#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml s SER 2 N 0.00 1.29 -0.40 1.61 0.01 -1.26 -4.78 113.70 110.17 2dml s SER 2 Ca 0.00 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2dml s SER 2 Cb 0.00 0.05 0.22 0.00 0.21 0.00 0.00 66.02 66.50 2dml s SER 2 CO 0.00 -0.37 2.16 -1.20 0.41 0.00 0.00 173.24 174.25 2dml n SER 3 N 0.24 6.65 -3.02 2.44 7.64 -1.26 -4.90 113.62 121.41 2dml n SER 3 Ca -0.14 -3.20 -0.27 0.00 1.01 0.00 0.00 58.87 56.28 2dml n SER 3 Cb 0.59 -1.08 0.02 0.00 -1.01 0.00 0.00 64.21 62.73 2dml n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 4 N 0.27 -0.15 3.57 0.23 0.00 -1.26 -4.71 105.19 103.14 2dml n GLY 4 Ca 0.38 0.75 -0.40 0.00 0.00 0.00 0.00 46.02 46.75 2dml n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dml n SER 5 N -0.39 4.54 -3.89 1.61 7.64 -1.26 -4.42 113.62 117.45 2dml n SER 5 Ca -0.11 -2.87 -0.31 0.00 1.01 0.00 0.00 58.87 56.59 2dml n SER 5 Cb 0.51 -1.75 -0.07 0.00 -1.01 0.00 0.00 64.21 61.90 2dml n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dml n SER 6 N 9.58 -0.78 0.00 6.43 3.41 -1.26 -4.36 113.62 126.64 2dml n SER 6 Ca 0.48 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2dml n SER 6 Cb 0.46 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.16 2dml n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dml n GLY 7 N -1.33 0.59 2.96 5.00 0.00 -1.26 -5.07 105.19 106.08 2dml n GLY 7 Ca -0.01 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.70 0.62 0.26 4.61 0.00 -1.26 -5.07 121.76 118.22 2dml s ALA 8 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 51.96 51.86 2dml s ALA 8 Cb 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2dml s ALA 8 CO 0.00 0.09 -0.15 0.14 0.00 0.00 0.00 175.76 175.85 2dml s VAL 9 N 0.20 2.77 -0.03 0.00 -7.23 -1.26 -5.08 120.40 109.77 2dml s VAL 9 Ca -0.02 -2.18 -0.15 0.00 -1.81 0.00 0.00 61.98 57.81 2dml s VAL 9 Cb -0.07 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 2dml s VAL 9 CO -0.00 -0.34 0.67 0.28 -0.31 0.00 0.00 175.10 175.40 2dml h SER 10 N 2.33 -0.47 0.00 4.85 0.02 -2.02 -3.50 113.55 114.76 2dml h SER 10 Ca -0.42 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2dml h SER 10 Cb 1.25 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2dml h SER 10 CO 0.58 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.81 2dml n GLY 11 N 0.31 0.30 0.07 -3.77 0.00 -1.26 -4.71 105.19 96.13 2dml n GLY 11 Ca -0.07 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.00-10.29 0.99 3.38 -1.97 -3.46 115.31 103.96 2dml h LEU 12 Ca 0.00 -0.92 -0.51 0.00 0.09 0.00 0.00 57.88 56.54 2dml h LEU 12 Cb 0.00 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.88 2dml h LEU 12 CO 0.00 0.94 0.33 -0.31 0.09 0.00 0.00 178.44 179.49 2dml s TYR 13 N -2.35 2.58 0.21 1.13 1.51 -1.26 -5.06 117.35 114.10 2dml s TYR 13 Ca -0.18 1.56 0.03 0.00 -1.01 0.00 0.00 57.07 57.46 2dml s TYR 13 Cb -0.03 -3.07 -0.01 0.00 -0.11 0.00 0.00 41.96 38.74 2dml s TYR 13 CO 0.66 -1.78 0.22 0.43 -1.11 0.00 0.00 175.55 173.96 2dml n SER 14 N -3.30 -0.58 -0.08 2.29 7.64 -1.26 -4.94 113.62 113.39 2dml n SER 14 Ca 0.09 -2.27 -0.09 0.00 1.01 0.00 0.00 58.87 57.61 2dml n SER 14 Cb 0.53 1.21 -0.02 0.00 -1.01 0.00 0.00 64.21 64.92 2dml n SER 14 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dml h SER 15 N 1.23 0.27 -0.77 6.43 0.87 -1.97 -2.92 113.55 116.69 2dml h SER 15 Ca -0.15 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.54 2dml h SER 15 Cb 0.73 -0.06 -0.13 0.00 -0.44 0.00 0.00 62.40 62.50 2dml h SER 15 CO 0.21 0.20 -0.26 -1.54 -0.53 0.00 0.00 176.83 174.92 2dml n SER 16 N -4.92 -0.41 -4.78 6.23 3.41 -1.26 -4.35 113.62 107.54 2dml n SER 16 Ca -0.01 1.34 -0.32 0.00 -0.26 0.00 0.00 58.87 59.62 2dml n SER 16 Cb 0.05 -0.35 0.06 0.00 -0.26 0.00 0.00 64.21 63.70 2dml n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2dml s ASP 17 N -5.25 5.06 0.00 4.04 -4.77 -1.10 -4.94 116.67 109.71 2dml s ASP 17 Ca -0.11 1.88 0.28 0.00 -3.30 0.00 0.00 52.55 51.30 2dml s ASP 17 Cb 0.18 -2.53 1.15 0.00 -1.09 0.00 0.00 42.92 40.62 2dml s ASP 17 CO 0.57 -1.66 1.80 -0.67 0.70 0.00 0.00 175.17 175.91 2dml n ASP 18 N -2.77 1.14 -4.73 2.11 -0.08 -1.26 -4.88 