#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 6.42 -0.38 1.61 0.15 -1.26 -5.03 113.70 115.22 2dml s SER 2 Ca 0.00 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.62 2dml s SER 2 Cb 0.00 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2dml s SER 2 CO 0.00 -0.67 0.20 -0.55 1.20 0.00 0.00 173.24 173.42 2dml s SER 3 N 1.87 5.67 0.43 5.45 0.15 -1.26 -5.08 113.70 120.93 2dml s SER 3 Ca 0.25 -1.10 0.00 0.00 0.70 0.00 0.00 55.95 55.81 2dml s SER 3 Cb -0.14 -2.00 0.04 0.00 -1.71 0.00 0.00 66.02 62.21 2dml s SER 3 CO 0.17 -0.41 0.26 0.61 1.20 0.00 0.00 173.24 175.07 2dml n GLY 4 N 4.96 0.92 4.38 9.45 0.00 -1.26 -4.50 105.19 119.15 2dml n GLY 4 Ca -0.12 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.95 -1.49 -2.27 1.61 7.64 -1.26 -4.83 113.62 110.07 2dml n SER 5 Ca 0.04 -1.18 -0.27 0.00 1.01 0.00 0.00 58.87 58.47 2dml n SER 5 Cb 0.16 -1.98 0.02 0.00 -1.01 0.00 0.00 64.21 61.40 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 -2.63 5.35 0.00 6.43 3.41 -1.26 -4.76 113.62 120.16 2dml n SER 6 Ca -0.01 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.84 2dml n SER 6 Cb 0.53 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 -0.64 1.97 3.11 5.00 0.00 -1.26 -5.15 105.19 108.21 2dml n GLY 7 Ca 0.45 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 2dml n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 8 N 0.00 -4.81 -4.40 4.61 0.00 -1.26 -5.02 120.51 109.64 2dml n ALA 8 Ca 0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 53.44 52.44 2dml n ALA 8 Cb 0.00 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.10 2dml n ALA 8 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2dml n VAL 9 N -2.89 0.00 -0.20 0.00 3.14 -1.26 -5.03 118.33 112.09 2dml n VAL 9 Ca 0.00 -2.30 -0.02 0.00 -2.96 0.00 0.00 64.34 59.06 2dml n VAL 9 Cb 0.57 0.88 0.00 0.00 -1.06 0.00 0.00 33.84 34.23 2dml n VAL 9 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2dml n SER 10 N -1.58 -0.38 0.00 6.55 7.64 -1.26 -4.85 113.62 119.75 2dml n SER 10 Ca -0.03 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.74 2dml n SER 10 Cb 0.59 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 -1.21 -0.47 0.13 0.23 0.00 -1.26 -5.01 105.19 97.60 2dml n GLY 11 Ca 0.04 0.56 -0.21 0.00 0.00 0.00 0.00 46.02 46.40 2dml n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dml n LEU 12 N 0.00 2.67 0.00 0.99 4.77 -1.26 -5.01 117.00 119.16 2dml n LEU 12 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.75 2dml n LEU 12 Cb 0.00 -0.88 0.14 0.00 -2.33 0.00 0.00 43.42 40.36 2dml n LEU 12 CO 0.00 0.83 0.64 -1.22 -1.33 0.00 0.00 177.39 176.31 2dml n TYR 13 N -3.55 -3.39 -3.92 -1.77 4.02 -1.26 -5.11 117.16 102.18 2dml n TYR 13 Ca -0.48 -1.41 0.01 0.00 -0.01 0.00 0.00 57.90 56.00 2dml n TYR 13 Cb 0.96 -0.79 0.01 0.00 -0.02 0.00 0.00 39.34 39.50 2dml n TYR 13 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2dml n SER 14 N -3.27 -1.09 -0.08 7.72 7.64 -1.26 -4.85 113.62 118.43 2dml n SER 14 Ca 0.15 -1.36 -0.09 0.00 1.01 0.00 0.00 58.87 58.59 2dml n SER 14 Cb 0.54 1.72 -0.01 0.00 -1.01 0.00 0.00 64.21 65.45 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 1.58 0.29 -0.99 6.43 0.87 -2.00 -2.88 113.55 116.86 2dml h SER 15 Ca -0.18 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 60.55 2dml h SER 15 Cb 0.94 -0.06 -0.17 0.00 -0.44 0.00 0.00 62.40 62.67 2dml h SER 15 CO 0.26 0.21 -0.33 -1.20 -0.53 0.00 0.00 176.83 175.25 2dml n SER 16 N -4.91 -0.52 -4.76 6.23 7.64 -1.26 -4.42 113.62 111.60 2dml n SER 16 Ca -0.01 1.71 -0.32 0.00 1.01 0.00 0.00 58.87 61.25 2dml n SER 16 Cb 0.04 -0.44 0.07 0.00 -1.01 0.00 0.00 64.21 62.87 2dml n SER 16 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2dml s ASP 17 N -5.31 4.80 0.32 6.43 -4.77 -1.09 -4.92 116.67 112.13 2dml s ASP 17 Ca -0.14 1.97 0.26 0.00 -3.30 0.00 0.00 52.55 51.34 2dml s ASP 17 Cb 0.23 -2.54 1.02 0.00 -1.09 0.00 0.00 42.92 40.53 2dml s ASP 17 CO 0.73 -1.84 1.78 0.44 0.70 0.00 0.00 175.17 176.98 2dml h ASP 18 N -0.41 0.00 -3.12 2.11 5.19 -1.84 -3.45 116.42 114.90 2dml h ASP 18 Ca -0.46 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.43 2dml h ASP 18 Cb 1.24 0.00 