#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml n SER 2 N 0.00 7.46 -4.46 1.61 2.88 -1.26 -5.00 113.62 114.85 2dml n SER 2 Ca 0.00 -3.81 -0.54 0.00 -1.33 0.00 0.00 58.87 53.20 2dml n SER 2 Cb 0.00 -0.98 -0.08 0.00 -0.75 0.00 0.00 64.21 62.40 2dml n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dml n SER 3 N -0.74 1.92 -3.20 -3.46 2.88 -1.26 -4.87 113.62 104.90 2dml n SER 3 Ca 0.58 0.59 0.04 0.00 -1.33 0.00 0.00 58.87 58.75 2dml n SER 3 Cb 0.49 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.75 2dml n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dml s GLY 4 N 6.35 0.02 0.14 0.46 0.00 -1.26 -5.15 107.32 107.87 2dml s GLY 4 Ca 1.09 3.29 -0.14 0.00 0.00 0.00 0.00 44.72 48.97 2dml s GLY 4 CO 0.55 3.59 0.37 -0.56 0.00 0.00 0.00 173.10 177.06 2dml s SER 5 N 2.51 -0.14 -1.53 1.64 0.01 -1.26 -4.92 113.70 110.01 2dml s SER 5 Ca -0.03 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 56.63 2dml s SER 5 Cb -0.05 0.46 0.08 0.00 0.21 0.00 0.00 66.02 66.73 2dml s SER 5 CO -0.13 -0.87 0.86 -1.20 0.41 0.00 0.00 173.24 172.31 2dml n SER 6 N -0.22 -3.66 -0.18 2.44 7.64 -1.26 -4.95 113.62 113.43 2dml n SER 6 Ca -0.14 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2dml n SER 6 Cb 0.63 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.21 2dml n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 7 N -1.65 6.69 3.92 0.23 0.00 -1.26 -5.16 105.19 107.97 2dml n GLY 7 Ca -0.03 -1.86 -0.28 0.00 0.00 0.00 0.00 46.02 43.85 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 2.67 0.00 4.61 0.00 -1.26 -5.03 121.76 120.74 2dml s ALA 8 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2dml s ALA 8 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.32 2dml s ALA 8 CO 0.00 -1.83 0.00 1.55 0.00 0.00 0.00 175.76 175.48 2dml n VAL 9 N -3.36 0.00 -3.54 0.00 3.14 -1.26 -5.09 118.33 108.22 2dml n VAL 9 Ca 0.10 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.33 2dml n VAL 9 Cb 0.60 -0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 32.34 2dml n VAL 9 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2dml s SER 10 N -2.97 -0.56 0.00 6.55 0.01 -1.26 -5.10 113.70 110.37 2dml s SER 10 Ca 0.00 0.63 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2dml s SER 10 Cb 0.00 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2dml s SER 10 CO 0.00 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.76 2dml n GLY 11 N 0.90 0.22 0.14 3.44 0.00 -1.26 -5.00 105.19 103.64 2dml n GLY 11 Ca -0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 2.63 -4.79 0.99 4.77 -1.26 -4.91 117.00 114.43 2dml n LEU 12 Ca 0.00 0.21 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 2dml n LEU 12 Cb 0.00 -1.11 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 2dml n LEU 12 CO 0.00 0.84 0.52 -0.31 -1.33 0.00 0.00 177.39 177.11 2dml s TYR 13 N -2.55 3.77 -0.08 -1.77 1.51 -1.26 -5.07 117.35 111.90 2dml s TYR 13 Ca -0.23 1.61 0.03 0.00 -1.01 0.00 0.00 57.07 57.47 2dml s TYR 13 Cb 0.07 -2.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.12 2dml s TYR 13 CO 0.76 0.37 -0.16 -1.54 -1.11 0.00 0.00 175.55 173.86 2dml s SER 14 N -1.45 3.79 0.41 2.29 1.04 -1.26 -4.96 113.70 113.55 2dml s SER 14 Ca 0.43 -0.32 0.35 0.00 0.48 0.00 0.00 55.95 56.89 2dml s SER 14 Cb -0.20 -1.12 1.30 0.00 0.10 0.00 0.00 66.02 66.10 2dml s SER 14 CO 0.24 0.26 1.22 -0.24 0.98 0.00 0.00 173.24 175.70 2dml n SER 15 N 2.90 0.05 -0.05 7.02 2.88 -1.26 0.10 113.62 125.26 2dml n SER 15 Ca -0.18 0.87 -0.08 0.00 -1.33 0.00 0.00 58.87 58.16 2dml n SER 15 Cb 0.52 -0.43 -0.01 0.00 -0.75 0.00 0.00 64.21 63.54 2dml n SER 15 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dml h SER 16 N 0.00 -0.51 -3.10 -3.46 0.87 -1.93 -3.43 113.55 101.99 2dml h SER 16 Ca 0.72 0.11 -0.49 0.00 -1.23 0.00 0.00 61.79 60.91 2dml h SER 16 Cb 2.74 0.27 0.22 0.00 -0.44 0.00 0.00 62.40 65.18 2dml h SER 16 CO -0.12 -0.20 -0.55 -0.90 -0.53 0.00 0.00 176.83 174.54 2dml n ASP 17 N -5.32 -1.80 0.00 6.23 5.68 0.29 -4.85 116.55 116.77 2dml n ASP 17 Ca -0.01 0.09 0.13 0.00 -0.50 0.00 0.00 54.79 54.50 2dml n ASP 17 Cb 0.23 -1.16 0.69 0.00 -1.14 0.00 0.00 41.12 39.74 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 