#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 5.75 -0.05 1.61 0.01 -1.26 -4.98 113.70 114.78 2dml s SER 2 Ca 0.00 0.62 0.02 0.00 1.31 0.00 0.00 55.95 57.89 2dml s SER 2 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2dml s SER 2 CO 0.00 -1.95 -0.08 -0.94 0.41 0.00 0.00 173.24 170.68 2dml s SER 3 N 6.26 4.53 0.00 2.44 1.04 -1.26 -5.13 113.70 121.59 2dml s SER 3 Ca 0.66 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2dml s SER 3 Cb -0.15 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2dml s SER 3 CO 0.26 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.43 2dml n GLY 4 N 2.07 -0.59 3.35 7.32 0.00 -1.26 -5.02 105.19 111.06 2dml n GLY 4 Ca -0.17 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2dml n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dml s SER 5 N -1.00 5.77 0.47 1.61 0.15 -1.26 -5.08 113.70 114.36 2dml s SER 5 Ca 0.00 -1.16 -0.07 0.00 0.70 0.00 0.00 55.95 55.42 2dml s SER 5 Cb 0.00 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.23 2dml s SER 5 CO 0.00 -0.45 0.80 -0.94 1.20 0.00 0.00 173.24 173.85 2dml s SER 6 N 1.80 6.34 0.00 5.45 1.04 -1.26 -4.96 113.70 122.10 2dml s SER 6 Ca 0.02 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2dml s SER 6 Cb -0.21 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2dml s SER 6 CO 0.06 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.33 2dml n GLY 7 N -2.02 0.21 3.80 7.32 0.00 -1.26 -5.06 105.19 108.18 2dml n GLY 7 Ca 0.02 -2.25 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 2.11 0.27 4.61 0.00 -1.26 -5.09 121.76 120.41 2dml s ALA 8 Ca 0.00 -0.28 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2dml s ALA 8 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.04 2dml s ALA 8 CO 0.00 -1.88 0.59 0.14 0.00 0.00 0.00 175.76 174.60 2dml s VAL 9 N -3.18 0.00 -0.00 0.00 -7.23 -1.26 -5.16 120.40 103.57 2dml s VAL 9 Ca 0.62 -1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.36 2dml s VAL 9 Cb -0.15 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 2dml s VAL 9 CO 0.54 0.00 0.54 -0.44 -0.31 0.00 0.00 175.10 175.43 2dml s SER 10 N -2.99 6.92 0.00 4.85 0.01 -1.26 -5.04 113.70 116.19 2dml s SER 10 Ca 0.18 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2dml s SER 10 Cb -0.03 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2dml s SER 10 CO 0.09 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2dml n GLY 11 N 2.30 1.28 0.29 3.44 0.00 -1.26 -4.98 105.19 106.26 2dml n GLY 11 Ca -0.09 0.42 0.09 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 0.00 0.20-10.58 0.99 3.38 -1.96 -3.41 115.31 103.93 2dml h LEU 12 Ca 0.00 0.15 -0.47 0.00 0.09 0.00 0.00 57.88 57.64 2dml h LEU 12 Cb 0.00 0.16 0.10 0.00 0.09 0.00 0.00 40.66 41.01 2dml h LEU 12 CO 0.00 -0.00 0.40 -0.31 0.09 0.00 0.00 178.44 178.61 2dml s TYR 13 N -5.97 2.95 0.05 1.13 1.51 -1.26 -5.10 117.35 110.66 2dml s TYR 13 Ca -0.12 0.82 -0.03 0.00 -1.01 0.00 0.00 57.07 56.73 2dml s TYR 13 Cb 0.23 -3.41 -0.02 0.00 -0.11 0.00 0.00 41.96 38.65 2dml s TYR 13 CO 0.77 -1.76 0.04 -1.12 -1.11 0.00 0.00 175.55 172.36 2dml s SER 14 N -4.46 0.32 0.27 2.29 0.01 -1.26 -5.05 113.70 105.82 2dml s SER 14 Ca 0.62 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 57.07 2dml s SER 14 Cb -0.12 0.22 0.32 0.00 0.21 0.00 0.00 66.02 66.66 2dml s SER 14 CO 0.50 -0.56 1.92 0.28 0.41 0.00 0.00 173.24 175.79 2dml h SER 15 N 3.40 1.06 -0.68 2.44 0.02 -1.99 -2.76 113.55 115.05 2dml h SER 15 Ca -0.33 -0.05 0.14 0.00 -0.84 0.00 0.00 61.79 60.70 2dml h SER 15 Cb 1.17 -0.27 -0.13 0.00 0.14 0.00 0.00 62.40 63.32 2dml h SER 15 CO 0.57 0.79 -0.15 -1.28 -1.14 0.00 0.00 176.83 175.63 2dml h SER 16 N 1.23 -0.60 -1.87 3.07 0.87 -1.97 -3.41 113.55 110.87 2dml h SER 16 Ca 0.32 0.20 -0.17 0.00 -1.23 0.00 0.00 61.79 60.91 2dml h SER 16 Cb -0.09 0.41 0.10 0.00 -0.44 0.00 0.00 62.40 62.39 2dml h SER 16 CO -0.06 -0.22 -0.09 0.47 -0.53 0.00 0.00 176.83 176.40 2dml n ASP 17 N -5.44 -2.96 0.08 6.23 8.00 -1.04 -4.93 116.55 116.49 2dml n ASP 17 Ca 0.09 -0.42 -0.00 0.00 0.71 0.00 0.00 54.79 55.16 2dml n ASP 17 Cb 0.36 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.12 40.91 2dml n ASP 17 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2dml h ASP 18 N -2.75 