#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dml h SER 2 N 0.00 0.34 -3.89 1.61 4.64 -2.05 -3.43 113.55 110.78 2dml h SER 2 Ca 0.00 0.04 -0.45 0.00 -0.47 0.00 0.00 61.79 60.91 2dml h SER 2 Cb 0.00 -0.03 0.16 0.00 -0.31 0.00 0.00 62.40 62.22 2dml h SER 2 CO 0.00 0.24 0.40 -0.55 -0.87 0.00 0.00 176.83 176.04 2dml s SER 3 N -5.48 3.26 0.13 4.97 0.15 -1.26 -5.11 113.70 110.36 2dml s SER 3 Ca -0.13 0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2dml s SER 3 Cb 0.14 -0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2dml s SER 3 CO 0.74 -2.63 0.01 0.61 1.20 0.00 0.00 173.24 173.17 2dml n GLY 4 N -3.68 3.97 3.50 9.45 0.00 -1.26 -5.12 105.19 112.05 2dml n GLY 4 Ca 0.15 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.78 2dml n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dml s SER 5 N -1.72 3.04 -0.03 1.61 1.04 -1.26 -5.04 113.70 111.34 2dml s SER 5 Ca 0.02 -1.30 0.06 0.00 0.48 0.00 0.00 55.95 55.22 2dml s SER 5 Cb 0.00 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2dml s SER 5 CO 0.01 -0.44 -0.21 -0.44 0.98 0.00 0.00 173.24 173.14 2dml s SER 6 N -3.54 3.45 0.00 7.02 0.01 -1.26 -4.86 113.70 114.51 2dml s SER 6 Ca 0.33 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2dml s SER 6 Cb 0.07 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2dml s SER 6 CO 0.15 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2dml n GLY 7 N 2.40 1.27 3.08 3.44 0.00 -1.26 -5.14 105.19 108.98 2dml n GLY 7 Ca -0.16 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2dml n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml n ALA 8 N 0.00 -5.17 -3.53 4.61 0.00 -1.26 -5.00 120.51 110.16 2dml n ALA 8 Ca 0.00 -1.05 -0.22 0.00 0.00 0.00 0.00 53.44 52.17 2dml n ALA 8 Cb 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.19 2dml n ALA 8 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dml s VAL 9 N -2.07 -0.21 -1.40 0.00 1.01 -1.26 -4.89 120.40 111.58 2dml s VAL 9 Ca 0.42 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2dml s VAL 9 Cb -0.06 -0.70 0.18 0.00 0.00 0.00 0.00 36.38 35.80 2dml s VAL 9 CO 0.72 -0.32 0.44 -1.20 0.00 0.00 0.00 175.10 174.74 2dml n SER 10 N 5.29 -1.38 0.00 3.32 7.64 -1.26 -4.51 113.62 122.72 2dml n SER 10 Ca -0.06 -0.91 0.00 0.00 1.01 0.00 0.00 58.87 58.91 2dml n SER 10 Cb 0.48 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2dml n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dml n GLY 11 N -0.91 1.46 0.08 0.23 0.00 -1.26 -2.63 105.19 102.15 2dml n GLY 11 Ca 0.09 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.35 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 1.97 -4.92 0.99 4.77 -1.26 -5.02 117.00 113.53 2dml n LEU 12 Ca 0.00 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 2dml n LEU 12 Cb 0.00 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 40.85 2dml n LEU 12 CO 0.00 0.63 0.54 -0.31 -1.33 0.00 0.00 177.39 176.92 2dml s TYR 13 N -2.33 3.14 0.01 -1.77 1.51 -1.08 -5.11 117.35 111.72 2dml s TYR 13 Ca -0.17 0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.46 2dml s TYR 13 Cb 0.05 -2.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 2dml s TYR 13 CO 0.44 -0.99 -0.08 -1.12 -1.11 0.00 0.00 175.55 172.69 2dml s SER 14 N -4.37 0.97 0.62 2.29 0.01 -1.26 -4.71 113.70 107.25 2dml s SER 14 Ca 0.56 -0.25 0.30 0.00 1.31 0.00 0.00 55.95 57.87 2dml s SER 14 Cb -0.11 -0.08 1.62 0.00 0.21 0.00 0.00 66.02 67.67 2dml s SER 14 CO 0.45 0.03 1.98 0.77 0.41 0.00 0.00 173.24 176.88 2dml h SER 15 N 5.58 0.00 -0.88 2.44 4.64 -1.94 0.06 113.55 123.44 2dml h SER 15 Ca -0.32 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2dml h SER 15 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 2dml h SER 15 CO 0.47 0.00 0.53 0.77 -0.87 0.00 0.00 176.83 177.74 2dml h SER 16 N 0.00 1.06 -2.11 4.97 4.64 -1.95 -3.44 113.55 116.72 2dml h SER 16 Ca 0.10 -0.06 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 2dml h SER 16 Cb 0.77 -0.27 0.09 0.00 -0.31 0.00 0.00 62.40 62.69 2dml h SER 16 CO -0.00 0.81 -0.01 0.47 -0.87 0.00 0.00 176.83 177.23 2dml n ASP 17 N -4.36 -2.19 0.19 4.97 8.00 0.01 -4.93 116.55 118.22 2dml n ASP 17 Ca 0.10 -0.61 0.12 0.00 0.71 0.00 0.00 54.79 55.11 2dml n ASP 17 Cb 0.06 -0.45 0.18 