#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 1.78 0.65 1.61 0.15 -1.26 -5.14 113.70 111.49 2dml s SER 2 Ca 0.00 -0.29 -0.14 0.00 0.70 0.00 0.00 55.95 56.22 2dml s SER 2 Cb 0.00 -0.19 -0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2dml s SER 2 CO 0.00 0.17 1.08 -0.94 1.20 0.00 0.00 173.24 174.75 2dml s SER 3 N -0.43 5.32 -0.28 5.45 1.04 -1.26 -5.07 113.70 118.48 2dml s SER 3 Ca 0.06 1.85 -0.16 0.00 0.48 0.00 0.00 55.95 58.17 2dml s SER 3 Cb -0.06 -2.53 0.08 0.00 0.10 0.00 0.00 66.02 63.61 2dml s SER 3 CO -0.00 -1.48 0.71 -0.83 0.98 0.00 0.00 173.24 172.61 2dml s GLY 4 N -2.94 -0.60 0.90 7.32 0.00 -1.26 -5.17 107.32 105.57 2dml s GLY 4 Ca 0.64 2.45 -0.12 0.00 0.00 0.00 0.00 44.72 47.69 2dml s GLY 4 CO 0.44 2.39 1.11 -1.35 0.00 0.00 0.00 173.10 175.69 2dml s SER 5 N 1.56 3.58 -0.29 1.64 1.04 -1.26 -5.08 113.70 114.89 2dml s SER 5 Ca -0.09 1.14 -0.02 0.00 0.48 0.00 0.00 55.95 57.45 2dml s SER 5 Cb -0.05 -1.78 0.18 0.00 0.10 0.00 0.00 66.02 64.47 2dml s SER 5 CO -0.19 -2.53 0.58 -0.44 0.98 0.00 0.00 173.24 171.65 2dml s SER 6 N -3.84 -1.20 0.07 7.02 0.01 -1.26 -5.07 113.70 109.44 2dml s SER 6 Ca 0.63 0.87 -0.19 0.00 1.31 0.00 0.00 55.95 58.57 2dml s SER 6 Cb -0.16 2.07 -0.07 0.00 0.21 0.00 0.00 66.02 68.07 2dml s SER 6 CO 0.55 -0.26 1.31 1.23 0.41 0.00 0.00 173.24 176.48 2dml h GLY 7 N 8.02 -1.37 -3.14 3.44 0.00 -2.10 -3.45 103.07 104.47 2dml h GLY 7 Ca -0.22 0.73 -0.05 0.00 0.00 0.00 0.00 47.33 47.79 2dml h GLY 7 CO 0.25 -0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.41 2dml s ALA 8 N -4.80 -1.13 -0.03 3.60 0.00 -1.26 -5.18 121.76 112.97 2dml s ALA 8 Ca -0.08 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 51.98 2dml s ALA 8 Cb 0.04 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.86 2dml s ALA 8 CO 0.35 -0.65 0.12 0.14 0.00 0.00 0.00 175.76 175.72 2dml s VAL 9 N -3.60 0.04 0.12 0.00 -7.23 -1.26 -5.14 120.40 103.33 2dml s VAL 9 Ca 0.01 -0.31 -0.31 0.00 -1.81 0.00 0.00 61.98 59.56 2dml s VAL 9 Cb 0.01 -0.28 -0.07 0.00 0.56 0.00 0.00 36.38 36.59 2dml s VAL 9 CO -0.11 -0.17 1.25 -0.44 -0.31 0.00 0.00 175.10 175.32 2dml s SER 10 N -0.56 7.00 -0.30 4.85 0.01 -1.26 -5.00 113.70 118.45 2dml s SER 10 Ca -0.06 2.18 -0.17 0.00 1.31 0.00 0.00 55.95 59.21 2dml s SER 10 Cb -0.04 -2.59 0.18 0.00 0.21 0.00 0.00 66.02 63.78 2dml s SER 10 CO 0.01 -0.49 1.17 -0.83 0.41 0.00 0.00 173.24 173.50 2dml s GLY 11 N 0.76 0.21 0.17 3.44 0.00 -1.26 -5.04 107.32 105.60 2dml s GLY 11 Ca 0.58 3.48 -0.15 0.00 0.00 0.00 0.00 44.72 48.64 2dml s GLY 11 CO 0.32 3.11 1.74 1.41 0.00 0.00 0.00 173.10 179.68 2dml h LEU 12 N 6.60 0.09-10.66 0.66 3.38 -1.96 -3.43 115.31 109.99 2dml h LEU 12 Ca -0.19 0.06 -0.46 0.00 0.09 0.00 0.00 57.88 57.38 2dml h LEU 12 Cb 1.14 0.06 0.11 0.00 0.09 0.00 0.00 40.66 42.06 2dml h LEU 12 CO 0.12 0.08 0.33 -0.31 0.09 0.00 0.00 178.44 178.76 2dml s TYR 13 N -6.15 2.54 -0.09 1.13 1.51 -1.26 -5.10 117.35 109.93 2dml s TYR 13 Ca -0.13 0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 56.37 2dml s TYR 13 Cb 0.13 -3.50 0.05 0.00 -0.11 0.00 0.00 41.96 38.53 2dml s TYR 13 CO 0.72 -1.84 0.18 -1.54 -1.11 0.00 0.00 175.55 171.96 2dml s SER 14 N -4.64 0.15 0.40 2.29 1.04 -1.26 -5.02 113.70 106.66 2dml s SER 14 Ca 0.64 0.39 0.30 0.00 0.48 0.00 0.00 55.95 57.76 2dml s SER 14 Cb -0.09 0.31 1.36 0.00 0.10 0.00 0.00 66.02 67.71 2dml s SER 14 CO 0.48 -0.19 1.42 -1.54 0.98 0.00 0.00 173.24 174.40 2dml n SER 15 N 4.65 0.19 -0.26 7.02 3.41 -1.26 0.77 113.62 128.13 2dml n SER 15 Ca -0.18 1.26 0.06 0.00 -0.26 0.00 0.00 58.87 59.76 2dml n SER 15 Cb 0.51 -0.62 0.18 0.00 -0.26 0.00 0.00 64.21 64.03 2dml n SER 15 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2dml h SER 16 N 0.00 -0.22 -2.61 4.04 0.87 -1.95 -3.41 113.55 110.26 2dml h SER 16 Ca 0.80 0.19 -0.28 0.00 -1.23 0.00 0.00 61.79 61.27 2dml h SER 16 Cb 2.60 0.30 0.16 0.00 -0.44 0.00 0.00 62.40 65.02 2dml h SER 16 CO -0.42 -0.15 -0.05 0.47 -0.53 0.00 0.00 176.83 176.15 2dml n ASP 17 N -5.29 -2.93 0.20 6.23 8.00 0.23 -4.92 116.55 118.08 2dml n ASP 17 Ca 0.15 -0.79 0.09 0.00 0.71 0.00 0.00 54.79 54.95 2dml n ASP 17 Cb 0.51 -0.74 0.29 0.00 -0.02 0.00 0.00 41.12 