#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 4.18 0.10 1.61 0.01 -1.26 -4.92 113.70 113.43 2dml s SER 2 Ca 0.00 -0.04 -0.21 0.00 1.31 0.00 0.00 55.95 57.01 2dml s SER 2 Cb 0.00 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.61 2dml s SER 2 CO 0.00 -3.58 0.62 -0.94 0.41 0.00 0.00 173.24 169.75 2dml s SER 3 N 10.34 7.15 -0.57 2.44 1.04 -1.26 -5.02 113.70 127.83 2dml s SER 3 Ca 0.88 1.36 0.06 0.00 0.48 0.00 0.00 55.95 58.73 2dml s SER 3 Cb -0.12 -2.40 0.33 0.00 0.10 0.00 0.00 66.02 63.94 2dml s SER 3 CO 0.07 0.26 0.92 0.61 0.98 0.00 0.00 173.24 176.08 2dml n GLY 4 N 1.67 5.40 0.29 7.32 0.00 -1.26 -4.90 105.19 113.71 2dml n GLY 4 Ca -0.09 -2.70 0.09 0.00 0.00 0.00 0.00 46.02 43.32 2dml n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dml h SER 5 N 3.07 0.08 -0.07 1.61 0.02 -2.02 -3.41 113.55 112.83 2dml h SER 5 Ca 0.13 0.16 -0.72 0.00 -0.84 0.00 0.00 61.79 60.52 2dml h SER 5 Cb 0.55 0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 2dml h SER 5 CO 0.80 -0.06 1.19 -1.20 -1.14 0.00 0.00 176.83 176.41 2dml n SER 6 N -5.15 0.73 -0.57 3.07 7.64 -1.26 -4.87 113.62 113.21 2dml n SER 6 Ca 0.18 0.67 0.00 0.00 1.01 0.00 0.00 58.87 60.73 2dml n SER 6 Cb 0.56 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 2dml n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 7 N 6.75 5.04 3.89 0.23 0.00 -1.26 -5.16 105.19 114.68 2dml n GLY 7 Ca 0.50 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 2.87 0.00 4.61 0.00 -1.26 -5.01 121.76 120.96 2dml s ALA 8 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2dml s ALA 8 Cb 0.00 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2dml s ALA 8 CO 0.00 -1.29 0.00 1.33 0.00 0.00 0.00 175.76 175.80 2dml n VAL 9 N -3.06 0.00 0.00 0.00 0.24 -1.26 -4.96 118.33 109.29 2dml n VAL 9 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 2dml n VAL 9 Cb 0.59 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 2dml n VAL 9 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dml n SER 10 N -1.23 0.21 -2.49 -1.34 7.64 -1.26 -5.08 113.62 110.07 2dml n SER 10 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2dml n SER 10 Cb 0.17 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.37 2dml n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 11 N 2.90 0.05 0.38 0.23 0.00 -1.26 -4.75 105.19 102.74 2dml n GLY 11 Ca 0.00 0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.45 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 2.33 0.61-10.65 0.99 3.38 -1.98 -3.41 115.31 106.57 2dml h LEU 12 Ca -0.14 0.06 -0.47 0.00 0.09 0.00 0.00 57.88 57.43 2dml h LEU 12 Cb 0.79 -0.05 0.06 0.00 0.09 0.00 0.00 40.66 41.55 2dml h LEU 12 CO 0.05 0.24 0.02 -0.31 0.09 0.00 0.00 178.44 178.54 2dml s TYR 13 N -5.65 1.75 0.21 1.13 1.51 -1.26 -5.07 117.35 109.97 2dml s TYR 13 Ca -0.10 -0.36 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 2dml s TYR 13 Cb 0.23 -2.74 -0.01 0.00 -0.11 0.00 0.00 41.96 39.33 2dml s TYR 13 CO 0.79 -1.41 0.36 -1.12 -1.11 0.00 0.00 175.55 173.06 2dml s SER 14 N -4.66 -0.01 0.20 2.29 0.01 -1.26 -5.05 113.70 105.21 2dml s SER 14 Ca 0.64 -0.98 -0.06 0.00 1.31 0.00 0.00 55.95 56.86 2dml s SER 14 Cb -0.06 0.50 0.14 0.00 0.21 0.00 0.00 66.02 66.81 2dml s SER 14 CO 0.42 -1.01 1.62 0.28 0.41 0.00 0.00 173.24 174.96 2dml h SER 15 N 2.41 0.88 -0.63 2.44 0.02 -2.00 -3.17 113.55 113.51 2dml h SER 15 Ca -0.30 -0.31 0.12 0.00 -0.84 0.00 0.00 61.79 60.46 2dml h SER 15 Cb 1.24 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.42 2dml h SER 15 CO 0.43 1.04 -0.28 -1.28 -1.14 0.00 0.00 176.83 175.60 2dml h SER 16 N 0.76 -0.99 -1.62 3.07 0.87 -1.97 -3.41 113.55 110.26 2dml h SER 16 Ca 0.11 0.22 -0.14 0.00 -1.23 0.00 0.00 61.79 60.75 2dml h SER 16 Cb 0.71 0.53 0.08 0.00 -0.44 0.00 0.00 62.40 63.29 2dml h SER 16 CO 0.05 -0.28 -0.07 0.47 -0.53 0.00 0.00 176.83 176.47 2dml n ASP 17 N -5.45 -2.60 0.06 6.23 8.00 -1.20 -4.91 116.55 116.68 2dml n ASP 17 Ca 0.06 -0.34 0.12 0.00 0.71 0.00 0.00 54.79 55.33 2dml n ASP 17 Cb 0.36 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.07 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2dml n ASP 18 N -2.78 0.70 -4.71 -2.24 