0.06 0.00 0.18 0.00 0.00 39.33 40.81 2dml h ASP 18 CO 0.53 0.00 0.84 -0.69 -3.12 0.00 0.00 179.24 176.80 2dml s VAL 19 N -3.36 2.50 -0.23 -1.35 1.01 -1.26 -4.80 120.40 112.92 2dml s VAL 19 Ca 0.05 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.22 2dml s VAL 19 Cb 0.09 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 2dml s VAL 19 CO 0.46 0.05 0.62 -0.63 0.00 0.00 0.00 175.10 175.60 2dml s ILE 20 N 0.50 5.01 -0.69 2.22 1.01 -1.04 -4.75 121.20 123.47 2dml s ILE 20 Ca 0.65 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 62.17 2dml s ILE 20 Cb -0.44 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 2dml s ILE 20 CO 0.39 0.07 2.05 -0.70 0.00 0.00 0.00 174.94 176.75 2dml s GLU 21 N 2.20 2.39 0.07 2.79 2.56 -1.26 -2.09 118.70 125.35 2dml s GLU 21 Ca 0.27 0.49 -0.28 0.00 0.00 0.00 0.00 54.97 55.45 2dml s GLU 21 Cb -0.16 -4.66 -0.05 0.00 2.00 0.00 0.00 34.13 31.26 2dml s GLU 21 CO 0.09 -3.21 0.89 -0.51 -0.56 0.00 0.00 175.26 171.96 2dml s LEU 22 N 10.59 4.46 0.16 2.70 1.43 -1.08 -4.95 118.68 132.00 2dml s LEU 22 Ca 0.76 1.64 0.04 0.00 -1.03 0.00 0.00 54.13 55.55 2dml s LEU 22 Cb -0.12 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 2dml s LEU 22 CO 0.14 -0.06 -0.08 0.42 0.23 0.00 0.00 176.35 177.01 2dml s THR 23 N 0.09 1.11 -1.41 5.49 -4.23 -1.26 -4.46 115.64 110.97 2dml s THR 23 Ca 0.44 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2dml s THR 23 Cb -0.22 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 71.68 2dml s THR 23 CO 0.27 -0.67 0.34 -0.81 -0.54 0.00 0.00 174.62 173.21 2dml n PRO 24 N -0.23 0.49 -0.00 3.99 -0.04 -1.26 0.53 135.00 138.47 2dml n PRO 24 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 24 Cb 0.61 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.05 4.56 0.00 3.54 7.64 -1.26 -4.76 113.62 123.29 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 0.07 0.89 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 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 -1.75 1.84 -0.52 6.43 6.94 -0.85 -4.74 115.26 122.62 2dml n ASN 26 Ca -0.01 -0.18 0.42 0.00 -0.02 0.00 0.00 54.58 54.78 2dml n ASN 26 Cb 0.23 0.74 0.64 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 -0.92 0.00 0.03 -2.53 -0.00 0.19 0.21 117.46 114.44 2dml n PHE 27 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 2dml n PHE 27 Cb 0.00 -0.39 -0.14 0.00 -0.00 0.00 0.00 39.48 38.95 2dml n PHE 27 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.76 175.79 2dml h ASN 28 N 0.00 0.49 0.53 -2.13 -1.24 -1.85 -1.93 115.58 109.45 2dml h ASN 28 Ca 0.74 -0.91 0.00 0.00 0.71 0.00 0.00 56.30 56.84 2dml h ASN 28 Cb 3.23 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 42.12 2dml h ASN 28 CO -0.01 1.76 -0.01 0.54 -1.29 0.00 0.00 177.43 178.42 2dml n ARG 29 N -3.67 0.48 -0.09 6.67 3.00 0.57 0.24 116.66 123.85 2dml n ARG 29 Ca -0.27 -0.02 -0.19 0.00 -0.01 0.00 0.00 57.85 57.36 2dml n ARG 29 Cb 1.01 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.91 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 -1.25 0.39 -0.04 5.56 -0.58 0.30 -4.58 120.64 120.45 2dml n GLU 30 Ca 0.15 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 57.01 2dml n GLU 30 Cb 0.24 -1.18 -0.01 0.00 -0.57 0.00 0.00 31.44 29.92 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 -3.72 0.73 -0.32 2.62 0.31 -0.74 -4.20 118.33 113.01 2dml n VAL 31 Ca -0.35 0.32 0.26 0.00 -0.01 0.00 0.00 64.34 64.55 2dml n VAL 31 Cb 0.76 -1.89 0.58 0.00 -0.91 0.00 0.00 33.84 32.38 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 0.48 -0.74 2.52 1.08 -1.26 0.76 117.51 119.88 2dml h ILE 32 Ca 0.00 -0.10 -0.39 0.00 -0.39 0.00 0.00 64.86 63.99 2dml h ILE 32 Cb 0.47 0.18 -0.23 0.00 -3.07 0.00 0.00 36.82 34.17 2dml h ILE 32 CO 0.00 0.05 0.49 0.00 -0.69 0.00 0.00 178.15 178.01 2dml n GLN 33 N -4.52 1.94 -3.67 2.37 1.13 0.65 -4.68 117.38 110.60 2dml n GLN 33 Ca 0.26 -2.24 -0.29 0.00 -1.94 0.00 0.00 57.00 52.79 2dml n GLN 33 Cb 0.98 -1.88 -0.12 0.00 0.11 0.00 0.00 30.24 29.33 2dml n GLN 33 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2dml s SER 34 N -0.71 3.40 0.57 1.08 0.15 0.26 -4.82 113.70 113.64 2dml s SER 34 Ca 0.42 -2.85 0.35 