#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 4.71 -0.72 1.61 0.15 -1.26 -4.91 113.70 113.28 2dml s SER 2 Ca 0.00 2.41 -0.27 0.00 0.70 0.00 0.00 55.95 58.79 2dml s SER 2 Cb 0.00 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.73 2dml s SER 2 CO 0.00 -1.92 1.39 -0.44 1.20 0.00 0.00 173.24 173.47 2dml s SER 3 N -1.75 5.99 0.10 5.45 0.01 -1.26 -4.62 113.70 117.64 2dml s SER 3 Ca 0.77 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2dml s SER 3 Cb -0.31 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.36 2dml s SER 3 CO 0.39 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.71 2dml n GLY 4 N 5.46 -5.49 0.13 3.44 0.00 -1.26 -5.02 105.19 102.44 2dml n GLY 4 Ca 0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 2dml n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dml n SER 5 N 1.76 1.91 -3.69 1.61 2.88 -1.26 -5.04 113.62 111.78 2dml n SER 5 Ca 0.00 0.32 -0.11 0.00 -1.33 0.00 0.00 58.87 57.76 2dml n SER 5 Cb 0.00 -0.73 -0.10 0.00 -0.75 0.00 0.00 64.21 62.63 2dml n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dml s SER 6 N -6.09 -0.58 0.00 -3.46 0.01 -1.26 -4.98 113.70 97.34 2dml s SER 6 Ca -0.29 1.00 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2dml s SER 6 Cb 0.05 0.90 0.00 0.00 0.21 0.00 0.00 66.02 67.18 2dml s SER 6 CO 0.42 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.49 2dml n GLY 7 N 3.97 2.78 3.44 3.44 0.00 -1.26 -5.14 105.19 112.42 2dml n GLY 7 Ca -0.21 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.00 -3.43 4.61 0.00 -1.26 -5.05 120.51 112.38 2dml n ALA 8 Ca 0.00 -1.12 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 2dml n ALA 8 Cb 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 19.45 17.47 2dml n ALA 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dml s VAL 9 N -2.39 0.00 0.00 0.00 -7.23 -1.26 -5.09 120.40 104.44 2dml s VAL 9 Ca 0.65 -0.01 -0.01 0.00 -1.81 0.00 0.00 61.98 60.80 2dml s VAL 9 Cb -0.22 -0.74 -0.00 0.00 0.56 0.00 0.00 36.38 35.98 2dml s VAL 9 CO 0.65 -0.00 1.02 -1.28 -0.31 0.00 0.00 175.10 175.17 2dml h SER 10 N 5.24 -0.05 0.00 4.85 0.87 -1.97 -3.49 113.55 119.00 2dml h SER 10 Ca -0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2dml h SER 10 Cb 1.17 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dml h SER 10 CO 0.18 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.07 2dml n GLY 11 N -1.02 0.40 0.12 5.77 0.00 -1.26 -4.78 105.19 104.43 2dml n GLY 11 Ca -0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 2dml n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dml h LEU 12 N 0.00 0.40-10.24 0.99 3.38 -1.97 -3.47 115.31 104.40 2dml h LEU 12 Ca 0.00 -0.65 -0.47 0.00 0.09 0.00 0.00 57.88 56.84 2dml h LEU 12 Cb 0.00 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dml h LEU 12 CO 0.00 1.56 -0.19 -0.31 0.09 0.00 0.00 178.44 179.59 2dml s TYR 13 N -2.59 3.49 -0.03 1.13 1.51 -1.26 -5.08 117.35 114.52 2dml s TYR 13 Ca -0.13 0.33 -0.02 0.00 -1.01 0.00 0.00 57.07 56.24 2dml s TYR 13 Cb 0.07 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2dml s TYR 13 CO 0.83 0.11 0.08 -1.12 -1.11 0.00 0.00 175.55 174.34 2dml s SER 14 N -4.04 -0.07 0.49 2.29 0.01 -1.26 -4.85 113.70 106.27 2dml s SER 14 Ca 0.40 0.15 0.43 0.00 1.31 0.00 0.00 55.95 58.25 2dml s SER 14 Cb -0.10 0.14 1.56 0.00 0.21 0.00 0.00 66.02 67.84 2dml s SER 14 CO 0.36 -0.04 1.44 -1.20 0.41 0.00 0.00 173.24 174.22 2dml n SER 15 N 3.14 0.04 -0.29 2.44 7.64 -1.26 0.07 113.62 125.40 2dml n SER 15 Ca -0.14 1.00 0.07 0.00 1.01 0.00 0.00 58.87 60.81 2dml n SER 15 Cb 0.59 -0.50 0.18 0.00 -1.01 0.00 0.00 64.21 63.47 2dml n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dml h SER 16 N 0.00 -0.49 -2.38 6.43 4.64 -1.95 -3.41 113.55 116.40 2dml h SER 16 Ca 0.86 0.23 -0.19 0.00 -0.47 0.00 0.00 61.79 62.23 2dml h SER 16 Cb 3.32 0.42 0.09 0.00 -0.31 0.00 0.00 62.40 65.93 2dml h SER 16 CO -0.10 -0.24 0.06 -0.67 -0.87 0.00 0.00 176.83 175.00 2dml n ASP 17 N -5.43 -1.51 -0.62 4.97 2.03 0.11 -4.93 116.55 111.18 2dml n ASP 17 Ca 0.16 -0.81 0.09 0.00 0.52 0.00 0.00 54.79 54.75 2dml n ASP 17 Cb 0.53 -0.47 0.31 0.00 -0.72 0.00 0.00 41.12 40.77 2dml n ASP 17 