116.55 106.07 2dml n ASP 18 Ca 0.09 -1.27 -0.42 0.00 -1.51 0.00 0.00 54.79 51.69 2dml n ASP 18 Cb 0.53 0.01 -0.02 0.00 2.34 0.00 0.00 41.12 43.97 2dml n ASP 18 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2dml s VAL 19 N -2.11 2.24 -0.24 5.18 1.01 -1.26 -4.86 120.40 120.36 2dml s VAL 19 Ca 0.37 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 2dml s VAL 19 Cb 0.21 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2dml s VAL 19 CO 0.38 0.02 0.68 -0.63 0.00 0.00 0.00 175.10 175.54 2dml s ILE 20 N 0.59 4.96 -0.72 2.22 1.01 -1.01 -4.93 121.20 123.30 2dml s ILE 20 Ca 0.68 1.24 -0.26 0.00 0.00 0.00 0.00 60.65 62.31 2dml s ILE 20 Cb -0.47 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 2dml s ILE 20 CO 0.39 0.02 2.03 -0.70 0.00 0.00 0.00 174.94 176.68 2dml s GLU 21 N 2.47 2.40 0.14 2.79 2.56 -1.26 -1.61 118.70 126.20 2dml s GLU 21 Ca 0.29 0.38 -0.30 0.00 0.00 0.00 0.00 54.97 55.33 2dml s GLU 21 Cb -0.16 -4.70 -0.07 0.00 2.00 0.00 0.00 34.13 31.20 2dml s GLU 21 CO 0.09 -3.25 0.99 -0.51 -0.56 0.00 0.00 175.26 172.02 2dml s LEU 22 N 10.56 4.52 0.13 2.70 1.43 -0.78 -4.93 118.68 132.30 2dml s LEU 22 Ca 0.75 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.76 2dml s LEU 22 Cb -0.11 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2dml s LEU 22 CO 0.12 -0.07 -0.06 0.42 0.23 0.00 0.00 176.35 176.99 2dml s THR 23 N -0.21 0.84 -1.17 5.49 -4.23 -1.26 -4.47 115.64 110.63 2dml s THR 23 Ca 0.47 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2dml s THR 23 Cb -0.25 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 71.74 2dml s THR 23 CO 0.31 -0.73 0.28 -0.81 -0.54 0.00 0.00 174.62 173.13 2dml n PRO 24 N -0.14 0.48 0.00 3.99 -0.04 -1.26 0.46 135.00 138.49 2dml n PRO 24 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 4.44 0.00 3.54 7.64 -1.26 -4.79 113.62 123.31 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 0.79 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 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 -1.44 2.83 -0.58 6.43 6.94 -0.83 -4.74 115.26 123.86 2dml n ASN 26 Ca 0.00 -0.07 0.44 0.00 -0.02 0.00 0.00 54.58 54.93 2dml n ASN 26 Cb 0.10 0.70 0.68 0.00 -2.36 0.00 0.00 39.78 38.90 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 -0.98 0.07 0.04 -2.53 -0.00 0.17 0.22 117.46 114.45 2dml n PHE 27 Ca 0.00 0.07 -0.22 0.00 -0.00 0.00 0.00 57.45 57.30 2dml n PHE 27 Cb 0.00 -0.49 -0.14 0.00 -0.00 0.00 0.00 39.48 38.85 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 0.49 0.58 -2.13 -1.24 -1.85 -1.42 115.58 110.00 2dml h ASN 28 Ca 0.79 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.90 2dml h ASN 28 Cb 3.11 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 42.00 2dml h ASN 28 CO -0.05 1.70 0.00 0.54 -1.29 0.00 0.00 177.43 178.33 2dml n ARG 29 N -3.77 0.40 -0.09 6.67 3.00 0.61 0.24 116.66 123.73 2dml n ARG 29 Ca -0.25 0.01 -0.17 0.00 -0.01 0.00 0.00 57.85 57.43 2dml n ARG 29 Cb 0.98 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.87 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 -1.30 0.39 -0.04 5.56 -0.58 0.35 -4.57 120.64 120.45 2dml n GLU 30 Ca 0.14 0.14 -0.04 0.00 -0.42 0.00 0.00 57.16 56.98 2dml n GLU 30 Cb 0.24 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 29.91 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 -3.55 0.76 -0.29 2.62 0.31 -0.56 -4.21 118.33 113.41 2dml n VAL 31 Ca -0.33 0.31 0.26 0.00 -0.01 0.00 0.00 64.34 64.57 2dml n VAL 31 Cb 0.77 -1.88 0.60 0.00 -0.91 0.00 0.00 33.84 32.42 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 -0.47 0.52 -0.77 2.52 1.08 -1.20 0.70 117.51 119.89 2dml h ILE 32 Ca 0.00 -0.08 -0.39 0.00 -0.39 0.00 0.00 64.86 64.00 2dml h ILE 32 Cb 0.47 0.26 -0.23 0.00 -3.07 0.00 0.00 36.82 34.25 2dml h ILE 32 CO 0.00 0.04 0.49 0.00 -0.69 0.00 0.00 178.15 178.00 2dml n GLN 33 N -4.44 2.09 -4.25 2.37 1.13 0.67 -4.87 117.38 110.08 2dml n GLN 33 Ca 0.24 -2.37 -0.33 0.00 -1.94 0.00 0.00 57.00 52.59 2dml n GLN 33 Cb 0.96 -1.94 -0.15 0.00 0.11 0.00 0.00 30.24 29.22 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 -0.80 3.55 -0.05 1.08 0.15 0.25 -4.82 113.70 113.06 2dml s SER 34 Ca 0.45 -0.53 