0.00 -0.02 0.00 0.00 41.12 40.89 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 -2.23 0.00 -3.34 -2.24 5.19 -1.84 -3.45 116.42 108.50 2dml h ASP 18 Ca -0.18 -0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 55.70 2dml h ASP 18 Cb 0.58 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.10 2dml h ASP 18 CO 0.11 0.00 0.58 -0.69 -3.12 0.00 0.00 179.24 176.12 2dml s VAL 19 N -3.22 3.68 -0.24 -1.35 1.01 -1.26 -4.75 120.40 114.28 2dml s VAL 19 Ca 0.06 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 2dml s VAL 19 Cb 0.07 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 2dml s VAL 19 CO 0.68 0.17 0.63 -0.63 0.00 0.00 0.00 175.10 175.94 2dml s ILE 20 N 0.41 5.00 -0.60 2.22 1.01 -0.88 -4.62 121.20 123.73 2dml s ILE 20 Ca 0.56 1.14 -0.26 0.00 0.00 0.00 0.00 60.65 62.09 2dml s ILE 20 Cb -0.32 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 2dml s ILE 20 CO 0.34 0.06 2.03 -0.70 0.00 0.00 0.00 174.94 176.66 2dml s GLU 21 N 2.30 2.45 0.08 2.79 2.56 -1.26 -1.74 118.70 125.87 2dml s GLU 21 Ca 0.27 0.76 -0.26 0.00 0.00 0.00 0.00 54.97 55.74 2dml s GLU 21 Cb -0.16 -4.50 -0.06 0.00 2.00 0.00 0.00 34.13 31.41 2dml s GLU 21 CO 0.09 -2.98 0.79 -0.51 -0.56 0.00 0.00 175.26 172.09 2dml s LEU 22 N 10.17 4.49 0.14 2.70 1.43 -1.02 -4.93 118.68 131.65 2dml s LEU 22 Ca 0.76 1.53 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 2dml s LEU 22 Cb -0.13 -3.28 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 2dml s LEU 22 CO 0.20 0.05 -0.03 0.42 0.23 0.00 0.00 176.35 177.22 2dml s THR 23 N -0.32 0.70 -1.16 5.49 -4.23 -1.26 -4.48 115.64 110.38 2dml s THR 23 Ca 0.39 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2dml s THR 23 Cb -0.21 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.72 2dml s THR 23 CO 0.24 -0.67 0.28 -0.81 -0.54 0.00 0.00 174.62 173.13 2dml n PRO 24 N -0.15 0.49 0.00 3.99 -0.04 -1.26 0.45 135.00 138.49 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 0.62 -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 0.13 4.21 0.00 3.54 7.64 -1.26 -4.80 113.62 123.08 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 0.76 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 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 -1.36 3.08 -0.41 6.43 6.94 -0.82 -4.74 115.26 124.36 2dml n ASN 26 Ca 0.00 -0.06 0.35 0.00 -0.02 0.00 0.00 54.58 54.85 2dml n ASN 26 Cb 0.08 0.74 0.59 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 -1.05 0.60 0.12 -2.53 -0.00 0.17 0.21 117.46 114.99 2dml n PHE 27 Ca 0.00 0.61 -0.24 0.00 -0.00 0.00 0.00 57.45 57.81 2dml n PHE 27 Cb 0.00 -1.03 -0.16 0.00 -0.00 0.00 0.00 39.48 38.30 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 0.77 0.55 -2.13 -1.24 -1.85 0.18 115.58 111.86 2dml h ASN 28 Ca 0.76 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.85 2dml h ASN 28 Cb 2.47 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 41.27 2dml h ASN 28 CO -0.40 1.71 -0.02 0.54 -1.29 0.00 0.00 177.43 177.97 2dml n ARG 29 N -3.73 0.44 -0.08 6.67 5.12 0.58 0.24 116.66 125.90 2dml n ARG 29 Ca -0.19 -0.03 -0.16 0.00 -1.93 0.00 0.00 57.85 55.54 2dml n ARG 29 Cb 1.08 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 30.82 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 -1.25 0.37 -0.04 5.56 -0.58 0.48 -4.57 120.64 120.60 2dml n GLU 30 Ca 0.14 0.14 -0.04 0.00 -0.42 0.00 0.00 57.16 56.97 2dml n GLU 30 Cb 0.25 -1.16 -0.01 0.00 -0.57 0.00 0.00 31.44 29.95 2dml n GLU 30 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dml n VAL 31 N -3.52 0.74 -0.29 2.62 0.31 0.03 -4.22 118.33 114.01 2dml n VAL 31 Ca -0.32 0.31 0.25 0.00 -0.01 0.00 0.00 64.34 64.58 2dml n VAL 31 Cb 0.75 -1.88 0.59 0.00 -0.91 0.00 0.00 33.84 32.39 2dml n VAL 31 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dml h ILE 32 N -0.47 0.53 -0.76 2.52 1.08 -1.20 0.62 117.51 119.83 2dml h ILE 32 Ca 0.00 -0.09 -0.40 0.00 -0.39 0.00 0.00 64.86 63.98 2dml h ILE 32 Cb 0.47 0.24 -0.23 0.00 -3.07 0.00 0.00 36.82 34.22 2dml h ILE 32 CO 0.00 0.05 0.51 0.00 -0.69 0.00 0.00 178.15 178.02 2dml n GLN 33 N -4.47 1.97 -3.74 2.37 1.13 0.65 -4.76 117.38 110.53 2dml n GLN 33 Ca 0.23 -2.30 -0.29 0.00 -1.94 0.00 0.00 57.00 52.70 2dml n GLN 33 Cb 0.93 -1.90 -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 -0.76 3.77 0.54 1.08 0.15 0.22 -4.82 113.70 113.88 2dml s SER 34 Ca 0.44 -1.42 0.25 0.00 0.70 0.00 0.00 55.95 55.92 2dml s SER 34 Cb 0.37 -0.81 1.41 0.00 -1.71 0.00 0.00 66.02 65.28 2dml s SER 34 CO 0.08 -0.38 2.00 -2.24 1.20 0.00 0.00 173.24 173.90 2dml h ASP 35 N 8.13 0.00 -2.18 5.45 2.03 -1.86 -3.42 116.42 124.56 2dml h ASP 35 Ca -0.15 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.02 2dml h ASP 35 Cb 1.04 0.00 0.07 0.00 -0.83 0.00 0.00 39.33 39.61 2dml h ASP 35 CO 0.44 0.00 0.05 0.61 -1.03 0.00 0.00 179.24 179.31 2dml n GLY 36 N -1.62 -2.44 3.84 7.15 0.00 -1.26 -5.00 105.19 105.85 2dml n GLY 36 Ca 0.09 -1.48 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 4.02 -0.03 0.99 2.96 -1.26 -4.76 118.68 120.60 2dml s LEU 37 Ca 0.25 1.40 -0.01 0.00 -0.22 0.00 0.00 54.13 55.55 2dml s LEU 37 Cb -0.02 -4.22 0.03 0.00 0.50 0.00 0.00 46.19 42.48 2dml s LEU 37 CO 0.19 -0.26 0.03 0.26 -1.32 0.00 0.00 176.35 175.25 2dml s TRP 38 N -2.05 0.12 -0.43 5.38 0.52 -0.67 -2.47 118.94 119.33 2dml s TRP 38 Ca 0.57 0.13 -0.07 0.00 0.02 0.00 0.00 56.10 56.74 2dml s TRP 38 Cb -0.10 -0.36 0.10 0.00 -1.15 0.00 0.00 33.47 31.97 2dml s TRP 38 CO 0.16 -0.13 0.27 -0.51 0.02 0.00 0.00 176.95 176.76 2dml s LEU 39 N 1.40 5.35 -0.21 2.99 1.43 -0.36 -0.64 118.68 128.64 2dml s LEU 39 Ca -0.05 -1.80 -0.10 0.00 -1.03 0.00 0.00 54.13 51.16 2dml s LEU 39 Cb -0.13 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 2dml s LEU 39 CO -0.03 -0.59 0.13 -0.69 0.23 0.00 0.00 176.35 175.40 2dml s VAL 40 N 1.32 5.26 -0.09 -1.59 1.01 -0.86 -1.88 120.40 123.56 2dml s VAL 40 Ca 0.05 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2dml s VAL 40 Cb -0.24 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 2dml s VAL 40 CO -0.01 0.41 -0.17 -0.70 0.00 0.00 0.00 175.10 174.63 2dml s GLU 41 N 0.66 2.99 -0.51 2.72 -6.30 -1.26 -0.80 118.70 116.20 2dml s GLU 41 Ca 0.07 -0.75 -0.13 0.00 -2.50 0.00 0.00 54.97 51.66 2dml s GLU 41 Cb -0.12 -2.45 0.12 0.00 0.00 0.00 0.00 34.13 31.68 2dml s GLU 41 CO 0.01 0.34 0.43 -0.06 0.02 0.00 0.00 175.26 175.99 2dml s PHE 42 N 0.00 3.31 0.56 5.30 0.40 0.11 -1.36 117.98 126.31 2dml s PHE 42 Ca -0.05 -1.46 0.05 0.00 -0.60 0.00 0.00 56.93 54.87 2dml s PHE 42 Cb -0.15 -3.61 0.05 0.00 0.51 0.00 0.00 43.02 39.83 2dml s PHE 42 CO 0.05 -0.98 0.43 1.52 0.70 0.00 0.00 175.22 176.93 2dml s TYR 43 N 1.52 1.47 -0.05 0.36 -0.85 -1.11 -1.90 117.35 116.78 2dml s TYR 43 Ca 0.04 -0.88 -0.02 0.00 -0.52 0.00 0.00 57.07 55.69 2dml s TYR 43 Cb -0.28 -1.90 0.03 0.00 0.38 0.00 0.00 41.96 40.19 2dml s TYR 43 CO 0.02 -0.56 0.03 0.00 -1.52 0.00 0.00 175.55 173.52 2dml s ALA 44 N -2.81 0.40 -2.00 9.51 0.00 -1.26 -0.90 121.76 124.71 2dml s ALA 44 Ca 0.33 0.08 0.04 0.00 0.00 0.00 0.00 51.96 52.41 2dml s ALA 44 Cb -0.03 -0.63 0.26 0.00 0.00 0.00 0.00 23.12 22.72 2dml s ALA 44 CO 0.21 -0.44 0.73 -0.35 0.00 0.00 0.00 175.76 175.91 2dml n PRO 45 N 5.13 0.49 -0.00 0.00 -0.04 -1.26 -1.85 135.00 137.46 2dml n PRO 45 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2dml n PRO 45 Cb 0.50 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.64 0.00 -2.36 0.54 4.27 -1.26 -5.04 117.44 112.95 2dml n TRP 46 Ca 0.03 0.00 -0.25 0.00 -3.89 0.00 0.00 57.50 53.39 2dml n TRP 46 Cb 0.01 -0.01 0.11 0.00 -1.36 0.00 0.00 31.31 30.07 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 -3.04 -0.46 0.57 0.00 0.00 -1.26 -3.97 105.19 97.04 2dml n GLY 48 Ca 0.13 0.00 0.40 0.00 0.00 0.00 0.00 46.02 46.55 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 0.05 0.17 1.61 -0.00 -1.95 0.16 115.15 115.19 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 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2dml h HIS 49 CO 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 177.93 177.84 2dml h GLN 51 N -0.60 0.00 -0.01 0.00 4.20 -0.82 0.29 115.11 118.17 2dml h GLN 51 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2dml h GLN 51 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2dml h GLN 51 CO 0.04 0.00 -0.23 0.54 -0.67 0.00 0.00 178.83 178.50 2dml n ARG 52 N -2.72 0.77 -0.27 1.46 5.12 -0.89 -3.57 116.66 116.55 2dml n ARG 52 Ca -0.02 -0.42 0.11 0.00 -1.93 0.00 0.00 57.85 55.59 