#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 0.26 0.08 1.61 0.15 -1.26 -5.07 113.70 109.47 2dml s SER 2 Ca 0.00 -1.18 -0.32 0.00 0.70 0.00 0.00 55.95 55.15 2dml s SER 2 Cb 0.00 0.75 -0.16 0.00 -1.71 0.00 0.00 66.02 64.90 2dml s SER 2 CO 0.00 -1.48 1.62 0.77 1.20 0.00 0.00 173.24 175.35 2dml h SER 3 N 2.06 -0.84 -3.04 5.45 4.64 -2.01 -3.42 113.55 116.39 2dml h SER 3 Ca -0.29 0.05 -0.38 0.00 -0.47 0.00 0.00 61.79 60.71 2dml h SER 3 Cb 1.25 0.26 -0.38 0.00 -0.31 0.00 0.00 62.40 63.21 2dml h SER 3 CO 0.38 -0.51 -0.70 -0.83 -0.87 0.00 0.00 176.83 174.29 2dml s GLY 4 N -2.16 0.19 -1.23 -0.77 0.00 -1.26 -5.06 107.32 97.03 2dml s GLY 4 Ca -0.17 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 2dml s GLY 4 CO 0.63 1.70 1.56 1.44 0.00 0.00 0.00 173.10 178.43 2dml n SER 5 N 5.30 5.22 -1.92 1.64 7.64 -1.26 -4.36 113.62 125.88 2dml n SER 5 Ca -0.05 -3.03 -0.10 0.00 1.01 0.00 0.00 58.87 56.70 2dml n SER 5 Cb 0.50 -1.53 0.04 0.00 -1.01 0.00 0.00 64.21 62.20 2dml n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dml n SER 6 N 4.90 -3.48 0.00 6.43 2.88 -1.26 -4.83 113.62 118.25 2dml n SER 6 Ca 0.37 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2dml n SER 6 Cb 0.40 -2.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.35 2dml n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dml n GLY 7 N -1.14 -1.73 3.38 0.46 0.00 -1.26 -5.01 105.19 99.88 2dml n GLY 7 Ca -0.03 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 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 2.33 0.21 4.61 0.00 -1.26 -4.80 121.76 120.85 2dml s ALA 8 Ca 0.00 -1.48 0.10 0.00 0.00 0.00 0.00 51.96 50.58 2dml s ALA 8 Cb 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 2dml s ALA 8 CO 0.00 0.48 -0.18 0.08 0.00 0.00 0.00 175.76 176.14 2dml s VAL 9 N -1.25 2.06 0.04 0.00 1.01 -1.26 -5.14 120.40 115.86 2dml s VAL 9 Ca 0.15 -2.16 -0.27 0.00 0.00 0.00 0.00 61.98 59.69 2dml s VAL 9 Cb -0.09 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.31 2dml s VAL 9 CO 0.07 -0.39 1.21 -0.94 0.00 0.00 0.00 175.10 175.04 2dml s SER 10 N -3.09 -0.03 0.00 3.32 1.04 -1.26 -5.01 113.70 108.66 2dml s SER 10 Ca 0.22 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dml s SER 10 Cb -0.04 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dml s SER 10 CO 0.10 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2dml n GLY 11 N -0.70 1.42 0.22 7.32 0.00 -1.26 -4.95 105.19 107.25 2dml n GLY 11 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.13-10.79 0.99 3.38 -1.98 -3.42 115.31 103.35 2dml h LEU 12 Ca 0.00 0.12 -0.45 0.00 0.09 0.00 0.00 57.88 57.64 2dml h LEU 12 Cb 0.00 0.20 0.14 0.00 0.09 0.00 0.00 40.66 41.09 2dml h LEU 12 CO 0.00 -0.05 0.31 -0.31 0.09 0.00 0.00 178.44 178.49 2dml s TYR 13 N -6.14 1.53 0.18 1.13 1.51 -1.26 -5.11 117.35 109.20 2dml s TYR 13 Ca -0.13 0.09 -0.23 0.00 -1.01 0.00 0.00 57.07 55.79 2dml s TYR 13 Cb 0.17 -3.73 0.07 0.00 -0.11 0.00 0.00 41.96 38.37 2dml s TYR 13 CO 0.73 -2.35 1.02 -1.12 -1.11 0.00 0.00 175.55 172.73 2dml s SER 14 N -4.85 -0.03 0.20 2.29 0.01 -1.26 -4.82 113.70 105.24 2dml s SER 14 Ca 0.72 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.23 2dml s SER 14 Cb -0.04 0.50 0.13 0.00 0.21 0.00 0.00 66.02 66.82 2dml s SER 14 CO 0.50 -0.98 1.85 0.28 0.41 0.00 0.00 173.24 175.30 2dml h SER 15 N 2.00 0.82 -0.85 2.44 0.02 -1.98 -2.81 113.55 113.19 2dml h SER 15 Ca -0.27 -0.04 0.18 0.00 -0.84 0.00 0.00 61.79 60.81 2dml h SER 15 Cb 1.22 -0.21 -0.16 0.00 0.14 0.00 0.00 62.40 63.39 2dml h SER 15 CO 0.34 0.62 -0.18 -1.28 -1.14 0.00 0.00 176.83 175.20 2dml h SER 16 N 0.95 -0.74 -4.29 3.07 0.87 -1.96 -3.40 113.55 108.04 2dml h SER 16 Ca 0.25 0.25 -0.51 0.00 -1.23 0.00 0.00 61.79 60.55 2dml h SER 16 Cb -0.06 0.51 0.12 0.00 -0.44 0.00 0.00 62.40 62.53 2dml h SER 16 CO -0.05 -0.28 0.33 1.51 -0.53 0.00 0.00 176.83 177.81 2dml s ASP 17 N -5.23 4.66 0.00 6.23 -4.77 -1.06 -4.91 116.67 111.59 2dml s ASP 17 Ca -0.14 1.84 0.22 0.00 -3.30 0.00 0.00 52.55 51.16 2dml s ASP 17 Cb 0.24 -2.53 1.12 0.00 -1.09 0.00 0.00 42.92 40.66 2dml s ASP 17 CO 0.76 -1.93 1.69 0.47 0.70 0.00 0.00 175.17 176.87 2dml n ASP 18 N -3.30 0.00 -4.72 2.11 9.92 -1.26 -4.77 116.55 