0.02 0.00 0.70 0.00 0.00 55.95 56.59 2dml s SER 34 Cb 0.37 -1.56 0.14 0.00 -1.71 0.00 0.00 66.02 63.26 2dml s SER 34 CO 0.09 0.03 0.77 -0.67 1.20 0.00 0.00 173.24 174.66 2dml n ASP 35 N 4.43 1.99 0.00 5.45 -0.08 -1.26 -4.82 116.55 122.26 2dml n ASP 35 Ca -0.20 -2.17 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 2dml n ASP 35 Cb 0.51 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.43 2dml n ASP 35 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dml n GLY 36 N 0.12 5.48 3.85 0.27 0.00 -1.26 -5.09 105.19 108.57 2dml n GLY 36 Ca 0.05 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 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 4.31 -0.06 0.99 2.96 -1.26 -4.55 118.68 121.08 2dml s LEU 37 Ca 0.00 0.43 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 2dml s LEU 37 Cb 0.00 -2.05 0.02 0.00 0.50 0.00 0.00 46.19 44.65 2dml s LEU 37 CO 0.00 0.39 -0.09 0.26 -1.32 0.00 0.00 176.35 175.59 2dml s TRP 38 N -0.92 1.18 -0.41 5.38 0.52 0.03 -1.72 118.94 123.00 2dml s TRP 38 Ca 0.14 -0.40 -0.04 0.00 0.02 0.00 0.00 56.10 55.82 2dml s TRP 38 Cb -0.12 -0.91 0.11 0.00 -1.15 0.00 0.00 33.47 31.40 2dml s TRP 38 CO 0.03 -0.24 0.21 -0.51 0.02 0.00 0.00 176.95 176.47 2dml s LEU 39 N 0.72 5.23 -0.24 2.99 1.43 0.06 0.49 118.68 129.36 2dml s LEU 39 Ca -0.13 -1.97 -0.09 0.00 -1.03 0.00 0.00 54.13 50.90 2dml s LEU 39 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2dml s LEU 39 CO 0.02 -0.54 0.12 -0.69 0.23 0.00 0.00 176.35 175.49 2dml s VAL 40 N 1.17 4.98 -0.23 -1.59 1.01 -0.51 -1.30 120.40 123.94 2dml s VAL 40 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 2dml s VAL 40 Cb -0.23 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.85 2dml s VAL 40 CO -0.04 0.35 -0.08 -0.70 0.00 0.00 0.00 175.10 174.63 2dml s GLU 41 N 1.17 3.02 -0.50 2.72 -6.30 -1.26 0.02 118.70 117.58 2dml s GLU 41 Ca 0.06 -0.85 -0.26 0.00 -2.50 0.00 0.00 54.97 51.43 2dml s GLU 41 Cb -0.14 -2.91 0.03 0.00 0.00 0.00 0.00 34.13 31.11 2dml s GLU 41 CO 0.05 -0.30 0.99 -0.06 0.02 0.00 0.00 175.26 175.96 2dml s PHE 42 N 1.36 2.83 0.50 5.30 0.40 0.86 -2.75 117.98 126.49 2dml s PHE 42 Ca 0.03 0.33 0.05 0.00 -0.60 0.00 0.00 56.93 56.74 2dml s PHE 42 Cb -0.15 -4.14 0.00 0.00 0.51 0.00 0.00 43.02 39.25 2dml s PHE 42 CO -0.06 -1.25 0.26 1.52 0.70 0.00 0.00 175.22 176.39 2dml s TYR 43 N 4.06 1.96 -0.07 0.36 -0.85 -1.07 -1.49 117.35 120.25 2dml s TYR 43 Ca 0.38 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 2dml s TYR 43 Cb -0.10 -1.87 0.03 0.00 0.38 0.00 0.00 41.96 40.40 2dml s TYR 43 CO 0.25 -0.15 -0.00 0.00 -1.52 0.00 0.00 175.55 174.13 2dml s ALA 44 N -2.74 0.74 -2.00 9.51 0.00 -1.26 -1.06 121.76 124.95 2dml s ALA 44 Ca 0.30 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.17 2dml s ALA 44 Cb 0.00 -0.74 0.33 0.00 0.00 0.00 0.00 23.12 22.71 2dml s ALA 44 CO 0.18 -0.44 0.80 -0.35 0.00 0.00 0.00 175.76 175.95 2dml n PRO 45 N 5.09 0.49 -0.00 0.00 -0.04 -1.26 -1.85 135.00 137.43 2dml n PRO 45 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dml n PRO 45 Cb 0.50 -1.18 -0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.68 0.00 -2.38 0.54 4.27 -1.26 -5.03 117.44 112.90 2dml n TRP 46 Ca 0.04 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.41 2dml n TRP 46 Cb 0.02 -0.00 0.14 0.00 -1.36 0.00 0.00 31.31 30.10 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 -2.61 -0.37 0.27 0.00 0.00 -1.26 -4.00 105.19 97.22 2dml n GLY 48 Ca 0.16 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.20 0.00 0.04 1.61 -0.00 -1.95 0.18 115.15 114.83 2dml h HIS 49 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 60.37 60.23 2dml h HIS 49 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2dml h HIS 49 CO -0.08 0.00 -0.74 0.00 -0.00 0.00 0.00 177.93 177.10 2dml h GLN 51 N -0.80 0.00 -0.00 0.00 4.20 -0.81 0.05 115.11 117.74 2dml h GLN 51 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 2dml h GLN 51 Cb 1.