9.92 -1.26 -4.89 116.55 111.29 2dml n ASP 18 Ca 0.05 0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 53.97 2dml n ASP 18 Cb 0.24 0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 41.13 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 -3.23 3.43 -0.20 2.53 1.01 -1.26 -4.80 120.40 117.88 2dml s VAL 19 Ca 0.04 1.02 -0.23 0.00 0.00 0.00 0.00 61.98 62.81 2dml s VAL 19 Cb 0.13 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2dml s VAL 19 CO 0.76 0.08 0.76 -0.63 0.00 0.00 0.00 175.10 176.07 2dml s ILE 20 N 1.15 4.92 -0.77 2.22 1.01 -0.98 -4.72 121.20 124.03 2dml s ILE 20 Ca 0.64 1.45 -0.25 0.00 0.00 0.00 0.00 60.65 62.48 2dml s ILE 20 Cb -0.35 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 2dml s ILE 20 CO 0.30 0.03 2.03 -0.70 0.00 0.00 0.00 174.94 176.60 2dml s GLU 21 N 2.27 2.40 0.27 2.79 2.12 -1.26 -1.56 118.70 125.72 2dml s GLU 21 Ca 0.34 0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 2dml s GLU 21 Cb -0.16 -4.78 -0.09 0.00 0.26 0.00 0.00 34.13 29.35 2dml s GLU 21 CO 0.10 -3.34 0.98 -0.51 -0.54 0.00 0.00 175.26 171.95 2dml s LEU 22 N 10.65 4.57 0.07 2.70 1.43 -0.98 -4.94 118.68 132.18 2dml s LEU 22 Ca 0.75 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.84 2dml s LEU 22 Cb -0.10 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 2dml s LEU 22 CO 0.09 0.04 -0.02 0.42 0.23 0.00 0.00 176.35 177.11 2dml s THR 23 N -1.26 0.24 -1.18 5.49 -4.23 -1.26 -4.52 115.64 108.92 2dml s THR 23 Ca 0.44 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 2dml s THR 23 Cb -0.26 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 71.97 2dml s THR 23 CO 0.32 -0.91 0.29 -0.81 -0.54 0.00 0.00 174.62 172.97 2dml n PRO 24 N 0.07 0.49 0.00 3.99 -0.04 -1.26 0.41 135.00 138.66 2dml n PRO 24 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 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 0.12 4.65 0.00 3.54 7.64 -1.26 -4.78 113.62 123.52 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 0.74 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 -1.60 2.71 -0.38 6.43 6.94 -0.85 -4.75 115.26 123.76 2dml n ASN 26 Ca 0.00 -0.13 0.32 0.00 -0.02 0.00 0.00 54.58 54.76 2dml n ASN 26 Cb 0.19 0.79 0.55 0.00 -2.36 0.00 0.00 39.78 38.95 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 -1.06 0.57 0.11 -2.53 -0.00 0.17 0.23 117.46 114.94 2dml n PHE 27 Ca 0.00 0.58 -0.24 0.00 -0.00 0.00 0.00 57.45 57.79 2dml n PHE 27 Cb 0.00 -0.99 -0.15 0.00 -0.00 0.00 0.00 39.48 38.34 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 0.71 0.59 -2.13 -0.73 -1.85 -0.07 115.58 112.10 2dml h ASN 28 Ca 0.71 -0.93 0.00 0.00 1.87 0.00 0.00 56.30 57.95 2dml h ASN 28 Cb 2.28 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 40.64 2dml h ASN 28 CO -0.38 1.69 0.00 0.54 -0.37 0.00 0.00 177.43 178.91 2dml n ARG 29 N -3.76 0.36 -0.09 6.67 1.74 0.64 0.25 116.66 122.47 2dml n ARG 29 Ca -0.19 0.02 -0.18 0.00 -0.77 0.00 0.00 57.85 56.73 2dml n ARG 29 Cb 1.05 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.92 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2dml n GLU 30 N -1.31 0.37 -0.05 5.56 -0.58 0.42 -4.56 120.64 120.49 2dml n GLU 30 Ca 0.13 0.15 -0.05 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.24 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 29.96 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 -3.69 0.80 -0.28 2.62 0.31 -0.06 -4.10 118.33 113.94 2dml n VAL 31 Ca -0.34 0.31 0.26 0.00 -0.01 0.00 0.00 64.34 64.56 2dml n VAL 31 Cb 0.75 -1.96 0.61 0.00 -0.91 0.00 0.00 33.84 32.33 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 0.54 -0.86 2.52 1.08 -1.21 0.62 117.51 119.66 2dml h ILE 32 Ca 0.00 -0.08 -0.45 0.00 -0.39 0.00 0.00 64.86 63.94 2dml h ILE 32 Cb 0.52 0.29 -0.27 0.00 -3.07 0.00 0.00 36.82 34.29 2dml h ILE 32 CO 0.00 0.04 0.57 0.00 -0.69 0.00 0.00 178.15 178.08 2dml n GLN 33 N -4.43 2.09 -3.68 2.37 1.13 0.70 -4.75 117.38 110.80 2dml n GLN 33 Ca 0.23 -2.59 -0.30 0.00 -1.94 0.00 0.00 57.00 52.40 2dml n GLN 33 Cb 0.94 -2.02 -0.14 0.00 0.11 0.00 0.00 30.24 29.13 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 -0.99 3.79 0.55 1.08 0.15 0.22 -4.81 113.70 113.70 2dml s