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dml n ASP 18 N -3.87 1.84 -4.74 1.67 9.92 -1.26 -4.88 116.55 115.23 2dml n ASP 18 Ca 0.07 -1.80 -0.40 0.00 -0.53 0.00 0.00 54.79 52.13 2dml n ASP 18 Cb 0.28 -0.15 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.70 4.82 -0.22 2.53 1.01 -1.26 -4.62 120.40 120.96 2dml s VAL 19 Ca 0.31 1.59 -0.20 0.00 0.00 0.00 0.00 61.98 63.67 2dml s VAL 19 Cb 0.16 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2dml s VAL 19 CO 0.24 0.33 0.61 -0.63 0.00 0.00 0.00 175.10 175.65 2dml s ILE 20 N 0.19 5.02 -0.67 2.22 1.01 -0.93 -4.62 121.20 123.42 2dml s ILE 20 Ca 0.39 1.11 -0.26 0.00 0.00 0.00 0.00 60.65 61.89 2dml s ILE 20 Cb -0.20 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2dml s ILE 20 CO 0.22 0.09 1.86 -0.70 0.00 0.00 0.00 174.94 176.41 2dml s GLU 21 N 2.08 2.63 0.09 2.79 2.56 -1.26 -1.79 118.70 125.79 2dml s GLU 21 Ca 0.27 0.41 -0.25 0.00 0.00 0.00 0.00 54.97 55.41 2dml s GLU 21 Cb -0.16 -4.51 -0.06 0.00 2.00 0.00 0.00 34.13 31.40 2dml s GLU 21 CO 0.10 -2.84 0.75 -0.51 -0.56 0.00 0.00 175.26 172.20 2dml s LEU 22 N 9.17 4.50 0.13 2.70 1.43 -1.15 -4.94 118.68 130.53 2dml s LEU 22 Ca 0.67 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 2dml s LEU 22 Cb -0.11 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.84 2dml s LEU 22 CO 0.16 0.10 -0.04 0.42 0.23 0.00 0.00 176.35 177.23 2dml s THR 23 N -0.49 0.67 -1.16 5.49 -4.23 -1.26 -4.48 115.64 110.18 2dml s THR 23 Ca 0.37 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2dml s THR 23 Cb -0.21 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2dml s THR 23 CO 0.24 -0.71 0.28 -0.81 -0.54 0.00 0.00 174.62 173.08 2dml n PRO 24 N -0.12 0.49 0.00 3.99 -0.04 -1.26 0.48 135.00 138.54 2dml n PRO 24 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2dml n PRO 24 Cb 0.62 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.14 4.59 0.00 3.54 7.64 -1.26 -4.78 113.62 123.48 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 -1.52 1.68 -0.60 6.43 6.94 -0.84 -4.75 115.26 122.59 2dml n ASN 26 Ca 0.00 -0.17 0.46 0.00 -0.02 0.00 0.00 54.58 54.85 2dml n ASN 26 Cb 0.14 0.67 0.72 0.00 -2.36 0.00 0.00 39.78 38.94 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 -0.84 0.17 0.08 -2.53 -0.00 0.18 0.21 117.46 114.73 2dml n PHE 27 Ca 0.00 0.17 -0.23 0.00 -0.00 0.00 0.00 57.45 57.39 2dml n PHE 27 Cb 0.00 -0.62 -0.15 0.00 -0.00 0.00 0.00 39.48 38.71 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 0.64 0.62 -2.13 -1.24 -1.85 -1.14 115.58 110.47 2dml h ASN 28 Ca 0.85 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.93 2dml h ASN 28 Cb 3.24 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 42.08 2dml h ASN 28 CO -0.12 1.76 0.00 0.54 -1.29 0.00 0.00 177.43 178.32 2dml n ARG 29 N -3.66 0.38 -0.09 6.67 1.74 0.57 0.24 116.66 122.51 2dml n ARG 29 Ca -0.23 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.67 2dml n ARG 29 Cb 1.06 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.93 2dml n ARG 29 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2dml n GLU 30 N -1.31 0.39 -0.04 5.56 -0.58 0.32 -4.57 120.64 120.41 2dml n GLU 30 Ca 0.13 0.15 -0.04 0.00 -0.42 0.00 0.00 57.16 56.99 2dml n GLU 30 Cb 0.25 -1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 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 -3.65 0.73 -0.31 2.62 0.31 -0.45 -4.16 118.33 113.42 2dml n VAL 31 Ca -0.34 0.32 0.26 0.00 -0.01 0.00 0.00 64.34 64.57 2dml n VAL 31 Cb 0.76 -1.89 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 0.50 -0.77 2.52 1.08 -1.25 0.74 117.51 119.86 2dml h ILE 32 Ca 0.00 -0.09 -0.39 0.00 -0.39 0.00 0.00 64.86 63.99 2dml h ILE 32 Cb 0.47 0.22 -0.23 0.00 -3.07 0.00 0.00 36.82 34.22 2dml h ILE 32 CO 0.00 0.05 0.49 0.00 -0.69 0.00 0.00 178.15 178.00 2dml n GLN 33 N -4.47 2.08 -3.81 2.37 1.13 0.66 -4.77 117.38 110.58 2dml n GLN 33 Ca 0.25 -2.37 -0.30 0.00 -1.94 0.00 0.00 57.00 52.63 2dml n GLN 33 Cb 0.98 -1.94 -0.15 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.80 4.10 0.56 1.08 0.15 0.26 -4.82 113.70 114.22 2dml s SER 34 Ca 0.45 -1.65 0.26 0.00 0.70 0.00 0.00 55.95 55.70 2dml s SER 34 Cb 0.38 -1.03 1.48 0.00 -1.71 0.00 0.00 66.02 65.13 2dml s SER 34 CO 0.09 -0.39 2.02 -0.78 1.20 0.00 0.00 173.24 175.39 2dml h ASP 35 N 7.99 0.00 -1.43 5.45 3.58 -1.86 -3.42 116.42 126.73 2dml h ASP 35 Ca -0.12 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2dml h ASP 35 Cb 1.