2dml n ARG 52 Cb 0.07 -1.49 0.26 0.00 -1.16 0.00 0.00 32.46 30.13 2dml n ARG 52 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2dml n LEU 53 N -0.75 3.65 0.06 0.55 7.94 0.10 -4.46 117.00 124.10 2dml n LEU 53 Ca 0.12 -1.74 -0.13 0.00 -1.11 0.00 0.00 56.01 53.15 2dml n LEU 53 Cb 0.33 -0.35 -0.09 0.00 0.53 0.00 0.00 43.42 43.84 2dml n LEU 53 CO 0.26 0.85 0.60 0.74 -1.11 0.00 0.00 177.39 178.73 2dml h THR 54 N 4.26 1.04 -0.03 1.96 2.02 -1.61 -0.62 112.91 119.92 2dml h THR 54 Ca 0.00 -0.84 -0.11 0.00 0.77 0.00 0.00 66.41 66.24 2dml h THR 54 Cb 0.97 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 2dml h THR 54 CO 0.00 0.19 -0.48 1.55 0.37 0.00 0.00 175.52 177.16 2dml h PRO 55 N -0.58 0.07 -0.06 6.66 0.13 -1.84 -1.41 132.00 134.96 2dml h PRO 55 Ca -0.02 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 64.89 2dml h PRO 55 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.60 2dml h PRO 55 CO 0.03 0.53 -0.70 0.93 -0.23 0.00 0.00 178.00 178.57 2dml h GLU 56 N 0.06 0.58 -0.19 0.86 5.08 -1.78 -2.66 114.58 116.53 2dml h GLU 56 Ca 0.00 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 2dml h GLU 56 Cb 0.87 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2dml h GLU 56 CO 0.07 1.16 -0.19 2.35 -1.00 0.00 0.00 179.01 181.40 2dml h TRP 57 N 0.19 0.55 0.23 4.33 -0.00 -1.07 -0.39 115.95 119.80 2dml h TRP 57 Ca -0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 58.89 58.66 2dml h TRP 57 Cb 1.36 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 30.39 2dml h TRP 57 CO 0.12 0.82 -0.23 0.87 -0.00 0.00 0.00 178.44 180.02 2dml h LYS 58 N 0.13 -0.47 -0.86 2.65 1.57 -1.35 -1.83 116.57 116.41 2dml h LYS 58 Ca 0.03 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.00 2dml h LYS 58 Cb 0.73 0.11 -0.15 0.00 0.08 0.00 0.00 32.23 32.99 2dml h LYS 58 CO 0.05 -0.32 -0.30 0.87 -0.57 0.00 0.00 179.45 179.18 2dml h LYS 59 N -0.49 -0.04 -0.83 3.15 1.57 -1.53 0.49 116.57 118.89 2dml h LYS 59 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2dml h LYS 59 Cb 0.46 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 2dml h LYS 59 CO -0.05 -0.02 0.49 0.00 -0.57 0.00 0.00 179.45 179.29 2dml h ALA 60 N 1.52 1.06 -0.01 3.86 0.00 -1.48 -1.90 119.26 122.31 2dml h ALA 60 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2dml h ALA 60 Cb 0.61 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2dml h ALA 60 CO -0.89 0.54 0.01 0.00 0.00 0.00 0.00 179.25 178.92 2dml h ALA 61 N 1.26 2.01 -0.18 0.00 0.00 0.75 0.23 119.26 123.34 2dml h ALA 61 Ca 0.30 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2dml h ALA 61 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dml h ALA 61 CO -0.05 -0.02 -0.16 1.15 0.00 0.00 0.00 179.25 180.17 2dml h THR 62 N 0.00 1.33 -0.06 0.00 2.02 -0.24 0.24 112.91 116.21 2dml h THR 62 Ca 0.01 -1.31 -0.16 0.00 0.77 0.00 0.00 66.41 65.72 2dml h THR 62 Cb 0.02 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.22 2dml h THR 62 CO -0.00 0.39 -0.57 0.00 0.37 0.00 0.00 175.52 175.71 2dml h ALA 63 N 0.64 0.15 -0.28 6.16 0.00 -1.24 -3.14 119.26 121.54 2dml h ALA 63 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2dml h ALA 63 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dml h ALA 63 CO 0.04 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2dml n LEU 64 N -4.20 1.73 -0.23 0.00 4.77 0.77 -4.24 117.00 115.60 2dml n LEU 64 Ca -0.09 -0.87 0.02 0.00 -0.03 0.00 0.00 56.01 55.04 2dml n LEU 64 Cb 0.64 -0.25 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 2dml n LEU 64 CO 0.47 0.39 1.00 0.50 -1.33 0.00 0.00 177.39 178.42 2dml h LYS 65 N 1.68 0.43 0.00 3.23 3.64 -0.45 0.40 116.57 125.50 2dml h LYS 65 Ca 0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2dml h LYS 65 Cb 0.48 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2dml h LYS 65 CO 0.03 0.28 -1.86 -0.25 -2.27 0.00 0.00 179.45 175.38 2dml n ASP 66 N -4.98 0.17 0.00 4.20 9.92 -1.26 -4.58 116.55 120.02 2dml n ASP 66 Ca 0.11 0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 2dml n ASP 66 Cb 0.31 1.56 0.00 0.00 -0.64 0.00 0.00 41.12 42.36 2dml n ASP 66 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2dml n VAL 67 N -2.41 0.00 -4.09 2.53 0.31 -0.97 -4.88 118.33 108.82 2dml n