114.54 2dml n ASP 18 Ca 0.09 -0.11 -0.42 0.00 -0.53 0.00 0.00 54.79 53.82 2dml n ASP 18 Cb 0.53 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.73 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 -2.49 4.28 -0.24 2.53 1.01 -1.26 -4.73 120.40 119.50 2dml s VAL 19 Ca 0.22 1.69 -0.25 0.00 0.00 0.00 0.00 61.98 63.65 2dml s VAL 19 Cb 0.15 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2dml s VAL 19 CO 0.32 0.16 0.83 -0.63 0.00 0.00 0.00 175.10 175.78 2dml s ILE 20 N 0.80 4.84 -0.60 2.22 1.01 -1.02 -4.73 121.20 123.71 2dml s ILE 20 Ca 0.55 1.58 -0.26 0.00 0.00 0.00 0.00 60.65 62.51 2dml s ILE 20 Cb -0.27 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2dml s ILE 20 CO 0.30 -0.07 2.05 -0.70 0.00 0.00 0.00 174.94 176.52 2dml s GLU 21 N 2.82 2.42 0.16 2.79 2.56 -1.26 -2.31 118.70 125.88 2dml s GLU 21 Ca 0.35 0.78 -0.26 0.00 0.00 0.00 0.00 54.97 55.84 2dml s GLU 21 Cb -0.15 -4.51 -0.08 0.00 2.00 0.00 0.00 34.13 31.39 2dml s GLU 21 CO 0.07 -3.01 0.81 -0.51 -0.56 0.00 0.00 175.26 172.07 2dml s LEU 22 N 10.31 4.58 0.09 2.70 1.43 -0.96 -4.93 118.68 131.89 2dml s LEU 22 Ca 0.77 1.68 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 2dml s LEU 22 Cb -0.13 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 2dml s LEU 22 CO 0.20 0.16 -0.05 0.42 0.23 0.00 0.00 176.35 177.32 2dml s THR 23 N -0.95 0.51 -1.12 5.49 -4.23 -1.26 -4.50 115.64 109.58 2dml s THR 23 Ca 0.38 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2dml s THR 23 Cb -0.23 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2dml s THR 23 CO 0.27 -0.89 0.27 -0.81 -0.54 0.00 0.00 174.62 172.93 2dml n PRO 24 N 0.00 0.49 0.00 3.99 -0.04 -1.26 0.43 135.00 138.61 2dml n PRO 24 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2dml n PRO 24 Cb 0.61 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.16 4.42 0.00 3.54 7.64 -1.26 -4.79 113.62 123.32 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 0.11 0.71 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 -1.52 3.12 -0.45 6.43 6.94 -0.85 -4.74 115.26 124.19 2dml n ASN 26 Ca 0.00 -0.08 0.36 0.00 -0.02 0.00 0.00 54.58 54.85 2dml n ASN 26 Cb 0.17 0.78 0.59 0.00 -2.36 0.00 0.00 39.78 38.96 2dml n ASN 26 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 2dml n PHE 27 N -1.09 0.38 0.09 -2.53 -0.00 0.17 0.24 117.46 114.72 2dml n PHE 27 Ca 0.00 0.39 -0.23 0.00 -0.00 0.00 0.00 57.45 57.61 2dml n PHE 27 Cb 0.00 -0.80 -0.15 0.00 -0.00 0.00 0.00 39.48 38.53 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 0.63 0.58 -2.13 -1.24 -1.85 0.24 115.58 111.81 2dml h ASN 28 Ca 0.74 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.82 2dml h ASN 28 Cb 2.57 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 41.42 2dml h ASN 28 CO -0.26 1.60 0.00 0.54 -1.29 0.00 0.00 177.43 178.03 2dml n ARG 29 N -3.87 0.40 -0.09 6.67 5.12 0.65 0.24 116.66 125.78 2dml n ARG 29 Ca -0.18 0.01 -0.18 0.00 -1.93 0.00 0.00 57.85 55.57 2dml n ARG 29 Cb 0.98 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.72 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2dml n GLU 30 N -1.30 0.37 -0.05 5.56 -0.58 0.36 -4.56 120.64 120.44 2dml n GLU 30 Ca 0.14 0.15 -0.05 0.00 -0.42 0.00 0.00 57.16 56.98 2dml n GLU 30 Cb 0.24 -1.14 -0.02 0.00 -0.57 0.00 0.00 31.44 29.95 2dml n GLU 30 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dml n VAL 31 N -3.68 0.78 -0.28 2.62 0.31 0.05 -4.13 118.33 113.99 2dml n VAL 31 Ca -0.34 0.32 0.25 0.00 -0.01 0.00 0.00 64.34 64.56 2dml n VAL 31 Cb 0.75 -1.94 0.59 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 -0.52 0.54 -0.79 2.52 1.08 -1.16 0.62 117.51 119.79 2dml h ILE 32 Ca 0.00 -0.09 -0.41 0.00 -0.39 0.00 0.00 64.86 63.97 2dml h ILE 32 Cb 0.50 0.26 -0.24 0.00 -3.07 0.00 0.00 36.82 34.27 2dml h ILE 32 CO 0.00 0.05 0.53 0.00 -0.69 0.00 0.00 178.15 178.03 2dml n GLN 33 N -4.46 2.00 -3.70 2.37 1.13 0.67 -4.73 117.38 110.65 2dml n GLN 33 Ca 0.23 -2.38 -0.30 0.00 -1.94 0.00 0.00 57.00 52.61 2dml n GLN 33 Cb 0.92 -1.93 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 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 -0.82 3.77 0.63 1.08 0.15 0.21 -4.81 113.70 113.91 2dml s SER 34 Ca 0.45 -2.17 0.28 0.00 