#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 6.51 -3.93 1.61 7.64 -1.26 -4.84 113.62 119.35 2dml n SER 2 Ca 0.00 -3.18 -0.27 0.00 1.01 0.00 0.00 58.87 56.43 2dml n SER 2 Cb 0.00 -1.17 -0.17 0.00 -1.01 0.00 0.00 64.21 61.86 2dml n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dml s SER 3 N 0.23 2.28 -0.30 6.43 1.04 -1.26 -5.08 113.70 117.05 2dml s SER 3 Ca 0.50 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.54 2dml s SER 3 Cb 0.34 -0.91 0.19 0.00 0.10 0.00 0.00 66.02 65.75 2dml s SER 3 CO -0.15 -0.11 0.90 -0.83 0.98 0.00 0.00 173.24 174.03 2dml s GLY 4 N 1.67 -1.10 -0.10 7.32 0.00 -1.26 -5.08 107.32 108.76 2dml s GLY 4 Ca 0.05 1.64 0.02 0.00 0.00 0.00 0.00 44.72 46.43 2dml s GLY 4 CO -0.09 3.98 -0.16 -0.45 0.00 0.00 0.00 173.10 176.39 2dml s SER 5 N 2.78 2.43 -0.69 1.64 0.15 -1.26 -5.09 113.70 113.65 2dml s SER 5 Ca 0.21 -0.43 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 2dml s SER 5 Cb -0.04 -1.09 0.06 0.00 -1.71 0.00 0.00 66.02 63.24 2dml s SER 5 CO -0.22 0.03 1.08 -0.44 1.20 0.00 0.00 173.24 174.88 2dml s SER 6 N 0.91 6.17 -0.21 5.45 0.01 -1.26 -4.85 113.70 119.92 2dml s SER 6 Ca -0.08 -0.81 -0.20 0.00 1.31 0.00 0.00 55.95 56.17 2dml s SER 6 Cb -0.15 -2.47 -0.18 0.00 0.21 0.00 0.00 66.02 63.43 2dml s SER 6 CO -0.00 -1.58 0.16 0.61 0.41 0.00 0.00 173.24 172.83 2dml n GLY 7 N 5.35 -0.84 3.20 3.44 0.00 -1.26 -5.03 105.19 110.05 2dml n GLY 7 Ca -0.01 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.40 1.15 0.00 4.61 0.00 -1.26 -5.08 121.76 118.78 2dml s ALA 8 Ca -0.28 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.02 2dml s ALA 8 Cb 0.06 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.38 2dml s ALA 8 CO 0.56 -0.54 0.00 0.28 0.00 0.00 0.00 175.76 176.05 2dml n VAL 9 N -0.24 0.00 -1.57 0.00 0.31 -1.26 -4.89 118.33 110.67 2dml n VAL 9 Ca -0.00 0.00 -0.55 0.00 -0.01 0.00 0.00 64.34 63.78 2dml n VAL 9 Cb 0.65 -0.72 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 2dml n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2dml n SER 10 N -2.48 1.15 -4.29 4.52 7.64 -1.26 -4.96 113.62 113.94 2dml n SER 10 Ca 0.00 1.13 -0.30 0.00 1.01 0.00 0.00 58.87 60.71 2dml n SER 10 Cb 0.23 -1.09 -0.16 0.00 -1.01 0.00 0.00 64.21 62.18 2dml n SER 10 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dml s GLY 11 N 0.56 1.21 -0.01 0.23 0.00 -1.26 -4.94 107.32 103.11 2dml s GLY 11 Ca 0.88 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 44.30 2dml s GLY 11 CO 0.52 -0.90 0.97 1.41 0.00 0.00 0.00 173.10 175.10 2dml h LEU 12 N 5.47 -0.48-10.36 0.66 3.38 -1.97 -3.45 115.31 108.56 2dml h LEU 12 Ca -0.42 -0.10 -0.49 0.00 0.09 0.00 0.00 57.88 56.96 2dml h LEU 12 Cb 1.13 0.12 0.13 0.00 0.09 0.00 0.00 40.66 42.13 2dml h LEU 12 CO 0.47 -0.06 0.29 -0.31 0.09 0.00 0.00 178.44 178.92 2dml s TYR 13 N -4.10 2.54 -0.02 1.13 1.51 -1.26 -5.07 117.35 112.09 2dml s TYR 13 Ca -0.12 1.27 0.03 0.00 -1.01 0.00 0.00 57.07 57.24 2dml s TYR 13 Cb 0.01 -3.12 -0.00 0.00 -0.11 0.00 0.00 41.96 38.74 2dml s TYR 13 CO 0.42 -2.07 -0.11 -1.12 -1.11 0.00 0.00 175.55 171.56 2dml s SER 14 N -3.58 1.31 0.43 2.29 0.01 -1.26 -5.02 113.70 107.88 2dml s SER 14 Ca 0.62 -0.20 0.20 0.00 1.31 0.00 0.00 55.95 57.88 2dml s SER 14 Cb -0.17 -0.23 1.16 0.00 0.21 0.00 0.00 66.02 66.99 2dml s SER 14 CO 0.56 0.11 1.84 -1.28 0.41 0.00 0.00 173.24 174.88 2dml h SER 15 N 6.07 0.35 -0.59 2.44 0.87 -1.98 -0.25 113.55 120.46 2dml h SER 15 Ca -0.33 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.38 2dml h SER 15 Cb 1.17 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.04 2dml h SER 15 CO 0.49 0.12 0.16 0.77 -0.53 0.00 0.00 176.83 177.84 2dml h SER 16 N 0.34 0.08 -1.81 6.23 4.64 -1.95 -3.43 113.55 117.65 2dml h SER 16 Ca 0.50 0.10 -0.17 0.00 -0.47 0.00 0.00 61.79 61.75 2dml h SER 16 Cb 1.37 0.12 0.10 0.00 -0.31 0.00 0.00 62.40 63.67 2dml h SER 16 CO -0.18 0.05 -0.08 0.47 -0.87 0.00 0.00 176.83 176.22 2dml n ASP 17 N -5.08 -2.86 0.19 4.97 8.00 -0.11 -4.90 116.55 116.76 2dml n ASP 17 Ca 0.09 -0.40 0.09 0.00 0.71 0.00 0.00 54.79 55.27 2dml n ASP 17 Cb 0.30 -0.50 0.12 0.00 -0.02 0.00 0.00 41.12 41.02 2dml n ASP 17 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dml h ASP 18 N -2.69 0.00 -3.46 -2.24 5.19 -1.83 -3.45 116.42 107.94 2dml h ASP 18 Ca -0.18 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.71 2dml h ASP 18 Cb 0.61 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.15 2dml h ASP 18 CO 0.11 0.18 0.62 -0.69 -3.12 0.00 0.00 179.24 176.33 2dml s VAL 19 N -3.12 3.29 -0.25 -1.35 1.01 -1.26 -4.78 120.40 113.93 2dml s VAL 19 Ca 0.06 1.