SER 34 Ca 0.49 -1.85 0.31 0.00 0.70 0.00 0.00 55.95 55.61 2dml s SER 34 Cb 0.41 -0.79 1.47 0.00 -1.71 0.00 0.00 66.02 65.40 2dml s SER 34 CO 0.09 -0.38 1.86 -0.78 1.20 0.00 0.00 173.24 175.24 2dml h ASP 35 N 7.75 0.00 -3.26 5.45 3.58 -1.85 -3.42 116.42 124.66 2dml h ASP 35 Ca -0.10 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 56.98 2dml h ASP 35 Cb 0.99 0.00 0.19 0.00 1.72 0.00 0.00 39.33 42.23 2dml h ASP 35 CO 0.45 0.00 0.11 0.61 -2.88 0.00 0.00 179.24 177.52 2dml n GLY 36 N -1.67 -2.78 3.77 -0.78 0.00 -1.26 -4.90 105.19 97.58 2dml n GLY 36 Ca 0.17 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 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 4.49 -0.06 0.99 2.96 -1.26 -4.74 118.68 121.06 2dml s LEU 37 Ca 0.67 1.83 0.01 0.00 -0.22 0.00 0.00 54.13 56.42 2dml s LEU 37 Cb -0.07 -3.74 0.02 0.00 0.50 0.00 0.00 46.19 42.90 2dml s LEU 37 CO 0.52 0.06 -0.08 0.26 -1.32 0.00 0.00 176.35 175.79 2dml s TRP 38 N -1.38 1.07 -0.38 5.38 0.52 -0.50 -1.89 118.94 121.76 2dml s TRP 38 Ca 0.44 -0.36 -0.04 0.00 0.02 0.00 0.00 56.10 56.16 2dml s TRP 38 Cb -0.22 -0.86 0.09 0.00 -1.15 0.00 0.00 33.47 31.33 2dml s TRP 38 CO 0.27 -0.24 0.16 -0.51 0.02 0.00 0.00 176.95 176.65 2dml s LEU 39 N 0.85 4.87 -0.24 2.99 1.43 0.05 0.20 118.68 128.83 2dml s LEU 39 Ca -0.12 -1.70 -0.08 0.00 -1.03 0.00 0.00 54.13 51.20 2dml s LEU 39 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2dml s LEU 39 CO 0.01 -0.47 0.10 -0.69 0.23 0.00 0.00 176.35 175.53 2dml s VAL 40 N 1.24 4.70 -0.25 -1.59 1.01 -0.61 -1.02 120.40 123.88 2dml s VAL 40 Ca 0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2dml s VAL 40 Cb -0.22 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2dml s VAL 40 CO -0.02 0.36 -0.00 -0.70 0.00 0.00 0.00 175.10 174.74 2dml s GLU 41 N 1.26 3.19 -0.68 2.72 2.12 -1.25 -0.37 118.70 125.69 2dml s GLU 41 Ca 0.05 -0.76 -0.24 0.00 0.36 0.00 0.00 54.97 54.38 2dml s GLU 41 Cb -0.14 -3.13 0.05 0.00 0.26 0.00 0.00 34.13 31.16 2dml s GLU 41 CO 0.04 -0.32 1.08 -0.06 -0.54 0.00 0.00 175.26 175.47 2dml s PHE 42 N 1.46 2.54 0.42 5.30 0.40 0.79 -2.68 117.98 126.21 2dml s PHE 42 Ca 0.04 -0.32 0.08 0.00 -0.60 0.00 0.00 56.93 56.12 2dml s PHE 42 Cb -0.16 -4.40 -0.02 0.00 0.51 0.00 0.00 43.02 38.95 2dml s PHE 42 CO -0.01 -1.79 0.36 1.52 0.70 0.00 0.00 175.22 176.00 2dml s TYR 43 N 4.68 2.66 -0.10 0.36 -0.85 -1.08 -1.94 117.35 121.08 2dml s TYR 43 Ca 0.28 -0.51 -0.00 0.00 -0.52 0.00 0.00 57.07 56.31 2dml s TYR 43 Cb -0.13 -2.14 0.02 0.00 0.38 0.00 0.00 41.96 40.09 2dml s TYR 43 CO 0.13 -0.10 -0.07 0.00 -1.52 0.00 0.00 175.55 173.98 2dml s ALA 44 N -2.50 1.22 -2.00 9.51 0.00 -1.26 -0.92 121.76 125.81 2dml s ALA 44 Ca 0.47 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.02 2dml s ALA 44 Cb -0.02 -0.83 0.34 0.00 0.00 0.00 0.00 23.12 22.61 2dml s ALA 44 CO 0.27 -0.33 0.80 -0.35 0.00 0.00 0.00 175.76 176.15 2dml n PRO 45 N 4.78 0.49 -0.00 0.00 -0.04 -1.26 -1.90 135.00 137.07 2dml n PRO 45 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2dml n PRO 45 Cb 0.50 -1.18 -0.01 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 -2.29 0.54 4.27 -1.26 -5.03 117.44 112.99 2dml n TRP 46 Ca 0.04 0.00 -0.26 0.00 -3.89 0.00 0.00 57.50 53.39 2dml n TRP 46 Cb 0.02 -0.01 0.12 0.00 -1.36 0.00 0.00 31.31 30.08 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 -3.12 -0.46 0.33 0.00 0.00 -1.26 -3.82 105.19 96.86 2dml n GLY 48 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.09 1.61 -0.00 -1.96 0.50 115.15 115.39 2dml h HIS 49 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2dml h HIS 49 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2dml h HIS 49 CO 0.00 0.00 -0.62 0.00 -0.00 0.00 0.00 177.93 177.31 2dml h GLN 51 N -0.60 0.00 -0.01 0.00 4.20 -0.14 -1.00 115.11 117.57 2dml h GLN 51 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2dml h GLN 51 Cb 1.