0.00 0.70 0.00 0.00 55.95 54.58 2dml s SER 34 Cb 0.36 -0.98 1.44 0.00 -1.71 0.00 0.00 66.02 65.12 2dml s SER 34 CO 0.08 -0.23 1.68 0.44 1.20 0.00 0.00 173.24 176.42 2dml h ASP 35 N 6.37 0.00 0.00 5.45 3.32 -1.83 -3.39 116.42 126.34 2dml h ASP 35 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2dml h ASP 35 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 2dml h ASP 35 CO 0.48 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.61 2dml n GLY 36 N -1.72 -1.78 3.67 2.75 0.00 -1.26 -4.98 105.19 101.86 2dml n GLY 36 Ca 0.24 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 2dml n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dml s LEU 37 N 0.00 3.48 -0.02 0.99 2.96 -1.26 -4.66 118.68 120.17 2dml s LEU 37 Ca 0.00 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2dml s LEU 37 Cb 0.00 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.80 2dml s LEU 37 CO 0.00 0.33 -0.05 0.26 -1.32 0.00 0.00 176.35 175.56 2dml s TRP 38 N -0.97 0.64 -0.36 5.38 0.52 -0.89 -2.05 118.94 121.20 2dml s TRP 38 Ca 0.16 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.15 2dml s TRP 38 Cb -0.11 -0.50 0.10 0.00 -1.15 0.00 0.00 33.47 31.80 2dml s TRP 38 CO 0.06 -0.09 0.11 -0.51 0.02 0.00 0.00 176.95 176.53 2dml s LEU 39 N 0.37 4.89 -0.20 2.99 1.43 0.32 -0.29 118.68 128.19 2dml s LEU 39 Ca -0.05 -2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 50.92 2dml s LEU 39 Cb -0.08 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 2dml s LEU 39 CO -0.00 -0.44 0.12 -0.69 0.23 0.00 0.00 176.35 175.57 2dml s VAL 40 N 1.02 5.29 -0.19 -1.59 1.01 -0.72 -0.79 120.40 124.43 2dml s VAL 40 Ca 0.08 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2dml s VAL 40 Cb -0.21 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.79 2dml s VAL 40 CO -0.06 0.44 -0.16 -0.70 0.00 0.00 0.00 175.10 174.62 2dml s GLU 41 N 0.41 2.57 -0.67 2.72 2.12 -1.25 0.16 118.70 124.75 2dml s GLU 41 Ca 0.07 -0.85 -0.25 0.00 0.36 0.00 0.00 54.97 54.31 2dml s GLU 41 Cb -0.11 -2.49 0.05 0.00 0.26 0.00 0.00 34.13 31.84 2dml s GLU 41 CO -0.01 -0.30 1.08 -0.06 -0.54 0.00 0.00 175.26 175.42 2dml s PHE 42 N 1.32 2.55 0.47 5.30 0.40 0.78 -2.54 117.98 126.28 2dml s PHE 42 Ca 0.02 -0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.15 2dml s PHE 42 Cb -0.14 -4.39 0.05 0.00 0.51 0.00 0.00 43.02 39.05 2dml s PHE 42 CO -0.11 -1.75 0.45 2.48 0.70 0.00 0.00 175.22 177.00 2dml n TYR 43 N 8.27 -1.28 -3.67 0.36 0.18 -1.08 -1.77 117.16 118.18 2dml n TYR 43 Ca -0.00 -1.90 -0.20 0.00 1.88 0.00 0.00 57.90 57.68 2dml n TYR 43 Cb 0.47 -0.41 -0.18 0.00 -0.38 0.00 0.00 39.34 38.85 2dml n TYR 43 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dml s ALA 44 N -2.64 0.20 -2.00 -3.48 0.00 -1.26 -0.98 121.76 111.60 2dml s ALA 44 Ca 0.34 0.22 0.08 0.00 0.00 0.00 0.00 51.96 52.61 2dml s ALA 44 Cb -0.03 -0.62 0.50 0.00 0.00 0.00 0.00 23.12 22.97 2dml s ALA 44 CO 0.22 -0.48 0.94 -0.35 0.00 0.00 0.00 175.76 176.09 2dml n PRO 45 N 5.27 0.49 -0.00 0.00 -0.04 -1.26 -2.10 135.00 137.35 2dml n PRO 45 Ca -0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.44 2dml n PRO 45 Cb 0.50 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.82 0.54 4.27 -1.26 -5.02 117.44 113.38 2dml n TRP 46 Ca 0.06 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.37 2dml n TRP 46 Cb 0.03 -0.12 0.20 0.00 -1.36 0.00 0.00 31.31 30.06 2dml n TRP 46 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dml n GLY 48 N -3.41 -0.38 0.42 0.00 0.00 -1.26 -3.96 105.19 96.59 2dml n GLY 48 Ca 0.15 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.03 0.00 0.07 1.61 -0.00 -1.96 0.43 115.15 115.27 2dml h HIS 49 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2dml h HIS 49 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2dml h HIS 49 CO -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 177.93 177.52 2dml h GLN 51 N -0.70 0.00 -0.01 0.00 4.20 -0.29 0.31 115.11 118.63 2dml h GLN 51 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2dml h GLN 51 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2dml h GLN 51 CO 0.07 0.00 -0.16 2.89 -0.67 0.00 0.00 178.83 180.96 2dml n ARG 52 N -4.22 0.73 -0.15 