0.00 -3.23 -2.24 5.19 -1.83 -3.46 116.42 108.10 2dml h ASP 18 Ca -0.19 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.70 2dml h ASP 18 Cb 0.64 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.20 2dml h ASP 18 CO 0.11 0.63 0.80 -0.69 -3.12 0.00 0.00 179.24 176.97 2dml s VAL 19 N -2.89 2.63 -0.23 -1.35 1.01 -1.26 -4.84 120.40 113.47 2dml s VAL 19 Ca 0.01 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 2dml s VAL 19 Cb 0.08 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 2dml s VAL 19 CO 0.78 0.07 0.49 -0.63 0.00 0.00 0.00 175.10 175.82 2dml s ILE 20 N 0.30 5.10 -0.46 2.22 1.01 -0.90 -4.64 121.20 123.83 2dml s ILE 20 Ca 0.62 0.87 -0.27 0.00 0.00 0.00 0.00 60.65 61.87 2dml s ILE 20 Cb -0.43 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2dml s ILE 20 CO 0.40 0.14 1.97 -0.70 0.00 0.00 0.00 174.94 176.76 2dml s GLU 21 N 1.92 2.80 -0.01 2.79 2.12 -1.26 -1.91 118.70 125.15 2dml s GLU 21 Ca 0.22 1.14 -0.20 0.00 0.36 0.00 0.00 54.97 56.49 2dml s GLU 21 Cb -0.15 -4.36 -0.05 0.00 0.26 0.00 0.00 34.13 29.82 2dml s GLU 21 CO 0.09 -2.49 0.58 -0.51 -0.54 0.00 0.00 175.26 172.38 2dml s LEU 22 N 8.87 4.42 0.14 2.70 1.43 -0.95 -4.92 118.68 130.36 2dml s LEU 22 Ca 0.80 1.14 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 2dml s LEU 22 Cb -0.18 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 2dml s LEU 22 CO 0.27 0.12 -0.07 0.42 0.23 0.00 0.00 176.35 177.32 2dml s THR 23 N -0.26 0.96 -1.12 5.49 -4.23 -1.26 -4.47 115.64 110.76 2dml s THR 23 Ca 0.30 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 2dml s THR 23 Cb -0.18 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.78 2dml s THR 23 CO 0.17 -0.71 0.27 -0.81 -0.54 0.00 0.00 174.62 173.00 2dml n PRO 24 N -0.18 0.49 0.00 3.99 -0.04 -1.26 0.49 135.00 138.49 2dml n PRO 24 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2dml n PRO 24 Cb 0.61 -1.22 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 0.17 4.49 0.00 3.54 7.64 -1.26 -4.80 113.62 123.40 2dml n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dml n SER 25 Cb 0.11 0.78 0.00 0.00 -1.01 0.00 0.00 64.21 64.08 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 -1.48 2.91 -0.43 6.43 6.94 -0.84 -4.76 115.26 124.03 2dml n ASN 26 Ca 0.00 -0.05 0.34 0.00 -0.02 0.00 0.00 54.58 54.86 2dml n ASN 26 Cb 0.12 0.68 0.56 0.00 -2.36 0.00 0.00 39.78 38.78 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 -0.97 0.33 0.00 -2.53 -0.00 0.18 0.21 117.46 114.68 2dml n PHE 27 Ca 0.00 0.34 -0.18 0.00 -0.00 0.00 0.00 57.45 57.61 2dml n PHE 27 Cb 0.00 -0.73 -0.14 0.00 -0.00 0.00 0.00 39.48 38.61 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 0.29 0.44 -2.13 -1.24 -1.86 -0.43 115.58 110.65 2dml h ASN 28 Ca 0.69 -0.97 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2dml h ASN 28 Cb 2.43 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 41.39 2dml h ASN 28 CO -0.22 1.24 0.00 0.54 -1.29 0.00 0.00 177.43 177.69 2dml n ARG 29 N -4.31 0.34 -0.11 6.67 5.12 0.56 0.24 116.66 125.16 2dml n ARG 29 Ca -0.12 0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 55.63 2dml n ARG 29 Cb 0.69 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.41 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 -1.28 0.46 -0.05 5.56 -0.58 0.27 -4.57 120.64 120.45 2dml n GLU 30 Ca 0.11 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 57.01 2dml n GLU 30 Cb 0.19 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 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 -4.01 0.86 -0.35 2.62 0.31 -0.19 -4.23 118.33 113.35 2dml n VAL 31 Ca -0.41 0.29 0.32 0.00 -0.01 0.00 0.00 64.34 64.52 2dml n VAL 31 Cb 0.78 -1.94 0.67 0.00 -0.91 0.00 0.00 33.84 32.45 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 0.40 -0.90 2.52 1.08 -1.20 0.91 117.51 119.79 2dml h ILE 32 Ca 0.00 -0.04 -0.49 0.00 -0.39 0.00 0.00 64.86 63.93 2dml h ILE 32 Cb 0.53 0.26 -0.28 0.00 -3.07 0.00 0.00 36.82 34.26 2dml h ILE 32 CO 0.00 0.02 0.63 0.00 -0.69 0.00 0.00 178.15 178.11 2dml n GLN 33 N -4.35 2.19 -3.81 2.37 1.13 0.65 -4.78 117.38 110.77 2dml n GLN 33 Ca 0.27 -2.76 -0.30 0.00 -1.94 0.00 0.00 57.00 52.27 2dml n GLN 33 Cb 1.18 -2.08 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 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 -1.14 4.20 0.59 1.08 0.15 0.32 -4.83 113.70 114.07 2dml s SER 34 Ca 0.53 -1.92 0.29 0.00 0.70 0.00 0.00 55.95 55.55 2dml s SER 34 Cb 0.44 -1.10 1.58 0.00 -1.71 0.00 0.00 66.02 65.22 2dml s SER 34 CO 0.08 -0.39 2.01 -0.78 1.20 0.00 0.00 173.24 175.36 2dml h ASP 35 N 7.78 0.00 0.00 5.45 1.82 -1.86 -3.41 116.42 126.19 2dml h ASP 35 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2dml h ASP 35 Cb 1.