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.08 2dml h ASP 35 CO 0.47 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.44 2dml n GLY 36 N -1.54 -2.07 3.83 -0.78 0.00 -1.26 -4.89 105.19 98.48 2dml n GLY 36 Ca 0.06 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 4.38 -0.05 0.99 2.96 -1.26 -4.73 118.68 120.97 2dml s LEU 37 Ca 0.00 1.21 0.01 0.00 -0.22 0.00 0.00 54.13 55.13 2dml s LEU 37 Cb 0.00 -3.27 0.02 0.00 0.50 0.00 0.00 46.19 43.44 2dml s LEU 37 CO 0.00 0.12 -0.06 0.26 -1.32 0.00 0.00 176.35 175.35 2dml s TRP 38 N -1.40 0.90 -0.43 5.38 0.52 -0.78 -2.05 118.94 121.08 2dml s TRP 38 Ca 0.37 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 56.15 2dml s TRP 38 Cb -0.16 -0.77 0.11 0.00 -1.15 0.00 0.00 33.47 31.50 2dml s TRP 38 CO 0.20 -0.23 0.26 -0.51 0.02 0.00 0.00 176.95 176.69 2dml s LEU 39 N 0.96 5.39 -0.21 2.99 1.43 0.26 -0.15 118.68 129.35 2dml s LEU 39 Ca -0.10 -1.95 -0.08 0.00 -1.03 0.00 0.00 54.13 50.97 2dml s LEU 39 Cb -0.14 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 2dml s LEU 39 CO 0.00 -0.60 0.10 -0.69 0.23 0.00 0.00 176.35 175.39 2dml s VAL 40 N 1.24 4.93 -0.07 -1.59 1.01 -0.66 -1.51 120.40 123.75 2dml s VAL 40 Ca 0.07 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2dml s VAL 40 Cb -0.24 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2dml s VAL 40 CO -0.03 0.41 -0.19 -0.70 0.00 0.00 0.00 175.10 174.59 2dml s GLU 41 N 0.75 2.76 -0.51 2.72 -6.30 -1.26 -0.19 118.70 116.67 2dml s GLU 41 Ca 0.05 -0.80 -0.14 0.00 -2.50 0.00 0.00 54.97 51.59 2dml s GLU 41 Cb -0.13 -2.34 0.12 0.00 0.00 0.00 0.00 34.13 31.78 2dml s GLU 41 CO 0.02 0.40 0.44 -0.06 0.02 0.00 0.00 175.26 176.08 2dml s PHE 42 N -0.18 3.30 0.53 5.30 0.40 0.81 -1.58 117.98 126.56 2dml s PHE 42 Ca -0.02 -1.40 0.07 0.00 -0.60 0.00 0.00 56.93 54.98 2dml s PHE 42 Cb -0.14 -3.60 0.04 0.00 0.51 0.00 0.00 43.02 39.83 2dml s PHE 42 CO 0.03 -0.98 0.50 1.52 0.70 0.00 0.00 175.22 177.00 2dml s TYR 43 N 1.54 1.78 -0.08 0.36 -0.85 -1.14 -1.96 117.35 117.00 2dml s TYR 43 Ca 0.04 -0.75 -0.01 0.00 -0.52 0.00 0.00 57.07 55.83 2dml s TYR 43 Cb -0.28 -2.04 0.03 0.00 0.38 0.00 0.00 41.96 40.05 2dml s TYR 43 CO 0.03 -0.58 -0.02 0.00 -1.52 0.00 0.00 175.55 173.45 2dml s ALA 44 N -2.69 0.85 -2.00 9.51 0.00 -1.26 -1.08 121.76 125.09 2dml s ALA 44 Ca 0.44 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.25 2dml s ALA 44 Cb -0.03 -0.76 0.40 0.00 0.00 0.00 0.00 23.12 22.73 2dml s ALA 44 CO 0.27 -0.42 0.86 -0.35 0.00 0.00 0.00 175.76 176.12 2dml n PRO 45 N 5.02 0.49 -0.00 0.00 -0.04 -1.26 -1.84 135.00 137.37 2dml n PRO 45 Ca -0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 2dml n PRO 45 Cb 0.50 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.72 0.00 -2.55 0.54 4.27 -1.26 -5.03 117.44 112.69 2dml n TRP 46 Ca 0.05 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.42 2dml n TRP 46 Cb 0.02 -0.01 0.13 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 -2.95 -0.37 0.30 0.00 0.00 -1.26 -3.93 105.19 96.98 2dml n GLY 48 Ca 0.17 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.28 0.00 0.11 1.61 -0.00 -1.95 0.40 115.15 115.04 2dml h HIS 49 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.09 2dml h HIS 49 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.68 2dml h HIS 49 CO -0.12 0.00 -1.43 0.00 -0.00 0.00 0.00 177.93 176.38 2dml h GLN 51 N -0.32 0.00 -0.00 0.00 4.20 -0.37 -1.38 115.11 117.24 2dml h GLN 51 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2dml h GLN 51 Cb 1.75 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.53 2dml h GLN 51 CO 0.05 0.01 -0.50 2.89 -0.67 0.00 0.00 178.83 180.60 2dml n ARG 52 N -3.11 0.04 -0.20 1.46 -4.01 -0.59 -3.68 116.66 106.58 2dml n ARG 52 Ca -0.01 -0.02 0.10 0.00 -1.04 0.00 0.00 57.85 56.88 2dml n ARG 52 Cb 0.22 -1.50 0.27 0.00 -3.04 0.00 0.00 32.46 28.41 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 -1.46 2.78 0.04 2.89 7.94 -0.52 -4.34 117.00 124.33 2dml n LEU 53 Ca 0.06 -1.28 -0.13 0.00 -1.11 0.00 0.00 56.01 53.55 2dml n LEU 53 Cb 0.34 -0.26 -0.08 0.00 0.53 0.00 0.00 43.42 43.94 2dml n LEU 53 CO 0.35 0.64 0.78 0.74 -1.11 0.00 0.00 177.39 178.79 2dml h THR 54 N 3.36 1.09 0.07 1.96 2.02 -1.63 -1.87 112.91 117.91 2dml h THR 54 Ca 0.00 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2dml h THR 54 Cb 0.75 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 2dml h THR 54 CO 0.00 0.09 -0.03 1.55 0.37 0.00 0.00 175.52 177.50 2dml h PRO 55 N -0.20 -0.09 -0.80 6.66 0.13 -1.86 -1.39 132.00 134.45 2dml h PRO 55 Ca -0.00 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.28 2dml h PRO 55 Cb 0.18 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.24 2dml h PRO 55 CO 0.01 0.36 0.37 0.93 -0.23 0.00 0.00 178.00 179.44 2dml h GLU 56 N -0.58 0.51 -0.08 0.86 3.07 -1.78 0.32 114.58 116.89 2dml h GLU 56 Ca -0.01 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.78 2dml h GLU 56 Cb 0.50 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 2dml h GLU 56 CO 0.02 0.34 -0.10 2.35 -1.40 0.00 0.00 179.01 180.21 2dml h TRP 57 N 0.52 0.26 -0.37 4.33 -0.00 -1.36 -1.80 115.95 117.54 2dml h TRP 57 Ca 0.44 -0.08 0.07 0.00 -0.00 0.00 0.00 58.89 59.32 2dml h TRP 57 Cb 0.65 -0.05 -0.07 0.00 -0.00 0.00 0.00 29.16 29.69 2dml h TRP 57 CO -0.13 0.68 -0.08 0.87 -0.00 0.00 0.00 178.44 179.78 2dml h LYS 58 N -0.22 0.01 -0.39 2.65 1.57 -0.44 -2.06 116.57 117.69 2dml h LYS 58 Ca 0.01 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2dml h LYS 58 Cb 0.64 -0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 2dml h LYS 58 CO 0.02 0.01 -0.44 0.87 -0.57 0.00 0.00 179.45 179.34 2dml h LYS 59 N 0.01 -0.34 -0.79 3.15 1.57 -1.01 0.22 116.57 119.39 2dml h LYS 59 Ca 0.18 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.12 2dml h LYS 59 Cb 0.27 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 2dml h LYS 59 CO -0.37 -0.22 0.52 0.00 -0.57 0.00 0.00 179.45 178.81 2dml h ALA 60 N 0.34 2.03 -0.28 3.86 0.00 -1.44 0.48 119.26 124.25 2dml h ALA 60 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2dml h ALA 60 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2dml h ALA 60 CO -0.56 -0.24 -0.19 0.00 0.00 0.00 0.00 179.25 178.26 2dml h ALA 61 N 1.63 1.15 -0.23 0.00 0.00 0.06 0.24 119.26 122.11 2dml h ALA 61 Ca 0.39 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2dml h ALA 61 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2dml h ALA 61 CO -0.14 0.53 -0.05 1.15 0.00 0.00 0.00 179.25 180.74 2dml h THR 62 N 0.46 1.28 -0.08 0.00 2.02 0.56 0.19 112.91 117.34 2dml h THR 62 Ca 0.08 -1.05 -0.20 0.00 0.77 0.00 0.00 66.41 66.01 2dml h THR 62 Cb 0.59 1.50 0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2dml h THR 62 CO 0.04 0.32 -0.73 0.00 0.37 0.00 0.00 175.52 175.53 2dml h ALA 63 N 0.75 0.20 -0.27 6.16 0.00 -1.35 -3.11 119.26 121.64 2dml h ALA 63 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dml h ALA 63 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2dml h ALA 63 CO 0.02 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.09 2dml n LEU 64 N -4.05 2.14 -0.11 0.00 4.77 0.82 -4.36 117.00 116.20 2dml n LEU 64 Ca -0.09 -1.08 -0.06 0.00 -0.03 0.00 0.00 56.01 54.75 2dml n LEU 64 Cb 0.72 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2dml n LEU 64 CO 0.51 0.40 0.70 0.50 -1.33 0.00 0.00 177.39 178.17 2dml h LYS 65 N 1.70 -0.16 0.00 3.23 3.64 -0.55 0.54 116.57 124.97 2dml h LYS 65 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2dml h LYS 65 Cb 0.68 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2dml h LYS 65 CO 0.08 -0.11 -1.46 -0.25 -2.27 0.00 0.00 179.45 175.44 2dml n ASP 66 N -5.39 0.42 -0.03 4.20 8.00 -1.26 -4.56 116.55 117.94 2dml n ASP 66 Ca 0.02 -0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.36 2dml n ASP 66 Cb 0.30 1.32 -0.00 0.00 -0.02 0.00 0.00 41.12 42.73 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 -3.22 2.53 2.07 -1.65 -3.47 116.25 112.52 2dml h VAL 67 Ca 0.00 -0.53 -0.52 0.00 0.82 0.00 0.00 66.70 66.47 2dml h VAL 67 Cb 0.86 0.00 -0.36 0.00 -1.52 0.00 0.00 31.29 30.26 2dml h VAL 67 CO 0.00 0.00 -0.80 -0.69 0.02 0.00 