2dml n ASP 18 N -2.53 0.00 -4.70 -1.12 9.92 -1.26 -4.78 116.55 112.08 2dml n ASP 18 Ca 0.05 -0.32 -0.42 0.00 -0.53 0.00 0.00 54.79 53.57 2dml n ASP 18 Cb 0.57 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.39 4.48 -0.25 2.53 1.01 -1.26 -4.71 120.40 119.80 2dml s VAL 19 Ca 0.29 1.78 -0.25 0.00 0.00 0.00 0.00 61.98 63.80 2dml s VAL 19 Cb 0.17 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.41 2dml s VAL 19 CO 0.36 0.09 0.85 -0.63 0.00 0.00 0.00 175.10 175.77 2dml s ILE 20 N 1.42 4.81 -0.79 2.22 1.01 -0.64 -4.79 121.20 124.44 2dml s ILE 20 Ca 0.54 1.55 -0.25 0.00 0.00 0.00 0.00 60.65 62.49 2dml s ILE 20 Cb -0.24 -4.15 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 2dml s ILE 20 CO 0.26 -0.12 2.08 -0.70 0.00 0.00 0.00 174.94 176.46 2dml s GLU 21 N 2.92 2.29 0.15 2.79 2.56 -1.26 -1.95 118.70 126.19 2dml s GLU 21 Ca 0.35 0.20 -0.30 0.00 0.00 0.00 0.00 54.97 55.23 2dml s GLU 21 Cb -0.15 -4.83 -0.07 0.00 2.00 0.00 0.00 34.13 31.08 2dml s GLU 21 CO 0.08 -3.52 1.03 -0.51 -0.56 0.00 0.00 175.26 171.79 2dml s LEU 22 N 11.24 4.50 0.16 2.70 1.43 -1.10 -4.94 118.68 132.66 2dml s LEU 22 Ca 0.77 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 2dml s LEU 22 Cb -0.10 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 2dml s LEU 22 CO 0.07 -0.14 -0.07 0.42 0.23 0.00 0.00 176.35 176.86 2dml s THR 23 N -0.14 1.06 -1.19 5.49 -4.23 -1.26 -4.47 115.64 110.89 2dml s THR 23 Ca 0.48 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.95 2dml s THR 23 Cb -0.26 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.64 2dml s THR 23 CO 0.32 -0.67 0.29 -0.81 -0.54 0.00 0.00 174.62 173.21 2dml n PRO 24 N -0.22 0.49 0.00 3.99 -0.04 -1.26 0.47 135.00 138.43 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 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.11 4.27 0.00 3.54 7.64 -1.26 -4.78 113.62 123.14 2dml n SER 25 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dml n SER 25 Cb 0.10 0.78 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 -1.37 1.53 -0.51 6.43 6.94 -0.82 -4.74 115.26 122.72 2dml n ASN 26 Ca 0.00 -0.19 0.43 0.00 -0.02 0.00 0.00 54.58 54.80 2dml n ASN 26 Cb 0.08 0.69 0.68 0.00 -2.36 0.00 0.00 39.78 38.86 2dml n ASN 26 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 2dml h PHE 27 N 0.00 0.00 0.14 -2.53 3.04 -0.29 1.43 116.94 118.74 2dml h PHE 27 Ca 0.00 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.61 2dml h PHE 27 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 2dml h PHE 27 CO 0.00 0.00 -1.80 -0.97 -2.02 0.00 0.00 178.31 173.52 2dml h ASN 28 N 0.00 0.46 0.57 0.41 -1.24 -1.85 -1.97 115.58 111.96 2dml h ASN 28 Ca 0.76 -0.92 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2dml h ASN 28 Cb 3.42 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 42.32 2dml h ASN 28 CO -0.01 1.79 0.00 0.54 -1.29 0.00 0.00 177.43 178.46 2dml n ARG 29 N -3.63 0.39 -0.09 6.67 3.00 0.41 0.24 116.66 123.66 2dml n ARG 29 Ca -0.29 0.01 -0.18 0.00 -0.01 0.00 0.00 57.85 57.38 2dml n ARG 29 Cb 1.02 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.92 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2dml n GLU 30 N -1.30 0.37 -0.04 5.56 -0.58 0.30 -4.56 120.64 120.39 2dml n GLU 30 Ca 0.13 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.24 -1.12 -0.01 0.00 -0.57 0.00 0.00 31.44 29.97 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 -3.80 0.77 -0.28 2.62 0.31 -0.76 -4.05 118.33 113.14 2dml n VAL 31 Ca -0.33 0.32 0.25 0.00 -0.01 0.00 0.00 64.34 64.57 2dml n VAL 31 Cb 0.73 -1.95 0.59 0.00 -0.91 0.00 0.00 33.84 32.30 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 -0.83 2.52 1.08 -1.26 0.60 117.51 119.64 2dml h ILE 32 Ca 0.00 -0.09 -0.44 0.00 -0.39 0.00 0.00 64.86 63.95 2dml h ILE 32 Cb 0.46 0.26 -0.26 0.00 -3.07 0.00 0.00 36.82 34.22 2dml h ILE 32 CO 0.00 0.05 0.55 0.00 -0.69 0.00 0.00 178.15 178.06 2dml n GLN 33 N -4.46 2.05 -3.78 2.37 1.13 0.67 -4.76 117.38 110.60 2dml n GLN 33 Ca 0.23 -2.51 -0.30 0.00 -1.94 0.00 0.00 57.00 52.48 2dml n GLN 33 Cb 0.92 -1.98 -0.15 0.00 0.11 0.00 0.00 30.24 29.14 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 -0.92 4.10 