41.15 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 -2.86 0.00 -2.88 -2.24 5.19 -1.84 -3.45 116.42 108.35 2dml h ASP 18 Ca -0.30 0.00 -0.53 0.00 -0.62 0.00 0.00 57.03 55.58 2dml h ASP 18 Cb 0.97 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.50 2dml h ASP 18 CO 0.19 0.24 0.84 -0.69 -3.12 0.00 0.00 179.24 176.70 2dml s VAL 19 N -3.35 3.14 -0.23 -1.35 1.01 -1.26 -4.84 120.40 113.53 2dml s VAL 19 Ca 0.03 0.74 -0.22 0.00 0.00 0.00 0.00 61.98 62.53 2dml s VAL 19 Cb 0.08 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2dml s VAL 19 CO 0.67 0.04 0.72 -0.63 0.00 0.00 0.00 175.10 175.90 2dml s ILE 20 N 1.65 4.93 -0.73 2.22 1.01 -0.90 -4.50 121.20 124.88 2dml s ILE 20 Ca 0.68 1.35 -0.26 0.00 0.00 0.00 0.00 60.65 62.43 2dml s ILE 20 Cb -0.38 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.01 2dml s ILE 20 CO 0.30 0.01 2.07 -0.70 0.00 0.00 0.00 174.94 176.62 2dml s GLU 21 N 2.45 2.34 0.06 2.79 2.12 -1.26 -1.67 118.70 125.52 2dml s GLU 21 Ca 0.31 0.37 -0.28 0.00 0.36 0.00 0.00 54.97 55.73 2dml s GLU 21 Cb -0.16 -4.74 -0.05 0.00 0.26 0.00 0.00 34.13 29.44 2dml s GLU 21 CO 0.09 -3.36 0.89 -0.51 -0.54 0.00 0.00 175.26 171.83 2dml s LEU 22 N 10.93 4.45 0.17 2.70 1.43 -1.05 -4.93 118.68 132.37 2dml s LEU 22 Ca 0.77 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 55.53 2dml s LEU 22 Cb -0.11 -3.44 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2dml s LEU 22 CO 0.11 -0.07 -0.05 0.42 0.23 0.00 0.00 176.35 176.99 2dml s THR 23 N 0.19 0.96 -1.20 5.49 -4.23 -1.26 -4.43 115.64 111.15 2dml s THR 23 Ca 0.44 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 2dml s THR 23 Cb -0.22 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2dml s THR 23 CO 0.27 -0.59 0.29 -0.81 -0.54 0.00 0.00 174.62 173.23 2dml n PRO 24 N -0.24 0.48 -0.00 3.99 -0.04 -1.26 0.41 135.00 138.34 2dml n PRO 24 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2dml n PRO 24 Cb 0.62 -1.19 -0.00 0.00 -0.04 0.00 0.00 33.50 32.89 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 4.96 0.00 3.54 7.64 -1.26 -4.77 113.62 123.83 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 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 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 -1.70 1.23 -0.37 6.43 6.94 -0.85 -4.75 115.26 122.20 2dml n ASN 26 Ca -0.00 -0.21 0.35 0.00 -0.02 0.00 0.00 54.58 54.69 2dml n ASN 26 Cb 0.19 0.67 0.54 0.00 -2.36 0.00 0.00 39.78 38.83 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 -0.80 0.00 -0.00 -2.53 -0.00 0.17 0.18 117.46 114.48 2dml n PHE 27 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.23 2dml n PHE 27 Cb 0.00 -0.32 -0.14 0.00 -0.00 0.00 0.00 39.48 39.02 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 0.38 0.54 -2.13 -1.24 -1.85 -2.19 115.58 109.08 2dml h ASN 28 Ca 0.62 -0.88 0.00 0.00 0.71 0.00 0.00 56.30 56.75 2dml h ASN 28 Cb 3.08 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 42.01 2dml h ASN 28 CO -0.01 1.77 0.00 0.54 -1.29 0.00 0.00 177.43 178.44 2dml n ARG 29 N -3.69 0.44 -0.09 6.67 5.12 0.48 0.24 116.66 125.83 2dml n ARG 29 Ca -0.30 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.45 2dml n ARG 29 Cb 0.98 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.71 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 0.39 -0.04 5.56 -0.58 0.30 -4.58 120.64 120.41 2dml n GLU 30 Ca 0.14 0.15 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.23 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 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 -3.60 0.76 -0.31 2.62 0.31 -0.84 -4.20 118.33 113.07 2dml n VAL 31 Ca -0.34 0.30 0.27 0.00 -0.01 0.00 0.00 64.34 64.57 2dml n VAL 31 Cb 0.77 -1.87 0.60 0.00 -0.91 0.00 0.00 33.84 32.43 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 -0.46 0.49 -0.82 2.52 1.08 -1.25 0.78 117.51 119.85 2dml h ILE 32 Ca 0.00 -0.08 -0.42 0.00 -0.39 0.00 0.00 64.86 63.97 2dml h ILE 32 Cb 0.46 0.23 -0.25 0.00 -3.07 0.00 0.00 36.82 34.20 2dml h ILE 32 CO 0.00 0.04 0.53 0.00 -0.69 0.00 0.00 178.15 178.03 2dml n GLN 33 N -4.46 2.07 -3.74 2.37 1.13 0.65 -4.77 117.38 110.64 2dml n GLN 33 Ca 0.25 -2.48 -0.30 0.00 -1.94 0.00 0.00 57.00 52.53 