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 2dml s VAL 19 Cb 0.06 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2dml s VAL 19 CO 0.70 0.18 0.49 -0.63 0.00 0.00 0.00 175.10 175.83 2dml s ILE 20 N -0.06 5.09 -0.76 2.22 1.01 -1.05 -4.59 121.20 123.07 2dml s ILE 20 Ca 0.55 0.84 -0.25 0.00 0.00 0.00 0.00 60.65 61.78 2dml s ILE 20 Cb -0.35 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 2dml s ILE 20 CO 0.39 0.11 2.06 -0.70 0.00 0.00 0.00 174.94 176.80 2dml s GLU 21 N 2.18 2.34 0.26 2.79 2.12 -1.26 -1.52 118.70 125.60 2dml s GLU 21 Ca 0.20 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.53 2dml s GLU 21 Cb -0.16 -4.78 -0.09 0.00 0.26 0.00 0.00 34.13 29.37 2dml s GLU 21 CO 0.09 -3.40 1.00 -0.51 -0.54 0.00 0.00 175.26 171.91 2dml s LEU 22 N 10.96 4.60 0.08 2.70 1.43 -0.83 -4.92 118.68 132.70 2dml s LEU 22 Ca 0.77 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.94 2dml s LEU 22 Cb -0.11 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2dml s LEU 22 CO 0.10 0.03 -0.04 0.42 0.23 0.00 0.00 176.35 177.09 2dml s THR 23 N -1.19 0.44 -1.17 5.49 -4.23 -1.26 -4.47 115.64 109.25 2dml s THR 23 Ca 0.43 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 2dml s THR 23 Cb -0.28 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 71.90 2dml s THR 23 CO 0.35 -0.88 0.28 -0.81 -0.54 0.00 0.00 174.62 173.03 2dml n PRO 24 N 0.01 0.49 0.00 3.99 -0.04 -1.26 0.44 135.00 138.62 2dml n PRO 24 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2dml n PRO 24 Cb 0.61 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.13 4.52 0.00 3.54 7.64 -1.26 -4.79 113.62 123.40 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 0.73 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 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 -1.54 3.08 -0.56 6.43 6.94 -0.85 -4.74 115.26 124.02 2dml n ASN 26 Ca 0.00 -0.09 0.42 0.00 -0.02 0.00 0.00 54.58 54.90 2dml n ASN 26 Cb 0.17 0.79 0.65 0.00 -2.36 0.00 0.00 39.78 39.03 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 -1.09 0.05 0.02 -2.53 -0.00 0.17 0.23 117.46 114.30 2dml n PHE 27 Ca 0.00 0.05 -0.22 0.00 -0.00 0.00 0.00 57.45 57.28 2dml n PHE 27 Cb 0.00 -0.45 -0.14 0.00 -0.00 0.00 0.00 39.48 38.89 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 0.41 0.53 -2.13 -1.24 -1.85 -1.40 115.58 109.90 2dml h ASN 28 Ca 0.76 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2dml h ASN 28 Cb 2.99 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 41.91 2dml h ASN 28 CO -0.04 1.64 0.00 0.54 -1.29 0.00 0.00 177.43 178.28 2dml n ARG 29 N -3.88 0.38 -0.09 6.67 3.00 0.62 0.24 116.66 123.61 2dml n ARG 29 Ca -0.25 0.02 -0.19 0.00 -0.01 0.00 0.00 57.85 57.43 2dml n ARG 29 Cb 0.92 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dml n GLU 30 N -1.29 0.37 -0.05 5.56 -0.58 0.33 -4.56 120.64 120.43 2dml n GLU 30 Ca 0.13 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.22 -1.13 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 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 -3.81 0.79 -0.29 2.62 0.31 -0.55 -4.09 118.33 113.32 2dml n VAL 31 Ca -0.34 0.32 0.26 0.00 -0.01 0.00 0.00 64.34 64.56 2dml n VAL 31 Cb 0.73 -1.96 0.59 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.53 0.53 -0.81 2.52 1.08 -1.18 0.62 117.51 119.74 2dml h ILE 32 Ca 0.00 -0.09 -0.43 0.00 -0.39 0.00 0.00 64.86 63.95 2dml h ILE 32 Cb 0.48 0.25 -0.25 0.00 -3.07 0.00 0.00 36.82 34.23 2dml h ILE 32 CO 0.00 0.05 0.54 0.00 -0.69 0.00 0.00 178.15 178.05 2dml n GLN 33 N -4.46 2.03 -3.84 2.37 1.13 0.67 -4.78 117.38 110.50 2dml n GLN 33 Ca 0.23 -2.44 -0.30 0.00 -1.94 0.00 0.00 57.00 52.55 2dml n GLN 33 Cb 0.93 -1.96 -0.15 0.00 0.11 0.00 0.00 30.24 29.18 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 -0.87 4.26 0.57 1.08 0.15 