0.53 1.08 0.15 0.21 -4.80 113.70 114.05 2dml s SER 34 Ca 0.48 -1.89 0.32 0.00 0.70 0.00 0.00 55.95 55.56 2dml s SER 34 Cb 0.40 -1.02 1.47 0.00 -1.71 0.00 0.00 66.02 65.16 2dml s SER 34 CO 0.09 -0.39 1.87 -2.24 1.20 0.00 0.00 173.24 173.77 2dml h ASP 35 N 7.79 0.03 -3.39 5.45 3.04 -1.86 -3.41 116.42 124.07 2dml h ASP 35 Ca -0.10 0.00 -0.37 0.00 -3.24 0.00 0.00 57.03 53.32 2dml h ASP 35 Cb 1.00 -0.00 0.17 0.00 -1.04 0.00 0.00 39.33 39.46 2dml h ASP 35 CO 0.48 0.01 0.22 0.61 -2.04 0.00 0.00 179.24 178.52 2dml n GLY 36 N -1.71 -2.23 3.81 7.15 0.00 -1.26 -5.00 105.19 105.95 2dml n GLY 36 Ca 0.20 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 2dml n GLY 36 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dml s LEU 37 N 0.00 3.88 -0.04 0.99 2.96 -1.26 -4.77 118.68 120.44 2dml s LEU 37 Ca 0.66 1.80 -0.01 0.00 -0.22 0.00 0.00 54.13 56.36 2dml s LEU 37 Cb -0.04 -4.55 0.03 0.00 0.50 0.00 0.00 46.19 42.13 2dml s LEU 37 CO 0.49 -0.57 0.04 0.26 -1.32 0.00 0.00 176.35 175.25 2dml s TRP 38 N -2.11 0.16 -0.48 5.38 0.52 -0.64 -2.37 118.94 119.40 2dml s TRP 38 Ca 0.64 0.15 -0.12 0.00 0.02 0.00 0.00 56.10 56.79 2dml s TRP 38 Cb -0.12 -0.46 0.11 0.00 -1.15 0.00 0.00 33.47 31.85 2dml s TRP 38 CO 0.17 -0.18 0.38 -0.51 0.02 0.00 0.00 176.95 176.84 2dml s LEU 39 N 1.75 5.73 -0.26 2.99 1.43 0.98 0.00 118.68 131.30 2dml s LEU 39 Ca -0.00 -1.70 -0.10 0.00 -1.03 0.00 0.00 54.13 51.30 2dml s LEU 39 Cb -0.12 -2.10 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2dml s LEU 39 CO -0.03 -0.71 0.16 -0.69 0.23 0.00 0.00 176.35 175.32 2dml s VAL 40 N 1.49 5.17 -0.20 -1.59 1.01 -0.19 -1.68 120.40 124.40 2dml s VAL 40 Ca 0.04 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2dml s VAL 40 Cb -0.26 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2dml s VAL 40 CO 0.02 0.29 -0.07 -0.70 0.00 0.00 0.00 175.10 174.64 2dml s GLU 41 N 1.55 3.36 -0.61 2.72 2.12 -1.26 0.11 118.70 126.69 2dml s GLU 41 Ca 0.07 -0.65 -0.21 0.00 0.36 0.00 0.00 54.97 54.54 2dml s GLU 41 Cb -0.15 -2.91 0.07 0.00 0.26 0.00 0.00 34.13 31.40 2dml s GLU 41 CO 0.08 -0.12 0.85 -0.06 -0.54 0.00 0.00 175.26 175.48 2dml s PHE 42 N 1.24 2.82 0.49 5.30 0.40 0.66 -2.22 117.98 126.67 2dml s PHE 42 Ca 0.03 -0.60 0.07 0.00 -0.60 0.00 0.00 56.93 55.83 2dml s PHE 42 Cb -0.14 -4.10 0.02 0.00 0.51 0.00 0.00 43.02 39.31 2dml s PHE 42 CO -0.03 -1.44 0.43 1.52 0.70 0.00 0.00 175.22 176.40 2dml s TYR 43 N 3.50 2.07 -0.07 0.36 -0.85 -1.09 -1.90 117.35 119.36 2dml s TYR 43 Ca 0.19 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 56.06 2dml s TYR 43 Cb -0.19 -2.05 0.03 0.00 0.38 0.00 0.00 41.96 40.13 2dml s TYR 43 CO 0.10 -0.39 -0.02 0.00 -1.52 0.00 0.00 175.55 173.72 2dml s ALA 44 N -2.63 0.80 -2.00 9.51 0.00 -1.26 -0.81 121.76 125.37 2dml s ALA 44 Ca 0.43 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.27 2dml s ALA 44 Cb -0.03 -0.72 0.35 0.00 0.00 0.00 0.00 23.12 22.72 2dml s ALA 44 CO 0.26 -0.38 0.81 -0.35 0.00 0.00 0.00 175.76 176.10 2dml n PRO 45 N 4.93 0.49 -0.00 0.00 -0.04 -1.26 -2.03 135.00 137.09 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 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.69 0.00 -1.91 0.54 4.27 -1.26 -5.02 117.44 113.37 2dml n TRP 46 Ca 0.04 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.36 2dml n TRP 46 Cb 0.02 -0.03 0.08 0.00 -1.36 0.00 0.00 31.31 30.03 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 -3.27 -0.10 0.53 0.00 0.00 -1.26 -3.72 105.19 97.37 2dml n GLY 48 Ca 0.08 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.42 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 0.03 1.61 -0.00 -1.96 0.31 115.15 115.14 2dml h HIS 49 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 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 -0.01 0.00 -0.00 0.00 0.00 177.93 177.92 2dml h GLN 51 N -0.43 0.00 -0.01 0.00 4.20 -0.47 0.20 115.11 118.60 2dml h GLN 51 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dml h GLN 51 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 2dml h GLN 51 CO 0.01 0.00 -0.23 0.54 -0.67 0.00 0.00 178.83 178.48 2dml n ARG 52 N -3.59 0.69 -0.12 1.46 1.74 -1.01 -3.52 116.66 112.31 2dml n ARG 52 Ca -0.03 -0.36 0.12 0.00 -0.77 0.00 0.00 57.85 56.81 2dml n ARG 52 Cb 0.08 -1.49 0.19 0.00 -1.02 0.00 0.00 32.46 30.21 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 -0.85 3.23 0.07 0.55 7.94 0.70 -4.38 117.00 124.25 2dml n LEU 53 Ca 0.12 -1.28 -0.13 0.00 -1.11 0.00 0.00 56.01 53.61 2dml n LEU 53 Cb 0.33 -0.15 -0.09 0.00 0.53 0.00 0.00 43.42 44.04 2dml n LEU 53 CO 0.26 0.64 0.63 0.74 -1.11 0.00 0.00 177.39 178.55 2dml h THR 54 N 4.48 1.02 -0.21 1.96 2.02 -1.59 -0.36 112.91 120.23 2dml h THR 54 Ca 0.00 -0.73 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 2dml h THR 54 Cb 0.97 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.85 2dml h THR 54 CO 0.00 0.17 -0.43 1.55 0.37 0.00 0.00 175.52 177.18 2dml h PRO 55 N -0.53 0.50 -0.24 6.66 0.13 -1.83 -1.37 132.00 135.32 2dml h PRO 55 Ca -0.02 -0.26 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 2dml h PRO 55 Cb 0.42 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 2dml h PRO 55 CO 0.03 0.84 -0.37 0.93 -0.23 0.00 0.00 178.00 179.20 2dml h GLU 56 N 0.41 0.68 -0.34 0.86 5.08 -1.76 -2.65 114.58 116.85 2dml h GLU 56 Ca 0.03 -0.41 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 2dml h GLU 56 Cb 0.93 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2dml h GLU 56 CO 0.08 1.03 -0.40 2.35 -1.00 0.00 0.00 179.01 181.06 2dml h TRP 57 N 0.40 1.02 -0.03 4.33 -0.00 -1.04 -1.99 115.95 118.64 2dml h TRP 57 Ca 0.02 -0.31 0.01 0.00 -0.00 0.00 0.00 58.89 58.61 2dml h TRP 57 Cb 0.96 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.90 2dml h TRP 57 CO 0.08 1.11 -0.02 0.87 -0.00 0.00 0.00 178.44 180.48 2dml h LYS 58 N 0.69 -0.02 -0.64 2.65 1.57 -1.25 -2.58 116.57 116.98 2dml h LYS 58 Ca 0.05 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.95 2dml h LYS 58 Cb 0.98 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.17 2dml h LYS 58 CO 0.09 -0.01 -0.31 0.87 -0.57 0.00 0.00 179.45 179.52 2dml h LYS 59 N -0.02 -0.12 -0.96 3.15 1.57 -1.48 0.34 116.57 119.06 2dml h LYS 59 Ca 0.02 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2dml h LYS 59 Cb 0.04 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 2dml h LYS 59 CO -0.04 -0.08 0.62 0.00 -0.57 0.00 0.00 179.45 179.39 2dml h ALA 60 N 1.16 1.49 -0.64 3.86 0.00 -1.54 -1.51 119.26 122.08 2dml h ALA 60 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2dml h ALA 60 Cb 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2dml h ALA 60 CO -0.71 0.34 0.08 0.00 0.00 0.00 0.00 179.25 178.95 2dml h ALA 61 N 1.50 0.92 -0.67 0.00 0.00 -0.06 0.19 119.26 121.14 2dml h ALA 61 Ca 0.43 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2dml h ALA 61 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2dml h ALA 61 CO -0.18 0.66 0.32 1.15 0.00 0.00 0.00 179.25 181.20 2dml h THR 62 N 1.00 1.22 -0.00 0.00 2.02 0.13 0.63 112.91 117.91 2dml h THR 62 Ca 0.19 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2dml h THR 62 Cb 0.47 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2dml h THR 62 CO 0.02 0.26 -0.04 0.00 0.37 0.00 0.00 175.52 176.13 2dml h ALA 63 N 1.15 0.01 -0.06 6.16 0.00 -1.23 -3.20 119.26 122.08 2dml h ALA 63 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dml h ALA 63 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dml h ALA 63 CO -0.03 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.42 2dml n LEU 64 N -4.69 0.36 -0.16 0.00 4.77 0.65 -4.17 117.00 113.77 2dml n LEU 64 Ca -0.09 -0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 55.67 2dml n LEU 64 Cb 0.40 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2dml n LEU 64 CO 0.35 0.09 0.73 0.50 -1.33 0.00 0.00 177.39 177.72 2dml h LYS 65 N 0.37 -0.07 0.00 3.23 3.64 0.27 0.86 116.57 124.88 2dml h LYS 65 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2dml h LYS 65 Cb 0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2dml h LYS 65 CO 0.00 -0.04 -1.48 -0.25 -2.27 0.00 0.00 179.45 175.41 2dml n ASP 66 N -5.39 0.44 -0.01 4.20 8.00 -1.26 -4.54 116.55 117.98 2dml n ASP 66 Ca 0.04 0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.69 2dml n ASP 66 Cb 0.30 1.20 -0.00 0.00 -0.02 0.00 0.00 41.12 42.60 2dml n ASP 66 