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.21 2dml h GLN 51 CO 0.08 0.13 -0.11 2.89 -0.67 0.00 0.00 178.83 181.16 2dml n ARG 52 N -3.67 1.12 -0.22 1.46 -4.01 -0.71 -3.48 116.66 107.14 2dml n ARG 52 Ca -0.02 -0.56 0.10 0.00 -1.04 0.00 0.00 57.85 56.34 2dml n ARG 52 Cb 0.25 -1.49 0.22 0.00 -3.04 0.00 0.00 32.46 28.40 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 -0.46 3.38 0.07 2.89 7.94 -0.38 -4.50 117.00 125.94 2dml n LEU 53 Ca 0.16 -1.68 -0.13 0.00 -1.11 0.00 0.00 56.01 53.25 2dml n LEU 53 Cb 0.31 -0.29 -0.08 0.00 0.53 0.00 0.00 43.42 43.89 2dml n LEU 53 CO 0.21 0.78 0.70 0.74 -1.11 0.00 0.00 177.39 178.71 2dml h THR 54 N 3.80 1.01 -0.34 1.96 2.02 -1.59 -1.58 112.91 118.19 2dml h THR 54 Ca 0.00 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 2dml h THR 54 Cb 0.90 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 2dml h THR 54 CO 0.00 0.13 -0.34 1.55 0.37 0.00 0.00 175.52 177.23 2dml h PRO 55 N -0.40 0.84 -0.55 6.66 0.13 -1.85 -1.12 132.00 135.70 2dml h PRO 55 Ca -0.02 -0.44 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 2dml h PRO 55 Cb 0.33 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.45 2dml h PRO 55 CO 0.03 1.08 0.24 0.93 -0.23 0.00 0.00 178.00 180.05 2dml h GLU 56 N 0.63 0.79 0.04 0.86 5.08 -1.79 -2.09 114.58 118.10 2dml h GLU 56 Ca 0.06 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2dml h GLU 56 Cb 0.93 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.04 2dml h GLU 56 CO 0.08 0.64 -0.55 2.35 -1.00 0.00 0.00 179.01 180.53 2dml h TRP 57 N 0.79 0.48 -0.29 4.33 -0.00 -1.23 -1.33 115.95 118.70 2dml h TRP 57 Ca 0.19 -0.29 0.07 0.00 -0.00 0.00 0.00 58.89 58.86 2dml h TRP 57 Cb 0.13 -0.04 -0.07 0.00 -0.00 0.00 0.00 29.16 29.18 2dml h TRP 57 CO 0.01 1.14 -0.17 0.87 -0.00 0.00 0.00 178.44 180.29 2dml h LYS 58 N -0.31 -0.13 -0.52 2.65 1.57 -1.04 -2.31 116.57 116.48 2dml h LYS 58 Ca -0.08 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2dml h LYS 58 Cb 1.32 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.56 2dml h LYS 58 CO 0.11 -0.09 -0.41 0.87 -0.57 0.00 0.00 179.45 179.36 2dml h LYS 59 N -0.13 -0.24 -0.99 3.15 1.57 -1.49 0.24 116.57 118.67 2dml h LYS 59 Ca 0.15 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.13 2dml h LYS 59 Cb 0.37 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.63 2dml h LYS 59 CO -0.37 -0.16 0.62 0.00 -0.57 0.00 0.00 179.45 178.96 2dml h ALA 60 N 0.62 1.71 -0.56 3.86 0.00 -1.50 0.74 119.26 124.13 2dml h ALA 60 Ca 0.17 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 2dml h ALA 60 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2dml h ALA 60 CO -0.65 -0.06 0.08 0.00 0.00 0.00 0.00 179.25 178.63 2dml h ALA 61 N 1.63 1.09 -0.25 0.00 0.00 -0.11 0.21 119.26 121.82 2dml h ALA 61 Ca 0.56 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2dml h ALA 61 Cb 0.87 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dml h ALA 61 CO -0.34 0.59 0.13 1.15 0.00 0.00 0.00 179.25 180.78 2dml h THR 62 N 0.85 1.13 -0.06 0.00 2.02 0.61 0.89 112.91 118.35 2dml h THR 62 Ca 0.17 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 2dml h THR 62 Cb 0.39 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2dml h THR 62 CO 0.01 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.75 2dml h ALA 63 N 1.01 0.11 -0.19 6.16 0.00 -1.29 -3.13 119.26 121.93 2dml h ALA 63 Ca 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2dml h ALA 63 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2dml h ALA 63 CO -0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.66 2dml n LEU 64 N -4.47 1.41 -0.10 0.00 4.77 0.73 -4.30 117.00 115.03 2dml n LEU 64 Ca -0.08 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.12 2dml n LEU 64 Cb 0.48 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 2dml n LEU 64 CO 0.41 0.29 0.67 0.50 -1.33 0.00 0.00 177.39 177.93 2dml h LYS 65 N 1.16 -0.21 0.00 3.23 3.64 0.88 0.91 116.57 126.17 2dml h LYS 65 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2dml h LYS 65 Cb 0.44 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2dml h LYS 65 CO 0.04 -0.14 -1.20 -0.25 -2.27 0.00 0.00 179.45 175.62 2dml n ASP 66 N -5.40 0.56 -0.03 4.20 9.92 -1.26 -4.50 116.55 120.04 2dml n ASP 66 Ca 0.01 -0.04 -0.01 0.00 -0.53 0.00 0.00 54.79 54.22 2dml n ASP 66 Cb 0.32 0.93 -0.00 0.00 -0.64 0.00 0.00 41.12 41.73 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 -3.16 2.53 2.07 -1.61 -3.47 116.25 112.61 