0.70 0.00 0.00 55.95 55.22 2dml s SER 34 Cb 0.38 -0.92 1.48 0.00 -1.71 0.00 0.00 66.02 65.25 2dml s SER 34 CO 0.08 -0.34 1.87 -0.78 1.20 0.00 0.00 173.24 175.28 2dml h ASP 35 N 7.34 0.00 -0.14 5.45 3.58 -1.85 -3.41 116.42 127.39 2dml h ASP 35 Ca -0.06 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.39 2dml h ASP 35 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2dml h ASP 35 CO 0.46 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.43 2dml n GLY 36 N -1.38 -1.88 3.86 -0.78 0.00 -1.26 -4.87 105.19 98.87 2dml n GLY 36 Ca 0.04 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 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 4.39 -0.05 0.99 2.96 -1.26 -4.68 118.68 121.03 2dml s LEU 37 Ca 0.00 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.50 2dml s LEU 37 Cb 0.00 -2.20 0.01 0.00 0.50 0.00 0.00 46.19 44.50 2dml s LEU 37 CO 0.00 0.37 -0.10 0.26 -1.32 0.00 0.00 176.35 175.56 2dml s TRP 38 N -0.90 1.18 -0.40 5.38 0.52 -0.88 -1.57 118.94 122.26 2dml s TRP 38 Ca 0.17 -0.38 -0.03 0.00 0.02 0.00 0.00 56.10 55.87 2dml s TRP 38 Cb -0.13 -0.89 0.11 0.00 -1.15 0.00 0.00 33.47 31.41 2dml s TRP 38 CO 0.06 -0.21 0.19 -0.51 0.02 0.00 0.00 176.95 176.49 2dml s LEU 39 N 0.61 5.16 -0.21 2.99 1.43 0.09 -0.52 118.68 128.23 2dml s LEU 39 Ca -0.11 -1.98 -0.09 0.00 -1.03 0.00 0.00 54.13 50.92 2dml s LEU 39 Cb -0.14 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2dml s LEU 39 CO 0.02 -0.52 0.12 -0.69 0.23 0.00 0.00 176.35 175.51 2dml s VAL 40 N 1.14 5.12 -0.23 -1.59 1.01 -0.82 -1.08 120.40 123.96 2dml s VAL 40 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2dml s VAL 40 Cb -0.22 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.84 2dml s VAL 40 CO -0.04 0.40 -0.12 -0.70 0.00 0.00 0.00 175.10 174.65 2dml s GLU 41 N 0.71 2.77 -0.70 2.72 2.12 -1.25 -0.21 118.70 124.86 2dml s GLU 41 Ca 0.06 -1.00 -0.26 0.00 0.36 0.00 0.00 54.97 54.13 2dml s GLU 41 Cb -0.13 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.48 2dml s GLU 41 CO 0.02 -0.37 1.19 -0.06 -0.54 0.00 0.00 175.26 175.50 2dml s PHE 42 N 1.27 2.41 0.42 5.30 0.40 0.96 -2.99 117.98 125.75 2dml s PHE 42 Ca -0.00 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.24 2dml s PHE 42 Cb -0.16 -4.52 0.05 0.00 0.51 0.00 0.00 43.02 38.89 2dml s PHE 42 CO -0.07 -1.92 0.39 2.48 0.70 0.00 0.00 175.22 176.80 2dml n TYR 43 N 8.85 -1.28 -3.67 0.36 0.18 -1.09 -1.71 117.16 118.79 2dml n TYR 43 Ca 0.02 -1.71 -0.17 0.00 1.88 0.00 0.00 57.90 57.92 2dml n TYR 43 Cb 0.48 -0.36 -0.16 0.00 -0.38 0.00 0.00 39.34 38.92 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 -2.57 -0.07 -2.00 -3.48 0.00 -1.26 -0.79 121.76 111.58 2dml s ALA 44 Ca 0.30 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.79 2dml s ALA 44 Cb -0.02 -0.76 0.31 0.00 0.00 0.00 0.00 23.12 22.64 2dml s ALA 44 CO 0.19 -0.54 0.77 -0.35 0.00 0.00 0.00 175.76 175.83 2dml n PRO 45 N 5.30 0.49 -0.00 0.00 -0.04 -1.26 -1.94 135.00 137.54 2dml n PRO 45 Ca -0.05 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.42 2dml n PRO 45 Cb 0.50 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.67 0.00 -2.22 0.54 4.27 -1.26 -5.03 117.44 113.08 2dml n TRP 46 Ca 0.04 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.38 2dml n TRP 46 Cb 0.02 -0.04 0.17 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 -3.44 -0.41 0.41 0.00 0.00 -1.26 -3.97 105.19 96.51 2dml n GLY 48 Ca 0.16 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.36 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 0.01 1.61 -0.00 -1.95 0.35 115.15 115.17 2dml h HIS 49 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 2dml h HIS 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2dml h HIS 49 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 177.93 177.80 2dml h GLN 51 N -0.78 0.00 -0.03 0.00 4.20 -0.46 0.72 115.11 118.76 2dml h GLN 51 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dml h GLN 51 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 2dml h GLN 51 CO 0.02 0.05 0.00 2.89 -0.67 0.00 0.00 178.83 181.12 2dml n ARG 52 N -4.18 1.36 -0.15 1.46 -4.01 -0.70 -3.29 116.66 107.16 2dml n ARG 52 Ca -0.03 -0.53 0.10 0.00 -1.04 0.00 0.00 57.85 56.35 