1.46 1.85 -0.86 -3.42 116.66 112.05 2dml n ARG 52 Ca 0.01 -0.33 0.11 0.00 -1.00 0.00 0.00 57.85 56.65 2dml n ARG 52 Cb 0.28 -1.49 0.25 0.00 -1.05 0.00 0.00 32.46 30.45 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2dml n LEU 53 N -0.85 2.96 0.04 2.89 7.94 0.11 -4.36 117.00 125.73 2dml n LEU 53 Ca 0.13 -1.26 -0.13 0.00 -1.11 0.00 0.00 56.01 53.65 2dml n LEU 53 Cb 0.30 -0.20 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 2dml n LEU 53 CO 0.25 0.63 0.66 0.74 -1.11 0.00 0.00 177.39 178.56 2dml h THR 54 N 3.88 1.15 -0.30 1.96 2.02 -1.57 -0.67 112.91 119.38 2dml h THR 54 Ca 0.00 -0.79 -0.15 0.00 0.77 0.00 0.00 66.41 66.25 2dml h THR 54 Cb 0.85 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2dml h THR 54 CO 0.00 0.19 -0.40 1.55 0.37 0.00 0.00 175.52 177.23 2dml h PRO 55 N -0.45 0.74 -0.21 6.66 0.13 -1.84 -0.98 132.00 136.05 2dml h PRO 55 Ca -0.01 -0.39 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2dml h PRO 55 Cb 0.39 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 2dml h PRO 55 CO 0.02 1.01 -0.09 0.93 -0.23 0.00 0.00 178.00 179.64 2dml h GLU 56 N 0.60 0.42 -0.40 0.86 5.08 -1.76 -2.24 114.58 117.15 2dml h GLU 56 Ca 0.05 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2dml h GLU 56 Cb 0.95 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2dml h GLU 56 CO 0.09 0.70 -0.16 2.35 -1.00 0.00 0.00 179.01 180.99 2dml h TRP 57 N 0.13 0.93 0.10 4.33 -0.00 -1.13 -1.23 115.95 119.07 2dml h TRP 57 Ca 0.05 -0.22 0.01 0.00 -0.00 0.00 0.00 58.89 58.73 2dml h TRP 57 Cb 0.56 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.48 2dml h TRP 57 CO 0.06 0.96 -0.17 0.87 -0.00 0.00 0.00 178.44 180.17 2dml h LYS 58 N 0.62 -0.32 -0.87 2.65 1.57 -1.17 -2.43 116.57 116.62 2dml h LYS 58 Ca 0.09 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 2dml h LYS 58 Cb 0.70 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.94 2dml h LYS 58 CO 0.05 -0.21 -0.37 0.87 -0.57 0.00 0.00 179.45 179.22 2dml h LYS 59 N -0.33 -0.05 -0.88 3.15 1.57 -1.41 0.71 116.57 119.33 2dml h LYS 59 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2dml h LYS 59 Cb 0.35 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 2dml h LYS 59 CO -0.09 -0.03 0.58 0.00 -0.57 0.00 0.00 179.45 179.33 2dml h ALA 60 N 1.27 1.50 -0.29 3.86 0.00 -1.52 -1.32 119.26 122.76 2dml h ALA 60 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2dml h ALA 60 Cb 0.58 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2dml h ALA 60 CO -0.89 0.39 -0.14 0.00 0.00 0.00 0.00 179.25 178.61 2dml h ALA 61 N 1.51 1.22 -0.35 0.00 0.00 0.77 0.27 119.26 122.68 2dml h ALA 61 Ca 0.37 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 61 Cb 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dml h ALA 61 CO -0.12 0.51 -0.07 1.15 0.00 0.00 0.00 179.25 180.71 2dml h THR 62 N 0.46 1.27 0.01 0.00 2.02 0.31 0.51 112.91 117.49 2dml h THR 62 Ca 0.08 -1.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 2dml h THR 62 Cb 0.52 1.29 0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2dml h THR 62 CO 0.03 0.37 -0.47 0.00 0.37 0.00 0.00 175.52 175.81 2dml h ALA 63 N 0.82 0.05 -0.24 6.16 0.00 -1.26 -3.21 119.26 121.59 2dml h ALA 63 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2dml h ALA 63 Cb 0.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dml h ALA 63 CO 0.03 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.81 2dml n LEU 64 N -4.32 1.28 -0.22 0.00 4.77 0.92 -4.24 117.00 115.19 2dml n LEU 64 Ca -0.10 -0.64 0.03 0.00 -0.03 0.00 0.00 56.01 55.27 2dml n LEU 64 Cb 0.62 -0.16 0.14 0.00 -2.33 0.00 0.00 43.42 41.69 2dml n LEU 64 CO 0.44 0.32 0.92 0.50 -1.33 0.00 0.00 177.39 178.24 2dml h LYS 65 N 1.40 0.26 0.00 3.23 3.64 0.04 1.19 116.57 126.33 2dml h LYS 65 Ca 0.00 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2dml h LYS 65 Cb 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2dml h LYS 65 CO 0.00 0.17 -1.50 -0.25 -2.27 0.00 0.00 179.45 175.60 2dml n ASP 66 N -5.14 0.53 -0.02 4.20 9.92 -1.26 -4.50 116.55 120.28 2dml n ASP 66 Ca 0.11 0.22 -0.00 0.00 -0.53 0.00 0.00 54.79 54.59 2dml n ASP 66 Cb 0.39 0.89 -0.00 0.00 -0.64 0.00 0.00 41.12 41.76 