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.01 2dml h ASP 35 CO 0.49 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.73 2dml n GLY 36 N -1.44 -0.62 3.81 -0.78 0.00 -1.26 -5.05 105.19 99.85 2dml n GLY 36 Ca 0.04 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.34 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 3.97 -0.01 0.99 2.96 -1.26 -4.74 118.68 120.59 2dml s LEU 37 Ca 0.00 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.08 2dml s LEU 37 Cb 0.00 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.30 2dml s LEU 37 CO 0.00 0.25 -0.05 0.26 -1.32 0.00 0.00 176.35 175.49 2dml s TRP 38 N -1.26 0.52 -0.33 5.38 0.52 -0.94 -2.00 118.94 120.82 2dml s TRP 38 Ca 0.25 -0.10 0.04 0.00 0.02 0.00 0.00 56.10 56.31 2dml s TRP 38 Cb -0.12 -0.37 0.10 0.00 -1.15 0.00 0.00 33.47 31.93 2dml s TRP 38 CO 0.17 -0.03 0.04 -0.51 0.02 0.00 0.00 176.95 176.64 2dml s LEU 39 N 0.05 4.61 -0.20 2.99 1.43 0.60 -0.47 118.68 127.68 2dml s LEU 39 Ca -0.00 -2.10 -0.08 0.00 -1.03 0.00 0.00 54.13 50.92 2dml s LEU 39 Cb -0.04 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2dml s LEU 39 CO -0.00 -0.37 0.08 -0.69 0.23 0.00 0.00 176.35 175.60 2dml s VAL 40 N 0.94 4.89 -0.20 -1.59 1.01 -0.78 -0.95 120.40 123.72 2dml s VAL 40 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2dml s VAL 40 Cb -0.19 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2dml s VAL 40 CO -0.08 0.43 -0.17 -0.70 0.00 0.00 0.00 175.10 174.58 2dml s GLU 41 N 0.56 2.74 -0.64 2.72 2.12 -1.26 -0.04 118.70 124.90 2dml s GLU 41 Ca 0.04 -0.97 -0.27 0.00 0.36 0.00 0.00 54.97 54.13 2dml s GLU 41 Cb -0.13 -2.64 0.03 0.00 0.26 0.00 0.00 34.13 31.65 2dml s GLU 41 CO 0.01 -0.32 1.21 -0.06 -0.54 0.00 0.00 175.26 175.56 2dml s PHE 42 N 1.25 2.49 0.42 5.30 0.40 0.10 -2.53 117.98 125.41 2dml s PHE 42 Ca 0.01 0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.60 2dml s PHE 42 Cb -0.15 -4.53 -0.04 0.00 0.51 0.00 0.00 43.02 38.81 2dml s PHE 42 CO -0.11 -1.76 0.24 1.52 0.70 0.00 0.00 175.22 175.81 2dml s TYR 43 N 5.17 2.60 -0.09 0.36 -0.85 -0.61 -1.61 117.35 122.33 2dml s TYR 43 Ca 0.39 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 2dml s TYR 43 Cb -0.08 -2.02 0.03 0.00 0.38 0.00 0.00 41.96 40.27 2dml s TYR 43 CO 0.21 0.08 -0.04 0.00 -1.52 0.00 0.00 175.55 174.28 2dml s ALA 44 N -2.57 0.97 -1.89 9.51 0.00 -1.26 0.10 121.76 126.62 2dml s ALA 44 Ca 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2dml s ALA 44 Cb 0.02 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2dml s ALA 44 CO 0.24 -0.39 0.46 -0.35 0.00 0.00 0.00 175.76 175.72 2dml n PRO 45 N 4.94 0.49 -0.00 0.00 -0.04 -1.26 -1.85 135.00 137.27 2dml n PRO 45 Ca -0.11 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.36 2dml n PRO 45 Cb 0.50 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 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 -0.41 0.00 -2.25 0.54 4.27 -1.26 -5.02 117.44 113.30 2dml n TRP 46 Ca 0.00 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.36 2dml n TRP 46 Cb 0.01 -0.03 0.06 0.00 -1.36 0.00 0.00 31.31 30.00 2dml n TRP 46 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2dml n GLY 48 N -2.85 -0.28 0.50 0.00 0.00 -1.26 -3.77 105.19 97.53 2dml n GLY 48 Ca 0.08 0.00 0.24 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 0.00 0.00 0.29 1.61 -0.00 -1.96 0.33 115.15 115.42 2dml h HIS 49 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 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 -0.14 0.00 -0.00 0.00 0.00 177.93 177.79 2dml h GLN 51 N -1.06 0.00 0.00 0.00 4.20 -0.44 0.81 115.11 118.62 2dml h GLN 51 Ca -0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 2dml h GLN 51 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2dml h GLN 51 CO 0.07 0.00 -1.48 0.54 -0.67 0.00 0.00 