dml h LYS 77 Cb 0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2dml h LYS 77 CO -0.02 0.03 0.08 0.72 -2.27 0.00 0.00 179.45 177.99 2dml n HIS 78 N -4.79 0.30 -0.33 1.91 8.25 0.28 -4.57 115.22 116.27 2dml n HIS 78 Ca -0.01 -1.19 0.27 0.00 -0.26 0.00 0.00 57.72 56.53 2dml n HIS 78 Cb 0.03 -0.60 0.51 0.00 1.12 0.00 0.00 29.99 31.04 2dml n HIS 78 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 2dml h GLN 79 N 1.12 0.11 -0.52 -0.41 1.08 -1.22 0.56 115.11 115.82 2dml h GLN 79 Ca 0.06 -0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.34 2dml h GLN 79 Cb 0.99 -0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 28.32 2dml h GLN 79 CO 0.15 0.07 0.12 0.77 -0.95 0.00 0.00 178.83 179.00 2dml h SER 80 N 0.11 0.04 0.07 1.46 0.02 -1.84 -1.10 113.55 112.31 2dml h SER 80 Ca 0.77 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.81 2dml h SER 80 Cb 1.91 0.11 -0.00 0.00 0.14 0.00 0.00 62.40 64.56 2dml h SER 80 CO -0.73 0.04 -0.04 -0.07 -1.14 0.00 0.00 176.83 174.89 2dml h LEU 81 N 0.26 -0.11 -0.46 5.07 3.38 -0.24 0.16 115.31 123.37 2dml h LEU 81 Ca 0.26 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2dml h LEU 81 Cb 0.35 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2dml h LEU 81 CO -0.33 -0.07 -0.41 1.23 0.09 0.00 0.00 178.44 178.95 2dml h GLY 82 N -0.11 -1.31 0.23 0.83 0.00 -1.44 -0.15 103.07 101.11 2dml h GLY 82 Ca -0.01 0.81 0.15 0.00 0.00 0.00 0.00 47.33 48.28 2dml h GLY 82 CO 0.01 -0.28 0.46 -1.33 0.00 0.00 0.00 176.54 175.40 2dml h GLY 83 N -0.18 1.42 1.31 4.60 0.00 -1.25 0.29 103.07 109.27 2dml h GLY 83 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2dml h GLY 83 CO -0.53 -0.03 0.30 -1.61 0.00 0.00 0.00 176.54 174.67 2dml h GLN 84 N 0.65 0.00 0.00 4.80 4.15 0.12 -1.26 115.11 123.57 2dml h GLN 84 Ca 0.47 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.65 2dml h GLN 84 Cb 0.67 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2dml h GLN 84 CO -0.36 0.00 -1.91 0.66 -1.93 0.00 0.00 178.83 175.29 2dml n TYR 85 N -2.46 0.00 0.00 3.99 4.02 0.84 -5.03 117.16 118.51 2dml n TYR 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 2dml n TYR 85 Cb 0.33 -0.62 0.00 0.00 -0.02 0.00 0.00 39.34 39.03 2dml n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dml n GLY 86 N 2.65 0.73 2.80 2.72 0.00 -0.09 -5.10 105.19 108.89 2dml n GLY 86 Ca -0.27 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.24 2dml n GLY 86 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dml n VAL 87 N 0.00 0.00 0.00 1.61 0.31 -0.93 -4.79 118.33 114.53 2dml n VAL 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2dml n VAL 87 Cb 0.00 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 2dml n VAL 87 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dml n GLN 88 N 2.87 2.33 -3.65 5.55 10.64 -1.26 -4.22 117.38 129.64 2dml n GLN 88 Ca 0.23 