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.08 2dml h GLN 51 CO -0.04 0.03 -0.42 2.89 -0.67 0.00 0.00 178.83 180.62 2dml n ARG 52 N -3.38 0.18 -0.23 1.46 -4.01 -0.74 -3.63 116.66 106.31 2dml n ARG 52 Ca -0.02 -0.10 0.10 0.00 -1.04 0.00 0.00 57.85 56.78 2dml n ARG 52 Cb 0.15 -1.50 0.26 0.00 -3.04 0.00 0.00 32.46 28.33 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 -1.32 2.87 0.03 2.89 7.94 0.00 -4.34 117.00 125.08 2dml n LEU 53 Ca 0.07 -1.36 -0.13 0.00 -1.11 0.00 0.00 56.01 53.48 2dml n LEU 53 Cb 0.34 -0.30 -0.08 0.00 0.53 0.00 0.00 43.42 43.90 2dml n LEU 53 CO 0.33 0.68 0.75 0.74 -1.11 0.00 0.00 177.39 178.77 2dml h THR 54 N 3.35 1.13 0.09 1.96 2.02 -1.62 -2.14 112.91 117.70 2dml h THR 54 Ca 0.00 -0.52 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 2dml h THR 54 Cb 0.75 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 2dml h THR 54 CO 0.00 0.13 -0.04 1.55 0.37 0.00 0.00 175.52 177.53 2dml h PRO 55 N -0.27 -0.11 -0.93 6.66 0.13 -1.86 -0.72 132.00 134.89 2dml h PRO 55 Ca -0.00 0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.30 2dml h PRO 55 Cb 0.25 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 31.31 2dml h PRO 55 CO 0.01 0.33 0.52 0.93 -0.23 0.00 0.00 178.00 179.56 2dml h GLU 56 N -0.61 0.67 -0.01 0.86 3.07 -1.78 -0.30 114.58 116.48 2dml h GLU 56 Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2dml h GLU 56 Cb 0.50 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2dml h GLU 56 CO 0.02 0.44 -0.08 2.35 -1.40 0.00 0.00 179.01 180.34 2dml h TRP 57 N 0.69 0.11 -0.49 4.33 -0.00 -1.40 -1.14 115.95 118.04 2dml h TRP 57 Ca 0.52 -0.05 0.10 0.00 -0.00 0.00 0.00 58.89 59.46 2dml h TRP 57 Cb 0.78 -0.02 -0.10 0.00 -0.00 0.00 0.00 29.16 29.83 2dml h TRP 57 CO -0.05 0.77 -0.16 0.87 -0.00 0.00 0.00 178.44 179.86 2dml h LYS 58 N -0.58 -0.04 -0.47 2.65 1.57 -0.41 -1.30 116.57 117.99 2dml h LYS 58 Ca -0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 2dml h LYS 58 Cb 0.78 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.00 2dml h LYS 58 CO 0.02 -0.03 -0.22 0.87 -0.57 0.00 0.00 179.45 179.52 2dml h LYS 59 N -0.05 -0.11 -0.56 3.15 1.57 -1.17 0.26 116.57 119.67 2dml h LYS 59 Ca 0.24 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 59.12 2dml h LYS 59 Cb 0.41 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2dml h LYS 59 CO -0.53 -0.07 0.38 0.00 -0.57 0.00 0.00 179.45 178.65 2dml h ALA 60 N 1.20 2.06 -0.29 3.86 0.00 -1.28 -1.49 119.26 123.31 2dml h ALA 60 Ca 0.22 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2dml h ALA 60 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dml h ALA 60 CO -0.55 -0.19 -0.21 0.00 0.00 0.00 0.00 179.25 178.30 2dml h ALA 61 N 1.72 0.41 -0.78 0.00 0.00 0.12 0.17 119.26 120.91 2dml h ALA 61 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2dml h ALA 61 Cb 0.55 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2dml h ALA 61 CO -0.06 0.37 0.46 1.15 0.00 0.00 0.00 179.25 181.16 2dml h THR 62 N 0.39 1.22 0.00 0.00 2.02 -0.19 1.90 112.91 118.26 2dml h THR 62 Ca 0.05 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 2dml h THR 62 Cb 0.76 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2dml h THR 62 CO 0.06 0.24 -0.40 0.00 0.37 0.00 0.00 175.52 175.79 2dml h ALA 63 N 1.24 0.05 -0.16 6.16 0.00 -1.37 -3.22 119.26 121.96 2dml h ALA 63 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2dml h ALA 63 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dml h ALA 63 CO -0.05 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2dml n LEU 64 N -4.39 1.25 -0.23 0.00 4.77 0.61 -4.24 117.00 114.76 2dml n LEU 64 Ca -0.10 -0.56 0.03 0.00 -0.03 0.00 0.00 56.01 55.36 2dml n LEU 64 Cb 0.58 -0.11 0.14 0.00 -2.33 0.00 0.00 43.42 41.70 2dml n LEU 64 CO 0.42 0.28 0.85 0.50 -1.33 0.00 0.00 177.39 178.11 2dml h LYS 65 N 1.55 0.13 0.00 3.23 3.64 0.30 1.13 116.57 126.55 2dml h LYS 65 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 2dml h LYS 65 Cb 0.34 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 2dml h LYS 65 CO 0.00 0.09 -1.50 -0.25 -2.27 0.00 0.00 179.45 175.52 2dml n ASP 66 N -5.29 0.48 -0.01 4.20 9.92 -1.26 -4.59 116.55 120.01 2dml n ASP 66 Ca 0.12 0.19 -0.00 0.00 -0.53 0.00 0.00 54.79 54.56 2dml n ASP 66 Cb 0.42 1.07 -0.00 0.00 -0.64 0.00 0.00 41.12 41.97 2dml n ASP 66 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2dml h VAL 67 N 