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2dml h VAL 67 N 0.00 0.00 -3.20 2.53 2.07 -1.58 -3.47 116.25 112.60 2dml h VAL 67 Ca 0.00 -0.28 -0.55 0.00 0.82 0.00 0.00 66.70 66.70 2dml h VAL 67 Cb 0.99 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.40 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 -1.19 1.20 -0.04 2.57 1.01 0.29 -4.78 120.40 119.46 2dml s VAL 68 Ca -0.01 -0.42 -0.33 0.00 0.00 0.00 0.00 61.98 61.22 2dml s VAL 68 Cb 0.00 -1.17 -0.11 0.00 0.00 0.00 0.00 36.38 35.10 2dml s VAL 68 CO 0.01 0.39 1.89 0.29 0.00 0.00 0.00 175.10 177.68 2dml n LYS 69 N 4.70 2.36 -3.98 2.72 4.76 -1.00 -4.15 118.16 123.57 2dml n LYS 69 Ca -0.15 0.86 -0.34 0.00 -2.87 0.00 0.00 58.31 55.82 2dml n LYS 69 Cb 0.50 -2.73 -0.14 0.00 -1.84 0.00 0.00 35.03 30.82 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 3.95 2.60 0.00 -0.18 1.01 -1.26 -0.01 120.40 126.51 2dml s VAL 70 Ca 0.91 -1.54 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2dml s VAL 70 Cb -0.63 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2dml s VAL 70 CO 0.48 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2dml n GLY 71 N 4.53 3.08 3.37 4.51 0.00 -0.68 -1.61 105.19 118.38 2dml n GLY 71 Ca -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.37 -2.88 -0.17 4.61 0.00 -0.82 -4.15 121.76 115.98 2dml s ALA 72 Ca 0.00 1.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.90 2dml s ALA 72 Cb 0.00 -2.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 2dml s ALA 72 CO 0.00 -0.82 -0.10 0.08 0.00 0.00 0.00 175.76 174.91 2dml s VAL 73 N 2.02 3.07 -0.88 0.00 1.01 -0.94 -2.72 120.40 121.95 2dml s VAL 73 Ca -0.03 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.08 2dml s VAL 73 Cb -0.03 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2dml s VAL 73 CO -0.16 0.49 1.85 0.21 0.00 0.00 0.00 175.10 177.49 2dml s ASN 74 N 0.89 5.39 0.35 3.32 2.47 -1.26 -2.68 114.94 123.41 2dml s ASN 74 Ca -0.03 -0.68 0.16 0.00 0.42 0.00 0.00 52.86 52.74 2dml s ASN 74 Cb -0.15 -2.56 1.15 0.00 -1.45 0.00 0.00 41.25 38.25 2dml s ASN 74 CO -0.00 -2.50 1.65 0.00 -3.72 0.00 0.00 177.10 172.53 2dml h ALA 75 N 11.44 2.02 -0.43 1.71 0.00 -1.26 1.07 119.26 133.82 2dml h ALA 75 Ca 0.06 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2dml h ALA 75 Cb 1.02 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2dml h ALA 75 CO 1.25 -0.67 0.25 0.22 0.00 0.00 0.00 179.25 180.30 2dml h ASP 76 N 0.25 0.51 0.00 0.00 3.58 -1.88 -0.64 116.42 118.25 2dml h ASP 76 Ca 0.76 -0.06 -0.00 0.00 0.42 0.00 0.00 57.03 58.15 2dml h ASP 76 Cb 1.81 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.73 2dml h ASP 76 CO -0.64 0.42 -0.09 0.50 -2.88 0.00 0.00 179.24 176.55 2dml h LYS 77 N 0.56 0.00 -1.87 0.28 3.64 -0.36 -3.35 116.57 115.47 2dml h LYS 77 Ca 0.15 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 2dml h LYS 77 Cb 0.00 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.75 2dml h LYS 77 CO -0.03 0.05 0.07 0.72 -2.27 0.00 0.00 179.45 177.99 2dml n HIS 78 N -4.74 0.57 -0.51 1.91 8.25 0.32 -4.59 115.22 116.43 2dml n HIS 78 Ca -0.02 -1.46 0.42 0.00 -0.26 0.00 0.00 57.72 56.41 2dml n HIS 78 Cb 0.07 -0.94 0.74 0.00 1.12 0.00 0.00 29.99 30.98 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 1.74 0.04 0.14 -0.41 4.20 -1.25 0.34 115.11 119.91 2dml h GLN 79 Ca 0.16 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2dml h GLN 79 Cb 1.05 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2dml h GLN 79 CO 0.34 0.03 -0.07 1.03 -0.67 0.00 0.00 178.83 179.49 2dml h SER 80 N 0.04 -0.16 -0.33 1.46 0.87 -1.84 -0.90 113.55 112.70 2dml h SER 80 Ca 0.78 -0.20 0.07 0.00 -1.23 0.00 0.00 61.79 61.21 2dml h SER 80 Cb 2.90 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 64.84 2dml h SER 80 CO -0.13 0.12 -0.10 -0.07 -0.53 0.00 0.00 176.83 176.12 2dml h LEU 81 N -0.43 -0.35 0.91 2.23 3.38 -0.71 0.57 115.31 120.91 2dml h LEU 81 Ca -0.02 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dml h LEU 81 Cb 0.35 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dml h LEU 81 CO 0.03 -0.13 -0.44 1.23 0.09 0.00 0.00 178.44 179.22 2dml h GLY 82 N -0.02 -1.28 1.56 0.83 0.00 -1.46 -2.96 103.07 99.74 2dml h GLY 