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 -3.25 2.53 2.07 -1.53 -3.46 116.25 112.60 2dml h VAL 67 Ca -0.08 -0.27 -0.63 0.00 0.82 0.00 0.00 66.70 66.54 2dml h VAL 67 Cb 1.23 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.64 2dml h VAL 67 CO 0.01 0.00 -0.83 -0.69 0.02 0.00 0.00 177.57 176.08 2dml s VAL 68 N -1.22 1.80 -0.51 2.57 1.01 0.40 -4.69 120.40 119.76 2dml s VAL 68 Ca -0.01 -0.92 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2dml s VAL 68 Cb 0.00 -1.73 -0.07 0.00 0.00 0.00 0.00 36.38 34.57 2dml s VAL 68 CO 0.02 0.36 2.41 -0.54 0.00 0.00 0.00 175.10 177.36 2dml s LYS 69 N 1.37 2.06 -0.53 2.72 -0.14 -0.87 -4.13 119.74 120.21 2dml s LYS 69 Ca 0.02 1.36 -0.19 0.00 -1.36 0.00 0.00 55.97 55.80 2dml s LYS 69 Cb -0.14 -4.60 0.07 0.00 -1.68 0.00 0.00 37.83 31.48 2dml s LYS 69 CO -0.10 -3.36 0.67 0.08 -0.76 0.00 0.00 175.35 171.88 2dml s VAL 70 N 12.40 4.82 0.00 3.17 1.01 -1.26 -0.52 120.40 140.01 2dml s VAL 70 Ca 0.97 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2dml s VAL 70 Cb -0.17 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.84 2dml s VAL 70 CO 0.25 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 175.04 2dml n GLY 71 N 5.20 1.54 3.53 4.51 0.00 0.03 -2.50 105.19 117.50 2dml n GLY 71 Ca -0.07 -2.01 -0.00 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 -2.27 -2.38 -0.18 4.61 0.00 -0.89 -3.92 121.76 116.73 2dml s ALA 72 Ca 0.00 2.20 -0.02 0.00 0.00 0.00 0.00 51.96 54.14 2dml s ALA 72 Cb 0.00 -1.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 2dml s ALA 72 CO 0.00 -0.87 -0.09 0.08 0.00 0.00 0.00 175.76 174.87 2dml s VAL 73 N 2.51 3.08 -0.95 0.00 1.01 -1.05 -2.64 120.40 122.36 2dml s VAL 73 Ca -0.05 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2dml s VAL 73 Cb -0.08 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2dml s VAL 73 CO -0.18 0.47 1.93 0.21 0.00 0.00 0.00 175.10 177.53 2dml s ASN 74 N 1.07 5.18 0.37 3.32 2.47 -1.26 -2.63 114.94 123.47 2dml s ASN 74 Ca 0.00 -0.85 0.20 0.00 0.42 0.00 0.00 52.86 52.63 2dml s ASN 74 Cb -0.15 -2.56 1.26 0.00 -1.45 0.00 0.00 41.25 38.35 2dml s ASN 74 CO -0.02 -2.74 1.63 0.00 -3.72 0.00 0.00 177.10 172.25 2dml h ALA 75 N 10.99 2.22 -0.28 1.71 0.00 -1.35 0.96 119.26 133.51 2dml h ALA 75 Ca 0.12 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2dml h ALA 75 Cb 0.99 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dml h ALA 75 CO 1.22 -0.89 0.15 0.22 0.00 0.00 0.00 179.25 179.95 2dml h ASP 76 N 0.16 0.35 0.00 0.00 3.58 -1.87 -1.11 116.42 117.54 2dml h ASP 76 Ca 0.79 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 58.14 2dml h ASP 76 Cb 2.08 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 43.04 2dml h ASP 76 CO -0.61 0.35 -0.01 0.50 -2.88 0.00 0.00 179.24 176.59 2dml h LYS 77 N 0.33 0.00 -1.92 0.28 3.64 -0.22 -3.34 116.57 115.33 2dml h LYS 77 Ca 0.10 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2dml h LYS 77 Cb 0.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2dml h LYS 77 CO -0.01 0.06 0.03 0.72 -2.27 0.00 0.00 179.45 177.98 2dml n HIS 78 N -4.77 0.28 -0.61 1.91 8.25 0.27 -4.58 115.22 115.99 2dml n HIS 78 Ca -0.01 -1.23 0.48 0.00 -0.26 0.00 0.00 57.72 56.70 2dml n HIS 78 Cb 0.04 -0.71 0.77 0.00 1.12 0.00 0.00 29.99 31.20 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 1.34 0.01 0.02 -0.41 1.08 -1.32 0.68 115.11 116.51 2dml h GLN 79 Ca 0.08 -0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dml h GLN 79 Cb 1.04 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2dml h GLN 79 CO 0.17 0.01 -0.01 0.66 -0.95 0.00 0.00 178.83 178.70 2dml h SER 80 N 0.01 -0.02 0.05 1.46 4.64 -1.84 -1.47 113.55 116.39 2dml h SER 80 Ca 0.89 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 62.00 2dml h SER 80 Cb 3.35 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 65.42 2dml h SER 80 CO -0.15 0.22 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.78 2dml h LEU 81 N -0.26 -0.52 0.61 5.97 3.38 -0.01 0.41 115.31 124.89 2dml h LEU 81 Ca -0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dml h LEU 81 Cb 0.25 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 81 CO 0.00 -0.25 -0.46 1.23 0.09 0.00 0.00 178.44 179.05 2dml h GLY 82 N -0.32 -1.25 0.73 0.83 0.00 -1.48 -2.90 103.07 98.68 2dml h GLY 82 Ca 0.04 0.54 0.07 0.00 0.00 0.00 0.00 47.33 47.98 2dml h GLY 82 CO -0.13 -0.40 0.65 -1.33 0.00 0.00 0.00 176.54 175.32 2dml h GLY 83 N -1.03 1.52 1.04 4.60 0.00 -1.22 -0.51 103.07 107.47 2dml h GLY 83 Ca -0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.78 2dml h GLY 83 CO 0.02 0.33 0.48 -1.61 0.00 0.00 0.00 176.54 175.76 2dml h GLN 84 N 1.17 0.00 0.00 4.80 4.15 0.04 -0.47 115.11 124.79 2dml h GLN 84 Ca 0.43 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.56 2dml h GLN 84 Cb 0.17 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 2dml h GLN 84 CO -0.17 0.00 -2.11 0.66 -1.93 0.00 0.00 178.83 175.28 2dml n TYR 85 N -2.82 0.00 0.00 3.99 4.02 -0.30 -5.02 117.16 117.03 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 0.52 -0.75 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 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 2.50 0.89 3.67 2.72 0.00 -0.19 -5.11 105.19 109.67 2dml n GLY 86 Ca -0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.89 4.09 -0.05 1.61 1.01 -0.78 -4.86 120.40 120.52 2dml s VAL 87 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 61.98 63.33 2dml s VAL 87 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2dml s VAL 87 CO 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 175.10 174.97 2dml n GLN 88 N 6.44 0.80 -4.00 2.72 1.13 -1.26 -4.39 117.38 118.82 2dml n GLN 88 Ca 0.14 0.02 -0.19 0.00 -1.94 0.00 0.00 57.00 55.03 2dml n GLN 88 Cb 0.44 -1.10 -0.16 0.00 0.11 0.00 0.00 30.24 29.53 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dml s GLY 89 N -4.27 0.37 0.29 1.08 0.00 -1.26 -5.15 107.32 98.38 2dml s GLY 89 Ca -0.06 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.73 2dml s GLY 89 CO 0.12 0.63 0.44 -1.36 0.00 0.00 0.00 173.10 172.93 2dml s PHE 90 N 1.15 3.35 0.53 1.90 0.08 -1.26 -4.17 117.98 119.56 2dml s PHE 90 Ca -0.08 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.77 2dml s PHE 90 Cb -0.14 -1.78 -0.06 0.00 -0.57 0.00 0.00 43.02 40.48 2dml s PHE 90 CO -0.02 0.22 1.14 -1.25 -0.10 0.00 0.00 175.22 175.21 2dml s PRO 91 N -4.12 3.42 -0.29 0.24 0.04 -1.26 -4.88 135.00 128.15 2dml s PRO 91 Ca 0.39 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2dml s PRO 91 Cb -0.09 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.47 2dml s PRO 91 CO 0.31 -0.80 0.08 0.99 0.04 0.00 0.00 177.00 177.62 2dml s THR 92 N -1.73 0.81 0.07 1.26 2.01 -0.73 -4.98 115.64 112.35 2dml s THR 92 Ca 0.71 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 2dml s THR 92 Cb -0.25 -1.55 -0.07 0.00 0.01 0.00 0.00 72.50 70.65 2dml s THR 92 CO 0.28 -0.59 0.58 -0.63 -0.69 0.00 0.00 174.62 173.57 2dml s ILE 93 N 1.66 4.74 -0.05 1.82 1.01 -1.26 -0.15 121.20 128.97 2dml s ILE 93 Ca 0.07 1.23 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2dml s ILE 93 Cb -0.17 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2dml s ILE 93 CO -0.22 0.55 -0.03 -0.54 0.00 0.00 0.00 174.94 174.69 2dml s LYS 94 N -1.06 0.71 -0.01 2.79 -0.14 0.12 -3.09 119.74 119.06 2dml s LYS 94 Ca 0.29 -0.03 -0.17 0.00 -1.36 0.00 0.00 55.97 54.70 2dml s LYS 94 Cb -0.20 -0.82 -0.06 0.00 -1.68 0.00 0.00 37.83 35.08 2dml s LYS 94 CO 0.19 -0.14 0.46 0.42 -0.76 0.00 0.00 175.35 175.52 2dml s ILE 95 N 1.15 5.00 -0.13 2.17 1.01 -0.51 -1.75 121.20 128.15 2dml s ILE 95 Ca -0.07 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.55 2dml s ILE 95 Cb -0.14 -3.78 -0.00 0.00 0.01 0.00 0.00 42.46 38.55 2dml s ILE 95 CO -0.01 0.51 -0.19 -0.36 0.00 0.00 0.00 174.94 174.89 2dml s PHE 96 N -0.68 2.68 0.00 3.97 0.40 0.61 -0.25 117.98 124.71 2dml s PHE 96 Ca 0.25 -1.00 0.00 0.00 -0.60 0.00 0.00 56.93 55.59 2dml s PHE 96 Cb -0.17 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.56 2dml s PHE 96 CO 0.14 -0.41 0.00 0.41 0.70 0.00 0.00 175.22 176.06 2dml n GLY 97 N 3.72 -1.30 0.29 4.36 0.00 -1.26 -2.10 105.19 108.90 2dml n GLY 97 Ca -0.19 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.44 -3.95 4.61 0.00 -1.26 -3.81 120.51 112.65 2dml n ALA 98 Ca 0.00 0.59 -0.31 0.00 0.00 0.00 0.00 