0.00 0.00 -3.21 2.53 2.07 -1.44 -3.47 116.25 112.73 2dml h VAL 67 Ca -0.04 -0.09 -0.64 0.00 0.82 0.00 0.00 66.70 66.75 2dml h VAL 67 Cb 1.10 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 30.53 2dml h VAL 67 CO 0.01 0.00 -0.86 -0.69 0.02 0.00 0.00 177.57 176.05 2dml s VAL 68 N -1.08 1.84 -0.53 2.57 1.01 0.38 -4.74 120.40 119.86 2dml s VAL 68 Ca -0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 60.87 2dml s VAL 68 Cb 0.00 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.67 2dml s VAL 68 CO 0.01 0.51 2.27 -0.54 0.00 0.00 0.00 175.10 177.35 2dml s LYS 69 N 0.95 2.22 -0.54 2.72 -0.14 -0.70 -4.04 119.74 120.21 2dml s LYS 69 Ca -0.05 1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 55.55 2dml s LYS 69 Cb -0.15 -4.54 0.08 0.00 -1.68 0.00 0.00 37.83 31.53 2dml s LYS 69 CO -0.03 -3.17 0.65 0.08 -0.76 0.00 0.00 175.35 172.12 2dml s VAL 70 N 11.47 4.86 0.00 3.17 1.01 -1.26 -0.76 120.40 138.89 2dml s VAL 70 Ca 0.90 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2dml s VAL 70 Cb -0.16 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2dml s VAL 70 CO 0.24 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 175.03 2dml n GLY 71 N 5.21 1.71 3.57 4.51 0.00 -0.42 -2.42 105.19 117.37 2dml n GLY 71 Ca -0.08 -1.98 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.32 -2.33 -0.15 4.61 0.00 -0.63 -4.14 121.76 116.80 2dml s ALA 72 Ca 0.00 2.20 0.02 0.00 0.00 0.00 0.00 51.96 54.18 2dml s ALA 72 Cb 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2dml s ALA 72 CO 0.00 -0.59 -0.20 0.08 0.00 0.00 0.00 175.76 175.05 2dml s VAL 73 N 1.86 2.00 -0.98 0.00 1.01 -1.11 -1.86 120.40 121.32 2dml s VAL 73 Ca -0.07 -0.92 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 2dml s VAL 73 Cb -0.05 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 2dml s VAL 73 CO -0.17 0.53 1.90 0.21 0.00 0.00 0.00 175.10 177.58 2dml s ASN 74 N 1.04 5.26 0.35 3.32 2.47 -1.26 -2.59 114.94 123.54 2dml s ASN 74 Ca -0.02 -0.98 0.17 0.00 0.42 0.00 0.00 52.86 52.45 2dml s ASN 74 Cb -0.14 -2.57 1.21 0.00 -1.45 0.00 0.00 41.25 38.30 2dml s ASN 74 CO -0.07 -2.68 1.62 0.00 -3.72 0.00 0.00 177.10 172.25 2dml h ALA 75 N 10.76 2.04 -0.61 1.71 0.00 -1.39 1.07 119.26 132.85 2dml h ALA 75 Ca 0.14 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 75 Cb 0.99 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2dml h ALA 75 CO 1.24 -0.77 0.36 0.22 0.00 0.00 0.00 179.25 180.30 2dml h ASP 76 N 0.15 0.73 0.00 0.00 3.58 -1.87 0.00 116.42 119.02 2dml h ASP 76 Ca 0.79 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 58.17 2dml h ASP 76 Cb 1.95 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.81 2dml h ASP 76 CO -0.70 0.58 -0.21 0.50 -2.88 0.00 0.00 179.24 176.53 2dml h LYS 77 N 0.82 0.00 -1.73 0.28 3.64 0.26 -3.35 116.57 116.50 2dml h LYS 77 Ca 0.22 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 2dml h LYS 77 Cb -0.02 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 2dml h LYS 77 CO -0.04 0.09 0.10 0.72 -2.27 0.00 0.00 179.45 178.05 2dml n HIS 78 N -4.71 0.39 -0.32 1.91 8.25 0.30 -4.57 115.22 116.47 2dml n HIS 78 Ca -0.04 -1.15 0.31 0.00 -0.26 0.00 0.00 57.72 56.59 2dml n HIS 78 Cb 0.13 -0.57 0.58 0.00 1.12 0.00 0.00 29.99 31.26 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 0.95 0.02 -0.38 -0.41 1.08 -1.13 0.69 115.11 115.92 2dml h GLN 79 Ca 0.07 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.34 2dml h GLN 79 Cb 1.02 -0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.39 2dml h GLN 79 CO 0.18 0.01 0.05 1.03 -0.95 0.00 0.00 178.83 179.16 2dml h SER 80 N 0.02 -0.05 0.44 1.46 0.87 -1.84 0.22 113.55 114.67 2dml h SER 80 Ca 0.84 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 61.46 2dml h SER 80 Cb 2.21 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 64.28 2dml h SER 80 CO -0.76 0.01 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.17 2dml h LEU 81 N 0.16 -0.82 0.03 2.23 3.38 0.02 0.42 115.31 120.73 2dml h LEU 81 Ca 0.19 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.23 2dml h LEU 81 Cb 0.24 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 81 CO -0.27 -0.46 -0.48 1.23 0.09 