2dml n GLN 33 Cb 1.00 -1.97 -0.15 0.00 0.11 0.00 0.00 30.24 29.23 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 -0.89 3.95 0.55 1.08 0.15 0.27 -4.82 113.70 114.00 2dml s SER 34 Ca 0.47 -1.57 0.25 0.00 0.70 0.00 0.00 55.95 55.80 2dml s SER 34 Cb 0.39 -0.86 1.48 0.00 -1.71 0.00 0.00 66.02 65.33 2dml s SER 34 CO 0.09 -0.40 2.06 -2.24 1.20 0.00 0.00 173.24 173.95 2dml h ASP 35 N 8.09 0.00 -2.39 5.45 2.03 -1.86 -3.43 116.42 124.32 2dml h ASP 35 Ca -0.14 0.00 -0.19 0.00 -0.73 0.00 0.00 57.03 55.97 2dml h ASP 35 Cb 1.02 0.00 0.10 0.00 -0.83 0.00 0.00 39.33 39.62 2dml h ASP 35 CO 0.46 0.00 0.05 0.61 -1.03 0.00 0.00 179.24 179.33 2dml n GLY 36 N -1.52 -2.66 3.77 7.15 0.00 -1.26 -4.71 105.19 105.95 2dml n GLY 36 Ca 0.04 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 4.60 -0.06 0.99 2.96 -1.26 -4.74 118.68 121.17 2dml s LEU 37 Ca 0.35 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 55.99 2dml s LEU 37 Cb -0.03 -3.38 0.02 0.00 0.50 0.00 0.00 46.19 43.29 2dml s LEU 37 CO 0.27 0.18 -0.08 0.26 -1.32 0.00 0.00 176.35 175.66 2dml s TRP 38 N -1.09 1.11 -0.41 5.38 0.52 -0.90 -1.39 118.94 122.17 2dml s TRP 38 Ca 0.37 -0.38 -0.04 0.00 0.02 0.00 0.00 56.10 56.07 2dml s TRP 38 Cb -0.24 -0.88 0.11 0.00 -1.15 0.00 0.00 33.47 31.31 2dml s TRP 38 CO 0.28 -0.25 0.20 -0.51 0.02 0.00 0.00 176.95 176.69 2dml s LEU 39 N 0.86 5.19 -0.24 2.99 1.43 0.07 -0.37 118.68 128.61 2dml s LEU 39 Ca -0.12 -1.95 -0.09 0.00 -1.03 0.00 0.00 54.13 50.95 2dml s LEU 39 Cb -0.15 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 2dml s LEU 39 CO 0.01 -0.53 0.12 -0.69 0.23 0.00 0.00 176.35 175.49 2dml s VAL 40 N 1.18 4.95 -0.10 -1.59 1.01 -0.71 -1.35 120.40 123.79 2dml s VAL 40 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2dml s VAL 40 Cb -0.23 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2dml s VAL 40 CO -0.03 0.35 -0.10 -0.70 0.00 0.00 0.00 175.10 174.61 2dml s GLU 41 N 1.21 3.06 -0.49 2.72 -6.30 -1.26 -0.34 118.70 117.29 2dml s GLU 41 Ca 0.06 -0.63 -0.14 0.00 -2.50 0.00 0.00 54.97 51.76 2dml s GLU 41 Cb -0.14 -2.60 0.10 0.00 0.00 0.00 0.00 34.13 31.49 2dml s GLU 41 CO 0.05 0.43 0.40 -0.06 0.02 0.00 0.00 175.26 176.10 2dml s PHE 42 N -0.20 3.29 0.52 5.30 0.40 0.98 -1.48 117.98 126.79 2dml s PHE 42 Ca 0.01 -1.28 0.06 0.00 -0.60 0.00 0.00 56.93 55.12 2dml s PHE 42 Cb -0.13 -3.40 0.02 0.00 0.51 0.00 0.00 43.02 40.02 2dml s PHE 42 CO 0.03 -0.91 0.37 1.52 0.70 0.00 0.00 175.22 176.93 2dml s TYR 43 N 1.55 1.81 -0.07 0.36 -0.85 -1.10 -1.78 117.35 117.28 2dml s TYR 43 Ca 0.04 -0.79 -0.01 0.00 -0.52 0.00 0.00 57.07 55.79 2dml s TYR 43 Cb -0.26 -1.93 0.03 0.00 0.38 0.00 0.00 41.96 40.17 2dml s TYR 43 CO 0.04 -0.36 -0.01 0.00 -1.52 0.00 0.00 175.55 173.69 2dml s ALA 44 N -2.73 0.73 -2.00 9.51 0.00 -1.26 -0.55 121.76 125.45 2dml s ALA 44 Ca 0.35 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2dml s ALA 44 Cb -0.02 -0.70 0.31 0.00 0.00 0.00 0.00 23.12 22.71 2dml s ALA 44 CO 0.21 -0.39 0.77 -0.35 0.00 0.00 0.00 175.76 176.01 2dml n PRO 45 N 4.96 0.49 -0.00 0.00 -0.04 -1.26 -2.04 135.00 137.10 2dml n PRO 45 Ca -0.10 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.17 -0.02 0.00 -0.04 0.00 0.00 33.50 32.78 2dml n PRO 45 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2dml n TRP 46 N -0.67 0.00 -2.12 0.54 4.27 -1.26 -5.03 117.44 113.18 2dml n TRP 46 Ca 0.04 0.00 -0.28 0.00 -3.89 0.00 0.00 57.50 53.37 2dml n TRP 46 Cb 0.02 -0.06 0.18 0.00 -1.36 0.00 0.00 31.31 30.09 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 -3.60 -0.39 0.38 0.00 0.00 -1.26 -3.96 105.19 96.36 2dml n GLY 48 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.04 1.61 -0.00 -1.95 0.52 115.15 115.37 2dml h HIS 49 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 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 -0.40 0.00 -0.00 0.00 0.00 177.93 177.53 2dml h GLN 51 N -0.81 0.00 -0.01 0.00 4.20 -0.14 -0.14 115.11 118.21 2dml h GLN 51 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2dml h GLN 51 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2dml h GLN 51 CO 0.02 0.10 -0.05 2.89 -0.67 0.00 0.00 178.83 181.11 2dml n ARG 52 N -3.93 1.11 -0.09 