2dml n ARG 52 Cb 0.13 -1.46 0.18 0.00 -3.04 0.00 0.00 32.46 28.28 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 -0.33 3.21 0.04 2.89 7.94 0.24 -4.48 117.00 126.52 2dml n LEU 53 Ca 0.20 -1.46 -0.13 0.00 -1.11 0.00 0.00 56.01 53.51 2dml n LEU 53 Cb 0.23 -0.20 -0.09 0.00 0.53 0.00 0.00 43.42 43.89 2dml n LEU 53 CO 0.16 0.69 0.68 0.74 -1.11 0.00 0.00 177.39 178.54 2dml h THR 54 N 3.98 1.11 0.00 1.96 2.02 -1.59 -0.15 112.91 120.24 2dml h THR 54 Ca 0.00 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.42 2dml h THR 54 Cb 0.90 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2dml h THR 54 CO 0.00 0.17 -0.27 1.55 0.37 0.00 0.00 175.52 177.35 2dml h PRO 55 N -0.43 0.00 0.22 6.66 0.13 -1.84 -0.86 132.00 135.88 2dml h PRO 55 Ca -0.01 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.82 2dml h PRO 55 Cb 0.37 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.53 2dml h PRO 55 CO 0.02 0.27 -1.30 0.93 -0.23 0.00 0.00 178.00 177.68 2dml h GLU 56 N 0.00 0.49 -0.08 0.86 4.39 -1.77 -3.09 114.58 115.38 2dml h GLU 56 Ca -0.00 -0.82 -0.10 0.00 0.34 0.00 0.00 59.36 58.78 2dml h GLU 56 Cb 0.69 0.30 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2dml h GLU 56 CO 0.03 1.39 -0.33 2.35 -1.16 0.00 0.00 179.01 181.30 2dml h TRP 57 N 0.01 0.48 0.07 4.33 -0.00 -0.96 0.09 115.95 119.98 2dml h TRP 57 Ca -0.23 -0.21 0.02 0.00 -0.00 0.00 0.00 58.89 58.48 2dml h TRP 57 Cb 2.03 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.16 31.07 2dml h TRP 57 CO 0.15 0.94 -0.31 0.87 -0.00 0.00 0.00 178.44 180.08 2dml h LYS 58 N -0.12 -0.49 -0.89 2.65 1.57 -1.30 -1.86 116.57 116.13 2dml h LYS 58 Ca -0.02 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 2dml h LYS 58 Cb 0.97 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.26 2dml h LYS 58 CO 0.07 -0.33 -0.46 0.87 -0.57 0.00 0.00 179.45 179.04 2dml h LYS 59 N -0.51 -0.05 -0.64 3.15 1.57 -1.63 0.89 116.57 119.35 2dml h LYS 59 Ca 0.04 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2dml h LYS 59 Cb 0.56 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 2dml h LYS 59 CO -0.22 -0.04 0.42 0.00 -0.57 0.00 0.00 179.45 179.05 2dml h ALA 60 N 0.94 1.79 -0.61 3.86 0.00 -1.53 -1.44 119.26 122.28 2dml h ALA 60 Ca 0.25 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2dml h ALA 60 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2dml h ALA 60 CO -0.90 0.11 0.10 0.00 0.00 0.00 0.00 179.25 178.56 2dml h ALA 61 N 1.65 1.03 -0.47 0.00 0.00 0.15 0.25 119.26 121.88 2dml h ALA 61 Ca 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dml h ALA 61 Cb 0.28 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2dml h ALA 61 CO -0.08 0.62 0.21 1.15 0.00 0.00 0.00 179.25 181.15 2dml h THR 62 N 0.93 1.19 -0.00 0.00 2.02 0.09 0.89 112.91 118.03 2dml h THR 62 Ca 0.19 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2dml h THR 62 Cb 0.40 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2dml h THR 62 CO 0.01 0.21 -0.01 0.00 0.37 0.00 0.00 175.52 176.10 2dml h ALA 63 N 1.06 0.00 -0.18 6.16 0.00 -1.33 -3.21 119.26 121.76 2dml h ALA 63 Ca 0.16 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2dml h ALA 63 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dml h ALA 63 CO -0.02 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.40 2dml n LEU 64 N -4.72 1.74 -0.09 0.00 4.77 0.86 -4.23 117.00 115.33 2dml n LEU 64 Ca -0.09 -0.88 -0.06 0.00 -0.03 0.00 0.00 56.01 54.95 2dml n LEU 64 Cb 0.37 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2dml n LEU 64 CO 0.34 0.32 0.88 0.50 -1.33 0.00 0.00 177.39 178.10 2dml h LYS 65 N 1.16 0.14 0.00 3.23 3.64 0.82 0.63 116.57 126.20 2dml h LYS 65 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2dml h LYS 65 Cb 0.61 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2dml h LYS 65 CO 0.07 0.09 -1.37 -0.25 -2.27 0.00 0.00 179.45 175.73 2dml n ASP 66 N -5.12 0.53 -0.01 4.20 9.92 -1.26 -4.44 116.55 120.36 2dml n ASP 66 Ca 0.01 0.18 -0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2dml n ASP 66 Cb 0.16 1.03 -0.00 0.00 -0.64 0.00 0.00 41.12 41.67 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 -3.71 2.53 2.07 -1.69 -3.46 116.25 112.00 2dml h VAL 67 Ca 0.00 -0.24 -0.66 0.00 0.82 0.00 0.00 66.70 66.62 2dml h VAL 67 Cb 0.98 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.39 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 -1.20 2.05 -0.65 2.57 1.01 0.22 -4.64 120.40 119.76 2dml s VAL 68 Ca -0.01 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 2dml s VAL 68 Cb 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 36.38 34.13 2dml s VAL 68 CO 0.02 0.05 2.48 0.29 0.00 0.00 0.00 175.10 177.95 2dml n LYS 69 N 4.50 0.72 -3.02 2.72 4.76 -0.61 -4.25 118.16 122.98 2dml n LYS 69 Ca -0.15 -0.06 -0.44 0.00 -2.87 0.00 0.00 58.31 54.79 2dml n LYS 69 Cb 0.44 -2.93 -0.04 0.00 -1.84 0.00 0.00 35.03 30.65 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 11.35 4.65 0.00 -0.18 1.01 -1.26 -0.73 120.40 135.24 2dml s VAL 70 Ca 1.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.30 2dml s VAL 70 Cb -0.45 -4.55 0.00 0.00 0.00 0.00 0.00 36.38 31.37 2dml s VAL 70 CO 0.31 -1.23 0.00 0.61 0.00 0.00 0.00 175.10 174.79 2dml n GLY 71 N 5.29 1.10 3.63 4.51 0.00 -0.24 -2.42 105.19 117.06 2dml n GLY 71 Ca -0.07 -1.98 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.56 -2.00 -0.13 4.61 0.00 -0.98 -3.88 121.76 116.82 2dml s ALA 72 Ca 0.00 2.37 0.02 0.00 0.00 0.00 0.00 51.96 54.35 2dml s ALA 72 Cb 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 23.12 21.58 2dml s ALA 72 CO 0.00 -0.47 -0.20 0.08 0.00 0.00 0.00 175.76 175.17 2dml s VAL 73 N 1.79 1.90 -0.95 0.00 1.01 -1.16 -2.27 120.40 120.71 2dml s VAL 73 Ca -0.09 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 2dml s VAL 73 Cb -0.06 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2dml s VAL 73 CO -0.19 0.52 1.77 0.21 0.00 0.00 0.00 175.10 177.41 2dml s ASN 74 N 0.81 5.64 0.35 3.32 2.47 -1.26 -2.67 114.94 123.59 2dml s ASN 74 Ca -0.08 -0.98 0.15 0.00 0.42 0.00 0.00 52.86 52.37 2dml s ASN 74 Cb -0.16 -2.56 1.14 0.00 -1.45 0.00 0.00 41.25 38.22 2dml s ASN 74 CO -0.01 -2.30 1.61 0.00 -3.72 0.00 0.00 177.10 172.69 2dml h ALA 75 N 10.71 1.89 -0.54 1.71 0.00 -1.25 1.09 119.26 132.88 2dml h ALA 75 Ca 0.14 0.25 0.01 0.00 0.00 0.00 0.00 54.91 55.31 2dml h ALA 75 Cb 1.01 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2dml h ALA 75 CO 1.29 -0.75 0.34 0.22 0.00 0.00 0.00 179.25 180.35 2dml h ASP 76 N 0.12 0.58 0.00 0.00 3.58 -1.88 0.60 116.42 119.41 2dml h ASP 76 Ca 0.76 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 58.19 2dml h ASP 76 Cb 1.84 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.76 2dml h ASP 76 CO -0.73 0.41 -0.17 0.50 -2.88 0.00 0.00 179.24 176.37 2dml h LYS 77 N 0.69 0.00 -1.81 0.28 3.64 0.10 -3.35 116.57 116.12 2dml h LYS 77 Ca 0.21 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.40 2dml h LYS 77 Cb -0.04 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.71 2dml h LYS 77 CO -0.07 0.12 0.16 0.72 -2.27 0.00 0.00 179.45 178.12 2dml n HIS 78 N -4.71 0.75 -0.46 1.91 8.25 0.31 -4.59 115.22 116.67 2dml n HIS 78 Ca -0.04 -1.52 0.38 0.00 -0.26 0.00 0.00 57.72 56.29 2dml n HIS 78 Cb 0.13 -0.86 0.68 0.00 1.12 0.00 0.00 29.99 31.06 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 1.54 0.09 -0.38 -0.41 4.20 -1.02 0.64 115.11 119.78 2dml h GLN 79 Ca 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 2dml h GLN 79 Cb 0.99 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2dml h GLN 79 CO 0.40 0.06 0.16 0.77 -0.67 0.00 0.00 178.83 179.55 2dml h SER 80 N 0.10 0.52 -0.01 1.46 0.02 -1.83 -1.45 113.55 112.35 2dml h SER 80 Ca 0.78 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 61.58 2dml h SER 80 Cb 2.62 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 65.01 2dml h SER 80 CO -0.26 0.53 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.82 2dml h LEU 81 N 0.47 -0.21 0.84 5.07 3.38 -0.09 0.30 115.31 125.07 2dml h LEU 81 Ca 0.13 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2dml h LEU 81 Cb 0.17 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2dml h LEU 81 CO -0.01 -0.11 -0.43 1.23 0.09 0.00 0.00 178.44 179.21 2dml h GLY 82 N -0.12 -1.25 1.16 0.83 0.00 -1.40 -2.91 103.07 99.37 2dml h GLY 82 Ca 0.03 0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.92 2dml h GLY 82 CO -0.08 -0.45 0.38 -1.33 