0.00 177.57 176.10 2dml s VAL 68 N -1.33 1.00 -0.44 2.57 1.01 0.19 -4.72 120.40 118.67 2dml s VAL 68 Ca -0.01 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.41 2dml s VAL 68 Cb 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 2dml s VAL 68 CO 0.01 0.36 2.29 -0.54 0.00 0.00 0.00 175.10 177.22 2dml s LYS 69 N 1.56 2.40 -0.49 2.72 -0.14 -0.87 -4.24 119.74 120.67 2dml s LYS 69 Ca 0.02 1.44 -0.16 0.00 -1.36 0.00 0.00 55.97 55.91 2dml s LYS 69 Cb -0.13 -4.51 0.08 0.00 -1.68 0.00 0.00 37.83 31.59 2dml s LYS 69 CO -0.06 -2.95 0.46 0.08 -0.76 0.00 0.00 175.35 172.12 2dml s VAL 70 N 10.94 5.15 0.00 3.17 1.01 -1.26 -0.58 120.40 138.83 2dml s VAL 70 Ca 0.94 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2dml s VAL 70 Cb -0.20 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 31.99 2dml s VAL 70 CO 0.27 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.31 2dml n GLY 71 N 5.21 1.47 3.28 4.51 0.00 -0.57 -2.19 105.19 116.90 2dml n GLY 71 Ca -0.11 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.81 -2.96 -0.19 4.61 0.00 -0.74 -4.35 121.76 115.32 2dml s ALA 72 Ca 0.00 1.80 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 2dml s ALA 72 Cb 0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 2dml s ALA 72 CO 0.00 -1.17 -0.08 0.08 0.00 0.00 0.00 175.76 174.59 2dml s VAL 73 N 2.64 3.19 -0.97 0.00 1.01 -0.61 -2.91 120.40 122.75 2dml s VAL 73 Ca 0.00 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 2dml s VAL 73 Cb -0.08 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 2dml s VAL 73 CO -0.15 0.47 1.91 0.21 0.00 0.00 0.00 175.10 177.53 2dml s ASN 74 N 1.09 5.23 0.36 3.32 2.47 -1.26 -2.86 114.94 123.29 2dml s ASN 74 Ca 0.01 -0.95 0.19 0.00 0.42 0.00 0.00 52.86 52.52 2dml s ASN 74 Cb -0.15 -2.57 1.27 0.00 -1.45 0.00 0.00 41.25 38.35 2dml s ASN 74 CO -0.02 -2.71 1.61 0.00 -3.72 0.00 0.00 177.10 172.26 2dml h ALA 75 N 10.81 2.11 -0.58 1.71 0.00 -1.38 1.09 119.26 133.03 2dml h ALA 75 Ca 0.13 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2dml h ALA 75 Cb 0.99 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2dml h ALA 75 CO 1.23 -0.84 0.30 0.22 0.00 0.00 0.00 179.25 180.16 2dml h ASP 76 N 0.11 0.73 0.00 0.00 3.58 -1.87 -0.88 116.42 118.10 2dml h ASP 76 Ca 0.81 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 58.15 2dml h ASP 76 Cb 2.07 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 42.93 2dml h ASP 76 CO -0.71 0.63 -0.17 0.50 -2.88 0.00 0.00 179.24 176.62 2dml h LYS 77 N 0.78 0.00 -1.91 0.28 3.64 0.44 -3.35 116.57 116.46 2dml h LYS 77 Ca 0.20 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2dml h LYS 77 Cb 0.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2dml h LYS 77 CO -0.03 0.05 0.08 0.72 -2.27 0.00 0.00 179.45 178.01 2dml n HIS 78 N -4.72 0.30 -0.42 1.91 8.25 0.29 -4.58 115.22 116.25 2dml n HIS 78 Ca -0.03 -1.19 0.37 0.00 -0.26 0.00 0.00 57.72 56.61 2dml n HIS 78 Cb 0.10 -0.59 0.65 0.00 1.12 0.00 0.00 29.99 31.27 2dml n HIS 78 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2dml n GLN 79 N 1.27 -0.05 0.08 -0.41 1.13 -0.34 0.61 117.38 119.68 2dml n GLN 79 Ca 0.06 1.30 -0.12 0.00 -1.94 0.00 0.00 57.00 56.30 2dml n GLN 79 Cb 0.52 -2.48 -0.06 0.00 0.11 0.00 0.00 30.24 28.33 2dml n GLN 79 CO 0.00 0.00 0.00 0.77 -1.44 0.00 0.00 177.06 176.39 2dml h SER 80 N 0.00 -0.31 -0.09 1.08 0.02 -1.84 0.20 113.55 112.61 2dml h SER 80 Ca 0.87 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.89 2dml h SER 80 Cb 2.63 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 65.26 2dml h SER 80 CO -0.58 -0.17 -0.10 -0.07 -1.14 0.00 0.00 176.83 174.78 2dml h LEU 81 N -0.22 -0.30 0.97 5.07 3.38 -0.21 0.52 115.31 124.51 2dml h LEU 81 Ca 0.02 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2dml h LEU 81 Cb 0.24 0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.15 2dml h LEU 81 CO -0.07 -0.13 -0.47 1.23 0.09 0.00 0.00 178.44 179.09 2dml h GLY 82 N -0.12 -1.36 1.34 0.83 0.00 -1.26 -3.01 103.07 99.49 2dml h GLY 82 Ca 0.07 0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.95 2dml h GLY 82 CO -0.17 -0.49 0.33 -1.33 0.00 0.00 0.00 176.54 174.88 2dml h GLY 83 N -1.35 0.58 1.89 4.60 0.00 -0.57 0.04 103.07 108.26 2dml h GLY 83 Ca -0.13 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2dml h GLY 83 CO 0.22 0.16 0.04 -1.61 0.00 0.00 0.00 176.54 175.35 2dml h GLN 84 N 0.48 0.00 0.00 4.80 4.15 0.18 -2.42 115.11 122.31 2dml h GLN 84 Ca 0.21 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.42 2dml h GLN 84 Cb 0.22 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 2dml h GLN 84 CO -0.05 0.00 -1.80 0.66 -1.93 0.00 0.00 178.83 175.70 2dml n TYR 85 N -2.27 0.00 0.00 3.99 4.02 -0.10 -5.03 117.16 117.77 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 0.08 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.85 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 2.75 0.71 3.65 2.72 0.00 -0.58 -5.11 105.19 109.32 2dml n GLY 86 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 4.45 -0.01 1.61 1.01 -0.81 -4.84 120.40 121.09 2dml s VAL 87 Ca 0.00 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.69 2dml s VAL 87 Cb 0.00 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 2dml s VAL 87 CO 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 175.10 174.74 2dml n GLN 88 N 6.78 2.49 -4.00 2.72 6.02 -1.26 -4.39 117.38 125.73 2dml n GLN 88 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 56.89 2dml n GLN 88 Cb 0.46 -1.03 -0.17 0.00 1.02 0.00 0.00 30.24 30.53 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 -3.48 0.56 0.25 1.08 0.00 -1.26 -5.15 107.32 99.33 2dml s GLY 89 Ca -0.01 -0.21 0.05 0.00 0.00 0.00 0.00 44.72 44.56 2dml s GLY 89 CO 0.04 0.74 0.35 -1.36 0.00 0.00 0.00 173.10 172.87 2dml s PHE 90 N 1.44 3.36 0.49 1.90 0.08 -1.26 -4.09 117.98 119.89 2dml s PHE 90 Ca -0.02 -0.06 -0.22 0.00 0.12 0.00 0.00 56.93 56.75 2dml s PHE 90 Cb -0.13 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.65 2dml s PHE 90 CO -0.03 0.39 1.15 -1.25 -0.10 0.00 0.00 175.22 175.38 2dml s PRO 91 N -3.99 3.62 -0.27 0.24 0.04 -1.26 -4.87 135.00 128.51 2dml s PRO 91 Ca 0.35 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.11 2dml s PRO 91 Cb -0.09 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 32.27 2dml s PRO 91 CO 0.29 -0.65 0.04 0.99 0.04 0.00 0.00 177.00 177.71 2dml s THR 92 N -1.62 1.15 -0.04 1.26 2.01 -0.83 -4.97 115.64 112.60 2dml s THR 92 Ca 0.67 -1.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 2dml s THR 92 Cb -0.27 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 2dml s THR 92 CO 0.32 -0.44 0.47 -0.63 -0.69 0.00 0.00 174.62 173.65 2dml s ILE 93 N 1.52 5.04 -0.03 1.82 1.01 -1.26 -0.14 121.20 129.16 2dml s ILE 93 Ca 0.04 0.95 0.04 0.00 0.00 0.00 0.00 60.65 61.68 2dml s ILE 93 Cb -0.18 -3.79 -0.00 0.00 0.01 0.00 0.00 42.46 38.50 2dml s ILE 93 CO -0.15 0.47 -0.13 -0.54 0.00 0.00 0.00 174.94 174.58 2dml s LYS 94 N -0.38 1.34 -0.15 2.79 -0.14 0.74 -2.85 119.74 121.10 2dml s LYS 94 Ca 0.26 -0.47 -0.08 0.00 -1.36 0.00 0.00 55.97 54.32 2dml s LYS 94 Cb -0.17 -1.22 -0.04 0.00 -1.68 0.00 0.00 37.83 34.73 2dml s LYS 94 CO 0.13 0.20 0.12 0.42 -0.76 0.00 0.00 175.35 175.47 2dml s ILE 95 N 0.04 5.36 -0.14 2.17 1.01 -0.86 -1.65 121.20 127.13 2dml s ILE 95 Ca -0.02 0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2dml s ILE 95 Cb -0.09 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 2dml s ILE 95 CO 0.01 0.56 -0.16 -0.36 0.00 0.00 0.00 174.94 174.99 2dml s PHE 96 N -0.52 2.75 0.00 3.97 0.40 0.78 -0.87 117.98 124.50 2dml s PHE 96 Ca 0.12 -0.90 0.00 0.00 -0.60 0.00 0.00 56.93 55.55 2dml s PHE 96 Cb -0.12 -1.84 0.00 0.00 0.51 0.00 0.00 43.02 41.57 2dml s PHE 96 CO 0.02 -0.37 0.00 0.41 0.70 0.00 0.00 175.22 175.98 2dml n GLY 97 N 3.77 -1.32 0.13 4.36 0.00 -1.26 -1.87 105.19 109.01 2dml n GLY 97 Ca -0.19 0.61 -0.04 0.00 0.00 0.00 0.00 46.02 46.41 2dml n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dml h ALA 98 N 2.00 -0.31 -3.21 4.61 0.00 -1.93 -3.32 119.26 117.11 2dml h ALA 98 Ca 0.00 0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.24 2dml h ALA 98 Cb 0.00 0.96 -0.35 0.00 0.00 0.00 0.00 17.79 18.39 2dml h ALA 98 CO 0.00 -0.40 -0.53 1.21 0.00 0.00 0.00 179.25 179.53 2dml s ASN 99 N -3.54 5.16 0.64 0.00 2.47 -1.26 -4.93 114.94 113.49 2dml s ASN 99 Ca -0.04 -2.26 0.30 0.00 0.42 0.00 0.00 52.86 51.28 2dml s ASN 99 Cb 0.03 -1.81 1.66 0.00 -1.45 0.00 0.00 41.25 39.68 2dml s ASN 99 CO 0.18 -0.48 1.93 0.11 -3.72 0.00 0.00 177.10 175.12 2dml h LYS 100 N 7.72 0.00 0.00 0.43 1.79 -1.96 0.48 116.57 125.03 2dml h LYS 100 Ca -0.10 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.19 2dml h LYS 100 Cb 1.