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.18 2dml n GLN 88 Cb -0.04 -0.79 -0.18 0.00 -0.86 0.00 0.00 30.24 28.38 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dml s GLY 89 N -2.02 0.26 0.38 2.61 0.00 -1.26 -5.15 107.32 102.15 2dml s GLY 89 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 2dml s GLY 89 CO 0.00 1.50 0.61 -1.36 0.00 0.00 0.00 173.10 173.85 2dml s PHE 90 N 2.16 3.51 0.47 1.90 0.08 -1.26 -4.15 117.98 120.69 2dml s PHE 90 Ca 0.04 0.46 -0.22 0.00 0.12 0.00 0.00 56.93 57.33 2dml s PHE 90 Cb -0.13 -2.01 -0.07 0.00 -0.57 0.00 0.00 43.02 40.23 2dml s PHE 90 CO -0.05 0.00 1.16 -1.25 -0.10 0.00 0.00 175.22 174.98 2dml s PRO 91 N -4.43 3.71 -0.26 0.24 0.04 -1.26 -4.90 135.00 128.14 2dml s PRO 91 Ca 0.42 1.75 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 2dml s PRO 91 Cb -0.10 -2.36 0.08 0.00 0.04 0.00 0.00 34.50 32.17 2dml s PRO 91 CO 0.38 -0.59 0.07 0.99 0.04 0.00 0.00 177.00 177.89 2dml s THR 92 N -1.57 0.71 -0.14 1.26 2.01 -0.95 -4.99 115.64 111.96 2dml s THR 92 Ca 0.65 -1.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 2dml s THR 92 Cb -0.28 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 2dml s THR 92 CO 0.34 -0.47 0.36 -0.63 -0.69 0.00 0.00 174.62 173.52 2dml s ILE 93 N 1.73 5.26 0.03 1.82 1.01 -1.26 -0.23 121.20 129.57 2dml s ILE 93 Ca 0.05 0.69 0.09 0.00 0.00 0.00 0.00 60.65 61.48 2dml s ILE 93 Cb -0.17 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 2dml s ILE 93 CO -0.19 0.37 -0.26 -0.54 0.00 0.00 0.00 174.94 174.33 2dml s LYS 94 N 0.49 1.84 -0.15 2.79 -0.14 0.66 -1.79 119.74 123.44 2dml s LYS 94 Ca 0.20 -1.06 -0.05 0.00 -1.36 0.00 0.00 55.97 53.70 2dml s LYS 94 Cb -0.14 -1.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.02 2dml s LYS 94 CO 0.06 0.51 0.02 0.42 -0.76 0.00 0.00 175.35 175.60 2dml s ILE 95 N -0.76 4.39 -0.15 2.17 1.01 -0.39 -1.86 121.20 125.61 2dml s ILE 95 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2dml s ILE 95 Cb -0.10 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.44 2dml s ILE 95 CO 0.01 0.52 -0.17 -0.36 0.00 0.00 0.00 174.94 174.94 2dml s PHE 96 N -0.01 2.75 0.00 3.97 0.40 0.17 -1.15 117.98 124.10 2dml s PHE 96 Ca 0.04 -1.07 0.00 0.00 -0.60 0.00 0.00 56.93 55.29 2dml s PHE 96 Cb -0.13 -1.86 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2dml s PHE 96 CO 0.02 -0.48 0.00 0.41 0.70 0.00 0.00 175.22 175.87 2dml n GLY 97 N 4.00 -0.85 0.27 4.36 0.00 -1.26 -0.47 105.19 111.23 2dml n GLY 97 Ca -0.19 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 98 N -3.00 -0.41 -3.98 4.61 0.00 -1.26 -3.89 120.51 112.58 2dml n ALA 98 Ca 0.00 0.54 -0.31 0.00 0.00 0.00 0.00 53.44 53.67 2dml n ALA 98 Cb 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 19.45 19.28 2dml n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dml s ASN 99 N -4.96 3.91 0.59 0.00 