0.00 0.00 178.44 178.56 2dml h GLY 82 N -0.72 -1.16 0.76 0.83 0.00 -1.39 -1.67 103.07 99.72 2dml h GLY 82 Ca -0.06 0.65 0.11 0.00 0.00 0.00 0.00 47.33 48.04 2dml h GLY 82 CO 0.03 -0.27 0.52 -1.33 0.00 0.00 0.00 176.54 175.49 2dml h GLY 83 N -0.62 1.03 1.95 4.60 0.00 -0.98 0.17 103.07 109.22 2dml h GLY 83 Ca 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2dml h GLY 83 CO -0.30 0.14 0.02 -1.61 0.00 0.00 0.00 176.54 174.79 2dml h GLN 84 N 0.68 0.00 0.00 4.80 4.15 0.80 -2.52 115.11 123.02 2dml h GLN 84 Ca 0.38 0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.53 2dml h GLN 84 Cb 0.54 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.19 2dml h GLN 84 CO -0.15 0.00 -2.02 0.66 -1.93 0.00 0.00 178.83 175.39 2dml n TYR 85 N -2.57 0.00 0.00 3.99 4.02 0.41 -5.02 117.16 117.98 2dml n TYR 85 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 2dml n TYR 85 Cb 0.07 -0.69 0.00 0.00 -0.02 0.00 0.00 39.34 38.69 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 2.59 0.57 3.13 2.72 0.00 -0.19 -5.11 105.19 108.89 2dml n GLY 86 Ca -0.31 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.83 -4.82 118.33 114.59 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 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 2.52 1.30 -3.79 5.55 6.02 -1.26 -4.32 117.38 123.39 2dml n GLN 88 Ca 0.23 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 57.02 2dml n GLN 88 Cb -0.00 -0.87 -0.17 0.00 1.02 0.00 0.00 30.24 30.22 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dml s GLY 89 N -3.20 0.28 0.30 1.08 0.00 -1.26 -5.15 107.32 99.37 2dml s GLY 89 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.85 2dml s GLY 89 CO 0.00 1.00 0.49 -1.36 0.00 0.00 0.00 173.10 173.22 2dml s PHE 90 N 1.63 3.49 0.43 1.90 0.08 -1.26 -4.04 117.98 120.21 2dml s PHE 90 Ca -0.01 0.27 -0.24 0.00 0.12 0.00 0.00 56.93 57.06 2dml s PHE 90 Cb -0.13 -1.82 -0.08 0.00 -0.57 0.00 0.00 43.02 40.43 2dml s PHE 90 CO -0.03 0.23 1.18 -1.25 -0.10 0.00 0.00 175.22 175.24 2dml s PRO 91 N -4.10 3.90 -0.29 0.24 0.04 -1.26 -4.87 135.00 128.65 2dml s PRO 91 Ca 0.38 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.26 2dml s PRO 91 Cb -0.10 -2.55 0.09 0.00 0.04 0.00 0.00 34.50 31.98 2dml s PRO 91 CO 0.33 -0.45 0.04 0.99 0.04 0.00 0.00 177.00 177.96 2dml s THR 92 N -1.47 1.39 -0.09 1.26 2.01 -0.55 -4.97 115.64 113.21 2dml s THR 92 Ca 0.60 -1.54 -0.20 0.00 0.31 0.00 0.00 61.69 60.87 2dml s THR 92 Cb -0.30 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2dml s THR 92 CO 0.37 -0.47 0.54 -0.63 -0.69 0.00 0.00 174.62 173.74 2dml s ILE 93 N 1.39 5.13 -0.03 1.82 1.01 -1.26 -0.10 121.20 129.16 2dml s ILE 93 Ca 0.05 1.10 0.05 0.00 0.00 0.00 0.00 60.65 61.85 2dml s ILE 93 Cb -0.18 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.40 2dml s ILE 93 CO -0.15 0.32 -0.18 -0.54 0.00 0.00 0.00 174.94 174.40 2dml s LYS 94 N 0.56 1.67 -0.15 2.79 -0.14 0.10 -2.74 119.74 121.82 2dml s LYS 94 Ca 0.29 -0.64 -0.07 0.00 -1.36 0.00 0.00 55.97 54.19 2dml s LYS 94 Cb -0.16 -1.52 -0.04 0.00 -1.68 0.00 0.00 37.83 34.43 2dml s LYS 94 CO 0.13 0.32 0.09 0.42 -0.76 0.00 0.00 175.35 175.55 2dml s ILE 95 N -0.19 5.10 -0.15 2.17 1.01 -0.88 -1.42 121.20 126.85 2dml s ILE 95 Ca 0.01 0.07 0.01 0.00 0.00 0.00 0.00 60.65 60.74 2dml s ILE 95 Cb -0.09 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2dml s ILE 95 CO 0.01 0.53 -0.17 -0.36 0.00 0.00 0.00 174.94 174.95 2dml s PHE 96 N -0.27 2.76 0.00 3.97 0.40 0.18 -0.85 117.98 124.17 2dml s PHE 96 Ca 0.10 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.30 2dml s PHE 96 Cb -0.12 -1.87 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2dml s PHE 96 CO 0.01 -0.52 0.00 0.41 0.70 0.00 0.00 175.22 175.82 2dml n GLY 97 N 4.08 -1.05 0.28 4.36 0.00 -1.26 -0.79 105.19 110.80 2dml n GLY 97 Ca -0.19 0.55 -0.08 0.00 0.00 0.00 0.00 46.02 46.30 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml h ALA 98 N 2.00 -0.48 -3.77 4.61 0.00 -1.91 -3.35 119.26 116.35 2dml h ALA 98 Ca 0.00 0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.28 2dml h ALA 98 Cb 0.00 1.10 -0.38 0.00 0.00 0.00 0.00 17.79 18.51 2dml h ALA 98 CO 0.00 -0.70 -0.76 1.21 0.00 0.00 0.00 179.25 179.01 2dml s ASN 99 N -4.37 4.61 0.63 0.00 2.47 -1.26 -4.88 114.94 112.14 2dml s ASN 99 Ca -0.08 -1.68 0.39 0.00 0.42 0.00 0.00 52.86 51.91 2dml s ASN 99 Cb 0.06 -1.59 2.10 0.00 -1.45 0.00 0.00 41.25 40.37 2dml s ASN 99 CO 0.39 -0.27 2.28 0.11 -3.72 0.00 0.00 177.10 175.88 2dml h LYS 100 N 7.73 0.00 0.00 0.43 1.79 -1.95 -0.97 116.57 123.60 2dml h LYS 100 Ca -0.14 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.15 2dml h LYS 100 Cb 1.