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2dml h LYS 100 CO 0.69 0.00 -1.11 -0.91 -1.08 0.00 0.00 179.45 177.04 2dml h ASN 101 N 0.00 0.00 -3.05 0.86 2.35 -1.94 -3.42 115.58 110.38 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 0.59 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.56 2dml h ASN 101 CO 0.00 0.73 -0.78 -0.54 -1.65 0.00 0.00 177.43 175.20 2dml s LYS 102 N -2.82 0.75 1.14 0.81 1.02 0.17 -5.10 119.74 115.71 2dml s LYS 102 Ca -0.00 -1.33 -0.17 0.00 0.02 0.00 0.00 55.97 54.49 2dml s LYS 102 Cb 0.09 -1.78 0.26 0.00 -0.52 0.00 0.00 37.83 35.88 2dml s LYS 102 CO 0.80 -1.10 1.10 -1.25 -0.92 0.00 0.00 175.35 173.98 2dml s PRO 103 N 1.18 -0.76 0.19 -1.68 0.04 -1.22 -4.33 135.00 128.43 2dml s PRO 103 Ca 0.14 0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.34 2dml s PRO 103 Cb -0.21 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 2dml s PRO 103 CO -0.12 -3.44 0.16 -1.21 0.04 0.00 0.00 177.00 172.43 2dml s GLU 104 N -5.27 2.94 -0.56 4.56 0.41 -0.05 -4.89 118.70 115.84 2dml s GLU 104 Ca 0.69 -0.91 -0.28 0.00 -0.41 0.00 0.00 54.97 54.06 2dml s GLU 104 Cb -0.12 -2.64 0.01 0.00 -1.78 0.00 0.00 34.13 29.60 2dml s GLU 104 CO 0.57 0.46 1.41 -0.51 -0.49 0.00 0.00 175.26 176.69 2dml s ASP 105 N -3.34 6.15 -0.13 -0.19 1.01 -1.26 -2.03 116.67 116.88 2dml s ASP 105 Ca 0.32 0.30 -0.37 0.00 0.71 0.00 0.00 52.55 53.51 2dml s ASP 105 Cb -0.09 -2.55 -0.14 0.00 1.01 0.00 0.00 42.92 41.15 2dml s ASP 105 CO 0.24 -1.69 1.74 0.00 0.21 0.00 0.00 175.17 175.67 2dml n TYR 106 N 9.51 2.13 -0.06 4.23 9.36 -1.13 -4.84 117.16 136.36 2dml n TYR 106 Ca 0.12 0.31 -0.06 0.00 3.32 0.00 0.00 57.90 61.59 2dml n TYR 106 Cb 0.49 -2.53 -0.09 0.00 -0.63 0.00 0.00 39.34 36.58 2dml n TYR 106 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2dml n GLN 107 N 5.40 1.91 -0.89 2.98 6.02 -1.26 -4.90 117.38 126.64 2dml n GLN 107 Ca 0.23 0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.86 2dml n GLN 107 Cb 0.21 -1.29 0.08 0.00 1.02 0.00 0.00 30.24 30.27 2dml n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dml n GLY 108 N 2.38 -2.86 3.59 1.08 0.00 -1.26 -4.91 105.19 103.21 2dml n GLY 108 Ca -0.19 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.29 1.57 -0.60 -0.02 0.00 -1.26 -4.94 107.32 100.79 2dml s GLY 109 Ca 0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.04 2dml s GLY 109 CO 0.66 0.52 1.93 0.54 0.00 0.00 0.00 173.10 176.75 2dml n ARG 110 N -4.51 2.70 -4.66 2.90 5.12 -1.26 -4.02 116.66 112.92 2dml n ARG 110 Ca 0.05 -3.33 -0.23 0.00 -1.93 0.00 0.00 57.85 52.41 2dml n ARG 110 Cb 0.55 -2.26 -0.15 0.00 -1.16 0.00 0.00 32.46 29.44 2dml n ARG 110 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2dml s THR 111 N -4.58 1.23 0.48 0.55 -4.23 -1.26 -4.85 115.64 102.99 2dml s THR 111 Ca 0.62 -0.75 0.41 0.00 -1.18 0.00 0.00 61.69 60.80 2dml s THR 111 Cb 0.49 -1.04 0.61 0.00 1.34 0.00 0.00 72.50 73.91 2dml s THR 111 CO 0.01 0.28 1.46 0.61 -0.54 0.00 0.00 174.62 176.44 2dml n GLY 112 N 2.52 -0.88 0.13 3.99 0.00 -0.68 0.15 105.19 110.42 2dml n GLY 112 Ca -0.15 0.67 -0.09 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.19 -0.57 1.61 5.08 -1.95 -2.89 114.58 115.66 2dml h GLU 113 Ca 0.86 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 59.31 2dml h GLU 113 Cb 3.22 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 32.45 2dml h GLU 113 CO -0.16 0.21 0.22 0.00 -1.00 0.00 0.00 179.01 178.27 2dml h ALA 114 N -0.49 0.73 -0.76 3.43 0.00 -0.59 -1.59 119.26 119.99 2dml h ALA 114 Ca -0.02 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2dml h ALA 114 Cb 0.48 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2dml h ALA 114 CO 0.03 -0.19 0.46 0.82 0.00 0.00 0.00 179.25 180.37 2dml h ILE 115 N 0.41 1.02 -0.91 0.00 2.04 -1.14 0.20 117.51 119.12 2dml h ILE 115 Ca 0.28 