0.22 -4.81 113.70 114.30 2dml s SER 34 Ca 0.46 -1.78 0.28 0.00 0.70 0.00 0.00 55.95 55.61 2dml s SER 34 Cb 0.39 -1.14 1.51 0.00 -1.71 0.00 0.00 66.02 65.07 2dml s SER 34 CO 0.08 -0.39 1.97 -0.78 1.20 0.00 0.00 173.24 175.32 2dml h ASP 35 N 7.92 0.00 -2.55 5.45 3.58 -1.86 -3.42 116.42 125.54 2dml h ASP 35 Ca -0.11 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.19 2dml h ASP 35 Cb 1.02 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.14 2dml h ASP 35 CO 0.48 0.00 0.13 0.61 -2.88 0.00 0.00 179.24 177.58 2dml n GLY 36 N -1.52 -1.63 3.81 -0.78 0.00 -1.26 -4.95 105.19 98.87 2dml n GLY 36 Ca 0.07 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 4.23 -0.04 0.99 2.96 -1.26 -4.72 118.68 120.84 2dml s LEU 37 Ca 0.28 1.54 0.01 0.00 -0.22 0.00 0.00 54.13 55.74 2dml s LEU 37 Cb -0.01 -3.93 0.02 0.00 0.50 0.00 0.00 46.19 42.77 2dml s LEU 37 CO 0.20 -0.09 -0.05 0.26 -1.32 0.00 0.00 176.35 175.35 2dml s TRP 38 N -1.73 0.70 -0.41 5.38 0.52 -0.21 -1.77 118.94 121.42 2dml s TRP 38 Ca 0.50 -0.18 -0.04 0.00 0.02 0.00 0.00 56.10 56.40 2dml s TRP 38 Cb -0.15 -0.60 0.11 0.00 -1.15 0.00 0.00 33.47 31.68 2dml s TRP 38 CO 0.20 -0.15 0.21 -0.51 0.02 0.00 0.00 176.95 176.72 2dml s LEU 39 N 0.70 5.22 -0.24 2.99 1.43 0.41 0.44 118.68 129.64 2dml s LEU 39 Ca -0.09 -1.95 -0.10 0.00 -1.03 0.00 0.00 54.13 50.96 2dml s LEU 39 Cb -0.12 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 2dml s LEU 39 CO 0.00 -0.54 0.15 -0.69 0.23 0.00 0.00 176.35 175.49 2dml s VAL 40 N 1.19 5.22 -0.17 -1.59 1.01 -0.70 -0.83 120.40 124.52 2dml s VAL 40 Ca 0.07 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.18 2dml s VAL 40 Cb -0.23 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.72 2dml s VAL 40 CO -0.03 0.34 -0.14 -0.70 0.00 0.00 0.00 175.10 174.57 2dml s GLU 41 N 1.12 3.20 -0.62 2.72 -6.30 -1.26 -0.06 118.70 117.51 2dml s GLU 41 Ca 0.07 -0.74 -0.21 0.00 -2.50 0.00 0.00 54.97 51.59 2dml s GLU 41 Cb -0.14 -2.69 0.08 0.00 0.00 0.00 0.00 34.13 31.38 2dml s GLU 41 CO 0.05 -0.08 0.83 -0.06 0.02 0.00 0.00 175.26 176.02 2dml s PHE 42 N 1.05 2.84 0.51 5.30 0.40 0.72 -2.20 117.98 126.60 2dml s PHE 42 Ca -0.01 -0.70 0.08 0.00 -0.60 0.00 0.00 56.93 55.70 2dml s PHE 42 Cb -0.15 -4.11 0.04 0.00 0.51 0.00 0.00 43.02 39.31 2dml s PHE 42 CO -0.04 -1.45 0.55 1.52 0.70 0.00 0.00 175.22 176.51 2dml s TYR 43 N 3.38 1.92 -0.07 0.36 -0.85 -1.08 -1.92 117.35 119.09 2dml s TYR 43 Ca 0.17 -0.67 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 2dml s TYR 43 Cb -0.20 -2.13 0.03 0.00 0.38 0.00 0.00 41.96 40.04 2dml s TYR 43 CO 0.09 -0.63 -0.01 0.00 -1.52 0.00 0.00 175.55 173.48 2dml s ALA 44 N -2.62 0.79 -2.00 9.51 0.00 -1.26 -1.01 121.76 125.16 2dml s ALA 44 Ca 0.49 -0.18 0.08 0.00 0.00 0.00 0.00 51.96 52.36 2dml s ALA 44 Cb -0.05 -0.73 0.50 0.00 0.00 0.00 0.00 23.12 22.84 2dml s ALA 44 CO 0.30 -0.40 0.95 -0.35 0.00 0.00 0.00 175.76 176.26 2dml n PRO 45 N 5.00 0.49 -0.00 0.00 -0.04 -1.26 -1.89 135.00 137.29 2dml n PRO 45 Ca -0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.27 -0.01 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 -0.77 0.00 -2.31 0.54 4.27 -1.26 -5.02 117.44 112.89 2dml n TRP 46 Ca 0.06 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.41 2dml n TRP 46 Cb 0.03 -0.02 0.15 0.00 -1.36 0.00 0.00 31.31 30.11 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 -3.26 -0.44 0.30 0.00 0.00 -1.26 -3.95 105.19 96.58 2dml n GLY 48 Ca 0.16 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.09 0.00 0.00 1.61 -0.00 -1.95 0.17 115.15 114.88 2dml h HIS 49 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2dml h HIS 49 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.50 2dml h HIS 49 CO -0.04 0.00 -0.17 0.00 -0.00 0.00 0.00 177.93 177.72 2dml h GLN 51 N -1.00 0.00 -0.01 0.00 4.20 -0.82 0.33 115.11 117.81 2dml h GLN 51 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2dml h GLN 51 Cb 1.