2.47 -1.26 -4.96 114.94 110.73 2dml s ASN 99 Ca -0.08 -1.18 0.37 0.00 0.42 0.00 0.00 52.86 52.40 2dml s ASN 99 Cb 0.07 -1.27 1.73 0.00 -1.45 0.00 0.00 41.25 40.32 2dml s ASN 99 CO 0.39 -0.21 2.12 0.11 -3.72 0.00 0.00 177.10 175.79 2dml h LYS 100 N 7.92 0.00 0.00 0.43 1.79 -1.94 -2.27 116.57 122.50 2dml h LYS 100 Ca -0.20 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.08 2dml h LYS 100 Cb 1.07 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 2dml h LYS 100 CO 0.43 0.00 -0.91 -0.91 -1.08 0.00 0.00 179.45 176.99 2dml h ASN 101 N 0.00 0.03 -3.02 0.86 2.35 -1.94 -3.41 115.58 110.45 2dml h ASN 101 Ca -0.00 -0.02 -0.57 0.00 -0.55 0.00 0.00 56.30 55.15 2dml h ASN 101 Cb 0.34 -0.01 -0.40 0.00 0.05 0.00 0.00 38.32 38.31 2dml h ASN 101 CO 0.00 0.92 -0.77 -0.54 -1.65 0.00 0.00 177.43 175.39 2dml s LYS 102 N -2.95 0.62 0.77 0.81 1.02 -0.85 -5.14 119.74 114.01 2dml s LYS 102 Ca 0.00 -1.08 -0.13 0.00 0.02 0.00 0.00 55.97 54.78 2dml s LYS 102 Cb 0.11 -1.70 0.19 0.00 -0.52 0.00 0.00 37.83 35.90 2dml s LYS 102 CO 0.81 -1.05 0.68 -0.35 -0.92 0.00 0.00 175.35 174.52 2dml n PRO 103 N 4.68 -2.37 -4.30 -1.68 -0.04 -1.24 -4.48 135.00 125.57 2dml n PRO 103 Ca 0.00 -1.09 -0.23 0.00 -0.04 0.00 0.00 63.50 62.14 2dml n PRO 103 Cb 0.40 -1.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.72 2dml n PRO 103 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2dml s GLU 104 N -4.55 1.18 0.06 0.54 1.03 -0.30 -4.94 118.70 111.72 2dml s GLU 104 Ca 0.44 -1.24 -0.31 0.00 0.03 0.00 0.00 54.97 53.90 2dml s GLU 104 Cb -0.04 -1.39 -0.06 0.00 -0.80 0.00 0.00 34.13 31.83 2dml s GLU 104 CO 0.34 0.31 1.33 0.34 -1.33 0.00 0.00 175.26 176.25 2dml s ASP 105 N -2.13 6.91 -0.77 0.83 -1.08 -1.26 -1.27 116.67 117.90 2dml s ASP 105 Ca 0.09 2.16 -0.26 0.00 -0.52 0.00 0.00 52.55 54.03 2dml s ASP 105 Cb -0.09 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.80 2dml s ASP 105 CO 0.05 -0.62 1.64 -0.47 0.52 0.00 0.00 175.17 176.29 2dml s TYR 106 N 1.48 2.01 -1.05 -5.34 6.14 -0.74 -4.87 117.35 114.99 2dml s TYR 106 Ca 0.62 0.24 -0.05 0.00 0.64 0.00 0.00 57.07 58.53 2dml s TYR 106 Cb -0.33 -4.34 0.29 0.00 0.42 0.00 0.00 41.96 38.00 2dml s TYR 106 CO 0.29 -2.08 1.28 1.04 0.64 0.00 0.00 175.55 176.72 2dml n GLN 107 N 9.14 3.96 -3.83 4.97 6.02 -1.26 -4.86 117.38 131.53 2dml n GLN 107 Ca 0.21 -4.53 -0.08 0.00 -0.01 0.00 0.00 57.00 52.59 2dml n GLN 107 Cb 0.50 -2.50 0.01 0.00 1.02 0.00 0.00 30.24 29.27 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dml s GLY 108 N -0.82 0.20 0.24 1.08 0.00 -1.26 -5.14 107.32 101.62 2dml s GLY 108 Ca 0.31 -0.58 -0.31 0.00 0.00 0.00 0.00 44.72 44.14 2dml s GLY 108 CO 0.03 -0.14 1.55 0.61 0.00 0.00 0.00 173.10 175.15 2dml n GLY 109 N -0.51 1.16 2.48 0.20 0.00 -1.26 -4.88 105.19 102.38 2dml n GLY 109 Ca -0.07 0.53 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 