VAL 67 Ca -0.07 0.47 -0.33 0.00 -0.01 0.00 0.00 64.34 64.40 2dml n VAL 67 Cb 0.65 -1.41 -0.16 0.00 -0.91 0.00 0.00 33.84 32.01 2dml n VAL 67 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2dml s VAL 68 N -0.94 2.16 -0.50 2.52 1.01 0.14 -4.73 120.40 120.07 2dml s VAL 68 Ca 0.00 -1.16 -0.28 0.00 0.00 0.00 0.00 61.98 60.54 2dml s VAL 68 Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2dml s VAL 68 CO 0.00 0.34 2.40 0.29 0.00 0.00 0.00 175.10 178.13 2dml n LYS 69 N 4.57 1.05 -3.30 2.72 4.76 -1.03 -4.23 118.16 122.70 2dml n LYS 69 Ca -0.18 0.11 -0.45 0.00 -2.87 0.00 0.00 58.31 54.91 2dml n LYS 69 Cb 0.47 -3.08 -0.06 0.00 -1.84 0.00 0.00 35.03 30.52 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 10.78 5.13 0.00 -0.18 1.01 -1.26 -1.22 120.40 134.65 2dml s VAL 70 Ca 1.04 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2dml s VAL 70 Cb -0.40 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 31.73 2dml s VAL 70 CO 0.33 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 175.29 2dml n GLY 71 N 5.22 1.48 3.30 4.51 0.00 -0.79 -2.07 105.19 116.84 2dml n GLY 71 Ca -0.12 -1.82 0.03 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.08 -2.97 -0.16 4.61 0.00 -0.71 -4.38 121.76 115.07 2dml s ALA 72 Ca 0.00 1.92 -0.00 0.00 0.00 0.00 0.00 51.96 53.88 2dml s ALA 72 Cb 0.00 -2.17 -0.00 0.00 0.00 0.00 0.00 23.12 20.95 2dml s ALA 72 CO 0.00 -0.99 -0.14 0.08 0.00 0.00 0.00 175.76 174.72 2dml s VAL 73 N 2.32 2.77 -0.86 0.00 1.01 -0.46 -2.45 120.40 122.73 2dml s VAL 73 Ca -0.01 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 2dml s VAL 73 Cb -0.04 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2dml s VAL 73 CO -0.17 0.51 1.55 0.21 0.00 0.00 0.00 175.10 177.20 2dml s ASN 74 N 0.85 5.99 0.37 3.32 2.47 -1.26 -2.75 114.94 123.92 2dml s ASN 74 Ca -0.04 -0.77 0.19 0.00 0.42 0.00 0.00 52.86 52.65 2dml s ASN 74 Cb -0.15 -2.56 1.17 0.00 -1.45 0.00 0.00 41.25 38.26 2dml s ASN 74 CO -0.00 -1.95 1.67 0.00 -3.72 0.00 0.00 177.10 173.10 2dml h ALA 75 N 10.84 2.18 -0.28 1.71 0.00 -1.31 1.05 119.26 133.46 2dml h ALA 75 Ca -0.02 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2dml h ALA 75 Cb 1.04 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2dml h ALA 75 CO 1.32 -0.77 0.14 0.22 0.00 0.00 0.00 179.25 180.16 2dml h ASP 76 N 0.28 0.37 0.00 0.00 3.58 -1.89 -1.24 116.42 117.52 2dml h ASP 76 Ca 0.73 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 58.06 2dml h ASP 76 Cb 1.86 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.82 2dml h ASP 76 CO -0.51 0.38 -0.04 0.50 -2.88 0.00 0.00 179.24 176.69 2dml h LYS 77 N 0.32 0.00 -1.96 0.28 3.64 -0.65 -3.34 116.57 114.87 2dml h LYS 77 Ca 0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2dml h LYS 77 Cb 0.11 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2dml h LYS 77 CO -0.01 0.01 0.02 0.72 -2.27 0.00 0.00 179.45 177.92 2dml n HIS 78 N -4.76 0.14 -0.40 1.91 8.25 0.32 -4.55 115.22 116.12 2dml n HIS 78 Ca -0.01 -1.11 0.33 0.00 -0.26 0.00 0.00 57.72 56.68 2dml n HIS 78 Cb 0.03 -0.59 0.61 0.00 1.12 0.00 0.00 29.99 31.15 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 1.14 0.13 -0.20 -0.41 4.20 -1.35 0.52 115.11 119.14 2dml h GLN 79 Ca 0.04 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2dml h GLN 79 Cb 1.02 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 2dml h GLN 79 CO 0.08 0.09 0.12 1.03 -0.67 0.00 0.00 178.83 179.48 2dml h SER 80 N 0.13 0.20 0.21 1.46 0.87 -1.84 -1.58 113.55 113.00 2dml h SER 80 Ca 0.79 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.34 2dml h SER 80 Cb 2.33 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 64.24 2dml h SER 80 CO -0.48 0.15 -0.13 -0.07 -0.53 0.00 0.00 176.83 175.77 2dml h LEU 81 N 0.25 -0.31 -0.37 2.23 3.38 -0.34 0.13 115.31 120.27 2dml h LEU 81 Ca 0.08 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2dml h LEU 81 Cb -0.01 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 2dml h LEU 81 CO -0.03 -0.20 -0.37 1.23 0.09 0.00 0.00 178.44 179.16 2dml h GLY 82 N -0.32 -1.37 0.20 0.83 0.00 -1.52 -1.16 103.07 99.72 2dml h GLY 82 Ca -0.03 0.81 0.12 0.00 0.00 0.00 0.00 47.33 48.23 2dml h GLY 82 CO 0.03 -0.33 0.22 -1.33 0.00 0.00 0.00 176.54 175.13 