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2dml h GLN 51 CO -0.03 0.05 -0.18 2.89 -0.67 0.00 0.00 178.83 180.89 2dml n ARG 52 N -3.72 0.90 -0.28 1.46 -4.01 -0.72 -3.55 116.66 106.75 2dml n ARG 52 Ca -0.02 -0.47 0.12 0.00 -1.04 0.00 0.00 57.85 56.43 2dml n ARG 52 Cb 0.15 -1.49 0.27 0.00 -3.04 0.00 0.00 32.46 28.35 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2dml n LEU 53 N -0.64 3.74 0.06 2.89 7.94 0.10 -4.45 117.00 126.65 2dml n LEU 53 Ca 0.14 -1.75 -0.13 0.00 -1.11 0.00 0.00 56.01 53.16 2dml n LEU 53 Cb 0.33 -0.37 -0.09 0.00 0.53 0.00 0.00 43.42 43.82 2dml n LEU 53 CO 0.24 0.87 0.67 0.74 -1.11 0.00 0.00 177.39 178.80 2dml h THR 54 N 4.43 1.05 -0.21 1.96 2.02 -1.60 -0.84 112.91 119.72 2dml h THR 54 Ca 0.00 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 2dml h THR 54 Cb 1.00 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.86 2dml h THR 54 CO 0.00 0.16 -0.43 1.55 0.37 0.00 0.00 175.52 177.17 2dml h PRO 55 N -0.45 0.52 -0.32 6.66 0.13 -1.85 -1.14 132.00 135.55 2dml h PRO 55 Ca -0.02 -0.27 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2dml h PRO 55 Cb 0.37 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2dml h PRO 55 CO 0.02 0.85 -0.19 0.93 -0.23 0.00 0.00 178.00 179.38 2dml h GLU 56 N 0.42 0.69 -0.14 0.86 5.08 -1.78 -1.93 114.58 117.78 2dml h GLU 56 Ca 0.03 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.00 2dml h GLU 56 Cb 0.92 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 2dml h GLU 56 CO 0.08 0.92 -0.19 2.35 -1.00 0.00 0.00 179.01 181.17 2dml h TRP 57 N 0.45 0.47 -0.48 4.33 -0.00 -1.13 -2.80 115.95 116.79 2dml h TRP 57 Ca 0.07 -0.15 0.05 0.00 -0.00 0.00 0.00 58.89 58.85 2dml h TRP 57 Cb 0.73 -0.09 -0.04 0.00 -0.00 0.00 0.00 29.16 29.76 2dml h TRP 57 CO 0.06 0.81 0.22 0.87 -0.00 0.00 0.00 178.44 180.40 2dml h LYS 58 N -0.01 0.42 -0.59 2.65 1.57 -1.24 -2.31 116.57 117.07 2dml h LYS 58 Ca 0.02 -0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.89 2dml h LYS 58 Cb 0.75 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 2dml h LYS 58 CO 0.05 0.28 -0.10 0.87 -0.57 0.00 0.00 179.45 179.97 2dml h LYS 59 N 0.44 0.03 -0.63 3.15 1.57 -1.37 0.15 116.57 119.91 2dml h LYS 59 Ca 0.21 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2dml h LYS 59 Cb 0.15 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2dml h LYS 59 CO -0.17 0.02 0.31 0.00 -0.57 0.00 0.00 179.45 179.04 2dml h ALA 60 N 1.58 1.36 -0.62 3.86 0.00 -1.43 -2.32 119.26 121.67 2dml h ALA 60 Ca 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2dml h ALA 60 Cb 0.46 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2dml h ALA 60 CO -0.58 0.51 0.22 0.00 0.00 0.00 0.00 179.25 179.40 2dml h ALA 61 N 1.45 1.22 -0.74 0.00 0.00 -0.24 0.22 119.26 121.16 2dml h ALA 61 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2dml h ALA 61 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2dml h ALA 61 CO -0.03 0.56 0.24 1.15 0.00 0.00 0.00 179.25 181.17 2dml h THR 62 N 0.90 1.26 0.05 0.00 2.02 -0.62 1.43 112.91 117.95 2dml h THR 62 Ca 0.21 -0.90 -0.12 0.00 0.77 0.00 0.00 66.41 66.37 2dml h THR 62 Cb 0.22 0.43 0.01 0.00 -1.74 0.00 0.00 68.15 67.08 2dml h THR 62 CO -0.01 0.35 -0.52 0.00 0.37 0.00 0.00 175.52 175.71 2dml h ALA 63 N 1.15 -0.01 -0.10 6.16 0.00 -1.25 -3.25 119.26 121.96 2dml h ALA 63 Ca 0.24 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dml h ALA 63 Cb 0.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dml h ALA 63 CO -0.01 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.77 2dml n LEU 64 N -4.30 1.09 -0.27 0.00 4.77 0.74 -4.23 117.00 114.79 2dml n LEU 64 Ca -0.11 -0.44 0.07 0.00 -0.03 0.00 0.00 56.01 55.49 2dml n LEU 64 Cb 0.66 -0.06 0.19 0.00 -2.33 0.00 0.00 43.42 41.88 2dml n LEU 64 CO 0.44 0.22 0.84 0.50 -1.33 0.00 0.00 177.39 178.07 2dml h LYS 65 N 1.47 0.12 0.00 3.23 3.64 0.19 1.25 116.57 126.47 2dml h LYS 65 Ca 0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2dml h LYS 65 Cb 0.32 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2dml h LYS 65 CO 0.00 0.08 -1.50 -0.25 -2.27 0.00 0.00 179.45 175.50 2dml n ASP 66 N -5.33 0.46 0.00 4.20 8.00 -1.26 -4.61 116.55 118.01 2dml n ASP 66 Ca 0.16 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2dml n ASP 66 Cb 0.53 1.12 0.00 0.00 -0.02 0.00 0.00 41.12 42.75 2dml n ASP 66 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2dml n VAL 67 N -2.51 0.00 -4.99 2.53 0.31 -0.11 -4.94 118.33 108.63 2dml n VAL 67 Ca -0.03 0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 64.47 2dml n VAL 67 Cb 0.59 -1.50 -0.17 0.00 -0.91 0.00 0.00 33.84 31.86 2dml n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dml s VAL 68 N -1.00 2.17 -0.62 2.52 1.01 0.41 -4.69 120.40 120.20 2dml s VAL 68 Ca 0.00 -0.