2dml h VAL 67 Ca 0.00 -0.52 -0.55 0.00 0.82 0.00 0.00 66.70 66.44 2dml h VAL 67 Cb 0.85 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.25 2dml h VAL 67 CO 0.00 0.00 -0.81 -0.69 0.02 0.00 0.00 177.57 176.09 2dml s VAL 68 N -1.39 1.21 -0.53 2.57 1.01 0.31 -4.70 120.40 118.88 2dml s VAL 68 Ca -0.02 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.29 2dml s VAL 68 Cb 0.00 -1.19 -0.08 0.00 0.00 0.00 0.00 36.38 35.12 2dml s VAL 68 CO 0.03 0.40 2.42 0.29 0.00 0.00 0.00 175.10 178.24 2dml n LYS 69 N 4.87 0.98 -3.14 2.72 4.76 -0.79 -4.21 118.16 123.36 2dml n LYS 69 Ca -0.14 -0.12 -0.44 0.00 -2.87 0.00 0.00 58.31 54.74 2dml n LYS 69 Cb 0.50 -3.49 -0.06 0.00 -1.84 0.00 0.00 35.03 30.15 2dml n LYS 69 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dml s VAL 70 N 12.63 4.85 0.00 -0.18 1.01 -1.26 -0.77 120.40 136.67 2dml s VAL 70 Ca 0.97 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.26 2dml s VAL 70 Cb -0.17 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.83 2dml s VAL 70 CO 0.24 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 175.01 2dml n GLY 71 N 5.22 1.63 3.59 4.51 0.00 -0.19 -2.32 105.19 117.63 2dml n GLY 71 Ca -0.08 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.21 -1.85 -0.16 4.61 0.00 -0.60 -3.93 121.76 117.62 2dml s ALA 72 Ca 0.00 2.24 0.01 0.00 0.00 0.00 0.00 51.96 54.22 2dml s ALA 72 Cb 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.54 2dml s ALA 72 CO 0.00 -0.72 -0.19 0.08 0.00 0.00 0.00 175.76 174.93 2dml s VAL 73 N 2.43 2.22 -0.96 0.00 1.01 -1.09 -2.32 120.40 121.68 2dml s VAL 73 Ca -0.07 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2dml s VAL 73 Cb -0.10 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2dml s VAL 73 CO -0.18 0.54 1.85 0.21 0.00 0.00 0.00 175.10 177.51 2dml s ASN 74 N 0.97 5.43 0.35 3.32 2.47 -1.26 -2.63 114.94 123.59 2dml s ASN 74 Ca -0.03 -0.96 0.17 0.00 0.42 0.00 0.00 52.86 52.46 2dml s ASN 74 Cb -0.15 -2.56 1.19 0.00 -1.45 0.00 0.00 41.25 38.28 2dml s ASN 74 CO -0.05 -2.51 1.62 0.00 -3.72 0.00 0.00 177.10 172.44 2dml h ALA 75 N 10.77 2.01 -0.49 1.71 0.00 -1.32 1.07 119.26 133.01 2dml h ALA 75 Ca 0.14 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2dml h ALA 75 Cb 1.00 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2dml h ALA 75 CO 1.26 -0.76 0.29 0.22 0.00 0.00 0.00 179.25 180.26 2dml h ASP 76 N 0.15 0.59 0.00 0.00 3.58 -1.88 0.22 116.42 119.09 2dml h ASP 76 Ca 0.78 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 58.16 2dml h ASP 76 Cb 1.93 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 2dml h ASP 76 CO -0.70 0.48 -0.12 0.50 -2.88 0.00 0.00 179.24 176.52 2dml h LYS 77 N 0.65 0.00 -1.76 0.28 3.64 0.04 -3.35 116.57 116.08 2dml h LYS 77 Ca 0.18 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2dml h LYS 77 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 2dml h LYS 77 CO -0.03 0.11 0.15 0.72 -2.27 0.00 0.00 179.45 178.12 2dml n HIS 78 N -4.73 0.56 -0.50 1.91 8.25 0.30 -4.56 115.22 116.46 2dml n HIS 78 Ca -0.03 -1.30 0.41 0.00 -0.26 0.00 0.00 57.72 56.54 2dml n HIS 78 Cb 0.10 -0.64 0.72 0.00 1.12 0.00 0.00 29.99 31.29 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 1.09 0.06 -0.31 -0.41 4.20 -1.08 0.61 115.11 119.26 2dml h GLN 79 Ca 0.11 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2dml h GLN 79 Cb 1.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2dml h GLN 79 CO 0.27 0.04 0.16 1.03 -0.67 0.00 0.00 178.83 179.66 2dml h SER 80 N 0.06 0.40 0.44 1.46 0.87 -1.83 -1.41 113.55 113.53 2dml h SER 80 Ca 0.79 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.23 2dml h SER 80 Cb 2.83 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.69 2dml h SER 80 CO -0.19 0.39 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.19 2dml h LEU 81 N 0.38 -0.59 -0.22 2.23 3.38 -0.15 0.20 115.31 120.52 2dml h LEU 81 Ca 0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2dml h LEU 81 Cb 0.08 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 2dml h LEU 81 CO -0.02 -0.39 -0.54 1.23 0.09 0.00 0.00 178.44 178.82 2dml h GLY 82 N -0.63 -1.04 0.53 0.83 0.00 -1.56 -1.27 103.07 99.94 2dml h GLY 82 Ca -0.06 