2dml h GLY 83 N -0.19 0.94 0.77 4.60 0.00 -1.34 0.19 103.07 108.04 2dml h GLY 83 Ca 0.06 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.32 2dml h GLY 83 CO -0.45 -0.09 0.60 -1.61 0.00 0.00 0.00 176.54 174.98 2dml h GLN 84 N 0.36 0.00 0.00 4.80 4.15 0.56 0.84 115.11 125.82 2dml h GLN 84 Ca 0.36 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.45 2dml h GLN 84 Cb 0.52 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.15 2dml h GLN 84 CO -0.39 0.00 -2.25 0.66 -1.93 0.00 0.00 178.83 174.92 2dml n TYR 85 N -2.82 0.00 0.00 3.99 4.02 0.54 -5.02 117.16 117.87 2dml n TYR 85 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2dml n TYR 85 Cb 0.65 -0.85 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 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 2.41 0.71 3.60 2.72 0.00 0.29 -5.11 105.19 109.80 2dml n GLY 86 Ca -0.38 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.71 4.52 -0.02 1.61 1.01 -0.91 -4.83 120.40 121.07 2dml s VAL 87 Ca 0.00 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.13 2dml s VAL 87 Cb 0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 2dml s VAL 87 CO 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 175.10 174.46 2dml n GLN 88 N 6.96 3.63 -3.82 2.72 10.64 -1.26 -4.23 117.38 132.03 2dml n GLN 88 Ca 0.08 -0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 55.00 2dml n GLN 88 Cb 0.48 -1.05 -0.17 0.00 -0.86 0.00 0.00 30.24 28.64 2dml n GLN 88 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 2dml s GLY 89 N -3.25 0.60 0.30 2.61 0.00 -1.26 -5.14 107.32 101.17 2dml s GLY 89 Ca -0.01 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.49 2dml s GLY 89 CO 0.08 1.02 0.44 -1.36 0.00 0.00 0.00 173.10 173.28 2dml s PHE 90 N 1.88 3.27 0.57 1.90 0.08 -1.26 -4.23 117.98 120.19 2dml s PHE 90 Ca 0.05 -0.10 -0.19 0.00 0.12 0.00 0.00 56.93 56.82 2dml s PHE 90 Cb -0.12 -1.83 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2dml s PHE 90 CO -0.06 0.16 1.12 -1.25 -0.10 0.00 0.00 175.22 175.09 2dml s PRO 91 N -4.12 3.24 -0.19 0.24 0.04 -1.26 -4.90 135.00 128.05 2dml s PRO 91 Ca 0.40 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2dml s PRO 91 Cb -0.09 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.51 2dml s PRO 91 CO 0.31 -0.93 0.05 0.99 0.04 0.00 0.00 177.00 177.46 2dml s THR 92 N -1.89 0.34 0.00 1.26 2.01 -0.80 -4.99 115.64 111.57 2dml s THR 92 Ca 0.71 -0.45 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 2dml s THR 92 Cb -0.23 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2dml s THR 92 CO 0.30 -0.24 0.27 -0.63 -0.69 0.00 0.00 174.62 173.63 2dml s ILE 93 N 1.94 5.29 -0.00 1.82 1.01 -1.26 0.07 121.20 130.06 2dml s ILE 93 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2dml s ILE 93 Cb -0.17 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.73 2dml s ILE 93 CO -0.09 0.38 -0.04 -0.54 0.00 0.00 0.00 174.94 174.66 2dml s LYS 94 N -1.70 0.34 -0.15 2.79 -0.14 0.01 -3.28 119.74 117.62 2dml s LYS 94 Ca 0.27 -0.15 -0.06 0.00 -1.36 0.00 0.00 55.97 54.67 2dml s LYS 94 Cb -0.13 -0.33 -0.04 0.00 -1.68 0.00 0.00 37.83 35.64 2dml s LYS 94 CO 0.15 0.09 0.07 0.42 -0.76 0.00 0.00 175.35 175.32 2dml s ILE 95 N -0.08 4.85 -0.16 2.17 1.01 -0.43 -2.03 121.20 126.53 2dml s ILE 95 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2dml s ILE 95 Cb -0.02 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 2dml s ILE 95 CO -0.00 0.53 -0.16 -0.36 0.00 0.00 0.00 174.94 174.95 2dml s PHE 96 N -0.20 2.78 0.00 3.97 0.40 0.18 -0.91 117.98 124.21 2dml s PHE 96 Ca 0.08 -1.08 0.00 0.00 -0.60 0.00 0.00 56.93 55.33 2dml s PHE 96 Cb -0.12 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.52 2dml s PHE 96 CO 0.01 -0.50 0.00 0.41 0.70 0.00 0.00 175.22 175.85 2dml n GLY 97 N 4.10 -1.60 0.22 4.36 0.00 -1.26 -1.67 105.19 109.34 2dml n GLY 97 Ca -0.19 0.62 -0.06 0.00 0.00 0.00 0.00 46.02 46.38 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 1.82 -0.42 -3.73 4.61 0.00 -1.89 -3.35 119.26 116.30 2dml h ALA 98 Ca 0.00 0.03 -0.66 0.00 0.00 0.00 0.00 54.91 54.28 2dml h ALA 98 Cb 0.00 1.04 -0.39 0.00 0.00 0.00 0.00 17.79 18.44 2dml h ALA 98 CO 0.00 -0.58 -0.75 1.21 0.00 0.00 0.00 179.25 179.12 2dml s ASN 99 N -4.04 4.56 