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2dml s VAL 68 Cb 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2dml s VAL 68 CO 0.00 0.55 1.96 -0.54 0.00 0.00 0.00 175.10 177.07 2dml s LYS 69 N 0.50 2.52 -0.63 2.72 -0.14 -0.73 -3.96 119.74 120.03 2dml s LYS 69 Ca -0.14 0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 54.90 2dml s LYS 69 Cb -0.17 -4.49 0.09 0.00 -1.68 0.00 0.00 37.83 31.59 2dml s LYS 69 CO 0.05 -2.91 0.83 0.08 -0.76 0.00 0.00 175.35 172.64 2dml s VAL 70 N 9.74 4.62 0.00 3.17 1.01 -1.26 -0.44 120.40 137.23 2dml s VAL 70 Ca 0.72 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2dml s VAL 70 Cb -0.13 -4.58 0.00 0.00 0.00 0.00 0.00 36.38 31.67 2dml s VAL 70 CO 0.19 -1.28 0.00 0.61 0.00 0.00 0.00 175.10 174.63 2dml n GLY 71 N 5.29 0.65 3.63 4.51 0.00 -0.01 -2.52 105.19 116.75 2dml n GLY 71 Ca -0.06 -1.90 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.87 -2.07 -0.15 4.61 0.00 -0.58 -3.99 121.76 116.71 2dml s ALA 72 Ca 0.00 2.34 0.02 0.00 0.00 0.00 0.00 51.96 54.32 2dml s ALA 72 Cb 0.00 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.39 2dml s ALA 72 CO 0.00 -0.83 -0.21 0.08 0.00 0.00 0.00 175.76 174.80 2dml s VAL 73 N 2.62 2.09 -0.97 0.00 1.01 -0.94 -1.96 120.40 122.25 2dml s VAL 73 Ca -0.06 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.71 2dml s VAL 73 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2dml s VAL 73 CO -0.19 0.55 1.87 0.21 0.00 0.00 0.00 175.10 177.53 2dml s ASN 74 N 0.87 5.37 0.35 3.32 2.47 -1.26 -2.62 114.94 123.45 2dml s ASN 74 Ca -0.06 -0.98 0.17 0.00 0.42 0.00 0.00 52.86 52.42 2dml s ASN 74 Cb -0.15 -2.57 1.21 0.00 -1.45 0.00 0.00 41.25 38.30 2dml s ASN 74 CO -0.03 -2.57 1.61 0.00 -3.72 0.00 0.00 177.10 172.40 2dml h ALA 75 N 10.75 2.03 -0.28 1.71 0.00 -1.35 1.00 119.26 133.12 2dml h ALA 75 Ca 0.14 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dml h ALA 75 Cb 0.99 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dml h ALA 75 CO 1.25 -0.78 0.17 0.22 0.00 0.00 0.00 179.25 180.10 2dml h ASP 76 N 0.13 0.33 0.02 0.00 3.58 -1.87 -0.55 116.42 118.06 2dml h ASP 76 Ca 0.79 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 58.19 2dml h ASP 76 Cb 1.97 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.93 2dml h ASP 76 CO -0.71 0.29 -0.01 0.50 -2.88 0.00 0.00 179.24 176.43 2dml h LYS 77 N 0.35 -0.02 -1.91 0.28 3.64 -0.16 -3.34 116.57 115.42 2dml h LYS 77 Ca 0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2dml h LYS 77 Cb 0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2dml h LYS 77 CO -0.02 0.04 0.07 0.72 -2.27 0.00 0.00 179.45 177.99 2dml n HIS 78 N -4.79 0.32 -0.45 1.91 8.25 0.29 -4.58 115.22 116.17 2dml n HIS 78 Ca -0.01 -1.22 0.38 0.00 -0.26 0.00 0.00 57.72 56.61 2dml n HIS 78 Cb 0.03 -0.65 0.66 0.00 1.12 0.00 0.00 29.99 31.15 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 1.21 0.04 -0.04 -0.41 1.08 -1.21 0.58 115.11 116.36 2dml h GLN 79 Ca 0.07 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.28 2dml h GLN 79 Cb 1.00 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 2dml h GLN 79 CO 0.17 0.03 -0.02 0.77 -0.95 0.00 0.00 178.83 178.83 2dml h SER 80 N 0.05 -0.08 0.06 1.46 0.02 -1.84 0.12 113.55 113.33 2dml h SER 80 Ca 0.85 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.83 2dml h SER 80 Cb 2.67 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 65.24 2dml h SER 80 CO -0.47 -0.03 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.03 2dml h LEU 81 N -0.02 -0.25 0.92 5.07 3.38 -0.21 0.39 115.31 124.59 2dml h LEU 81 Ca 0.03 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2dml h LEU 81 Cb 0.06 0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.91 2dml h LEU 81 CO -0.06 -0.14 -0.47 1.23 0.09 0.00 0.00 178.44 179.10 2dml h GLY 82 N -0.19 -1.34 1.39 0.83 0.00 -1.30 -2.94 103.07 99.53 2dml h GLY 82 Ca 0.02 0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.90 