0.68 0.11 0.00 0.00 0.00 0.00 47.33 48.06 2dml h GLY 82 CO 0.08 -0.17 0.64 -1.33 0.00 0.00 0.00 176.54 175.75 2dml h GLY 83 N -0.52 1.63 1.48 4.60 0.00 -1.29 0.11 103.07 109.08 2dml h GLY 83 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2dml h GLY 83 CO -0.49 0.20 0.19 -1.61 0.00 0.00 0.00 176.54 174.84 2dml h GLN 84 N 1.04 0.00 0.00 4.80 4.15 0.62 -1.53 115.11 124.19 2dml h GLN 84 Ca 0.48 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.68 2dml h GLN 84 Cb 0.42 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 2dml h GLN 84 CO -0.25 0.00 -1.85 0.66 -1.93 0.00 0.00 178.83 175.46 2dml n TYR 85 N -2.16 0.00 0.00 3.99 4.02 0.27 -5.03 117.16 118.26 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 0.22 -0.58 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 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 2.71 0.51 3.67 2.72 0.00 -0.41 -5.10 105.19 109.30 2dml n GLY 86 Ca -0.26 0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.13 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 0.04 0.00 1.61 0.31 -0.85 -4.81 118.33 114.64 2dml n VAL 87 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2dml n VAL 87 Cb 0.00 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 3.45 2.05 -3.71 5.55 10.64 -1.26 -4.22 117.38 129.88 2dml n GLN 88 Ca 0.27 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 55.22 2dml n GLN 88 Cb 0.02 -0.79 -0.18 0.00 -0.86 0.00 0.00 30.24 28.43 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 -2.31 0.35 0.34 2.61 0.00 -1.26 -5.15 107.32 101.91 2dml s GLY 89 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 2dml s GLY 89 CO 0.00 1.30 0.56 -1.36 0.00 0.00 0.00 173.10 173.59 2dml s PHE 90 N 2.07 3.50 0.43 1.90 0.08 -1.26 -4.06 117.98 120.64 2dml s PHE 90 Ca 0.05 0.41 -0.24 0.00 0.12 0.00 0.00 56.93 57.27 2dml s PHE 90 Cb -0.12 -1.94 -0.08 0.00 -0.57 0.00 0.00 43.02 40.30 2dml s PHE 90 CO -0.04 0.11 1.18 -1.25 -0.10 0.00 0.00 175.22 175.12 2dml s PRO 91 N -4.22 3.91 -0.27 0.24 0.04 -1.26 -4.89 135.00 128.55 2dml s PRO 91 Ca 0.41 1.83 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 2dml s PRO 91 Cb -0.10 -2.56 0.08 0.00 0.04 0.00 0.00 34.50 31.97 2dml s PRO 91 CO 0.36 -0.44 0.05 0.99 0.04 0.00 0.00 177.00 177.99 2dml s THR 92 N -1.46 0.99 -0.09 1.26 2.01 -0.82 -4.98 115.64 112.55 2dml s THR 92 Ca 0.60 -1.20 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 2dml s THR 92 Cb -0.30 -1.59 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 2dml s THR 92 CO 0.37 -0.44 0.44 -0.63 -0.69 0.00 0.00 174.62 173.68 2dml s ILE 93 N 1.59 5.15 -0.05 1.82 1.01 -1.26 -0.15 121.20 129.32 2dml s ILE 93 Ca 0.04 0.89 0.04 0.00 0.00 0.00 0.00 60.65 61.62 2dml s ILE 93 Cb -0.18 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.52 2dml s ILE 93 CO -0.16 0.40 -0.17 -0.54 0.00 0.00 0.00 174.94 174.47 2dml s LYS 94 N 0.16 1.80 -0.17 2.79 -0.14 0.50 -2.88 119.74 121.81 2dml s LYS 94 Ca 0.24 -0.60 -0.09 0.00 -1.36 0.00 0.00 55.97 54.17 2dml s LYS 94 Cb -0.15 -1.55 -0.05 0.00 -1.68 0.00 0.00 37.83 34.40 2dml s LYS 94 CO 0.11 0.23 0.13 0.42 -0.76 0.00 0.00 175.35 175.47 2dml s ILE 95 N 0.09 5.40 -0.14 2.17 1.01 -1.09 -1.57 121.20 127.07 2dml s ILE 95 Ca -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.78 2dml s ILE 95 Cb -0.12 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.92 2dml s ILE 95 CO 0.02 0.50 -0.12 -0.36 0.00 0.00 0.00 174.94 174.99 2dml s PHE 96 N -0.13 2.83 0.00 3.97 0.40 0.13 -0.65 117.98 124.53 2dml s PHE 96 Ca 0.10 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 2dml s PHE 96 Cb -0.11 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2dml s PHE 96 CO 0.00 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.06 2dml n GLY 97 N 3.71 -1.20 0.39 4.36 0.00 -1.26 -1.40 105.19 109.78 2dml n GLY 97 Ca -0.18 0.59 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.62 -3.70 4.61 0.00 -1.93 -3.34 119.26 116.27 2dml h ALA 98 Ca 0.00 0.04 -0.65 0.00 0.00 0.00 0.00 54.91 54.30 2dml h ALA 98 Cb 0.00 1.19 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 2dml h ALA 98 CO 0.00 -0.92 -0.76 1.21 0.00 0.00 0.00 179.25 178.79 2dml s ASN 99 N -4.95 