1.46 -4.01 -0.54 -3.31 116.66 107.34 2dml n ARG 52 Ca -0.02 -0.44 0.11 0.00 -1.04 0.00 0.00 57.85 56.46 2dml n ARG 52 Cb 0.19 -1.49 0.15 0.00 -3.04 0.00 0.00 32.46 28.27 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 -0.56 3.13 0.06 2.89 7.94 -0.07 -4.46 117.00 125.93 2dml n LEU 53 Ca 0.18 -1.26 -0.13 0.00 -1.11 0.00 0.00 56.01 53.69 2dml n LEU 53 Cb 0.27 -0.12 -0.08 0.00 0.53 0.00 0.00 43.42 44.01 2dml n LEU 53 CO 0.20 0.61 0.72 0.74 -1.11 0.00 0.00 177.39 178.55 2dml h THR 54 N 4.32 1.05 0.00 1.96 2.02 -1.57 0.82 112.91 121.51 2dml h THR 54 Ca 0.00 -0.50 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 2dml h THR 54 Cb 0.94 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.71 2dml h THR 54 CO 0.00 0.12 -0.47 1.55 0.37 0.00 0.00 175.52 177.09 2dml h PRO 55 N -0.35 0.00 0.04 6.66 0.13 -1.83 -0.96 132.00 135.69 2dml h PRO 55 Ca -0.01 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 2dml h PRO 55 Cb 0.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.45 2dml h PRO 55 CO 0.02 0.47 -1.09 0.93 -0.23 0.00 0.00 178.00 178.10 2dml h GLU 56 N 0.00 0.66 -0.15 0.86 4.39 -1.76 -2.89 114.58 115.69 2dml h GLU 56 Ca -0.00 -0.77 -0.16 0.00 0.34 0.00 0.00 59.36 58.77 2dml h GLU 56 Cb 0.85 0.23 0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2dml h GLU 56 CO 0.06 1.34 -0.53 2.35 -1.16 0.00 0.00 179.01 181.07 2dml h TRP 57 N 0.32 0.82 -0.37 4.33 -0.00 -0.78 -2.45 115.95 117.82 2dml h TRP 57 Ca -0.15 -0.34 0.03 0.00 -0.00 0.00 0.00 58.89 58.43 2dml h TRP 57 Cb 1.75 -0.14 -0.03 0.00 -0.00 0.00 0.00 29.16 30.75 2dml h TRP 57 CO 0.11 1.12 0.17 0.87 -0.00 0.00 0.00 178.44 180.72 2dml h LYS 58 N 0.28 0.35 -0.40 2.65 1.57 -1.27 -2.41 116.57 117.34 2dml h LYS 58 Ca -0.02 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2dml h LYS 58 Cb 1.15 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.29 2dml h LYS 58 CO 0.11 0.23 -0.34 0.87 -0.57 0.00 0.00 179.45 179.75 2dml h LYS 59 N 0.36 -0.25 -0.60 3.15 1.57 -1.55 0.19 116.57 119.43 2dml h LYS 59 Ca 0.16 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 2dml h LYS 59 Cb 0.08 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2dml h LYS 59 CO -0.12 -0.17 0.40 0.00 -0.57 0.00 0.00 179.45 178.99 2dml h ALA 60 N 0.71 1.87 -0.50 3.86 0.00 -1.53 -1.15 119.26 122.52 2dml h ALA 60 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2dml h ALA 60 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2dml h ALA 60 CO -0.55 0.03 0.02 0.00 0.00 0.00 0.00 179.25 178.75 2dml h ALA 61 N 1.68 1.09 -0.48 0.00 0.00 -0.19 0.24 119.26 121.60 2dml h ALA 61 Ca 0.26 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dml h ALA 61 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2dml h ALA 61 CO -0.08 0.58 0.17 1.15 0.00 0.00 0.00 179.25 181.08 2dml h THR 62 N 0.77 1.22 -0.00 0.00 2.02 0.10 0.93 112.91 117.95 2dml h THR 62 Ca 0.15 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 2dml h THR 62 Cb 0.44 0.77 0.01 0.00 -1.74 0.00 0.00 68.15 67.63 2dml h THR 62 CO 0.02 0.26 -0.33 0.00 0.37 0.00 0.00 175.52 175.83 2dml h ALA 63 N 1.02 0.04 -0.21 6.16 0.00 -1.33 -3.20 119.26 121.75 2dml h ALA 63 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2dml h ALA 63 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dml h ALA 63 CO -0.01 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2dml n LEU 64 N -4.44 1.14 -0.13 0.00 4.77 0.83 -4.25 117.00 114.93 2dml n LEU 64 Ca -0.10 -0.57 -0.05 0.00 -0.03 0.00 0.00 56.01 55.27 2dml n LEU 64 Cb 0.54 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2dml n LEU 64 CO 0.41 0.28 0.75 0.50 -1.33 0.00 0.00 177.39 178.00 2dml h LYS 65 N 1.22 -0.05 0.00 3.23 3.64 0.92 0.77 116.57 126.30 2dml h LYS 65 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.33 2dml h LYS 65 Cb 0.29 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2dml h LYS 65 CO 0.00 -0.04 -1.47 -0.25 -2.27 0.00 0.00 179.45 175.43 2dml n ASP 66 N -5.35 0.55 -0.01 4.20 8.00 -1.26 -4.47 116.55 118.20 2dml n ASP 66 Ca 0.03 0.22 -0.00 0.00 0.71 0.00 0.00 54.79 55.75 2dml n ASP 66 Cb 0.26 0.89 -0.00 0.00 -0.02 0.00 0.00 41.12 42.25 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 -3.32 2.53 2.07 -1.63 -3.46 116.25 112.45 2dml h VAL 67 Ca -0.07 -0.22 -0.63 0.00 0.82 0.00 0.00 66.70 66.60 2dml h VAL 67 Cb 1.19 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.60 2dml h VAL 67 CO 0.01 0.00 -0.82 -0.69 0.02 0.00 0.00 177.57 176.09 2dml s VAL 68 N -1.13 1.75 -0.58 2.57 1.01 0.26 -4.65 120.40 119.64 2dml s VAL 68 Ca -0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.75 2dml s VAL 68 Cb 0.00 -1.73 -0.10 0.00 0.00 0.00 0.00 36.38 34.55 2dml s VAL 68 CO 0.00 0.30 2.46 0.29 0.00 0.00 0.00 175.10 178.15 2dml n LYS 69 N 4.67 0.87 -3.23 2.72 4.76 -0.48 -4.20 118.16 123.27 2dml n LYS 69 Ca -0.16 0.02 -0.44 0.00 -2.87 0.00 0.00 58.31 54.86 2dml n LYS 69 Cb 0.48 -3.03 -0.07 0.00 -1.84 0.00 0.00 35.03 30.57 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 11.33 4.98 0.00 -0.18 1.01 -1.26 -0.75 120.40 135.53 2dml s VAL 70 Ca 1.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2dml s VAL 70 Cb -0.42 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.72 2dml s VAL 70 CO 0.32 -0.73 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2dml n GLY 71 N 5.18 1.53 3.36 4.51 0.00 -0.45 -2.11 105.19 117.21 2dml n GLY 71 Ca -0.08 -1.92 0.02 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 -2.61 -2.75 -0.18 4.61 0.00 -0.67 -4.29 121.76 115.86 2dml s ALA 72 Ca 0.00 1.96 -0.01 0.00 0.00 0.00 0.00 51.96 53.91 2dml s ALA 72 Cb 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 2dml s ALA 72 CO 0.00 -1.06 -0.12 0.08 0.00 0.00 0.00 175.76 174.67 2dml s VAL 73 N 2.58 2.87 -0.93 0.00 1.01 -0.55 -2.54 120.40 122.86 2dml s VAL 73 Ca -0.01 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2dml s VAL 73 Cb -0.08 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 2dml s VAL 73 CO -0.17 0.49 1.85 0.21 0.00 0.00 0.00 175.10 177.48 2dml s ASN 74 N 1.05 5.41 0.35 3.32 2.47 -1.26 -2.72 114.94 123.56 2dml s ASN 74 Ca -0.01 -0.84 0.17 0.00 0.42 0.00 0.00 52.86 52.61 2dml s ASN 74 Cb -0.15 -2.56 1.21 0.00 -1.45 0.00 0.00 41.25 38.30 2dml s ASN 74 CO -0.03 -2.50 1.62 0.00 -3.72 0.00 0.00 177.10 172.47 2dml h ALA 75 N 10.98 2.03 -0.24 1.71 0.00 -1.11 1.04 119.26 133.67 2dml h ALA 75 Ca 0.12 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2dml h ALA 75 Cb 1.01 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2dml h ALA 75 CO 1.25 -0.78 0.15 0.22 0.00 0.00 0.00 179.25 180.09 2dml h ASP 76 N 0.14 0.29 0.01 0.00 3.58 -1.87 -1.38 116.42 117.19 2dml h ASP 76 Ca 0.79 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 58.19 2dml h ASP 76 Cb 1.95 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.93 2dml h ASP 76 CO -0.71 0.26 -0.00 0.50 -2.88 0.00 0.00 179.24 176.41 2dml h LYS 77 N 0.30 -0.01 -1.97 0.28 3.64 -0.23 -3.34 116.57 115.24 2dml h LYS 77 Ca 0.09 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2dml h LYS 77 Cb 0.02 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2dml h LYS 77 CO -0.02 0.04 -0.07 0.72 -2.27 0.00 0.00 179.45 177.85 2dml n HIS 78 N -4.78 0.14 -0.41 1.91 8.25 0.30 -4.55 115.22 116.09 2dml n HIS 78 Ca -0.01 -1.23 0.37 0.00 -0.26 0.00 0.00 57.72 56.60 2dml n HIS 78 Cb 0.02 -0.86 0.72 0.00 1.12 0.00 0.00 29.99 30.99 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 1.65 0.06 -0.01 -0.41 4.20 -1.37 0.23 115.11 119.46 2dml h GLN 79 Ca 0.08 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 2dml h GLN 79 Cb 1.13 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 2dml h GLN 79 CO 0.14 0.04 0.00 0.77 -0.67 0.00 0.00 178.83 179.11 2dml h SER 80 N 0.06 0.01 0.27 1.46 0.02 -1.84 -1.23 113.55 112.30 2dml h SER 80 Ca 0.67 -0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.38 2dml h SER 80 Cb 2.50 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 65.02 2dml h SER 80 CO -0.09 0.24 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.52 2dml h LEU 81 N -0.23 -0.66 0.49 5.07 3.38 -0.93 0.39 115.31 122.82 2dml h LEU 81 Ca 0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2dml h LEU 81 Cb 0.24 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2dml h LEU 81 CO 0.00 -0.37 -0.42 1.23 0.09 0.00 0.00 178.44 178.97 2dml h GLY 82 N -0.55 -1.17 0.78 0.83 0.00 -1.47 -2.79 