0.64 0.00 2.47 -1.26 -4.85 114.94 112.46 2dml s ASN 99 Ca -0.07 -1.81 0.38 0.00 0.42 0.00 0.00 52.86 51.79 2dml s ASN 99 Cb 0.05 -1.54 2.13 0.00 -1.45 0.00 0.00 41.25 40.44 2dml s ASN 99 CO 0.31 -0.31 2.28 0.11 -3.72 0.00 0.00 177.10 175.77 2dml h LYS 100 N 7.71 0.00 0.00 0.43 1.79 -1.96 -0.02 116.57 124.52 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 31.65 2dml h LYS 100 CO 0.49 0.00 -0.91 -0.91 -1.08 0.00 0.00 179.45 177.04 2dml h ASN 101 N 0.00 0.00 -3.02 0.86 2.35 -1.95 -3.41 115.58 110.41 2dml h ASN 101 Ca 0.01 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 2dml h ASN 101 Cb 0.09 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.06 2dml h ASN 101 CO -0.00 0.91 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.37 2dml s LYS 102 N -2.91 0.65 1.08 0.81 1.02 -0.02 -5.13 119.74 115.23 2dml s LYS 102 Ca 0.01 -1.15 -0.15 0.00 0.02 0.00 0.00 55.97 54.70 2dml s LYS 102 Cb 0.11 -1.72 0.23 0.00 -0.52 0.00 0.00 37.83 35.92 2dml s LYS 102 CO 0.81 -1.07 1.10 -1.25 -0.92 0.00 0.00 175.35 174.02 2dml s PRO 103 N 1.41 -0.19 0.20 -1.68 0.04 -1.22 -4.39 135.00 129.17 2dml s PRO 103 Ca 0.13 0.30 0.08 0.00 0.04 0.00 0.00 61.00 61.54 2dml s PRO 103 Cb -0.19 -1.68 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2dml s PRO 103 CO -0.19 -3.10 0.03 -1.21 0.04 0.00 0.00 177.00 172.57 2dml s GLU 104 N -5.11 2.47 -0.06 4.56 0.41 -0.09 -4.91 118.70 115.97 2dml s GLU 104 Ca 0.67 -1.16 -0.30 0.00 -0.41 0.00 0.00 54.97 53.78 2dml s GLU 104 Cb -0.16 -2.35 -0.03 0.00 -1.78 0.00 0.00 34.13 29.81 2dml s GLU 104 CO 0.57 0.43 1.15 0.34 -0.49 0.00 0.00 175.26 177.26 2dml s ASP 105 N -3.22 7.11 -0.43 -0.19 -1.08 -1.26 -1.32 116.67 116.28 2dml s ASP 105 Ca 0.29 1.75 -0.28 0.00 -0.52 0.00 0.00 52.55 53.79 2dml s ASP 105 Cb -0.08 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.84 2dml s ASP 105 CO 0.20 -0.54 1.07 -0.47 0.52 0.00 0.00 175.17 175.95 2dml s TYR 106 N 2.08 2.93 -0.22 -5.34 5.04 -1.21 -4.87 117.35 115.77 2dml s TYR 106 Ca 0.54 0.78 0.08 0.00 -2.44 0.00 0.00 57.07 56.03 2dml s TYR 106 Cb -0.23 -4.13 -0.21 0.00 0.35 0.00 0.00 41.96 37.74 2dml s TYR 106 CO 0.21 -1.09 -0.04 1.04 -1.34 0.00 0.00 175.55 174.34 2dml n GLN 107 N 7.43 0.67 -0.61 4.97 1.13 -1.26 -4.85 117.38 124.86 2dml n GLN 107 Ca 0.11 0.11 -0.19 0.00 -1.94 0.00 0.00 57.00 55.09 2dml n GLN 107 Cb 0.48 -1.55 0.12 0.00 0.11 0.00 0.00 30.24 29.41 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 2.03 -2.35 3.72 1.08 0.00 -1.26 -4.84 105.19 103.57 2dml n GLY 108 Ca -0.39 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 2dml n GLY 108 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dml s GLY 109 N -1.77 2.25 -0.24 -0.02 0.00 -1.26 -4.91 107.32 101.37 2dml s GLY 109 Ca 0.34 0.98 0.01 0.00 0.00 0.00 0.00 44.72 46.04 2dml s GLY 109 CO 0.36 2.15 1.66 -0.96 0.00 0.00 0.00 173.10 176.31 2dml n ARG 110 N 3.77 1.63 -3.98 2.90 1.85 -1.26 -1.95 116.66 119.62 2dml n ARG 110 Ca 0.09 -1.38 -0.35 0.00 -1.00 0.00 0.00 57.85 55.21 2dml n ARG 110 Cb 0.44 -1.54 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2dml s THR 111 N -1.74 5.22 0.62 8.89 -4.23 -1.26 -4.54 115.64 118.60 2dml s THR 111 Ca 0.27 -0.01 0.18 0.00 -1.18 0.00 0.00 61.69 60.95 2dml s THR 111 Cb 0.22 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 71.01 2dml s THR 111 CO 0.03 0.52 1.19 0.61 -0.54 0.00 0.00 174.62 176.44 2dml n GLY 112 N 1.69 -0.67 0.08 3.99 0.00 -0.16 0.26 105.19 110.38 2dml n GLY 112 Ca -0.17 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 2dml n GLY 112 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dml n GLU 113 N -2.99 0.48 -0.12 1.61 0.28 -1.26 -3.60 120.64 115.03 2dml n GLU 113 Ca 0.16 0.52 -0.07 0.00 -0.16 0.00 0.00 57.16 57.61 2dml n GLU 113 Cb 1.36 -1.69 0.02 0.00 1.43 0.00 0.00 31.44 32.55 2dml n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dml h ALA 114 N -0.90 0.49 -0.87 -1.84 0.00 -1.07 -2.35 119.26 112.72 2dml h ALA 114 Ca -0.08 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.04 2dml h ALA 114 Cb 0.70 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 2dml h ALA 114 CO -0.05 -0.15 0.38 0.82 0.00 0.00 0.00 179.25 180.25 2dml h ILE 115 N 0.42 0.53 -0.74 0.00 2.04 0.48 0.15 117.51 120.38 