0.00 0.00 0.00 176.54 175.06 2dml h GLY 83 N -1.17 0.59 2.00 4.60 0.00 -1.26 0.95 103.07 108.78 2dml h GLY 83 Ca -0.11 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2dml h GLY 83 CO 0.17 0.12 0.00 -1.61 0.00 0.00 0.00 176.54 175.22 2dml h GLN 84 N 0.45 0.00 0.00 4.80 4.15 -0.21 -2.72 115.11 121.58 2dml h GLN 84 Ca 0.25 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.48 2dml h GLN 84 Cb 0.41 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 2dml h GLN 84 CO -0.07 0.00 -1.72 0.66 -1.93 0.00 0.00 178.83 175.77 2dml n TYR 85 N -2.39 0.00 0.00 3.99 4.02 0.15 -5.04 117.16 117.89 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 0.05 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 2dml n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2dml n GLY 86 N 2.81 0.40 3.63 2.72 0.00 -0.14 -5.07 105.19 109.55 2dml n GLY 86 Ca -0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.73 5.08 -0.04 1.61 1.01 -0.77 -4.90 120.40 121.66 2dml s VAL 87 Ca 0.00 0.92 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2dml s VAL 87 Cb 0.00 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2dml s VAL 87 CO 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 175.10 175.19 2dml n GLN 88 N 5.26 0.51 -3.82 2.72 6.02 -1.26 -4.34 117.38 122.46 2dml n GLN 88 Ca -0.04 0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.79 2dml n GLN 88 Cb 0.50 -1.08 -0.17 0.00 1.02 0.00 0.00 30.24 30.51 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 -4.26 0.23 0.35 1.08 0.00 -1.26 -5.15 107.32 98.31 2dml s GLY 89 Ca -0.05 0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.86 2dml s GLY 89 CO 0.09 0.85 0.53 -1.36 0.00 0.00 0.00 173.10 173.22 2dml s PHE 90 N 1.39 3.38 0.51 1.90 0.08 -1.26 -4.19 117.98 119.79 2dml s PHE 90 Ca -0.05 0.19 -0.21 0.00 0.12 0.00 0.00 56.93 56.98 2dml s PHE 90 Cb -0.13 -1.95 -0.06 0.00 -0.57 0.00 0.00 43.02 40.31 2dml s PHE 90 CO -0.03 0.05 1.14 -1.25 -0.10 0.00 0.00 175.22 175.04 2dml s PRO 91 N -4.29 3.52 -0.27 0.24 0.04 -1.26 -4.89 135.00 128.08 2dml s PRO 91 Ca 0.41 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 2dml s PRO 91 Cb -0.10 -2.16 0.09 0.00 0.04 0.00 0.00 34.50 32.37 2dml s PRO 91 CO 0.35 -0.73 0.08 0.99 0.04 0.00 0.00 177.00 177.73 2dml s THR 92 N -1.68 0.64 0.13 1.26 2.01 -0.70 -4.99 115.64 112.31 2dml s THR 92 Ca 0.69 -1.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2dml s THR 92 Cb -0.26 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 70.81 2dml s THR 92 CO 0.30 -0.54 0.56 -0.63 -0.69 0.00 0.00 174.62 173.62 2dml s ILE 93 N 1.76 4.80 -0.03 1.82 1.01 -1.26 -0.03 121.20 129.27 2dml s ILE 93 Ca 0.06 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.69 2dml s ILE 93 Cb -0.17 -3.79 0.03 0.00 0.01 0.00 0.00 42.46 38.53 2dml s ILE 93 CO -0.22 0.34 0.00 -0.54 0.00 0.00 0.00 174.94 174.53 2dml s LYS 94 N -1.68 0.32 -0.05 2.79 -0.14 0.71 -3.46 119.74 118.23 2dml s LYS 94 Ca 0.35 0.08 -0.15 0.00 -1.36 0.00 0.00 55.97 54.89 2dml s LYS 94 Cb -0.16 -0.51 -0.05 0.00 -1.68 0.00 0.00 37.83 35.42 2dml s LYS 94 CO 0.19 -0.14 0.40 0.42 -0.76 0.00 0.00 175.35 175.45 2dml s ILE 95 N 1.08 5.12 -0.15 2.17 1.01 -0.76 -1.94 121.20 127.72 2dml s ILE 95 Ca -0.09 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.37 2dml s ILE 95 Cb -0.13 -3.71 -0.00 0.00 0.01 0.00 0.00 42.46 38.62 2dml s ILE 95 CO -0.02 0.50 -0.15 -0.36 0.00 0.00 0.00 174.94 174.91 2dml s PHE 96 N -0.47 2.78 0.00 3.97 0.40 0.33 -0.68 117.98 124.31 2dml s PHE 96 Ca 0.23 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 2dml s PHE 96 Cb -0.16 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.49 2dml s PHE 96 CO 0.11 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2dml n GLY 97 N 4.03 -1.13 0.31 4.36 0.00 -1.26 -2.07 105.19 109.44 2dml n GLY 97 Ca -0.19 0.57 -0.09 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 -0.50 -3.76 4.61 0.00 -1.91 -3.35 119.26 116.34 2dml h ALA 98 Ca 0.00 0.05 -0.66 0.00 0.00 0.00 0.00 54.91 54.30 2dml h ALA 98 Cb 0.00 1.16 -0.38 0.00 0.00 0.00 0.00 17.79 18.57 2dml h ALA 98 CO 0.00 -0.76 -0.77 1.21 0.00 0.00 0.00 179.25 178.93 2dml s ASN 99 N -4.62 4.51 0.64 0.00 2.47 -1.26 -4.94 114.94 111.73 2dml