2dml n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dml n ARG 110 N 2.63 2.97 -4.58 1.61 1.74 -1.26 -3.46 116.66 116.31 2dml n ARG 110 Ca 0.12 -2.63 -0.22 0.00 -0.77 0.00 0.00 57.85 54.35 2dml n ARG 110 Cb 0.33 -2.27 -0.15 0.00 -1.02 0.00 0.00 32.46 29.36 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dml s THR 111 N -1.95 1.15 0.56 0.55 -4.23 -1.26 -4.85 115.64 105.61 2dml s THR 111 Ca 0.58 -0.73 0.48 0.00 -1.18 0.00 0.00 61.69 60.84 2dml s THR 111 Cb 0.33 -0.98 0.71 0.00 1.34 0.00 0.00 72.50 73.90 2dml s THR 111 CO -0.19 0.24 1.55 1.23 -0.54 0.00 0.00 174.62 176.91 2dml h GLY 112 N 5.54 0.00 0.00 3.99 0.00 -1.52 0.27 103.07 111.34 2dml h GLY 112 Ca -0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2dml h GLY 112 CO 0.47 0.00 -0.17 0.83 0.00 0.00 0.00 176.54 177.68 2dml h GLU 113 N 0.00 0.00 -0.26 4.80 5.08 -1.94 -3.24 114.58 119.01 2dml h GLU 113 Ca 0.90 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 59.31 2dml h GLU 113 Cb 3.69 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 32.89 2dml h GLU 113 CO -0.01 0.54 -0.09 0.00 -1.00 0.00 0.00 179.01 178.45 2dml h ALA 114 N -0.51 0.14 -0.61 3.43 0.00 -0.84 -2.17 119.26 118.71 2dml h ALA 114 Ca -0.03 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.10 2dml h ALA 114 Cb 0.61 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 2dml h ALA 114 CO -0.02 -0.49 0.01 0.82 0.00 0.00 0.00 179.25 179.57 2dml h ILE 115 N -0.04 0.51 -1.00 0.00 2.04 -0.91 0.99 117.51 119.10 2dml h ILE 115 Ca 0.13 -0.04 0.20 0.00 1.00 0.00 0.00 64.86 66.15 2dml h ILE 115 Cb 0.24 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 36.58 2dml h ILE 115 CO -0.29 0.02 0.61 0.58 0.00 0.00 0.00 178.15 179.07 2dml h VAL 116 N 0.13 0.69 -0.12 1.67 2.07 -1.42 0.18 116.25 119.44 2dml h VAL 116 Ca 0.32 -0.25 -0.20 0.00 0.82 0.00 0.00 66.70 67.38 2dml h VAL 116 Cb 0.51 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2dml h VAL 116 CO -0.51 0.13 -0.74 -0.78 0.02 0.00 0.00 177.57 175.70 2dml h ASP 117 N 0.74 0.70 -0.03 0.57 1.82 -0.71 -2.85 116.42 116.66 2dml h ASP 117 Ca 0.58 -0.45 -0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2dml h ASP 117 Cb 0.94 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 2dml h ASP 117 CO -0.38 1.22 0.01 0.00 -1.61 0.00 0.00 179.24 178.47 2dml h ALA 118 N 0.77 0.04 -0.45 -0.78 0.00 0.49 -0.93 119.26 118.40 2dml h ALA 118 Ca -0.04 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2dml h ALA 118 Cb 1.33 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 2dml h ALA 118 CO 0.14 -0.32 0.19 0.00 0.00 0.00 0.00 179.25 179.26 2dml h ALA 119 N 0.76 0.56 0.77 0.00 0.00 -0.83 -1.43 119.26 119.09 2dml h ALA 119 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 119 Cb 0.27 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dml h ALA 119 CO 0.00 -0.18 -0.37 -0.07 