53.44 53.72 2dml n ALA 98 Cb 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 2dml n ALA 98 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dml s ASN 99 N -4.92 4.37 0.64 0.00 2.47 -1.26 -4.96 114.94 111.27 2dml s ASN 99 Ca -0.08 -1.73 0.39 0.00 0.42 0.00 0.00 52.86 51.86 2dml s ASN 99 Cb 0.08 -1.37 2.14 0.00 -1.45 0.00 0.00 41.25 40.65 2dml s ASN 99 CO 0.43 -0.33 2.21 0.11 -3.72 0.00 0.00 177.10 175.80 2dml h LYS 100 N 7.80 0.00 0.01 0.43 1.79 -1.96 0.47 116.57 125.12 2dml h LYS 100 Ca -0.11 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.14 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 -1.02 -0.91 -1.08 0.00 0.00 179.45 176.92 2dml h ASN 101 N 0.00 0.05 -3.02 0.86 2.35 -1.93 -3.42 115.58 110.47 2dml h ASN 101 Ca 0.00 -0.05 -0.57 0.00 -0.55 0.00 0.00 56.30 55.13 2dml h ASN 101 Cb 0.15 -0.02 -0.40 0.00 0.05 0.00 0.00 38.32 38.11 2dml h ASN 101 CO 0.00 1.03 -0.77 -0.54 -1.65 0.00 0.00 177.43 175.50 2dml s LYS 102 N -2.73 0.62 1.08 0.81 1.02 0.15 -5.11 119.74 115.58 2dml s LYS 102 Ca 0.00 -1.08 -0.15 0.00 0.02 0.00 0.00 55.97 54.77 2dml s LYS 102 Cb 0.10 -1.71 0.23 0.00 -0.52 0.00 0.00 37.83 35.93 2dml s LYS 102 CO 0.83 -1.05 1.10 -1.25 -0.92 0.00 0.00 175.35 174.05 2dml s PRO 103 N 1.52 -0.20 0.03 -1.68 0.04 -1.23 -4.40 135.00 129.07 2dml s PRO 103 Ca 0.12 0.30 -0.00 0.00 0.04 0.00 0.00 61.00 61.46 2dml s PRO 103 Cb -0.19 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 2dml s PRO 103 CO -0.22 -3.11 0.14 -1.21 0.04 0.00 0.00 177.00 172.64 2dml s GLU 104 N -5.10 3.23 -0.51 4.56 2.02 0.66 -4.87 118.70 118.68 2dml s GLU 104 Ca 0.67 -0.47 -0.28 0.00 0.02 0.00 0.00 54.97 54.92 2dml s GLU 104 Cb -0.16 -2.95 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 2dml s GLU 104 CO 0.57 0.63 1.62 -0.51 0.02 0.00 0.00 175.26 177.59 2dml s ASP 105 N -2.12 5.86 -0.35 -0.19 1.11 -1.26 -1.43 116.67 118.29 2dml s ASP 105 Ca 0.28 0.56 -0.38 0.00 0.18 0.00 0.00 52.55 53.19 2dml s ASP 105 Cb -0.12 -2.54 -0.14 0.00 1.07 0.00 0.00 42.92 41.19 2dml s ASP 105 CO 0.20 -1.87 2.07 0.00 1.18 0.00 0.00 175.17 176.75 2dml n TYR 106 N 10.52 1.66 -1.83 4.23 4.19 -1.18 -4.83 117.16 129.92 2dml n TYR 106 Ca 0.17 0.41 -0.28 0.00 3.31 0.00 0.00 57.90 61.52 2dml n TYR 106 Cb 0.49 -2.48 0.04 0.00 0.49 0.00 0.00 39.34 37.88 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 7.38 3.33 0.00 2.98 6.02 -1.26 -4.92 117.38 130.90 2dml n GLN 107 Ca 0.40 -3.91 0.00 0.00 -0.01 0.00 0.00 57.00 53.47 2dml n GLN 107 Cb 0.16 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.14 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dml n GLY 108 N -0.76 5.54 3.88 1.08 0.00 -1.26 -5.13 105.19 108.53 2dml n GLY 108 Ca 0.50 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.12 2.26 -0.12 -0.02 0.00 -1.26 -4.98 107.32 103.09 2dml s GLY 109 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 2dml s GLY 109 CO 0.00 -0.34 2.21 0.54 0.00 0.00 0.00 173.10 175.51 2dml n ARG 110 N 1.29 1.41 -4.53 2.90 5.12 -1.26 -3.69 116.66 117.90 2dml n ARG 110 Ca -0.13 -0.68 -0.25 0.00 -1.93 0.00 0.00 57.85 54.87 2dml n ARG 110 Cb 0.53 -1.34 -0.17 0.00 -1.16 0.00 0.00 32.46 30.32 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 -0.68 1.15 0.27 0.55 -4.23 -1.26 -4.78 115.64 106.65 2dml s THR 111 Ca 0.19 -0.47 0.13 0.00 -1.18 0.00 0.00 61.69 60.36 2dml s THR 111 Cb 0.12 -1.06 0.27 0.00 1.34 0.00 0.00 72.50 73.17 2dml s THR 111 CO -0.01 0.36 1.17 0.61 -0.54 0.00 0.00 174.62 176.21 2dml n GLY 112 N 3.92 -0.63 0.05 3.99 0.00 -0.47 0.14 105.19 112.19 2dml n GLY 112 Ca -0.22 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.01 -0.46 1.61 4.11 -1.94 -2.10 114.58 115.79 2dml h GLU 113 Ca 0.60 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.99 2dml h GLU 113 Cb 1.