s ASN 99 Ca -0.09 -1.67 0.42 0.00 0.42 0.00 0.00 52.86 51.94 2dml s ASN 99 Cb 0.07 -1.53 2.23 0.00 -1.45 0.00 0.00 41.25 40.57 2dml s ASN 99 CO 0.44 -0.27 2.31 0.11 -3.72 0.00 0.00 177.10 175.97 2dml h LYS 100 N 7.74 0.00 0.01 0.43 1.79 -1.95 -1.04 116.57 123.54 2dml h LYS 100 Ca -0.13 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.13 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 -0.99 -0.91 -1.08 0.00 0.00 179.45 176.95 2dml h ASN 101 N 0.00 0.04 -3.02 0.86 2.35 -1.95 -3.42 115.58 110.44 2dml h ASN 101 Ca -0.00 -0.04 -0.58 0.00 -0.55 0.00 0.00 56.30 55.14 2dml h ASN 101 Cb 0.08 -0.01 -0.40 0.00 0.05 0.00 0.00 38.32 38.04 2dml h ASN 101 CO 0.00 1.00 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.46 2dml s LYS 102 N -2.78 0.68 1.08 0.81 1.02 -0.40 -5.07 119.74 115.08 2dml s LYS 102 Ca 0.00 -1.19 -0.15 0.00 0.02 0.00 0.00 55.97 54.65 2dml s LYS 102 Cb 0.10 -1.73 0.23 0.00 -0.52 0.00 0.00 37.83 35.91 2dml s LYS 102 CO 0.82 -1.08 1.10 -1.25 -0.92 0.00 0.00 175.35 174.02 2dml s PRO 103 N 1.36 -0.26 0.22 -1.68 0.04 -1.22 -4.42 135.00 129.03 2dml s PRO 103 Ca 0.13 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.50 2dml s PRO 103 Cb -0.20 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2dml s PRO 103 CO -0.17 -3.14 0.28 -1.21 0.04 0.00 0.00 177.00 172.79 2dml s GLU 104 N -5.13 3.24 -0.53 4.56 2.02 0.14 -4.88 118.70 118.12 2dml s GLU 104 Ca 0.68 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 54.56 2dml s GLU 104 Cb -0.15 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.33 2dml s GLU 104 CO 0.57 0.44 1.07 -0.51 0.02 0.00 0.00 175.26 176.85 2dml s ASP 105 N -3.74 6.47 -0.25 -0.19 1.11 -1.26 -1.84 116.67 116.97 2dml s ASP 105 Ca 0.33 0.07 -0.29 0.00 0.18 0.00 0.00 52.55 52.85 2dml s ASP 105 Cb -0.09 -2.50 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2dml s ASP 105 CO 0.27 -1.28 1.84 -0.47 1.18 0.00 0.00 175.17 176.71 2dml s TYR 106 N 4.36 1.73 -0.18 4.23 5.04 -1.22 -4.82 117.35 126.48 2dml s TYR 106 Ca 0.40 0.50 0.14 0.00 -2.44 0.00 0.00 57.07 55.67 2dml s TYR 106 Cb -0.09 -4.06 -0.21 0.00 0.35 0.00 0.00 41.96 37.95 2dml s TYR 106 CO 0.26 -3.37 0.03 0.94 -1.34 0.00 0.00 175.55 172.07 2dml n GLN 107 N 8.21 1.07 -0.58 4.97 -0.06 -1.26 -4.84 117.38 124.90 2dml n GLN 107 Ca 0.23 0.01 -0.22 0.00 -2.00 0.00 0.00 57.00 55.02 2dml n GLN 107 Cb 0.46 -1.45 0.15 0.00 -4.06 0.00 0.00 30.24 25.33 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dml n GLY 108 N 1.98 -2.51 3.68 1.69 0.00 -1.26 -4.81 105.19 103.96 2dml n GLY 108 Ca -0.30 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.90 1.67 -0.15 -0.02 0.00 -1.26 -4.89 107.32 100.78 2dml s GLY 109 Ca 0.40 0.95 -0.03 0.00 0.00 0.00 0.00 44.72 46.04 2dml s GLY 109 CO 0.41 2.77 2.62 -0.96 0.00 0.00 0.00 173.10 177.94 2dml n ARG 110 N 6.05 1.72 -5.01 2.90 1.85 -1.26 -2.31 116.66 120.59 2dml n ARG 110 Ca 0.15 -1.05 -0.32 0.00 -1.00 0.00 0.00 57.85 55.63 2dml n ARG 110 Cb 0.43 -1.63 -0.14 0.00 -1.05 0.00 0.00 32.46 30.07 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dml s THR 111 N -0.61 2.76 0.19 8.89 -4.23 -1.26 -4.69 115.64 116.69 2dml s THR 111 Ca 0.37 -0.84 0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2dml s THR 111 Cb 0.21 -2.05 0.19 0.00 1.34 0.00 0.00 72.50 72.19 2dml s THR 111 CO -0.04 0.58 0.79 0.61 -0.54 0.00 0.00 174.62 176.03 2dml n GLY 112 N 2.33 -0.38 0.00 3.99 0.00 0.02 0.08 105.19 111.23 2dml n GLY 112 Ca -0.17 0.40 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.01 -0.67 1.61 4.39 -1.92 -3.14 114.58 114.84 2dml h GLU 113 Ca 0.43 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.27 2dml h GLU 113 Cb 1.17 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.70 2dml h GLU 113 CO -0.37 -0.01 -0.14 0.00 -1.16 0.00 0.00 179.01 177.33 2dml h ALA 114 N -1.98 0.48 -0.80 3.43 0.00 -1.05 0.45 119.26 119.78 2dml h ALA 114 Ca -0.00 0.25 0.19 0.00 0.00 0.00 0.00 54.91 55.35 2dml h ALA 114 Cb 0.01 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.15 2dml h ALA 114 CO 0.00 -0.42 0.08 0.82 0.00 0.00 0.00 179.25 179.73 2dml h ILE 115 N 0.01 0.33 -0.50 0.00 2.04 0.06 0.49 117.51 119.95 2dml h ILE 115 Ca 0.33 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 