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 2dml h LYS 100 CO 0.49 0.01 -0.87 -0.91 -1.08 0.00 0.00 179.45 177.09 2dml h ASN 101 N 0.00 0.00 -3.07 0.86 2.35 -1.95 -3.41 115.58 110.36 2dml h ASN 101 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2dml h ASN 101 Cb 0.10 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.07 2dml h ASN 101 CO 0.00 0.87 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.33 2dml s LYS 102 N -2.78 0.78 1.12 0.81 1.02 -0.37 -5.10 119.74 115.22 2dml s LYS 102 Ca 0.02 -1.36 -0.16 0.00 0.02 0.00 0.00 55.97 54.48 2dml s LYS 102 Cb 0.09 -1.81 0.25 0.00 -0.52 0.00 0.00 37.83 35.84 2dml s LYS 102 CO 0.80 -1.10 1.10 -1.25 -0.92 0.00 0.00 175.35 173.98 2dml s PRO 103 N 1.14 -0.52 0.15 -1.68 0.04 -1.22 -4.41 135.00 128.50 2dml s PRO 103 Ca 0.14 0.19 0.04 0.00 0.04 0.00 0.00 61.00 61.41 2dml s PRO 103 Cb -0.21 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 2dml s PRO 103 CO -0.12 -3.30 0.17 -1.21 0.04 0.00 0.00 177.00 172.59 2dml s GLU 104 N -5.20 3.05 -0.35 4.56 0.41 -0.03 -4.90 118.70 116.24 2dml s GLU 104 Ca 0.68 -0.78 -0.29 0.00 -0.41 0.00 0.00 54.97 54.17 2dml s GLU 104 Cb -0.14 -2.74 0.01 0.00 -1.78 0.00 0.00 34.13 29.48 2dml s GLU 104 CO 0.57 0.50 1.18 -0.51 -0.49 0.00 0.00 175.26 176.51 2dml s ASP 105 N -3.08 6.77 -0.38 -0.19 1.11 -1.26 -2.06 116.67 117.57 2dml s ASP 105 Ca 0.32 0.99 -0.28 0.00 0.18 0.00 0.00 52.55 53.76 2dml s ASP 105 Cb -0.10 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 2dml s ASP 105 CO 0.25 -1.04 1.94 -0.47 1.18 0.00 0.00 175.17 177.03 2dml s TYR 106 N 4.11 1.60 -0.47 4.23 6.14 -1.11 -4.85 117.35 127.00 2dml s TYR 106 Ca 0.50 0.75 0.04 0.00 0.64 0.00 0.00 57.07 59.00 2dml s TYR 106 Cb -0.13 -4.03 0.44 0.00 0.42 0.00 0.00 41.96 38.66 2dml s TYR 106 CO 0.22 -2.95 1.46 1.04 0.64 0.00 0.00 175.55 175.95 2dml n GLN 107 N 8.69 3.27 -2.73 4.97 3.00 -1.26 -4.86 117.38 128.46 2dml n GLN 107 Ca 0.25 -3.97 -0.11 0.00 -0.01 0.00 0.00 57.00 53.17 2dml n GLN 107 Cb 0.48 -2.27 -0.02 0.00 0.00 0.00 0.00 30.24 28.43 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dml n GLY 108 N -0.69 3.68 3.74 1.08 0.00 -1.26 -5.10 105.19 106.63 2dml n GLY 108 Ca 0.48 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.10 2.70 -0.14 -0.02 0.00 -1.26 -4.91 107.32 101.59 2dml s GLY 109 Ca 0.03 0.99 -0.03 0.00 0.00 0.00 0.00 44.72 45.72 2dml s GLY 109 CO 0.02 1.86 2.61 0.54 0.00 0.00 0.00 173.10 178.13 2dml n ARG 110 N 2.27 1.70 -4.60 2.90 1.74 -1.26 -3.44 116.66 115.97 2dml n ARG 110 Ca 0.04 -1.02 -0.22 0.00 -0.77 0.00 0.00 57.85 55.87 2dml n ARG 110 Cb 0.44 -1.62 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.57 1.06 0.31 0.55 -4.23 -1.26 -4.84 115.64 106.66 2dml s THR 111 Ca 0.36 -0.54 0.21 0.00 -1.18 0.00 0.00 61.69 60.55 2dml s THR 111 Cb 0.21 -0.91 0.34 0.00 1.34 0.00 0.00 72.50 73.48 2dml s THR 111 CO -0.04 0.31 1.13 0.61 -0.54 0.00 0.00 174.62 176.09 2dml n GLY 112 N 3.01 -0.59 0.28 3.99 0.00 -0.43 0.16 105.19 111.60 2dml n GLY 112 Ca -0.16 0.56 -0.10 0.00 0.00 0.00 0.00 46.02 46.32 2dml n GLY 112 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dml h GLU 113 N 0.00 -0.62 -0.55 1.61 5.08 -1.93 -2.65 114.58 115.53 2dml h GLU 113 Ca 0.63 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 59.14 2dml h GLU 113 Cb 1.95 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 31.24 2dml h GLU 113 CO -0.39 -0.41 -0.06 0.00 -1.00 0.00 0.00 179.01 177.15 2dml h ALA 114 N -1.23 0.45 -0.72 3.43 0.00 -0.51 -0.42 119.26 120.26 2dml h ALA 114 Ca -0.07 0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.13 2dml h ALA 114 Cb 0.49 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2dml h ALA 