4.49 0.66 0.00 2.47 -1.26 -4.96 114.94 111.39 2dml s ASN 99 Ca -0.12 -1.74 0.44 0.00 0.42 0.00 0.00 52.86 51.87 2dml s ASN 99 Cb 0.08 -1.49 2.41 0.00 -1.45 0.00 0.00 41.25 40.81 2dml s ASN 99 CO 0.54 -0.30 2.36 0.11 -3.72 0.00 0.00 177.10 176.09 2dml h LYS 100 N 7.74 0.00 0.00 0.43 1.79 -1.96 0.11 116.57 124.68 2dml h LYS 100 Ca -0.11 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.19 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 0.48 0.00 -1.00 -0.91 -1.08 0.00 0.00 179.45 176.95 2dml h ASN 101 N 0.00 0.00 -3.04 0.86 2.35 -1.95 -3.42 115.58 110.38 2dml h ASN 101 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.16 2dml h ASN 101 Cb 0.01 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 37.99 2dml h ASN 101 CO 0.00 0.69 -0.79 -0.54 -1.65 0.00 0.00 177.43 175.15 2dml s LYS 102 N -2.85 0.84 1.11 0.81 1.02 0.02 -5.08 119.74 115.62 2dml s LYS 102 Ca 0.00 -1.52 -0.16 0.00 0.02 0.00 0.00 55.97 54.31 2dml s LYS 102 Cb 0.08 -1.79 0.24 0.00 -0.52 0.00 0.00 37.83 35.84 2dml s LYS 102 CO 0.79 -1.15 1.10 -1.25 -0.92 0.00 0.00 175.35 173.92 2dml s PRO 103 N 0.91 -0.50 0.39 -1.68 0.04 -1.21 -4.38 135.00 128.57 2dml s PRO 103 Ca 0.16 0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.45 2dml s PRO 103 Cb -0.23 -1.66 -0.00 0.00 0.04 0.00 0.00 34.50 32.66 2dml s PRO 103 CO -0.05 -3.29 0.54 -1.21 0.04 0.00 0.00 177.00 173.04 2dml s GLU 104 N -5.20 3.00 -0.53 4.56 0.41 0.17 -4.89 118.70 116.22 2dml s GLU 104 Ca 0.68 -0.98 -0.21 0.00 -0.41 0.00 0.00 54.97 54.06 2dml s GLU 104 Cb -0.14 -2.75 0.06 0.00 -1.78 0.00 0.00 34.13 29.52 2dml s GLU 104 CO 0.57 -0.12 0.73 0.16 -0.49 0.00 0.00 175.26 176.11 2dml s ASP 105 N -4.24 6.25 -0.53 -0.19 -4.77 -1.26 -2.66 116.67 109.27 2dml s ASP 105 Ca 0.49 -0.81 -0.27 0.00 -3.30 0.00 0.00 52.55 48.65 2dml s ASP 105 Cb -0.10 -2.34 -0.09 0.00 -1.09 0.00 0.00 42.92 39.31 2dml s ASP 105 CO 0.33 -1.03 2.43 0.00 0.70 0.00 0.00 175.17 177.60 2dml n TYR 106 N 6.61 1.36 -1.81 2.11 4.19 -1.14 -4.80 117.16 123.68 2dml n TYR 106 Ca -0.04 0.14 -0.30 0.00 3.31 0.00 0.00 57.90 61.01 2dml n TYR 106 Cb 0.46 -2.61 0.04 0.00 0.49 0.00 0.00 39.34 37.72 2dml n TYR 106 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 2dml n GLN 107 N 8.88 3.20 -4.72 2.98 6.02 -1.26 -4.85 117.38 127.62 2dml n GLN 107 Ca 0.41 -3.84 -0.32 0.00 -0.01 0.00 0.00 57.00 53.24 2dml n GLN 107 Cb 0.45 -2.28 -0.07 0.00 1.02 0.00 0.00 30.24 29.36 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 -2.76 3.00 0.29 1.08 0.00 -1.26 -5.10 107.32 102.57 2dml s GLY 108 Ca 0.56 -0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.60 2dml s GLY 108 CO -0.04 -2.13 1.54 0.61 0.00 0.00 0.00 173.10 173.09 2dml n GLY 109 N -1.22 1.20 2.21 0.20 0.00 -1.26 -4.88 105.19 101.44 2dml n GLY 109 Ca -0.18 0.45 -0.23 0.00 0.00 0.00 0.00 46.02 46.07 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 1.95 2.15 -5.07 1.61 1.74 -1.26 -3.50 116.66 114.28 2dml n ARG 110 Ca 0.08 -2.07 -0.28 0.00 -0.77 0.00 0.00 57.85 54.81 2dml n ARG 110 Cb 0.36 -1.91 -0.16 0.00 -1.02 0.00 0.00 32.46 29.73 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 -2.49 1.71 0.32 0.55 -4.23 -1.26 -4.83 115.64 105.41 2dml s THR 111 Ca 0.47 -0.93 0.21 0.00 -1.18 0.00 0.00 61.69 60.26 2dml s THR 111 Cb 0.33 -1.42 0.34 0.00 1.34 0.00 0.00 72.50 73.08 2dml s THR 111 CO -0.11 0.48 1.21 0.61 -0.54 0.00 0.00 174.62 176.28 2dml n GLY 112 N 2.56 -0.62 0.16 3.99 0.00 -0.50 0.19 105.19 110.98 2dml n GLY 112 Ca -0.15 0.61 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.29 -0.61 1.61 5.08 -1.94 -3.05 114.58 115.38 2dml h GLU 113 Ca 0.67 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 59.16 2dml h GLU 113 Cb 1.99 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 31.22 2dml h GLU 113 CO -0.47 0.01 0.15 0.00 -1.00 0.00 0.00 179.01 177.71 2dml h ALA 114 N -0.70 0.74 -0.94 3.43 0.00 -0.50 -0.55 119.26 120.76 2dml h ALA 114 Ca -0.03 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2dml h ALA 114 Cb 0.43 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.30 2dml h ALA 114 CO 0.05 -0.29 0.57 0.82 0.00 0.00 0.00 179.25 180.40 2dml h ILE 115 N 0.29 0.89 -0.72 