2dml h GLY 82 CO -0.05 -0.48 0.31 -1.33 0.00 0.00 0.00 176.54 174.99 2dml h GLY 83 N -1.26 0.55 1.92 4.60 0.00 -0.77 -0.04 103.07 108.06 2dml h GLY 83 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.02 2dml h GLY 83 CO 0.19 0.16 0.03 -0.18 0.00 0.00 0.00 176.54 176.74 2dml n GLN 84 N -4.48 0.11 -0.06 4.80 7.27 0.14 -2.16 117.38 122.99 2dml n GLN 84 Ca 0.05 0.60 -0.08 0.00 0.07 0.00 0.00 57.00 57.64 2dml n GLN 84 Cb 0.19 -1.88 -0.06 0.00 2.41 0.00 0.00 30.24 30.89 2dml n GLN 84 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2dml n TYR 85 N -2.08 0.00 0.00 3.69 4.02 -0.13 -5.03 117.16 117.63 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 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 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 2.82 0.80 3.67 2.72 0.00 -0.61 -5.10 105.19 109.50 2dml n GLY 86 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 2dml n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dml s VAL 87 N -0.80 4.65 0.00 1.61 1.01 -0.85 -4.86 120.40 121.16 2dml s VAL 87 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2dml s VAL 87 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2dml s VAL 87 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 175.10 175.02 2dml n GLN 88 N 5.68 2.29 -3.85 2.72 -0.00 -1.26 -4.39 117.38 118.58 2dml n GLN 88 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 57.00 56.85 2dml n GLN 88 Cb 0.47 -0.87 -0.17 0.00 -0.00 0.00 0.00 30.24 29.67 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2dml s GLY 89 N -2.76 0.73 0.29 2.61 0.00 -1.26 -5.14 107.32 101.79 2dml s GLY 89 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 44.72 44.27 2dml s GLY 89 CO 0.00 0.98 0.46 -1.36 0.00 0.00 0.00 173.10 173.18 2dml s PHE 90 N 1.79 3.48 0.44 1.90 0.08 -1.26 -4.06 117.98 120.35 2dml s PHE 90 Ca 0.04 0.19 -0.24 0.00 0.12 0.00 0.00 56.93 57.04 2dml s PHE 90 Cb -0.13 -1.75 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2dml s PHE 90 CO -0.07 0.27 1.17 -1.25 -0.10 0.00 0.00 175.22 175.24 2dml s PRO 91 N -4.12 3.84 -0.29 0.24 0.04 -1.26 -4.87 135.00 128.58 2dml s PRO 91 Ca 0.37 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.23 2dml s PRO 91 Cb -0.09 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.04 2dml s PRO 91 CO 0.33 -0.49 0.03 0.99 0.04 0.00 0.00 177.00 177.90 2dml s THR 92 N -1.50 1.51 -0.09 1.26 2.01 -0.81 -4.97 115.64 113.05 2dml s THR 92 Ca 0.62 -1.61 -0.18 0.00 0.31 0.00 0.00 61.69 60.83 2dml s THR 92 Cb -0.29 -2.01 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 2dml s THR 92 CO 0.36 -0.45 0.47 -0.63 -0.69 0.00 0.00 174.62 173.68 2dml s ILE 93 N 1.33 5.14 -0.08 1.82 1.01 -1.26 -0.20 121.20 128.96 2dml s ILE 93 Ca 0.05 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.67 2dml s ILE 93 Cb -0.18 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.49 2dml s ILE 93 CO -0.13 0.37 -0.14 -0.54 0.00 0.00 0.00 174.94 174.50 2dml s LYS 94 N 0.30 1.95 0.11 2.79 -0.14 0.91 -2.60 119.74 123.06 2dml s LYS 94 Ca 0.26 -0.48 -0.21 0.00 -1.36 0.00 0.00 55.97 54.17 2dml s LYS 94 Cb -0.16 -1.62 -0.07 0.00 -1.68 0.00 0.00 37.83 34.30 2dml s LYS 94 CO 0.11 -0.00 0.64 0.42 -0.76 0.00 0.00 175.35 175.76 2dml s ILE 95 N 0.78 4.61 -0.12 2.17 1.01 -0.84 -1.73 121.20 127.08 2dml s ILE 95 Ca -0.12 1.39 0.03 0.00 0.00 0.00 0.00 60.65 61.95 2dml s ILE 95 Cb -0.16 -3.98 0.01 0.00 0.01 0.00 0.00 42.46 38.34 2dml s ILE 95 CO 0.02 0.54 -0.21 -0.36 0.00 0.00 0.00 174.94 174.93 2dml s PHE 96 N -1.13 2.50 0.00 3.97 0.40 0.17 -1.77 117.98 122.12 2dml s PHE 96 Ca 0.32 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 2dml s PHE 96 Cb -0.21 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2dml s PHE 96 CO 0.22 -0.54 0.00 0.41 0.70 0.00 0.00 175.22 176.01 2dml n GLY 97 N 3.97 -1.48 0.00 4.36 0.00 -1.26 -1.05 105.19 109.73 2dml n GLY 97 Ca -0.20 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 -3.74 4.61 0.00 -1.26 -3.63 120.51 113.49 2dml n ALA 98 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2dml n ALA 98 Cb 0.00 0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.99 5.21 0.54 0.00 2.47 -1.26 -4.92 114.94 113.99 2dml s ASN 99 Ca 0.00 -2.70 0.21 0.00 0.42 0.00 0.00 52.86 50.78 2dml s ASN 99 Cb 0.00 -1.84 1.12 0.00 -1.45 0.00 0.00 41.25 39.07 2dml s ASN 99 CO 0.00 -0.40 1.59 0.11 -3.72 0.00 0.00 177.10 174.68 2dml h LYS 100 N 7.21 0.00 0.03 0.43 1.79 -1.95 0.66 116.57 124.74 2dml h LYS 100 Ca -0.04 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.21 2dml h LYS 100 Cb 0.97 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.60 2dml h LYS 100 CO 0.71 0.00 -1.03 -0.91 -1.08 0.00 0.00 179.45 177.14 2dml h ASN 101 N 0.00 0.13 -2.92 0.86 2.35 -1.93 -3.42 115.58 110.65 2dml h ASN 101 Ca 0.00 -0.14 -0.54 0.00 -0.55 0.00 0.00 56.30 55.08 2dml h ASN 101 Cb 0.79 -0.04 -0.40 0.00 0.05 0.00 0.00 38.32 38.72 2dml h ASN 101 CO 0.00 1.07 -0.77 -0.54 -1.65 0.00 0.00 177.43 175.54 2dml s LYS 102 N -2.79 0.33 1.17 0.81 1.02 0.23 -5.10 119.74 115.41 2dml s LYS 102 Ca -0.01 -0.63 -0.18 0.00 0.02 0.00 0.00 55.97 55.18 2dml s LYS 102 Cb 0.09 -1.45 0.27 0.00 -0.52 0.00 0.00 37.83 36.22 2dml s LYS 102 CO 0.83 -0.97 1.11 -1.25 -0.92 0.00 0.00 175.35 174.15 2dml s PRO 103 N 1.97 -0.96 0.00 -1.68 0.04 -1.24 -4.43 135.00 128.71 2dml s PRO 103 Ca 0.08 0.03 0.05 0.00 0.04 0.00 0.00 61.00 61.20 2dml s PRO 103 Cb -0.16 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2dml s PRO 103 CO -0.31 -3.55 -0.15 -1.83 0.04 0.00 0.00 177.00 171.20 2dml s GLU 104 N -5.33 2.31 -0.07 4.56 -1.05 -0.73 -4.90 118.70 113.49 2dml s GLU 104 Ca 0.70 -0.84 -0.33 0.00 -0.15 0.00 0.00 54.97 54.35 2dml s GLU 104 Cb -0.11 -2.31 -0.11 0.00 -0.44 0.00 0.00 34.13 31.16 2dml s GLU 104 CO 0.56 0.58 1.91 -0.40 0.95 0.00 0.00 175.26 178.87 2dml n ASP 105 N 1.81 3.58 -4.61 0.83 5.75 -1.26 -1.98 116.55 120.66 2dml n ASP 105 Ca -0.16 0.94 -0.43 0.00 -0.01 0.00 0.00 54.79 55.13 2dml n ASP 105 Cb 0.52 -1.40 -0.03 0.00 -1.03 0.00 0.00 41.12 39.18 2dml n ASP 105 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2dml s TYR 106 N 4.30 1.60 -0.72 2.11 6.14 -1.07 -4.90 117.35 124.81 2dml s TYR 106 Ca 0.93 0.49 0.04 0.00 0.64 0.00 0.00 57.07 59.17 2dml s TYR 106 Cb -0.64 -4.05 0.25 0.00 0.42 0.00 0.00 41.96 37.94 2dml s TYR 106 CO 0.50 -3.55 0.81 0.94 0.64 0.00 0.00 175.55 174.89 2dml n GLN 107 N 8.34 2.70 -3.10 4.97 -0.06 -1.26 -4.92 117.38 124.04 2dml n GLN 107 Ca 0.24 -4.63 -0.10 0.00 -2.00 0.00 0.00 57.00 50.51 2dml n GLN 107 Cb 0.45 -2.30 -0.03 0.00 -4.06 0.00 0.00 30.24 24.30 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dml n GLY 108 N 1.11 3.04 3.77 1.69 0.00 -1.26 -5.09 105.19 108.44 2dml n GLY 108 Ca 0.28 -1.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.25 2dml n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dml s GLY 109 N -2.26 2.86 -0.36 -0.02 0.00 -1.26 -4.92 107.32 101.36 2dml s GLY 109 Ca 0.20 1.05 -0.02 0.00 0.00 0.00 0.00 44.72 45.94 2dml s GLY 109 CO 0.14 1.57 2.31 0.54 0.00 0.00 0.00 173.10 177.65 2dml n ARG 110 N -0.09 2.03 -4.22 2.90 5.12 -1.26 -3.47 116.66 117.67 2dml n ARG 110 Ca 0.05 -1.85 -0.20 0.00 -1.93 0.00 0.00 57.85 53.92 2dml n ARG 110 Cb 0.46 -1.81 -0.16 0.00 -1.16 0.00 0.00 32.46 29.78 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dml s THR 111 N -2.27 0.59 0.35 0.55 -4.23 -1.26 -4.99 115.64 104.39 2dml s THR 111 Ca 0.42 -0.17 0.28 0.00 -1.18 0.00 0.00 61.69 61.04 2dml s THR 111 Cb 0.30 -0.59 0.43 0.00 1.34 0.00 0.00 72.50 73.98 2dml s THR 111 CO -0.08 0.23 1.15 0.61 -0.54 0.00 0.00 174.62 175.99 2dml n GLY 112 N 3.88 -0.66 0.07 3.99 0.00 -1.06 0.17 105.19 111.58 2dml n GLY 112 Ca -0.24 0.54 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 2dml n GLY 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2dml h GLU 113 N 0.00 0.03 0.28 1.61 4.11 -1.93 -3.15 114.58 115.53 2dml h GLU 113 Ca 0.66 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 60.05 2dml h GLU 113 Cb 2.33 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.59 2dml h GLU 113 CO -0.23 0.74 -0.13 0.00 0.07 0.00 0.00 179.01 179.46 2dml h ALA 114 N 0.29 -0.38 -1.08 1.06 0.00 0.14 -2.54 119.26 116.76 2dml h ALA 114 Ca -0.00 -0.09 0.30 0.00 0.00 0.00 0.00 54.91 55.12 2dml h ALA 114 Cb 0.75 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.58 2dml h ALA 114 CO 0.01 -0.70 0.67 0.82 0.00 0.00 0.00 179.25 