178.83 177.29 2dml n ARG 52 N -2.24 0.63 -0.05 1.46 1.74 -1.01 -3.90 116.66 113.29 2dml n ARG 52 Ca -0.01 0.08 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 2dml n ARG 52 Cb 0.30 -1.73 0.46 0.00 -1.02 0.00 0.00 32.46 30.48 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2dml n LEU 53 N -2.67 1.21 0.07 0.55 7.94 0.28 -4.10 117.00 120.29 2dml n LEU 53 Ca -0.07 -0.49 -0.13 0.00 -1.11 0.00 0.00 56.01 54.21 2dml n LEU 53 Cb 0.71 -0.06 -0.08 0.00 0.53 0.00 0.00 43.42 44.51 2dml n LEU 53 CO 0.43 0.24 0.71 0.74 -1.11 0.00 0.00 177.39 178.40 2dml h THR 54 N 1.67 1.01 0.00 1.96 2.02 -1.61 0.14 112.91 118.10 2dml h THR 54 Ca 0.00 -0.51 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 2dml h THR 54 Cb 0.36 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2dml h THR 54 CO 0.00 0.12 -0.27 1.55 0.37 0.00 0.00 175.52 177.29 2dml h PRO 55 N -0.39 0.00 0.17 6.66 0.13 -1.84 -1.34 132.00 135.38 2dml h PRO 55 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.82 2dml h PRO 55 Cb 0.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.47 2dml h PRO 55 CO 0.03 0.27 -1.33 0.93 -0.23 0.00 0.00 178.00 177.67 2dml h GLU 56 N 0.00 0.38 0.00 0.86 4.39 -1.73 -3.00 114.58 115.49 2dml h GLU 56 Ca -0.00 -0.64 -0.25 0.00 0.34 0.00 0.00 59.36 58.80 2dml h GLU 56 Cb 0.69 0.24 0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2dml h GLU 56 CO 0.04 1.30 -1.01 2.35 -1.16 0.00 0.00 179.01 180.53 2dml h TRP 57 N 0.11 0.90 -0.25 4.33 -0.00 -0.85 -2.18 115.95 118.01 2dml h TRP 57 Ca -0.18 -0.49 -0.01 0.00 -0.00 0.00 0.00 58.89 58.21 2dml h TRP 57 Cb 2.04 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 31.09 2dml h TRP 57 CO 0.09 1.32 0.12 0.87 -0.00 0.00 0.00 178.44 180.84 2dml h LYS 58 N 0.34 0.35 -0.54 2.65 1.57 -1.35 -2.49 116.57 117.10 2dml h LYS 58 Ca -0.11 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2dml h LYS 58 Cb 1.66 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.80 2dml h LYS 58 CO 0.19 0.35 -0.18 0.87 -0.57 0.00 0.00 179.45 180.11 2dml h LYS 59 N 0.27 -0.05 -0.38 3.15 1.57 -1.60 0.22 116.57 119.75 2dml h LYS 59 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 2dml h LYS 59 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2dml h LYS 59 CO -0.01 -0.03 0.17 0.00 -0.57 0.00 0.00 179.45 179.01 2dml h ALA 60 N 1.42 1.60 -0.11 3.86 0.00 -1.57 -1.77 119.26 122.69 2dml h ALA 60 Ca 0.26 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2dml h ALA 60 Cb 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2dml h ALA 60 CO -0.58 0.33 -0.25 0.00 0.00 0.00 0.00 179.25 178.75 2dml h ALA 61 N 1.67 1.37 -0.27 0.00 0.00 -0.16 0.11 119.26 121.98 2dml h ALA 61 Ca 0.13 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2dml h ALA 61 Cb 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2dml h ALA 61 CO -0.02 0.44 -0.08 1.15 0.00 0.00 0.00 179.25 180.74 2dml h THR 62 N 0.18 1.29 -0.02 0.00 2.02 -0.30 0.52 112.91 116.60 2dml h THR 62 Ca 0.03 -1.12 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 2dml h THR 62 Cb 0.55 1.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 2dml h THR 62 CO 0.04 0.35 -0.41 0.00 0.37 0.00 0.00 175.52 175.87 2dml h ALA 63 N 0.76 0.08 -0.20 6.16 0.00 -1.36 -3.18 119.26 121.51 2dml h ALA 63 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2dml h ALA 63 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2dml h ALA 63 CO 0.03 0.22 0.00 1.28 0.00 0.00 0.00 179.25 180.78 2dml n LEU 64 N -4.37 1.18 -0.21 0.00 4.77 0.37 -4.23 117.00 114.52 2dml n LEU 64 Ca -0.10 -0.57 0.01 0.00 -0.03 0.00 0.00 56.01 55.33 2dml n LEU 64 Cb 0.57 -0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.64 2dml n LEU 64 CO 0.43 0.29 0.86 0.50 -1.33 0.00 0.00 177.39 178.13 2dml h LYS 65 N 1.34 0.15 0.00 3.23 3.64 0.08 0.72 116.57 125.74 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 0.30 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2dml h LYS 65 CO 0.00 0.10 -1.65 -0.25 -2.27 0.00 0.00 179.45 175.38 2dml n ASP 66 N -5.24 0.30 -0.01 4.20 9.92 -1.26 -4.57 116.55 119.89 2dml n ASP 66 Ca 0.09 0.11 -0.00 0.00 -0.53 0.00 0.00 54.79 54.46 2dml n ASP 66 Cb 0.36 1.45 -0.00 0.00 -0.64 0.00 0.00 41.12 42.29 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 -3.08 2.53 2.07 -1.56 -3.46 116.25 112.75 2dml h VAL 67 Ca 0.00 -0.13 -0.65 0.00 0.82 0.00 0.00 66.70 66.74 2dml h VAL 67 Cb 1.00 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 30.41 2dml h VAL 67 CO 0.00 0.00 -0.85 -0.69 0.02 0.00 0.00 177.57 176.05 2dml s VAL 68 N -1.10 1.92 -0.52 2.57 1.01 0.25 -4.66 120.40 119.86 2dml s VAL 68 Ca -0.01 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 60.86 2dml s VAL 68 Cb 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.55 2dml s VAL 68 CO 0.01 0.51 2.43 0.29 0.00 0.00 0.00 175.10 178.34 2dml n LYS 69 N 4.66 0.99 -3.03 2.72 4.76 -0.85 -4.18 118.16 123.23 2dml n LYS 69 Ca -0.20 -0.07 -0.44 0.00 -2.87 0.00 0.00 58.31 54.73 2dml n LYS 69 Cb 0.50 -3.44 -0.04 0.00 -1.84 0.00 0.00 35.03 30.21 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 12.40 4.67 0.00 -0.18 1.01 -1.26 -0.29 120.40 136.74 2dml s VAL 70 Ca 0.98 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2dml s VAL 70 Cb -0.19 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.63 2dml s VAL 70 CO 0.25 -1.24 0.00 0.61 0.00 0.00 0.00 175.10 174.72 2dml n GLY 71 N 5.29 1.02 3.51 4.51 0.00 -0.12 -2.12 105.19 117.27 2dml n GLY 71 Ca -0.06 -1.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.04 2dml n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml s ALA 72 N -2.66 -2.45 -0.13 4.61 0.00 -0.80 -4.12 121.76 116.20 2dml s ALA 72 Ca 0.00 2.16 0.01 0.00 0.00 0.00 0.00 51.96 54.13 2dml s ALA 72 Cb 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 2dml s ALA 72 CO 0.00 -0.77 -0.17 0.08 0.00 0.00 0.00 175.76 174.90 2dml s VAL 73 N 2.21 2.58 -0.89 0.00 1.01 -1.05 -2.24 120.40 122.01 2dml s VAL 73 Ca -0.05 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2dml s VAL 73 Cb -0.06 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2dml s VAL 73 CO -0.17 0.53 1.47 0.21 0.00 0.00 0.00 175.10 177.14 2dml s ASN 74 N 0.56 6.17 0.38 3.32 2.47 -1.26 -1.57 114.94 125.01 2dml s ASN 74 Ca -0.10 -0.92 0.18 0.00 0.42 0.00 0.00 52.86 52.44 2dml s ASN 74 Cb -0.16 -2.56 1.14 0.00 -1.45 0.00 0.00 41.25 38.21 2dml s ASN 74 CO 0.04 -1.80 1.70 0.00 -3.72 0.00 0.00 177.10 173.31 2dml h ALA 75 N 10.36 2.18 -0.49 1.71 0.00 -0.62 1.10 119.26 133.51 2dml h ALA 75 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dml h ALA 75 Cb 1.03 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2dml h ALA 75 CO 1.34 -0.72 0.25 0.22 0.00 0.00 0.00 179.25 180.34 2dml h ASP 76 N 0.33 0.62 0.00 0.00 3.58 -1.89 -0.81 116.42 118.26 2dml h ASP 76 Ca 0.70 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 58.04 2dml h ASP 76 Cb 1.76 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 2dml h ASP 76 CO -0.46 0.56 -0.20 0.50 -2.88 0.00 0.00 179.24 176.76 2dml h LYS 77 N 0.64 0.00 -1.89 0.28 3.64 -0.63 -3.36 116.57 115.26 2dml h LYS 77 Ca 0.17 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2dml h LYS 77 Cb 0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2dml h LYS 77 CO -0.02 0.05 0.09 0.72 -2.27 0.00 0.00 179.45 178.02 2dml n HIS 78 N -4.71 0.38 -0.58 1.91 8.25 0.34 -4.57 115.22 116.23 2dml n HIS 78 Ca -0.03 -1.25 0.46 0.00 -0.26 0.00 0.00 57.72 56.64 2dml n HIS 78 Cb 0.12 -0.63 0.75 0.00 1.12 0.00 0.00 29.99 31.35 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 1.16 0.02 0.19 -0.41 1.08 -1.28 0.53 115.11 116.40 2dml h GLN 79 Ca 0.07 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2dml h GLN 79 Cb 0.99 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.42 2dml h GLN 79 CO 0.19 0.01 -0.09 0.77 -0.95 0.00 0.00 178.83 178.76 2dml h SER 80 N 0.02 -0.22 -0.28 1.46 0.02 -1.84 -0.37 113.55 112.35 2dml h SER 80 Ca 0.88 -0.14 0.06 0.00 -0.84 0.00 0.00 61.79 61.76 2dml h SER 80 Cb 3.24 0.06 -0.07 0.00 0.14 0.00 0.00 62.40 65.77 2dml h SER 80 CO -0.20 0.01 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.27 2dml h LEU 81 N -0.44 -0.54 0.59 5.07 3.38 -0.32 0.66 115.31 123.71 2dml h LEU 81 Ca -0.03 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2dml h LEU 81 Cb 0.34 0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2dml h LEU 81 CO 0.04 -0.20 -0.28 1.23 0.09 0.00 0.00 178.44 179.32 2dml h GLY 82 N -0.13 -0.82 2.00 0.83 0.00 -1.46 -2.69 103.07 100.79 2dml h GLY 82 Ca 0.15 