0.00 2.04 -0.76 0.48 117.51 119.72 2dml h ILE 115 Ca 0.32 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.89 2dml h ILE 115 Cb 0.47 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 2dml h ILE 115 CO -0.39 0.16 0.47 0.58 0.00 0.00 0.00 178.15 178.97 2dml h VAL 116 N 0.89 1.15 -0.12 1.67 2.07 -0.98 0.40 116.25 121.34 2dml h VAL 116 Ca 0.47 -0.32 -0.15 0.00 0.82 0.00 0.00 66.70 67.51 2dml h VAL 116 Cb 0.49 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2dml h VAL 116 CO -0.28 0.17 -0.58 -0.78 0.02 0.00 0.00 177.57 176.12 2dml h ASP 117 N 0.94 0.43 -0.08 0.57 3.58 -0.92 -2.84 116.42 118.09 2dml h ASP 117 Ca 0.27 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2dml h ASP 117 Cb -0.06 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 2dml h ASP 117 CO -0.08 0.92 -0.02 0.00 -2.88 0.00 0.00 179.24 177.18 2dml h ALA 118 N 1.09 0.12 -0.68 -0.78 0.00 -0.38 -1.33 119.26 117.29 2dml h ALA 118 Ca -0.00 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2dml h ALA 118 Cb 1.10 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2dml h ALA 118 CO 0.10 -0.17 0.40 0.00 0.00 0.00 0.00 179.25 179.58 2dml h ALA 119 N 0.68 0.91 0.38 0.00 0.00 -0.96 -2.56 119.26 117.70 2dml h ALA 119 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 119 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dml h ALA 119 CO 0.01 0.11 -0.18 -0.07 0.00 0.00 0.00 179.25 179.11 2dml h LEU 120 N 0.75 -0.43 -0.96 0.00 3.38 -1.47 -1.22 115.31 115.35 2dml h LEU 120 Ca 0.29 -0.11 0.31 0.00 0.09 0.00 0.00 57.88 58.47 2dml h LEU 120 Cb 0.13 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 40.83 2dml h LEU 120 CO -0.16 -0.13 0.36 -1.28 0.09 0.00 0.00 178.44 177.33 2dml h SER 121 N -0.76 0.13 -0.06 -0.43 0.87 -1.06 0.19 113.55 112.44 2dml h SER 121 Ca -0.05 0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 2dml h SER 121 Cb 0.52 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2dml h SER 121 CO 0.09 -0.26 -0.21 0.00 -0.53 0.00 0.00 176.83 175.92 2dml h ALA 122 N 1.89 0.10 -0.80 6.23 0.00 -1.35 -3.33 119.26 122.01 2dml h ALA 122 Ca 0.68 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 55.27 2dml h ALA 122 Cb 1.57 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.25 2dml h ALA 122 CO -0.72 0.07 -0.49 1.25 0.00 0.00 0.00 179.25 179.36 2dml h LEU 123 N -0.28 -1.80 -0.94 0.00 7.12 0.63 0.06 115.31 120.09 2dml h LEU 123 Ca -0.01 0.27 0.11 0.00 0.13 0.00 0.00 57.88 58.38 2dml h LEU 123 Cb 0.84 0.79 -0.13 0.00 -0.53 0.00 0.00 40.66 41.64 2dml h LEU 123 CO 0.04 -0.21 -0.49 0.54 -0.13 0.00 0.00 178.44 178.20 2dml n ARG 124 N -4.90 -0.35 0.06 1.25 1.74 -0.97 -1.87 116.66 111.62 2dml n ARG 124 Ca 0.01 1.43 -0.04 0.00 -0.77 0.00 0.00 57.85 58.49 2dml n ARG 124 Cb 0.22 -2.11 -0.02 0.00 -1.02 0.00 0.00 32.46 29.53 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 -0.27 -0.85 0.55 0.87 -1.16 -3.40 113.55 109.29 2dml h SER 125 Ca 0.21 0.02 -0.69 0.00 -1.23 0.00 0.00 61.79 60.10 2dml h SER 125 Cb 0.45 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 2dml h SER 125 CO -0.90 -0.13 1.39 0.61 -0.53 0.00 0.00 176.83 177.26 2dml n GLY 126 N -1.11 0.36 3.77 5.77 0.00 -0.48 -4.89 105.19 108.61 2dml n GLY 126 Ca -0.02 0.98 -0.39 0.00 0.00 0.00 0.00 46.02 46.58 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 6.11 4.14 -0.18 1.61 0.04 -1.26 -4.85 135.00 140.60 2dml s PRO 127 Ca 1.12 1.93 -0.31 0.00 0.04 0.00 0.00 61.00 63.78 2dml s PRO 127 Cb -1.01 -2.79 0.14 0.00 0.04 0.00 0.00 34.50 30.89 2dml s PRO 127 CO 0.53 -0.27 1.12 -1.54 0.04 0.00 0.00 177.00 176.88 2dml s SER 128 N -0.97 -0.24 -1.06 6.66 1.04 -1.26 -4.96 113.70 112.90 2dml s SER 128 Ca 0.55 0.19 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 2dml s SER 128 Cb -0.33 0.21 0.21 0.00 0.10 0.00 0.00 66.02 66.21 2dml s SER 128 CO 0.42 -0.27 1.16 -0.55 0.98 0.00 0.00 173.24 174.98 2dml s SER 129 N -1.43 7.02 0.00 7.02 0.15 -1.26 -5.15 113.70 120.05 2dml s SER 129 Ca 0.04 -2.97 0.00 0.00 0.70 0.00 0.00 55.95 53.71 2dml s SER 129 Cb -0.01 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2dml s SER 129 CO -0.03 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.40