114 CO 0.11 -0.42 0.35 0.82 0.00 0.00 0.00 179.25 180.11 2dml h ILE 115 N 0.06 0.82 -0.68 0.00 2.04 -1.12 0.23 117.51 118.87 2dml h ILE 115 Ca 0.27 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.96 2dml h ILE 115 Cb 0.43 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 2dml h ILE 115 CO -0.51 0.11 0.45 0.58 0.00 0.00 0.00 178.15 178.77 2dml h VAL 116 N 0.58 1.10 0.10 1.67 2.07 -0.71 0.65 116.25 121.72 2dml h VAL 116 Ca 0.36 -0.28 -0.27 0.00 0.82 0.00 0.00 66.70 67.33 2dml h VAL 116 Cb 0.41 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2dml h VAL 116 CO -0.29 0.15 -1.17 -0.78 0.02 0.00 0.00 177.57 175.50 2dml h ASP 117 N 0.82 0.59 -0.13 0.57 1.82 -0.50 -3.12 116.42 116.47 2dml h ASP 117 Ca 0.27 -0.56 -0.02 0.00 -0.39 0.00 0.00 57.03 56.33 2dml h ASP 117 Cb 0.05 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.87 2dml h ASP 117 CO -0.07 1.40 0.00 0.00 -1.61 0.00 0.00 179.24 178.96 2dml h ALA 118 N 0.54 0.17 -0.79 -0.78 0.00 0.01 -1.80 119.26 116.61 2dml h ALA 118 Ca -0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2dml h ALA 118 Cb 1.86 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 2dml h ALA 118 CO 0.21 -0.14 0.47 0.00 0.00 0.00 0.00 179.25 179.78 2dml h ALA 119 N 0.76 1.08 0.64 0.00 0.00 -1.00 -2.61 119.26 118.13 2dml h ALA 119 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 119 Cb 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2dml h ALA 119 CO 0.01 0.17 -0.31 -0.07 0.00 0.00 0.00 179.25 179.05 2dml h LEU 120 N 0.84 -0.73 -0.98 0.00 3.38 -1.47 0.10 115.31 116.46 2dml h LEU 120 Ca 0.35 -0.02 0.35 0.00 0.09 0.00 0.00 57.88 58.65 2dml h LEU 120 Cb 0.20 0.19 -0.17 0.00 0.09 0.00 0.00 40.66 40.97 2dml h LEU 120 CO -0.19 -0.40 0.38 -1.28 0.09 0.00 0.00 178.44 177.05 2dml h SER 121 N -1.07 0.11 0.04 -0.43 0.87 -1.15 0.37 113.55 112.29 2dml h SER 121 Ca -0.09 0.25 -0.17 0.00 -1.23 0.00 0.00 61.79 60.55 2dml h SER 121 Cb 0.70 0.30 0.02 0.00 -0.44 0.00 0.00 62.40 62.98 2dml h SER 121 CO 0.14 -0.34 -0.68 0.00 -0.53 0.00 0.00 176.83 175.43 2dml h ALA 122 N 1.95 0.03 -0.34 6.23 0.00 -1.35 -3.19 119.26 122.59 2dml h ALA 122 Ca 0.74 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2dml h ALA 122 Cb 1.77 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.54 2dml h ALA 122 CO -0.77 0.37 -0.49 1.25 0.00 0.00 0.00 179.25 179.61 2dml h LEU 123 N -0.17 -1.62 -0.53 0.00 7.12 0.23 0.47 115.31 120.83 2dml h LEU 123 Ca -0.10 0.22 0.09 0.00 0.13 0.00 0.00 57.88 58.22 2dml h LEU 123 Cb 1.42 0.67 -0.07 0.00 -0.53 0.00 0.00 40.66 42.15 2dml h LEU 123 CO 0.13 -0.41 0.13 0.08 -0.13 0.00 0.00 178.44 178.25 2dml h ARG 124 N -0.41 0.27 -0.22 1.25 0.11 -1.39 -2.17 114.38 111.82 2dml h ARG 124 Ca 0.10 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.21 2dml h ARG 124 Cb 0.61 -0.06 -0.05 0.00 1.11 0.00 0.00 29.97 31.58 2dml h ARG 124 CO -0.55 0.18 -0.12 1.03 0.10 0.00 0.00 179.97 180.61 2dml h SER 125 N 0.28 -0.39 -2.36 0.08 0.87 -1.17 -3.48 113.55 107.38 2dml h SER 125 Ca 0.27 0.09 0.27 0.00 -1.23 0.00 0.00 61.79 61.20 2dml h SER 125 Cb 0.36 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.45 2dml h SER 125 CO -0.33 -0.15 -0.42 0.61 -0.53 0.00 0.00 176.83 176.01 2dml n GLY 126 N -1.28 -1.43 3.60 5.77 0.00 0.02 -4.51 105.19 107.37 2dml n GLY 126 Ca -0.01 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.14 3.43 0.09 1.61 0.04 -1.26 -4.76 135.00 132.01 2dml s PRO 127 Ca 0.00 1.33 -0.33 0.00 0.04 0.00 0.00 61.00 62.04 2dml s PRO 127 Cb 0.00 -4.15 -0.15 0.00 0.04 0.00 0.00 34.50 30.25 2dml s PRO 127 CO 0.00 -1.75 1.60 0.77 0.04 0.00 0.00 177.00 177.66 2dml h SER 128 N 12.20 -1.07 -5.89 6.66 0.02 -1.94 -3.47 113.55 120.07 2dml h SER 128 Ca -0.32 0.09 -0.40 0.00 -0.84 0.00 0.00 61.79 60.31 2dml h SER 128 Cb 1.15 0.35 0.12 0.00 0.14 0.00 0.00 62.40 64.16 2dml h SER 128 CO 1.04 -0.56 -0.70 -0.24 -1.14 0.00 0.00 176.83 175.23 2dml n SER 129 N -5.50 -5.66 -0.23 3.07 2.88 -1.26 -5.24 113.62 101.68 2dml n SER 129 Ca -0.11 -0.58 0.03 0.00 -1.33 0.00 0.00 58.87 56.88 2dml n SER 129 Cb 0.40 -4.90 0.02 0.00 -0.75 0.00 0.00 64.21 58.99 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42