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2dml h GLY 82 CO -0.36 -0.30 -0.03 -1.33 0.00 0.00 0.00 176.54 174.52 2dml h GLY 83 N -0.85 0.00 2.00 4.60 0.00 -0.84 -0.34 103.07 107.64 2dml h GLY 83 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2dml h GLY 83 CO 0.13 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.49 2dml n GLN 84 N -3.41 0.00 -0.05 4.80 7.27 0.23 -3.52 117.38 122.70 2dml n GLN 84 Ca -0.02 0.14 -0.07 0.00 0.07 0.00 0.00 57.00 57.12 2dml n GLN 84 Cb 0.15 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.25 2dml n GLN 84 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2dml n TYR 85 N -1.50 0.00 0.00 3.69 4.02 -0.25 -5.03 117.16 118.08 2dml n TYR 85 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2dml n TYR 85 Cb 0.24 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 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 2.99 0.84 3.69 2.72 0.00 -0.52 -5.10 105.19 109.81 2dml n GLY 86 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.84 3.61 -0.13 1.61 1.01 -0.77 -4.89 120.40 120.01 2dml s VAL 87 Ca 0.00 1.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 2dml s VAL 87 Cb 0.00 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 2dml s VAL 87 CO 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 175.10 174.96 2dml n GLN 88 N 5.41 0.29 -3.90 2.72 6.02 -1.26 -4.56 117.38 122.10 2dml n GLN 88 Ca 0.14 0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 57.08 2dml n GLN 88 Cb 0.43 -1.09 -0.15 0.00 1.02 0.00 0.00 30.24 30.46 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 -5.21 0.10 0.27 1.08 0.00 -1.26 -5.16 107.32 97.15 2dml s GLY 89 Ca -0.17 0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.66 2dml s GLY 89 CO 0.25 0.24 0.41 -1.36 0.00 0.00 0.00 173.10 172.64 2dml s PHE 90 N 0.41 3.39 0.48 1.90 0.08 -1.26 -4.11 117.98 118.86 2dml s PHE 90 Ca -0.04 -0.01 -0.22 0.00 0.12 0.00 0.00 56.93 56.78 2dml s PHE 90 Cb -0.06 -1.70 -0.07 0.00 -0.57 0.00 0.00 43.02 40.62 2dml s PHE 90 CO -0.01 0.31 1.16 -1.25 -0.10 0.00 0.00 175.22 175.32 2dml s PRO 91 N -4.06 3.68 -0.31 0.24 0.04 -1.26 -4.90 135.00 128.43 2dml s PRO 91 Ca 0.37 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 2dml s PRO 91 Cb -0.09 -2.32 0.10 0.00 0.04 0.00 0.00 34.50 32.22 2dml s PRO 91 CO 0.30 -0.61 0.09 0.99 0.04 0.00 0.00 177.00 177.81 2dml s THR 92 N -1.59 0.99 0.08 1.26 2.01 -0.63 -4.98 115.64 112.78 2dml s THR 92 Ca 0.65 -1.43 -0.21 0.00 0.31 0.00 0.00 61.69 61.01 2dml s THR 92 Cb -0.28 -1.73 -0.07 0.00 0.01 0.00 0.00 72.50 70.44 2dml s THR 92 CO 0.33 -0.63 0.63 -0.63 -0.69 0.00 0.00 174.62 173.63 2dml s ILE 93 N 1.56 4.67 -0.03 1.82 1.01 -1.26 0.03 121.20 129.00 2dml s ILE 93 Ca 0.09 1.35 0.01 0.00 0.00 0.00 0.00 60.65 62.10 2dml s ILE 93 Cb -0.17 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.35 2dml s ILE 93 CO -0.23 0.52 -0.04 -0.54 0.00 0.00 0.00 174.94 174.66 2dml s LYS 94 N -0.95 0.67 -0.05 2.79 -0.14 0.94 -3.01 119.74 119.99 2dml s LYS 94 Ca 0.31 -0.10 -0.14 0.00 -1.36 0.00 0.00 55.97 54.69 2dml s LYS 94 Cb -0.20 -0.70 -0.05 0.00 -1.68 0.00 0.00 37.83 35.20 2dml s LYS 94 CO 0.21 -0.04 0.35 0.42 -0.76 0.00 0.00 175.35 175.53 2dml s ILE 95 N 0.70 5.15 -0.14 2.17 1.01 -0.84 -1.86 121.20 127.39 2dml s ILE 95 Ca -0.09 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.28 2dml s ILE 95 Cb -0.12 -3.66 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 2dml s ILE 95 CO -0.00 0.55 -0.18 -0.36 0.00 0.00 0.00 174.94 174.95 2dml s PHE 96 N -0.78 2.72 0.00 3.97 0.40 0.38 -0.74 117.98 123.92 2dml s PHE 96 Ca 0.22 -1.06 0.00 0.00 -0.60 0.00 0.00 56.93 55.48 2dml s PHE 96 Cb -0.15 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.54 2dml s PHE 96 CO 0.10 -0.46 0.00 0.41 0.70 0.00 0.00 175.22 175.97 2dml n GLY 97 N 3.89 -1.18 0.02 4.36 0.00 -1.26 -2.21 105.19 108.81 2dml n GLY 97 Ca -0.19 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.09 -3.18 4.61 0.00 -1.93 -3.32 119.26 117.35 2dml h ALA 98 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 2dml h ALA 98 Cb 0.00 0.95 -0.35 0.00 0.00 0.00 0.00 17.79 18.39 2dml h ALA 98 CO 0.00 -0.11 -0.54 1.21 0.00 0.00 0.00 179.25 179.81 2dml s ASN 99 N -3.04 5.21 0.65 0.00 2.47 -1.26 -4.94 114.94 114.04 2dml