180.05 2dml h ILE 115 N -0.39 0.43 -0.90 0.00 2.04 -1.12 0.39 117.51 117.96 2dml h ILE 115 Ca -0.04 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2dml h ILE 115 Cb 0.30 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 2dml h ILE 115 CO 0.06 0.07 0.60 0.58 0.00 0.00 0.00 178.15 179.45 2dml h VAL 116 N 0.36 1.23 0.00 1.67 2.07 -1.41 -1.52 116.25 118.65 2dml h VAL 116 Ca 0.66 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 2dml h VAL 116 Cb 1.67 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2dml h VAL 116 CO -0.39 0.22 -0.42 -0.78 0.02 0.00 0.00 177.57 176.22 2dml h ASP 117 N 1.21 0.00 0.03 0.57 1.82 -0.20 -2.96 116.42 116.89 2dml h ASP 117 Ca 0.33 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.97 2dml h ASP 117 Cb -0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.88 2dml h ASP 117 CO -0.07 0.42 -0.01 0.00 -1.61 0.00 0.00 179.24 177.96 2dml h ALA 118 N 1.58 -0.03 -0.77 -0.78 0.00 -0.51 -1.98 119.26 116.77 2dml h ALA 118 Ca -0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2dml h ALA 118 Cb 0.90 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 2dml h ALA 118 CO 0.05 -0.27 0.47 0.00 0.00 0.00 0.00 179.25 179.50 2dml h ALA 119 N 0.42 1.05 0.17 0.00 0.00 -1.34 -2.17 119.26 117.39 2dml h ALA 119 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dml h ALA 119 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dml h ALA 119 CO 0.01 0.20 -0.08 -0.07 0.00 0.00 0.00 179.25 179.30 2dml h LEU 120 N 0.87 -0.20 -0.73 0.00 3.38 -1.54 -1.12 115.31 115.97 2dml h LEU 120 Ca 0.33 -0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.33 2dml h LEU 120 Cb 0.14 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 2dml h LEU 120 CO -0.16 0.02 0.16 -1.28 0.09 0.00 0.00 178.44 177.26 2dml h SER 121 N -0.41 -0.02 -0.25 -0.43 0.87 -1.06 -0.90 113.55 111.36 2dml h SER 121 Ca -0.02 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2dml h SER 121 Cb 0.32 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2dml h SER 121 CO 0.04 -0.05 0.01 0.00 -0.53 0.00 0.00 176.83 176.31 2dml h ALA 122 N 1.61 0.33 -0.57 6.23 0.00 -1.28 -3.23 119.26 122.35 2dml h ALA 122 Ca 0.41 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2dml h ALA 122 Cb 0.69 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.29 2dml h ALA 122 CO -0.51 0.05 -0.52 1.25 0.00 0.00 0.00 179.25 179.51 2dml h LEU 123 N 0.21 -1.78 -0.92 0.00 7.12 0.15 -0.48 115.31 119.62 2dml h LEU 123 Ca 0.07 0.26 0.15 0.00 0.13 0.00 0.00 57.88 58.49 2dml h LEU 123 Cb 0.39 0.77 -0.15 0.00 -0.53 0.00 0.00 40.66 41.13 2dml h LEU 123 CO 0.01 -0.35 -0.32 0.54 -0.13 0.00 0.00 178.44 178.18 2dml n ARG 124 N -5.37 -0.18 -0.25 1.25 1.74 -0.96 0.12 116.66 113.01 2dml n ARG 124 Ca -0.01 1.42 0.00 0.00 -0.77 0.00 0.00 57.85 58.49 2dml n ARG 124 Cb 0.33 -2.10 0.13 0.00 -1.02 0.00 0.00 32.46 29.80 2dml n ARG 124 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2dml h SER 125 N 0.00 0.57 -1.85 0.55 0.87 -1.19 -3.43 113.55 109.06 2dml h SER 125 Ca 0.35 0.04 -0.53 0.00 -1.23 0.00 0.00 61.79 60.43 2dml h SER 125 Cb 0.58 -0.06 0.20 0.00 -0.44 0.00 0.00 62.40 62.67 2dml h SER 125 CO -0.92 0.34 -1.47 0.61 -0.53 0.00 0.00 176.83 174.86 2dml n GLY 126 N -1.30 -3.80 3.77 5.77 0.00 0.32 -4.90 105.19 105.05 2dml n GLY 126 Ca 0.11 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.49 2.25 -1.65 1.61 0.04 -1.26 -3.61 135.00 130.89 2dml s PRO 127 Ca 0.43 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 2dml s PRO 127 Cb -0.28 -1.90 0.13 0.00 0.04 0.00 0.00 34.50 32.49 2dml s PRO 127 CO 0.71 -1.65 0.67 -1.13 0.04 0.00 0.00 177.00 175.64 2dml n SER 128 N -3.51 -2.48 -4.25 6.66 3.41 -1.26 -4.94 113.62 107.26 2dml n SER 128 Ca 0.09 -1.04 -0.28 0.00 -0.26 0.00 0.00 58.87 57.39 2dml n SER 128 Cb 0.53 -2.70 -0.15 0.00 -0.26 0.00 0.00 64.21 61.63 2dml n SER 128 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dml s SER 129 N -3.54 2.59 0.00 4.04 0.15 -1.24 -5.18 113.70 110.52 2dml s SER 129 Ca 0.57 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.80 2dml s SER 129 Cb -0.31 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2dml s SER 129 CO 0.93 0.25 0.00 0.61 1.20 0.00 0.00 173.24 176.23