66.16 2dml h ILE 115 Cb 0.51 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2dml h ILE 115 CO -0.67 0.03 0.29 0.58 0.00 0.00 0.00 178.15 178.37 2dml h VAL 116 N 0.14 1.04 -0.10 1.67 2.07 -0.86 0.77 116.25 120.99 2dml h VAL 116 Ca 0.46 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.66 2dml h VAL 116 Cb 0.84 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2dml h VAL 116 CO -0.66 0.11 -0.45 -0.78 0.02 0.00 0.00 177.57 175.80 2dml h ASP 117 N 0.58 0.24 0.15 0.57 3.58 -0.46 -2.88 116.42 118.21 2dml h ASP 117 Ca 0.20 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 2dml h ASP 117 Cb 0.03 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2dml h ASP 117 CO -0.10 0.66 -0.07 0.00 -2.88 0.00 0.00 179.24 176.85 2dml h ALA 118 N 1.35 -0.21 -0.96 -0.78 0.00 0.51 -1.84 119.26 117.33 2dml h ALA 118 Ca 0.01 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2dml h ALA 118 Cb 0.87 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 2dml h ALA 118 CO 0.07 -0.39 0.57 0.00 0.00 0.00 0.00 179.25 179.50 2dml h ALA 119 N 0.08 1.49 0.56 0.00 0.00 -0.89 -1.97 119.26 118.53 2dml h ALA 119 Ca -0.02 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dml h ALA 119 Cb 0.48 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dml h ALA 119 CO 0.03 0.06 -0.27 -0.07 0.00 0.00 0.00 179.25 179.01 2dml h LEU 120 N 0.83 -0.64 -1.17 0.00 3.38 -1.50 0.32 115.31 116.53 2dml h LEU 120 Ca 0.51 -0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.79 2dml h LEU 120 Cb 0.65 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.42 2dml h LEU 120 CO -0.32 -0.26 0.66 -1.28 0.09 0.00 0.00 178.44 177.33 2dml h SER 121 N -1.08 0.42 0.09 -0.43 0.87 -0.97 0.80 113.55 113.25 2dml h SER 121 Ca -0.08 0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2dml h SER 121 Cb 0.64 0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2dml h SER 121 CO 0.13 -0.14 -0.66 0.00 -0.53 0.00 0.00 176.83 175.63 2dml h ALA 122 N 1.76 -0.03 -0.99 6.23 0.00 -1.29 -3.26 119.26 121.68 2dml h ALA 122 Ca 0.75 -0.70 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2dml h ALA 122 Cb 1.94 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.73 2dml h ALA 122 CO -0.52 0.33 -0.54 1.25 0.00 0.00 0.00 179.25 179.77 2dml h LEU 123 N -0.57 -1.98 -1.24 0.00 7.12 0.21 0.84 115.31 119.70 2dml h LEU 123 Ca -0.13 0.32 0.04 0.00 0.13 0.00 0.00 57.88 58.25 2dml h LEU 123 Cb 1.46 0.91 -0.05 0.00 -0.53 0.00 0.00 40.66 42.45 2dml h LEU 123 CO 0.09 -0.25 0.53 0.08 -0.13 0.00 0.00 178.44 178.76 2dml h ARG 124 N -0.00 0.96 -1.24 1.25 0.11 -1.60 -2.19 114.38 111.67 2dml h ARG 124 Ca 0.21 -0.06 -0.68 0.00 0.10 0.00 0.00 59.98 59.55 2dml h ARG 124 Cb 0.46 -0.22 -0.31 0.00 1.11 0.00 0.00 29.97 31.02 2dml h ARG 124 CO -0.95 0.63 0.64 0.43 0.10 0.00 0.00 179.97 180.83 2dml n SER 125 N -4.45 7.19 0.00 0.08 7.64 0.24 -4.83 113.62 119.50 2dml n SER 125 Ca 0.11 -3.79 0.00 0.00 1.01 0.00 0.00 58.87 56.19 2dml n SER 125 Cb 0.12 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2dml n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 126 N -0.78 1.26 3.60 0.23 0.00 0.14 -4.87 105.19 104.76 2dml n GLY 126 Ca 0.57 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 2dml n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dml s PRO 127 N 0.00 -1.15 0.28 1.61 0.04 -1.26 -3.87 135.00 130.65 2dml s PRO 127 Ca 0.00 -0.04 -0.26 0.00 0.04 0.00 0.00 61.00 60.73 2dml s PRO 127 Cb 0.00 -1.60 -0.15 0.00 0.04 0.00 0.00 34.50 32.78 2dml s PRO 127 CO 0.00 -3.67 0.57 0.43 0.04 0.00 0.00 177.00 174.37 2dml n SER 128 N -4.73 -0.87 -4.35 6.66 7.64 -1.26 -4.98 113.62 111.73 2dml n SER 128 Ca 0.13 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 60.81 2dml n SER 128 Cb 0.59 -1.04 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 2dml n SER 128 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dml s SER 129 N -0.90 2.97 0.00 6.43 0.15 -1.26 -5.13 113.70 115.96 2dml s SER 129 Ca 0.62 -0.76 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2dml s SER 129 Cb -0.79 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2dml s SER 129 CO 0.58 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.73