s ASN 99 Ca -0.01 -2.14 0.32 0.00 0.42 0.00 0.00 52.86 51.45 2dml s ASN 99 Cb 0.00 -1.82 1.75 0.00 -1.45 0.00 0.00 41.25 39.73 2dml s ASN 99 CO 0.03 -0.51 2.00 0.11 -3.72 0.00 0.00 177.10 175.01 2dml h LYS 100 N 7.89 0.00 0.00 0.43 1.79 -1.96 0.37 116.57 125.09 2dml h LYS 100 Ca -0.11 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.17 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 0.69 0.00 -0.92 -0.91 -1.08 0.00 0.00 179.45 177.23 2dml h ASN 101 N 0.00 0.00 -3.03 0.86 2.35 -1.94 -3.42 115.58 110.40 2dml h ASN 101 Ca 0.02 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.19 2dml h ASN 101 Cb 0.59 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.56 2dml h ASN 101 CO -0.00 0.88 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.34 2dml s LYS 102 N -2.77 0.70 1.06 0.81 1.02 0.13 -5.09 119.74 115.61 2dml s LYS 102 Ca 0.01 -1.24 -0.14 0.00 0.02 0.00 0.00 55.97 54.62 2dml s LYS 102 Cb 0.09 -1.75 0.22 0.00 -0.52 0.00 0.00 37.83 35.87 2dml s LYS 102 CO 0.80 -1.08 1.10 -1.25 -0.92 0.00 0.00 175.35 174.00 2dml s PRO 103 N 1.29 -0.07 0.17 -1.68 0.04 -1.22 -4.37 135.00 129.16 2dml s PRO 103 Ca 0.13 0.34 0.03 0.00 0.04 0.00 0.00 61.00 61.55 2dml s PRO 103 Cb -0.20 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 2dml s PRO 103 CO -0.15 -3.03 0.29 -1.21 0.04 0.00 0.00 177.00 172.93 2dml s GLU 104 N -5.08 3.39 -0.41 4.56 0.41 0.08 -4.89 118.70 116.76 2dml s GLU 104 Ca 0.67 -0.67 -0.29 0.00 -0.41 0.00 0.00 54.97 54.27 2dml s GLU 104 Cb -0.16 -2.91 0.02 0.00 -1.78 0.00 0.00 34.13 29.29 2dml s GLU 104 CO 0.57 0.50 1.27 -0.51 -0.49 0.00 0.00 175.26 176.60 2dml s ASP 105 N -3.40 6.54 -0.48 -0.19 1.11 -1.26 -1.98 116.67 117.01 2dml s ASP 105 Ca 0.34 0.78 -0.27 0.00 0.18 0.00 0.00 52.55 53.59 2dml s ASP 105 Cb -0.10 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.29 2dml s ASP 105 CO 0.28 -1.27 2.18 -0.47 1.18 0.00 0.00 175.17 177.07 2dml s TYR 106 N 4.78 1.31 -0.53 4.23 6.14 -1.16 -4.83 117.35 127.29 2dml s TYR 106 Ca 0.55 1.15 0.03 0.00 0.64 0.00 0.00 57.07 59.43 2dml s TYR 106 Cb -0.12 -3.81 0.42 0.00 0.42 0.00 0.00 41.96 38.87 2dml s TYR 106 CO 0.29 -2.69 1.51 1.04 0.64 0.00 0.00 175.55 176.35 2dml n GLN 107 N 8.98 3.19 -4.68 4.97 1.13 -1.26 -4.85 117.38 124.85 2dml n GLN 107 Ca 0.30 -3.96 -0.30 0.00 -1.94 0.00 0.00 57.00 51.09 2dml n GLN 107 Cb 0.52 -2.27 -0.08 0.00 0.11 0.00 0.00 30.24 28.52 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2dml s GLY 108 N -2.69 2.84 0.37 1.08 0.00 -1.26 -5.10 107.32 102.56 2dml s GLY 108 Ca 0.53 -0.89 -0.26 0.00 0.00 0.00 0.00 44.72 44.11 2dml s GLY 108 CO -0.14 -2.10 1.00 0.61 0.00 0.00 0.00 173.10 172.47 2dml n GLY 109 N -1.13 -0.24 2.24 0.20 0.00 -1.26 -4.88 105.19 100.12 2dml n GLY 109 Ca -0.14 0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 0.40 2.50 -4.89 1.61 1.74 -1.26 -3.74 116.66 113.02 2dml n ARG 110 Ca 0.09 -2.94 -0.26 0.00 -0.77 0.00 0.00 57.85 53.98 2dml n ARG 110 Cb 0.37 -2.15 -0.16 0.00 -1.02 0.00 0.00 32.46 29.50 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 -4.28 1.46 0.28 0.55 -4.23 -1.26 -4.88 115.64 103.28 2dml s THR 111 Ca 0.58 -0.78 0.18 0.00 -1.18 0.00 0.00 61.69 60.49 2dml s THR 111 Cb 0.46 -1.22 0.29 0.00 1.34 0.00 0.00 72.50 73.36 2dml s THR 111 CO -0.01 0.42 1.13 0.61 -0.54 0.00 0.00 174.62 176.23 2dml n GLY 112 N 2.71 -0.56 0.23 3.99 0.00 -0.82 0.54 105.19 111.28 2dml n GLY 112 Ca -0.15 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 2dml n GLY 112 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dml h GLU 113 N 0.00 -0.49 -0.21 1.61 5.08 -1.95 -2.83 114.58 115.79 2dml h GLU 113 Ca 0.62 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 59.07 2dml h GLU 113 Cb 1.78 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 31.07 2dml h GLU 113 CO -0.48 -0.19 -0.23 0.00 -1.00 0.00 0.00 179.01 177.11 2dml h ALA 114 N -0.69 -0.14 -0.75 3.43 0.00 -0.18 -1.60 119.26 119.34 2dml h ALA 114 Ca -0.05 0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.09 2dml h ALA 114 Cb 0.53 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 2dml h ALA 114 CO 0.09 -0.67 0.18 0.82 0.00 0.00 0.00 179.25 179.67 2dml h ILE 115 N -0.25 0.50 -0.77 0.00 2.04 -1.18 0.12 117.51 117.97 2dml h ILE 115 Ca 