103.07 98.70 2dml h GLY 82 Ca -0.01 0.52 0.08 0.00 0.00 0.00 0.00 47.33 47.92 2dml h GLY 82 CO -0.04 -0.37 0.58 -1.33 0.00 0.00 0.00 176.54 175.39 2dml h GLY 83 N -0.89 1.31 1.57 4.60 0.00 -1.22 0.53 103.07 108.98 2dml h GLY 83 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2dml h GLY 83 CO -0.01 0.25 0.19 -1.61 0.00 0.00 0.00 176.54 175.35 2dml h GLN 84 N 0.96 0.00 0.00 4.80 4.15 0.06 -2.01 115.11 123.07 2dml h GLN 84 Ca 0.40 0.00 -0.26 0.00 0.77 0.00 0.00 58.65 59.56 2dml h GLN 84 Cb 0.31 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.95 2dml h GLN 84 CO -0.16 0.00 -1.98 0.66 -1.93 0.00 0.00 178.83 175.41 2dml n TYR 85 N -2.55 0.00 0.00 3.99 4.02 0.02 -5.03 117.16 117.62 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 0.23 -0.67 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 2.65 0.35 3.65 2.72 0.00 -0.29 -5.09 105.19 109.18 2dml n GLY 86 Ca -0.30 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.40 4.96 0.00 1.61 1.01 -0.71 -4.87 120.40 122.00 2dml s VAL 87 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2dml s VAL 87 Cb 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2dml s VAL 87 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.15 2dml n GLN 88 N 5.41 1.42 -3.85 2.72 6.02 -1.26 -4.24 117.38 123.61 2dml n GLN 88 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.76 2dml n GLN 88 Cb 0.49 -0.89 -0.17 0.00 1.02 0.00 0.00 30.24 30.69 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 -3.22 0.61 0.34 1.08 0.00 -1.26 -5.14 107.32 99.73 2dml s GLY 89 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.46 2dml s GLY 89 CO 0.00 0.98 0.52 -1.36 0.00 0.00 0.00 173.10 173.24 2dml s PHE 90 N 1.82 3.39 0.53 1.90 0.08 -1.26 -4.20 117.98 120.24 2dml s PHE 90 Ca 0.04 0.18 -0.20 0.00 0.12 0.00 0.00 56.93 57.07 2dml s PHE 90 Cb -0.12 -1.92 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 2dml s PHE 90 CO -0.06 0.08 1.14 -1.25 -0.10 0.00 0.00 175.22 175.02 2dml s PRO 91 N -4.28 3.41 -0.25 0.24 0.04 -1.26 -4.89 135.00 128.01 2dml s PRO 91 Ca 0.41 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.06 2dml s PRO 91 Cb -0.10 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.47 2dml s PRO 91 CO 0.34 -0.81 0.08 0.99 0.04 0.00 0.00 177.00 177.64 2dml s THR 92 N -1.74 0.47 0.02 1.26 2.01 -0.73 -4.99 115.64 111.95 2dml s THR 92 Ca 0.72 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 2dml s THR 92 Cb -0.25 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.02 2dml s THR 92 CO 0.28 -0.47 0.45 -0.63 -0.69 0.00 0.00 174.62 173.57 2dml s ILE 93 N 1.85 4.95 -0.02 1.82 1.01 -1.26 -0.02 121.20 129.54 2dml s ILE 93 Ca 0.05 0.93 0.03 0.00 0.00 0.00 0.00 60.65 61.66 2dml s ILE 93 Cb -0.17 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.54 2dml s ILE 93 CO -0.19 0.56 -0.12 -0.54 0.00 0.00 0.00 174.94 174.65 2dml s LYS 94 N -1.13 1.05 -0.14 2.79 -0.14 0.53 -2.88 119.74 119.83 2dml s LYS 94 Ca 0.26 -0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.40 2dml s LYS 94 Cb -0.17 -0.99 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 2dml s LYS 94 CO 0.15 0.21 0.06 0.42 -0.76 0.00 0.00 175.35 175.44 2dml s ILE 95 N -0.11 4.84 -0.12 2.17 1.01 -0.92 -1.73 121.20 126.35 2dml s ILE 95 Ca 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.65 2dml s ILE 95 Cb -0.06 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 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 -0.40 2.70 0.00 3.97 0.40 0.50 -0.58 117.98 124.56 2dml s PHE 96 Ca 0.09 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.62 2dml s PHE 96 Cb -0.12 -1.78 0.00 0.00 0.51 0.00 0.00 43.02 41.63 2dml s PHE 96 CO 0.02 -0.29 0.00 0.41 0.70 0.00 0.00 175.22 176.05 2dml n GLY 97 N 3.50 -1.64 0.39 4.36 0.00 -1.26 -2.11 105.19 108.42 2dml n GLY 97 Ca -0.18 0.65 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 1.93 -0.75 -3.76 4.61 0.00 -1.82 -3.36 119.26 116.10 2dml h ALA 98 Ca 0.00 -0.02 -0.66 0.00 0.00 0.00 0.00 54.91 54.23 2dml h ALA 98 Cb 0.00 1.