0.00 0.00 0.00 179.25 178.63 2dml h LEU 120 N 0.39 -0.88 -0.85 0.00 3.38 -1.46 0.11 115.31 116.01 2dml h LEU 120 Ca 0.20 0.01 0.22 0.00 0.09 0.00 0.00 57.88 58.40 2dml h LEU 120 Cb 0.16 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.00 2dml h LEU 120 CO -0.18 -0.56 0.17 -1.28 0.09 0.00 0.00 178.44 176.69 2dml h SER 121 N -1.16 -0.09 0.09 -0.43 0.87 -1.05 0.42 113.55 112.20 2dml h SER 121 Ca -0.11 0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 60.51 2dml h SER 121 Cb 0.81 0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2dml h SER 121 CO 0.17 -0.16 -0.50 0.00 -0.53 0.00 0.00 176.83 175.82 2dml h ALA 122 N 1.76 0.82 -0.40 6.23 0.00 -1.15 -1.85 119.26 124.67 2dml h ALA 122 Ca 0.51 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2dml h ALA 122 Cb 1.00 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2dml h ALA 122 CO -0.66 0.67 -0.10 1.25 0.00 0.00 0.00 179.25 180.41 2dml h LEU 123 N 0.36 -0.38 -0.17 0.00 7.12 0.26 0.14 115.31 122.64 2dml h LEU 123 Ca 0.02 0.12 -0.20 0.00 0.13 0.00 0.00 57.88 57.95 2dml h LEU 123 Cb 1.01 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 41.37 2dml h LEU 123 CO 0.09 -0.14 -0.93 0.08 -0.13 0.00 0.00 178.44 177.41 2dml h ARG 124 N -0.00 0.06 0.00 1.25 0.11 -1.44 -3.14 114.38 111.21 2dml h ARG 124 Ca 0.19 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 60.20 2dml h ARG 124 Cb 0.30 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2dml h ARG 124 CO -0.42 0.94 0.00 0.66 0.10 0.00 0.00 179.97 181.26 2dml h SER 125 N 0.02 0.00 -2.53 0.08 4.64 -0.43 -3.45 113.55 111.89 2dml h SER 125 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2dml h SER 125 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2dml h SER 125 CO 0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 2dml n GLY 126 N -0.26 3.76 3.63 -0.77 0.00 0.41 -5.03 105.19 106.92 2dml n GLY 126 Ca -0.00 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.49 2dml n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dml s PRO 127 N 0.12 3.78 0.37 1.61 0.04 -1.26 -4.95 135.00 134.70 2dml s PRO 127 Ca 0.00 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.44 2dml s PRO 127 Cb 0.00 -4.04 -0.13 0.00 0.04 0.00 0.00 34.50 30.37 2dml s PRO 127 CO 0.00 -1.31 0.66 -1.13 0.04 0.00 0.00 177.00 175.26 2dml n SER 128 N 8.50 -0.36 -4.67 6.66 3.41 -1.26 -4.73 113.62 121.17 2dml n SER 128 Ca 0.19 1.00 -0.53 0.00 -0.26 0.00 0.00 58.87 59.27 2dml n SER 128 Cb 0.45 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.20 2dml n SER 128 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dml n SER 129 N 1.32 2.84 -0.03 4.04 2.88 -1.26 -4.96 113.62 118.44 2dml n SER 129 Ca 0.12 0.96 0.16 0.00 -1.33 0.00 0.00 58.87 58.78 2dml n SER 129 Cb 0.36 -1.25 0.92 0.00 -0.75 0.00 0.00 64.21 63.49 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42