2dml h ILE 115 Ca 0.16 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.91 2dml h ILE 115 Cb 0.06 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 2dml h ILE 115 CO -0.11 0.08 0.47 0.58 0.00 0.00 0.00 178.15 179.17 2dml h VAL 116 N 0.43 1.09 -0.09 1.67 2.07 -1.55 0.73 116.25 120.61 2dml h VAL 116 Ca 0.53 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.71 2dml h VAL 116 Cb 0.95 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2dml h VAL 116 CO -0.49 0.16 -0.04 -0.78 0.02 0.00 0.00 177.57 176.44 2dml h ASP 117 N 0.90 0.20 -0.39 0.57 1.82 -0.72 -2.85 116.42 115.96 2dml h ASP 117 Ca 0.30 -0.41 0.03 0.00 -0.39 0.00 0.00 57.03 56.56 2dml h ASP 117 Cb 0.03 -0.05 -0.03 0.00 0.68 0.00 0.00 39.33 39.96 2dml h ASP 117 CO -0.12 0.56 0.19 0.00 -1.61 0.00 0.00 179.24 178.27 2dml h ALA 118 N 0.64 0.48 -0.94 -0.78 0.00 -0.75 0.51 119.26 118.42 2dml h ALA 118 Ca 0.02 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2dml h ALA 118 Cb 0.48 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2dml h ALA 118 CO 0.01 -0.17 0.60 0.00 0.00 0.00 0.00 179.25 179.70 2dml h ALA 119 N 1.20 1.62 0.05 0.00 0.00 -0.86 -0.98 119.26 120.30 2dml h ALA 119 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dml h ALA 119 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2dml h ALA 119 CO -0.12 0.16 -0.03 -0.07 0.00 0.00 0.00 179.25 179.20 2dml h LEU 120 N 0.91 -0.06 -1.16 0.00 3.38 -1.13 -0.75 115.31 116.49 2dml h LEU 120 Ca 0.46 -0.57 0.22 0.00 0.09 0.00 0.00 57.88 58.07 2dml h LEU 120 Cb 0.49 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 2dml h LEU 120 CO -0.22 0.58 0.62 -1.28 0.09 0.00 0.00 178.44 178.24 2dml h SER 121 N -0.76 0.64 0.04 -0.43 0.87 -0.56 -1.53 113.55 111.83 2dml h SER 121 Ca -0.01 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.54 2dml h SER 121 Cb 0.63 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2dml h SER 121 CO 0.01 0.20 -0.42 0.00 -0.53 0.00 0.00 176.83 176.09 2dml h ALA 122 N 1.65 -0.01 -0.75 6.23 0.00 -1.22 -3.30 119.26 121.86 2dml h ALA 122 Ca 0.58 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.99 2dml h ALA 122 Cb 1.12 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 2dml h ALA 122 CO -0.35 0.19 -0.48 1.25 0.00 0.00 0.00 179.25 179.87 2dml h LEU 123 N -0.52 -1.74 -0.70 0.00 7.12 -0.10 0.23 115.31 119.60 2dml h LEU 123 Ca -0.07 0.26 0.15 0.00 0.13 0.00 0.00 57.88 58.36 2dml h LEU 123 Cb 1.25 0.76 -0.11 0.00 -0.53 0.00 0.00 40.66 42.03 2dml h LEU 123 CO 0.08 -0.21 0.07 0.08 -0.13 0.00 0.00 178.44 178.33 2dml h ARG 124 N -0.05 0.16 -0.06 1.25 0.11 -1.62 -2.46 114.38 111.72 2dml h ARG 124 Ca 0.12 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.20 2dml h ARG 124 Cb 0.36 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.37 2dml h ARG 124 CO -0.73 0.11 -0.25 1.03 0.10 0.00 0.00 179.97 180.23 2dml h SER 125 N 0.17 -0.79 0.00 0.08 0.87 -0.64 -3.46 113.55 109.78 2dml h SER 125 Ca 0.38 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2dml h SER 125 Cb 0.65 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 2dml h SER 125 CO -0.56 -0.22 0.00 0.61 -0.53 0.00 0.00 176.83 176.13 2dml n GLY 126 N -1.20 2.42 3.61 5.77 0.00 -0.80 -4.85 105.19 110.14 2dml n GLY 126 Ca -0.03 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 2dml n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dml s PRO 127 N 0.00 -0.97 -0.20 1.61 0.04 -1.26 -3.22 135.00 131.00 2dml s PRO 127 Ca 0.00 0.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.77 2dml s PRO 127 Cb 0.00 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2dml s PRO 127 CO 0.00 -3.56 1.03 -1.54 0.04 0.00 0.00 177.00 172.97 2dml s SER 128 N -3.82 7.14 0.65 6.66 1.04 -1.26 -4.89 113.70 119.22 2dml s SER 128 Ca 0.70 1.42 -0.18 0.00 0.48 0.00 0.00 55.95 58.37 2dml s SER 128 Cb -0.11 -2.54 -0.01 0.00 0.10 0.00 0.00 66.02 63.46 2dml s SER 128 CO 0.56 -0.61 1.27 -0.55 0.98 0.00 0.00 173.24 174.89 2dml s SER 129 N 1.17 4.60 0.00 7.02 0.15 -1.26 -5.19 113.70 120.20 2dml s SER 129 Ca 0.45 2.56 0.05 0.00 0.70 0.00 0.00 55.95 59.71 2dml s SER 129 Cb -0.16 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.58 2dml s SER 129 CO 0.09 -2.00 0.65 0.61 1.20 0.00 0.00 173.24 173.79