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.44 2dml h ALA 98 CO 0.00 -0.96 -0.76 1.21 0.00 0.00 0.00 179.25 178.74 2dml s ASN 99 N -4.65 4.56 0.64 0.00 2.47 -1.26 -4.53 114.94 112.17 2dml s ASN 99 Ca -0.13 -1.74 0.41 0.00 0.42 0.00 0.00 52.86 51.83 2dml s ASN 99 Cb 0.07 -1.56 2.22 0.00 -1.45 0.00 0.00 41.25 40.54 2dml s ASN 99 CO 0.52 -0.28 2.31 0.11 -3.72 0.00 0.00 177.10 176.04 2dml h LYS 100 N 7.71 0.00 0.00 0.43 1.79 -1.95 -0.69 116.57 123.86 2dml h LYS 100 Ca -0.12 0.00 -0.18 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 31.65 2dml h LYS 100 CO 0.49 0.00 -0.97 -0.91 -1.08 0.00 0.00 179.45 176.98 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.95 -3.42 115.58 110.40 2dml h ASN 101 Ca -0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2dml h ASN 101 Cb 0.07 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.05 2dml h ASN 101 CO 0.00 0.78 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.24 2dml s LYS 102 N -2.81 0.76 1.07 0.81 1.02 -0.27 -5.09 119.74 115.24 2dml s LYS 102 Ca 0.01 -1.36 -0.15 0.00 0.02 0.00 0.00 55.97 54.49 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 0.79 -1.12 1.10 -1.25 -0.92 0.00 0.00 175.35 173.95 2dml s PRO 103 N 1.13 -0.17 0.27 -1.68 0.04 -1.21 -4.38 135.00 128.99 2dml s PRO 103 Ca 0.15 0.32 0.05 0.00 0.04 0.00 0.00 61.00 61.56 2dml s PRO 103 Cb -0.21 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dml s PRO 103 CO -0.10 -3.09 0.39 -1.21 0.04 0.00 0.00 177.00 173.03 2dml s GLU 104 N -5.09 3.37 -0.46 4.56 0.41 0.25 -4.89 118.70 116.85 2dml s GLU 104 Ca 0.67 -0.80 -0.27 0.00 -0.41 0.00 0.00 54.97 54.17 2dml s GLU 104 Cb -0.16 -2.87 0.03 0.00 -1.78 0.00 0.00 34.13 29.35 2dml s GLU 104 CO 0.57 0.34 0.99 -0.51 -0.49 0.00 0.00 175.26 176.16 2dml s ASP 105 N -4.03 6.55 -0.32 -0.19 1.11 -1.26 -2.17 116.67 116.37 2dml s ASP 105 Ca 0.37 0.25 -0.28 0.00 0.18 0.00 0.00 52.55 53.07 2dml s ASP 105 Cb -0.09 -2.48 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2dml s ASP 105 CO 0.30 -1.10 2.10 -0.47 1.18 0.00 0.00 175.17 177.18 2dml s TYR 106 N 3.94 1.37 -0.37 4.23 6.14 -1.14 -4.84 117.35 126.68 2dml s TYR 106 Ca 0.40 0.74 0.05 0.00 0.64 0.00 0.00 57.07 58.90 2dml s TYR 106 Cb -0.09 -3.94 0.45 0.00 0.42 0.00 0.00 41.96 38.79 2dml s TYR 106 CO 0.27 -3.40 1.31 1.04 0.64 0.00 0.00 175.55 175.41 2dml n GLN 107 N 8.73 3.46 -4.39 4.97 3.00 -1.26 -4.82 117.38 127.07 2dml n GLN 107 Ca 0.28 -4.09 -0.31 0.00 -0.01 0.00 0.00 57.00 52.88 2dml n GLN 107 Cb 0.47 -2.28 -0.04 0.00 0.00 0.00 0.00 30.24 28.40 2dml n GLN 107 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 2dml s GLY 108 N -3.31 2.79 0.08 1.08 0.00 -1.26 -5.08 107.32 101.63 2dml s GLY 108 Ca 0.52 -0.54 -0.31 0.00 0.00 0.00 0.00 44.72 44.39 2dml s GLY 108 CO -0.01 -2.10 1.75 -0.32 0.00 0.00 0.00 173.10 172.42 2dml s GLY 109 N -4.09 1.46 0.00 0.20 0.00 -1.26 -4.86 107.32 98.77 2dml s GLY 109 Ca 0.15 1.30 -0.03 0.00 0.00 0.00 0.00 44.72 46.14 2dml s GLY 109 CO 0.09 3.05 2.71 0.54 0.00 0.00 0.00 173.10 179.50 2dml n ARG 110 N 5.88 1.44 -4.91 2.90 1.74 -1.26 -3.00 116.66 119.44 2dml n ARG 110 Ca 0.17 -0.46 -0.26 0.00 -0.77 0.00 0.00 57.85 56.53 2dml n ARG 110 Cb 0.40 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.50 1.51 0.36 0.55 -4.23 -1.26 -4.87 115.64 108.20 2dml s THR 111 Ca 0.31 -0.79 0.31 0.00 -1.18 0.00 0.00 61.69 60.34 2dml s THR 111 Cb 0.15 -1.28 0.46 0.00 1.34 0.00 0.00 72.50 73.16 2dml s THR 111 CO 0.00 0.43 1.12 0.61 -0.54 0.00 0.00 174.62 176.24 2dml n GLY 112 N 2.90 -0.66 0.11 3.99 0.00 -0.93 0.21 105.19 110.82 2dml n GLY 112 Ca -0.17 0.52 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.17 -0.53 1.61 5.08 -1.91 -3.22 114.58 115.45 2dml h GLU 113 Ca 0.66 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.13 2dml h GLU 113 Cb 2.42 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 31.60 2dml h GLU 113 CO -0.15 -0.11 -0.21 0.00 -1.00 0.00 0.00 179.01 177.53 2dml h ALA 114 N -1.04 0.19 -0.83 3.43 0.00 -0.43 0.21 119.26 120.78 2dml h ALA 114 Ca -0.02 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.27 2dml h ALA 114 Cb 0.14 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 2dml h ALA 114 CO 0.03 -0.53 0.30 0.82 0.00 0.00 0.00 179.25 179.87 2dml h ILE 115 N -0.09 0.50 -0.96 0.00 2.04 -1.06 0.29 117.51 118.23 2dml h ILE 115 Ca 0.25 