82 Ca 0.16 0.48 0.06 0.00 0.00 0.00 0.00 47.33 48.02 2dml h GLY 82 CO -0.35 -0.47 0.17 -1.33 0.00 0.00 0.00 176.54 174.56 2dml h GLY 83 N -1.31 0.08 2.00 4.60 0.00 -1.03 0.66 103.07 108.07 2dml h GLY 83 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2dml h GLY 83 CO 0.21 0.02 0.00 -1.61 0.00 0.00 0.00 176.54 175.16 2dml h GLN 84 N 0.06 0.00 0.00 4.80 4.15 0.31 -2.92 115.11 121.52 2dml h GLN 84 Ca 0.11 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.27 2dml h GLN 84 Cb 0.36 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 2dml h GLN 84 CO -0.01 0.00 -1.98 0.66 -1.93 0.00 0.00 178.83 175.57 2dml n TYR 85 N -2.50 0.00 0.00 3.99 4.02 0.10 -5.02 117.16 117.75 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 0.12 -0.67 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 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 2.61 0.67 3.66 2.72 0.00 -0.46 -5.09 105.19 109.30 2dml n GLY 86 Ca -0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.67 4.13 -0.11 1.61 1.01 -0.78 -4.87 120.40 120.72 2dml s VAL 87 Ca 0.00 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2dml s VAL 87 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2dml s VAL 87 CO 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 175.10 174.88 2dml n GLN 88 N 6.68 0.28 -3.81 2.72 1.13 -1.26 -4.40 117.38 118.72 2dml n GLN 88 Ca 0.14 0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 55.14 2dml n GLN 88 Cb 0.44 -1.20 -0.15 0.00 0.11 0.00 0.00 30.24 29.44 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 -5.10 0.06 0.28 1.08 0.00 -1.26 -5.16 107.32 97.22 2dml s GLY 89 Ca -0.15 0.20 0.05 0.00 0.00 0.00 0.00 44.72 44.81 2dml s GLY 89 CO 0.26 0.43 0.41 -1.36 0.00 0.00 0.00 173.10 172.84 2dml s PHE 90 N 0.67 3.36 0.52 1.90 0.08 -1.26 -4.16 117.98 119.08 2dml s PHE 90 Ca -0.06 -0.03 -0.21 0.00 0.12 0.00 0.00 56.93 56.76 2dml s PHE 90 Cb -0.08 -1.73 -0.06 0.00 -0.57 0.00 0.00 43.02 40.58 2dml s PHE 90 CO -0.02 0.27 1.14 -1.25 -0.10 0.00 0.00 175.22 175.26 2dml s PRO 91 N -4.08 3.49 -0.29 0.24 0.04 -1.26 -4.89 135.00 128.25 2dml s PRO 91 Ca 0.38 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2dml s PRO 91 Cb -0.09 -2.13 0.09 0.00 0.04 0.00 0.00 34.50 32.41 2dml s PRO 91 CO 0.30 -0.75 0.10 0.99 0.04 0.00 0.00 177.00 177.68 2dml s THR 92 N -1.70 0.56 0.14 1.26 2.01 -0.80 -4.99 115.64 112.13 2dml s THR 92 Ca 0.70 -1.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.41 2dml s THR 92 Cb -0.25 -1.39 -0.07 0.00 0.01 0.00 0.00 72.50 70.80 2dml s THR 92 CO 0.29 -0.63 0.62 -0.63 -0.69 0.00 0.00 174.62 173.59 2dml s ILE 93 N 1.79 4.69 -0.02 1.82 1.01 -1.26 -0.24 121.20 128.99 2dml s ILE 93 Ca 0.08 1.17 0.01 0.00 0.00 0.00 0.00 60.65 61.91 2dml s ILE 93 Cb -0.17 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.45 2dml s ILE 93 CO -0.26 0.37 -0.03 -0.54 0.00 0.00 0.00 174.94 174.47 2dml s LYS 94 N -1.60 0.41 -0.13 2.79 -0.14 0.12 -3.06 119.74 118.13 2dml s LYS 94 Ca 0.36 -0.07 -0.08 0.00 -1.36 0.00 0.00 55.97 54.82 2dml s LYS 94 Cb -0.18 -0.46 -0.04 0.00 -1.68 0.00 0.00 37.83 35.47 2dml s LYS 94 CO 0.20 -0.01 0.15 0.42 -0.76 0.00 0.00 175.35 175.35 2dml s ILE 95 N 0.43 5.48 -0.13 2.17 1.01 -0.92 -1.02 121.20 128.21 2dml s ILE 95 Ca -0.04 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.85 2dml s ILE 95 Cb -0.08 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 2dml s ILE 95 CO -0.01 0.58 -0.18 -0.36 0.00 0.00 0.00 174.94 174.98 2dml s PHE 96 N -0.77 2.70 0.00 3.97 0.40 0.10 -0.84 117.98 123.55 2dml s PHE 96 Ca 0.14 -0.96 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 2dml s PHE 96 Cb -0.12 -1.81 0.00 0.00 0.51 0.00 0.00 43.02 41.60 2dml s PHE 96 CO 0.03 -0.40 0.00 0.41 0.70 0.00 0.00 175.22 175.97 2dml n GLY 97 N 3.73 -1.36 0.09 4.36 0.00 -1.26 -1.62 105.19 109.13 2dml n GLY 97 Ca -0.19 0.62 -0.03 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.18 -3.51 4.61 0.00 -1.93 -3.34 119.26 116.92 2dml h ALA 98 Ca 0.00 0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.25 2dml h ALA 98 Cb 0.00 1.02 -0.37 0.00 0.00 0.00 0.00 17.79 18.45 2dml h ALA 98 CO 0.00 -0.26 -0.67 1.21 0.00 0.00 0.00 179.25 179.52 2dml s ASN 99 N -3.48 4.91 0.66 0.00 2.47 -1.26 -4.95 114.94 113.29 2dml s ASN 99 Ca -0.03 -1.89 0.39 0.00 0.42 0.00 0.00 52.86 51.75 2dml s ASN 99 Cb 0.02 -1.70 2.14 0.00 -1.45 0.00 0.00 41.25 40.26 2dml s ASN 99 CO 0.13 -0.39 2.21 0.11 -3.72 0.00 0.00 177.10 175.45 2dml h LYS 100 N 7.83 0.00 0.02 0.43 1.79 -1.96 0.77 116.57 125.45 2dml h LYS 100 Ca -0.11 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.15 2dml h LYS 100 Cb 1.04 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 2dml h LYS 100 CO 0.57 0.00 -0.99 -0.91 -1.08 0.00 0.00 179.45 177.04 2dml h ASN 101 N 0.00 0.08 -3.02 0.86 2.35 -1.94 -3.42 115.58 110.49 2dml h ASN 101 Ca 0.00 -0.08 -0.57 0.00 -0.55 0.00 0.00 56.30 55.10 2dml h ASN 101 Cb 0.24 -0.03 -0.40 0.00 0.05 0.00 0.00 38.32 38.18 2dml h ASN 101 CO -0.00 1.02 -0.77 -0.54 -1.65 0.00 0.00 177.43 175.49 2dml s LYS 102 N -2.83 0.63 1.08 0.81 1.02 0.26 -5.09 119.74 115.61 2dml s LYS 102 Ca -0.00 -1.09 -0.15 0.00 0.02 0.00 0.00 55.97 54.75 2dml s LYS 102 Cb 0.10 -1.71 0.23 0.00 -0.52 0.00 0.00 37.83 35.92 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 1.49 -0.20 0.20 -1.68 0.04 -1.23 -4.40 135.00 129.22 2dml s PRO 103 Ca 0.12 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.50 2dml s PRO 103 Cb -0.19 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2dml s PRO 103 CO -0.21 -3.11 0.31 -1.21 0.04 0.00 0.00 177.00 172.82 2dml s GLU 104 N -5.11 3.39 -0.49 4.56 0.41 -0.02 -4.90 118.70 116.55 2dml s GLU 104 Ca 0.67 -0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 54.24 2dml s GLU 104 Cb -0.16 -2.90 0.03 0.00 -1.78 0.00 0.00 34.13 29.32 2dml s GLU 104 CO 0.57 0.47 1.21 -0.51 -0.49 0.00 0.00 175.26 176.52 2dml s ASP 105 N -3.62 6.52 -0.43 -0.19 1.01 -1.26 -2.17 116.67 116.53 2dml s ASP 105 Ca 0.34 0.45 -0.27 0.00 0.71 0.00 0.00 52.55 53.78 2dml s ASP 105 Cb -0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2dml s ASP 105 CO 0.28 -1.36 2.11 -0.47 0.21 0.00 0.00 175.17 175.95 2dml s TYR 106 N 4.82 1.38 -0.52 4.23 6.14 -1.17 -4.83 117.35 127.40 2dml s TYR 106 Ca 0.50 0.97 0.02 0.00 0.64 0.00 0.00 57.07 59.20 2dml s TYR 106 Cb -0.08 -3.89 0.44 0.00 0.42 0.00 0.00 41.96 38.85 2dml s TYR 106 CO 0.31 -2.90 1.64 1.04 0.64 0.00 0.00 175.55 176.28 2dml n GLN 107 N 8.88 3.11 -3.71 4.97 1.13 -1.26 -4.81 117.38 125.69 2dml n GLN 107 Ca 0.28 -3.74 -0.24 0.00 -1.94 0.00 0.00 57.00 51.36 2dml n GLN 107 Cb 0.50 -2.28 -0.01 0.00 0.11 0.00 0.00 30.24 28.56 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dml n GLY 108 N -0.77 2.92 3.75 1.08 0.00 -1.26 -5.09 105.19 105.81 2dml n GLY 108 Ca 0.53 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 2dml n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dml s GLY 109 N -3.87 2.55 -0.04 -0.02 0.00 -1.26 -4.89 107.32 99.79 2dml s GLY 109 Ca 0.23 1.20 -0.02 0.00 0.00 0.00 0.00 44.72 46.13 2dml s GLY 109 CO 0.15 2.08 2.55 0.54 0.00 0.00 0.00 173.10 178.42 2dml n ARG 110 N 2.09 1.43 -4.51 2.90 1.74 -1.26 -3.62 116.66 115.43 2dml n ARG 110 Ca 0.05 -0.52 -0.23 0.00 -0.77 0.00 0.00 57.85 56.38 2dml n ARG 110 Cb 0.42 -1.41 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2dml s THR 111 N 0.07 0.99 0.25 0.55 -4.23 -1.26 -4.85 115.64 107.16 2dml s THR 111 Ca 0.26 -0.43 0.17 0.00 -1.18 0.00 0.00 61.69 60.51 2dml s THR 111 Cb 0.13 -0.90 0.27 0.00 1.34 0.00 0.00 72.50 73.34 2dml s THR 111 CO -0.01 0.31 0.97 0.61 -0.54 0.00 0.00 174.62 175.97 2dml n GLY 112 N 3.57 -0.50 0.31 3.99 0.00 -0.75 0.41 105.19 112.23 2dml n GLY 112 Ca -0.21 0.49 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.73 -0.69 1.61 4.39 -1.92 -2.24 114.58 115.00 2dml h GLU 113 Ca 0.54 0.05 0.13 0.00 0.34 0.00 0.00 59.36 60.42 2dml h GLU 113 Cb 1.59 0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 30.32 2dml h GLU 113 CO -0.38 -0.49 0.22 0.00 -1.16 0.00 0.00 179.01 177.20 2dml h ALA 114 N -1.39 0.91 -0.58 3.43 0.00 -0.27 -0.97 119.26 120.38 2dml h ALA 114 Ca -0.08 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2dml h ALA 114 Cb 0.58 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2dml h ALA 114 CO 0.13 -0.26 0.27 0.82 0.00 0.00 0.00 179.25 180.21 2dml h ILE 115 N 0.36 0.88 -0.87 0.00 2.04 -1.18 -0.58 117.51 118.15 2dml h ILE 115 Ca 0.37 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 66.15 2dml h ILE 115 Cb 0.56 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2dml h ILE 115 CO -0.41 0.09 0.52 0.58 0.00 0.00 0.00 178.15 178.93 2dml h VAL 116 N 0.49 0.95 -0.16 1.67 2.07 -0.54 -0.14 116.25 120.59 2dml h VAL 116 Ca 0.27 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 2dml h VAL 116 Cb 0.25 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2dml h VAL 116 CO -0.22 0.16 -0.48 -0.78 0.02 0.00 0.00 177.57 176.26 2dml h ASP 117 N 0.88 0.46 -0.23 0.57 1.82 -0.95 -2.77 116.42 116.21 2dml h ASP 117 Ca 0.41 -0.22 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2dml h ASP 117 Cb 0.33 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2dml h ASP 117 CO -0.23 0.87 -0.01 0.00 -1.61 0.00 0.00 179.24 178.27 2dml h ALA 118 N 1.14 0.31 -0.61 -0.78 0.00 0.10 -1.23 119.26 118.20 2dml h ALA 118 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dml h ALA 118 Cb 0.97 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2dml h ALA 118 CO 0.08 0.05 0.40 0.00 0.00 0.00 0.00 179.25 179.79 2dml h ALA 119 N 0.80 0.78 0.47 0.00 0.00 -1.06 -2.06 119.26 118.19 2dml h ALA 119 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2dml h ALA 119 Cb 0.42 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2dml h ALA 119 CO 0.01 0.20 -0.23 -0.07 0.00 0.00 0.00 179.25 179.16 2dml h LEU 120 N 0.82 -0.53 -0.74 0.00 3.38 -1.43 -0.65 115.31 116.15 2dml h LEU 120 Ca 0.23 -0.07 0.17 0.00 0.09 0.00 0.00 57.88 58.29 2dml h LEU 120 Cb -0.08 0.14 -0.13 0.00 0.09 0.00 0.00 40.66 40.68 2dml h LEU 120 CO -0.06 -0.23 -0.01 -1.28 0.09 0.00 0.00 178.44 176.95 2dml h SER 121 N -0.85 -0.37 -0.35 -0.43 0.87 -1.14 0.47 113.55 111.75 2dml h SER 121 Ca -0.06 0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 2dml h SER 121 Cb 0.57 0.35 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2dml h SER 121 CO 0.11 -0.18 0.05 0.00 -0.53 0.00 0.00 176.83 176.27 2dml h ALA 122 N 1.70 0.47 0.03 6.23 0.00 -1.32 -1.97 119.26 124.39 2dml h ALA 122 Ca 0.40 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.12 2dml h ALA 122 Cb 0.69 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2dml h ALA 122 CO -0.66 0.18 -0.49 1.25 0.00 0.00 0.00 179.25 179.52 2dml h LEU 123 N 0.42 -1.50 -0.83 0.00 7.12 0.67 0.48 115.31 121.67 2dml h LEU 123 Ca 0.11 0.17 0.04 0.00 0.13 0.00 0.00 57.88 58.33 2dml h LEU 123 Cb 0.37 0.57 -0.05 0.00 -0.53 0.00 0.00 40.66 41.02 2dml h LEU 123 CO 0.01 -0.51 0.52 0.08 -0.13 0.00 0.00 178.44 178.41 2dml h ARG 124 N -0.66 0.96 0.00 1.25 0.11 -1.27 -0.81 114.38 113.96 2dml h ARG 124 Ca 0.02 -0.06 -0.04 0.00 0.10 0.00 0.00 59.98 60.01 2dml h ARG 124 Cb 0.71 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.57 2dml h ARG 124 CO -0.33 0.63 -0.17 0.77 0.10 0.00 0.00 179.97 180.97 2dml h SER 125 N 0.99 0.00 0.00 0.08 0.02 -0.53 -3.39 113.55 110.72 2dml h SER 125 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 2dml h SER 125 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2dml h SER 125 CO -0.14 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.33 2dml n GLY 126 N -0.67 -1.90 0.00 -3.77 0.00 0.16 -4.83 105.19 94.18 2dml n GLY 126 Ca -0.02 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.76 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 0.00 0.18 -2.19 1.61 -0.04 -1.26 -3.93 135.00 129.37 2dml n PRO 127 Ca 0.00 0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 2dml n PRO 127 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dml n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dml s SER 128 N -2.64 5.66 -1.69 3.54 0.15 -1.25 -3.78 113.70 113.68 2dml s SER 128 Ca 0.13 0.32 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 2dml s SER 128 Cb 0.10 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.99 2dml s SER 128 CO 0.23 -2.08 0.39 -1.54 1.20 0.00 0.00 173.24 171.45 2dml n SER 129 N 11.30 -0.89 0.00 5.45 3.41 -1.26 -4.65 113.62 126.97 2dml n SER 129 Ca 0.16 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2dml n SER 129 Cb 0.50 -1.91 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49