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2dml h ILE 115 Cb 0.32 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.45 2dml h ILE 115 CO -0.28 0.15 0.59 0.58 0.00 0.00 0.00 178.15 179.20 2dml h VAL 116 N 0.84 1.16 -0.26 1.67 2.07 -1.08 0.13 116.25 120.78 2dml h VAL 116 Ca 0.33 -0.40 -0.17 0.00 0.82 0.00 0.00 66.70 67.29 2dml h VAL 116 Cb 0.16 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2dml h VAL 116 CO -0.17 0.21 -0.48 -0.78 0.02 0.00 0.00 177.57 176.37 2dml h ASP 117 N 1.16 0.88 -0.17 0.57 3.58 -0.84 -2.75 116.42 118.84 2dml h ASP 117 Ca 0.36 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 57.26 2dml h ASP 117 Cb -0.01 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2dml h ASP 117 CO -0.12 1.25 0.05 0.00 -2.88 0.00 0.00 179.24 177.54 2dml h ALA 118 N 0.65 0.22 -0.62 -0.78 0.00 -0.54 -1.62 119.26 116.57 2dml h ALA 118 Ca 0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2dml h ALA 118 Cb 1.09 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2dml h ALA 118 CO 0.11 -0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.53 2dml h ALA 119 N 0.87 0.82 0.86 0.00 0.00 -0.80 -2.14 119.26 118.87 2dml h ALA 119 Ca 0.05 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2dml h ALA 119 Cb 0.23 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2dml h ALA 119 CO -0.00 -0.01 -0.41 -0.07 0.00 0.00 0.00 179.25 178.75 2dml h LEU 120 N 0.61 -0.98 -0.95 0.00 3.38 -1.37 0.13 115.31 116.13 2dml h LEU 120 Ca 0.28 0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.57 2dml h LEU 120 Cb 0.20 0.25 -0.16 0.00 0.09 0.00 0.00 40.66 41.04 2dml h LEU 120 CO -0.19 -0.63 0.30 -1.28 0.09 0.00 0.00 178.44 176.72 2dml h SER 121 N -1.29 0.03 -0.10 -0.43 0.87 -1.17 0.24 113.55 111.69 2dml h SER 121 Ca -0.12 0.23 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 2dml h SER 121 Cb 0.89 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dml h SER 121 CO 0.19 -0.26 -0.27 0.00 -0.53 0.00 0.00 176.83 175.97 2dml h ALA 122 N 1.88 0.16 -0.59 6.23 0.00 -1.26 -3.29 119.26 122.40 2dml h ALA 122 Ca 0.65 -0.41 0.10 0.00 0.00 0.00 0.00 54.91 55.26 2dml h ALA 122 Cb 1.45 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.10 2dml h ALA 122 CO -0.73 0.17 -0.33 1.25 0.00 0.00 0.00 179.25 179.60 2dml h LEU 123 N -0.10 -1.15 -0.50 0.00 7.12 0.22 0.12 115.31 121.02 2dml h LEU 123 Ca -0.01 0.23 0.09 0.00 0.13 0.00 0.00 57.88 58.32 2dml h LEU 123 Cb 0.88 0.57 -0.10 0.00 -0.53 0.00 0.00 40.66 41.48 2dml h LEU 123 CO 0.06 -0.30 -0.32 0.03 -0.13 0.00 0.00 178.44 177.78 2dml h ARG 124 N -0.16 -0.18 0.59 1.25 3.08 -1.41 -2.27 114.38 115.27 2dml h ARG 124 Ca 0.23 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 2dml h ARG 124 Cb 0.55 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2dml h ARG 124 CO -0.68 -0.12 -0.38 1.03 -1.07 0.00 0.00 179.97 178.75 2dml h SER 125 N -0.19 -0.98 -0.90 7.04 0.87 -1.22 -3.43 113.55 114.74 2dml h SER 125 Ca 0.21 0.06 -0.78 0.00 -1.23 0.00 0.00 61.79 60.05 2dml h SER 125 Cb 0.54 0.29 0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2dml h SER 125 CO -0.61 -0.59 0.49 0.61 -0.53 0.00 0.00 176.83 176.20 2dml n GLY 126 N -1.52 0.07 3.74 5.77 0.00 -0.12 -4.89 105.19 108.25 2dml n GLY 126 Ca -0.12 0.86 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 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 2.07 1.70 -0.28 1.61 0.04 -1.26 -4.96 135.00 133.92 2dml s PRO 127 Ca 0.92 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.71 2dml s PRO 127 Cb -1.31 -1.85 0.12 0.00 0.04 0.00 0.00 34.50 31.50 2dml s PRO 127 CO 0.69 -1.98 0.94 0.45 0.04 0.00 0.00 177.00 177.14 2dml s SER 128 N -3.41 -0.55 -0.24 6.66 0.15 -1.26 -4.86 113.70 110.18 2dml s SER 128 Ca 0.62 1.01 -0.43 0.00 0.70 0.00 0.00 55.95 57.85 2dml s SER 128 Cb -0.18 1.08 -0.19 0.00 -1.71 0.00 0.00 66.02 65.03 2dml s SER 128 CO 0.57 -0.17 1.42 -0.24 1.20 0.00 0.00 173.24 176.02 2dml n SER 129 N 2.80 1.04 0.00 5.45 2.88 -1.26 -5.23 113.62 119.30 2dml n SER 129 Ca -0.15 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 2dml n SER 129 Cb 0.56 -0.97 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2dml n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42