0.13 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.97 2dml h ILE 115 Cb 0.45 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 2dml h ILE 115 CO -0.36 0.05 0.44 0.58 0.00 0.00 0.00 178.15 178.86 2dml h VAL 116 N 0.27 0.94 -0.01 1.67 2.07 -1.04 0.84 116.25 121.00 2dml h VAL 116 Ca 0.42 -0.26 -0.13 0.00 0.82 0.00 0.00 66.70 67.55 2dml h VAL 116 Cb 0.73 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 2dml h VAL 116 CO -0.52 0.14 -0.59 -0.78 0.02 0.00 0.00 177.57 175.84 2dml h ASP 117 N 0.77 0.03 -0.05 0.57 1.82 -0.48 -2.90 116.42 116.18 2dml h ASP 117 Ca 0.36 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.95 2dml h ASP 117 Cb 0.28 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.28 2dml h ASP 117 CO -0.22 0.62 -0.07 0.00 -1.61 0.00 0.00 179.24 177.96 2dml h ALA 118 N 1.38 0.08 -0.85 -0.78 0.00 0.47 -2.25 119.26 117.32 2dml h ALA 118 Ca -0.01 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 54.67 2dml h ALA 118 Cb 1.05 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2dml h ALA 118 CO 0.08 -0.10 0.53 0.00 0.00 0.00 0.00 179.25 179.76 2dml h ALA 119 N 0.52 1.15 0.81 0.00 0.00 -0.91 -2.53 119.26 118.31 2dml h ALA 119 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2dml h ALA 119 Cb 0.60 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dml h ALA 119 CO 0.02 0.30 -0.39 -0.07 0.00 0.00 0.00 179.25 179.10 2dml h LEU 120 N 0.98 -0.92 -0.98 0.00 3.38 -1.52 0.18 115.31 116.43 2dml h LEU 120 Ca 0.36 0.03 0.32 0.00 0.09 0.00 0.00 57.88 58.69 2dml h LEU 120 Cb 0.13 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 40.95 2dml h LEU 120 CO -0.16 -0.56 0.31 -1.28 0.09 0.00 0.00 178.44 176.84 2dml h SER 121 N -1.29 -0.00 0.06 -0.43 0.87 -1.28 0.64 113.55 112.11 2dml h SER 121 Ca -0.11 0.25 -0.26 0.00 -1.23 0.00 0.00 61.79 60.43 2dml h SER 121 Cb 0.84 0.33 0.02 0.00 -0.44 0.00 0.00 62.40 63.15 2dml h SER 121 CO 0.18 -0.33 -1.05 0.00 -0.53 0.00 0.00 176.83 175.11 2dml h ALA 122 N 1.94 0.15 -0.41 6.23 0.00 -1.36 -3.22 119.26 122.60 2dml h ALA 122 Ca 0.70 -0.71 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2dml h ALA 122 Cb 1.63 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.39 2dml h ALA 122 CO -0.79 0.71 -0.09 1.25 0.00 0.00 0.00 179.25 180.33 2dml h LEU 123 N 0.36 -0.35 0.00 0.00 7.12 0.34 0.58 115.31 123.36 2dml h LEU 123 Ca -0.13 0.12 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2dml h LEU 123 Cb 1.70 0.24 0.00 0.00 -0.53 0.00 0.00 40.66 42.07 2dml h LEU 123 CO 0.20 -0.12 0.00 -2.11 -0.13 0.00 0.00 178.44 176.28 2dml n ARG 124 N -5.30 0.53 -0.10 1.25 1.85 -0.47 -3.49 116.66 110.93 2dml n ARG 124 Ca 0.02 0.03 -0.13 0.00 -1.00 0.00 0.00 57.85 56.77 2dml n ARG 124 Cb 0.22 -1.50 -0.04 0.00 -1.05 0.00 0.00 32.46 30.09 2dml n ARG 124 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2dml n SER 125 N -1.08 1.94 0.00 2.89 2.88 0.17 -5.00 113.62 115.42 2dml n SER 125 Ca 0.13 0.33 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2dml n SER 125 Cb 0.09 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 2dml n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dml n GLY 126 N 1.43 2.48 3.14 0.46 0.00 0.67 -4.56 105.19 108.81 2dml n GLY 126 Ca -0.22 0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 2dml n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dml n PRO 127 N 14.00 -2.93 -0.10 1.61 -0.04 -1.26 -4.31 135.00 141.97 2dml n PRO 127 Ca 0.00 -1.57 -0.17 0.00 -0.04 0.00 0.00 63.50 61.72 2dml n PRO 127 Cb 0.00 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 31.90 2dml n PRO 127 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dml n SER 128 N -4.68 2.18 0.09 3.54 7.64 -1.26 -4.75 113.62 116.37 2dml n SER 128 Ca 0.14 -0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.96 2dml n SER 128 Cb 0.53 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 2dml n SER 128 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2dml h SER 129 N -0.22 -0.26 0.00 6.43 0.02 -1.96 -3.54 113.55 114.03 2dml h SER 129 Ca -0.48 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 2dml h SER 129 Cb 1.64 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.25 2dml h SER 129 CO -0.14 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.29