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2dml h ILE 115 Cb 0.47 0.11 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 2dml h ILE 115 CO -0.59 0.07 0.63 0.58 0.00 0.00 0.00 178.15 178.83 2dml h VAL 116 N 0.36 1.13 -0.05 1.67 2.07 -0.96 0.22 116.25 120.69 2dml h VAL 116 Ca 0.50 -0.40 -0.19 0.00 0.82 0.00 0.00 66.70 67.43 2dml h VAL 116 Cb 0.90 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2dml h VAL 116 CO -0.52 0.21 -0.69 -0.78 0.02 0.00 0.00 177.57 175.81 2dml h ASP 117 N 1.17 0.69 -0.36 0.57 1.82 -0.28 -2.91 116.42 117.13 2dml h ASP 117 Ca 0.39 -0.71 -0.02 0.00 -0.39 0.00 0.00 57.03 56.31 2dml h ASP 117 Cb 0.07 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 2dml h ASP 117 CO -0.13 1.30 0.16 0.00 -1.61 0.00 0.00 179.24 178.96 2dml h ALA 118 N 0.41 0.47 -0.52 -0.78 0.00 -0.21 -1.40 119.26 117.22 2dml h ALA 118 Ca -0.07 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.74 2dml h ALA 118 Cb 1.37 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2dml h ALA 118 CO 0.14 0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.74 2dml h ALA 119 N 1.01 0.66 0.56 0.00 0.00 -0.66 -2.68 119.26 118.15 2dml h ALA 119 Ca 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2dml h ALA 119 Cb 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dml h ALA 119 CO -0.01 -0.00 -0.27 -0.07 0.00 0.00 0.00 179.25 178.89 2dml h LEU 120 N 0.59 -0.64 -0.95 0.00 3.38 -1.34 -0.40 115.31 115.95 2dml h LEU 120 Ca 0.21 -0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.44 2dml h LEU 120 Cb 0.04 0.17 -0.17 0.00 0.09 0.00 0.00 40.66 40.79 2dml h LEU 120 CO -0.10 -0.38 0.15 -1.28 0.09 0.00 0.00 178.44 176.92 2dml h SER 121 N -0.87 -0.24 -0.05 -0.43 0.87 -1.14 0.68 113.55 112.36 2dml h SER 121 Ca -0.08 0.25 -0.20 0.00 -1.23 0.00 0.00 61.79 60.53 2dml h SER 121 Cb 0.62 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2dml h SER 121 CO 0.13 -0.31 -0.71 0.00 -0.53 0.00 0.00 176.83 175.40 2dml h ALA 122 N 1.92 0.44 -0.01 6.23 0.00 -1.31 -1.79 119.26 124.73 2dml h ALA 122 Ca 0.61 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2dml h ALA 122 Cb 1.32 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 2dml h ALA 122 CO -0.82 0.70 -0.27 1.25 0.00 0.00 0.00 179.25 180.11 2dml h LEU 123 N 0.49 -0.79 -0.52 0.00 7.12 0.21 -2.48 115.31 119.33 2dml h LEU 123 Ca -0.03 0.11 -0.15 0.00 0.13 0.00 0.00 57.88 57.94 2dml h LEU 123 Cb 1.32 0.33 -0.01 0.00 -0.53 0.00 0.00 40.66 41.77 2dml h LEU 123 CO 0.14 -0.33 -0.41 0.08 -0.13 0.00 0.00 178.44 177.79 2dml h ARG 124 N -0.40 0.74 -0.76 1.25 0.11 -1.28 -3.27 114.38 110.77 2dml h ARG 124 Ca 0.07 -0.39 0.11 0.00 0.10 0.00 0.00 59.98 59.86 2dml h ARG 124 Cb 0.49 0.01 -0.12 0.00 1.11 0.00 0.00 29.97 31.47 2dml h ARG 124 CO -0.24 1.02 -0.32 -1.13 0.10 0.00 0.00 179.97 179.40 2dml n SER 125 N -4.04 -0.54 0.00 0.08 3.41 -0.67 -4.78 113.62 107.09 2dml n SER 125 Ca -0.02 1.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.93 2dml n SER 125 Cb 0.54 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2dml n SER 125 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dml n GLY 126 N -1.34 0.68 0.20 5.00 0.00 -1.19 -5.03 105.19 103.51 2dml n GLY 126 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.02 2dml n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dml h PRO 127 N 0.00 0.00 -4.63 1.61 0.13 -1.77 -3.42 132.00 123.92 2dml h PRO 127 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 2dml h PRO 127 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 2dml h PRO 127 CO 0.00 0.33 0.13 0.45 -0.23 0.00 0.00 178.00 178.68 2dml n SER 128 N -3.69 0.15 -4.31 1.44 2.88 -1.26 -3.80 113.62 105.03 2dml n SER 128 Ca -0.01 0.90 -0.46 0.00 -1.33 0.00 0.00 58.87 57.97 2dml n SER 128 Cb 0.44 -0.71 -0.02 0.00 -0.75 0.00 0.00 64.21 63.17 2dml n SER 128 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dml s SER 129 N 0.38 6.80 0.00 -3.46 0.01 -1.26 -4.79 113.70 111.38 2dml s SER 129 Ca 0.72 -2.95 0.00 0.00 1.31 0.00 0.00 55.95 55.03 2dml s SER 129 Cb -1.01 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.04 2dml s SER 129 CO 0.47 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.25