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 2dml h GLU 113 CO -0.59 0.26 0.13 0.00 0.07 0.00 0.00 179.01 178.88 2dml h ALA 114 N 0.69 0.61 -0.81 1.06 0.00 0.91 -2.91 119.26 118.81 2dml h ALA 114 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2dml h ALA 114 Cb 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2dml h ALA 114 CO 0.00 0.28 0.48 0.82 0.00 0.00 0.00 179.25 180.82 2dml h ILE 115 N 0.61 0.97 -0.81 0.00 2.04 -0.58 -0.72 117.51 119.02 2dml h ILE 115 Ca 0.15 -0.29 0.06 0.00 1.00 0.00 0.00 64.86 65.78 2dml h ILE 115 Cb 0.30 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 2dml h ILE 115 CO -0.00 0.15 0.49 0.58 0.00 0.00 0.00 178.15 179.37 2dml h VAL 116 N 0.84 1.01 -0.10 1.67 2.07 -1.18 0.14 116.25 120.70 2dml h VAL 116 Ca 0.37 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.44 2dml h VAL 116 Cb 0.25 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 2dml h VAL 116 CO -0.21 0.16 -0.56 -0.78 0.02 0.00 0.00 177.57 176.21 2dml h ASP 117 N 0.89 0.33 0.00 0.57 1.82 -1.22 -2.75 116.42 116.06 2dml h ASP 117 Ca 0.36 -0.18 -0.00 0.00 -0.39 0.00 0.00 57.03 56.82 2dml h ASP 117 Cb 0.19 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.11 2dml h ASP 117 CO -0.18 0.82 -0.00 0.00 -1.61 0.00 0.00 179.24 178.27 2dml h ALA 118 N 1.19 -0.00 -0.34 -0.78 0.00 -0.14 -1.77 119.26 117.41 2dml h ALA 118 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2dml h ALA 118 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2dml h ALA 118 CO 0.09 -0.32 0.14 0.00 0.00 0.00 0.00 179.25 179.16 2dml h ALA 119 N 0.63 0.41 0.44 0.00 0.00 -1.04 -2.40 119.26 117.29 2dml h ALA 119 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 119 Cb 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dml h ALA 119 CO 0.00 -0.25 -0.25 -0.07 0.00 0.00 0.00 179.25 178.68 2dml h LEU 120 N 0.30 -0.63 -0.91 0.00 3.38 -1.50 0.13 115.31 116.08 2dml h LEU 120 Ca 0.15 0.03 0.25 0.00 0.09 0.00 0.00 57.88 58.41 2dml h LEU 120 Cb 0.10 0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 2dml h LEU 120 CO -0.14 -0.41 0.34 -1.28 0.09 0.00 0.00 178.44 177.05 2dml h SER 121 N -0.65 0.19 -0.09 -0.43 0.87 -1.15 0.69 113.55 112.97 2dml h SER 121 Ca -0.05 0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 2dml h SER 121 Cb 0.53 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 2dml h SER 121 CO 0.06 -0.12 -0.32 0.00 -0.53 0.00 0.00 176.83 175.93 2dml h ALA 122 N 1.78 0.16 -0.10 6.23 0.00 -1.07 -2.94 119.26 123.33 2dml h ALA 122 Ca 0.59 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2dml h ALA 122 Cb 1.22 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 2dml h ALA 122 CO -0.62 0.21 -0.50 1.25 0.00 0.00 0.00 179.25 179.60 2dml h LEU 123 N -0.07 -1.56 -0.76 0.00 7.12 0.15 -1.17 115.31 119.01 2dml h LEU 123 Ca -0.01 0.19 0.10 0.00 0.13 0.00 0.00 57.88 58.29 2dml h LEU 123 Cb 0.95 0.61 -0.08 0.00 -0.53 0.00 0.00 40.66 41.62 2dml h LEU 123 CO 0.07 -0.48 0.40 0.08 -0.13 0.00 0.00 178.44 178.38 2dml h ARG 124 N -0.57 0.63 -0.59 1.25 -0.00 -1.32 -1.72 114.38 112.06 2dml h ARG 124 Ca 0.04 -0.04 0.11 0.00 -0.00 0.00 0.00 59.98 60.10 2dml h ARG 124 Cb 0.68 -0.14 -0.08 0.00 -0.00 0.00 0.00 29.97 30.42 2dml h ARG 124 CO -0.41 0.42 0.13 1.03 -0.00 0.00 0.00 179.97 181.14 2dml h SER 125 N 0.65 0.02 -3.41 0.08 0.87 -1.06 -3.48 113.55 107.22 2dml h SER 125 Ca 0.38 0.11 0.38 0.00 -1.23 0.00 0.00 61.79 61.43 2dml h SER 125 Cb 0.42 0.14 -0.14 0.00 -0.44 0.00 0.00 62.40 62.38 2dml h SER 125 CO -0.28 0.02 -0.86 0.61 -0.53 0.00 0.00 176.83 175.79 2dml n GLY 126 N -1.31 -2.53 3.59 5.77 0.00 -0.63 -4.58 105.19 105.50 2dml n GLY 126 Ca 0.09 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.11 3.27 0.11 1.61 0.04 -1.26 -4.87 135.00 130.79 2dml s PRO 127 Ca 0.00 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 61.97 2dml s PRO 127 Cb 0.00 -4.19 -0.08 0.00 0.04 0.00 0.00 34.50 30.27 2dml s PRO 127 CO 0.00 -1.94 1.44 0.77 0.04 0.00 0.00 177.00 177.32 2dml h SER 128 N 12.74 -1.57 -3.82 6.66 0.02 -1.96 -3.45 113.55 122.18 2dml h SER 128 Ca -0.31 0.21 0.15 0.00 -0.84 0.00 0.00 61.79 61.00 2dml h SER 128 Cb 1.15 0.65 -0.24 0.00 0.14 0.00 0.00 62.40 64.11 2dml h SER 128 CO 1.07 -0.30 0.69 -0.55 -1.14 0.00 0.00 176.83 176.61 2dml s SER 129 N -4.70 -0.25 0.00 3.07 0.15 -1.26 -5.24 113.70 105.47 2dml s SER 129 Ca -0.11 0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2dml s SER 129 Cb 0.07 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2dml s SER 129 CO 0.50 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.30