#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkt n SER 2 N 0.00 2.85 -4.17 1.61 7.64 -1.26 -4.96 113.62 115.32 2dkt n SER 2 Ca 0.00 1.05 -0.11 0.00 1.01 0.00 0.00 58.87 60.82 2dkt n SER 2 Cb 0.00 -1.32 -0.10 0.00 -1.01 0.00 0.00 64.21 61.78 2dkt n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkt s SER 3 N 2.36 0.33 0.00 6.43 0.01 -1.26 -5.17 113.70 116.40 2dkt s SER 3 Ca 0.88 -1.27 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2dkt s SER 3 Cb -0.80 0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.74 2dkt s SER 3 CO 0.49 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.99 2dkt n GLY 4 N -0.17 0.43 3.31 3.44 0.00 -1.26 -5.17 105.19 105.77 2dkt n GLY 4 Ca -0.03 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 2dkt n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkt s SER 5 N 0.00 -0.50 0.30 1.61 1.04 -1.26 -5.17 113.70 109.72 2dkt s SER 5 Ca 0.00 0.90 0.07 0.00 0.48 0.00 0.00 55.95 57.40 2dkt s SER 5 Cb 0.00 0.84 -0.03 0.00 0.10 0.00 0.00 66.02 66.93 2dkt s SER 5 CO 0.00 -0.18 0.25 -0.44 0.98 0.00 0.00 173.24 173.86 2dkt s SER 6 N 0.88 5.41 0.00 7.02 0.01 -1.26 -5.04 113.70 120.73 2dkt s SER 6 Ca -0.05 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2dkt s SER 6 Cb -0.06 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2dkt s SER 6 CO -0.07 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2dkt n GLY 7 N -1.29 0.30 0.00 3.44 0.00 -1.26 -5.14 105.19 101.25 2dkt n GLY 7 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2dkt n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkt n GLY 8 N 0.00 -0.17 3.61 -0.02 0.00 -1.26 -5.07 105.19 102.28 2dkt n GLY 8 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2dkt n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkt s VAL 9 N 0.00 0.00 -0.21 1.61 0.11 -1.26 -5.15 120.40 115.50 2dkt s VAL 9 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2dkt s VAL 9 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2dkt s VAL 9 CO 0.00 0.00 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.51 2dkt s ARG 10 N -0.65 2.86 0.97 1.54 3.00 -1.26 -5.12 118.95 120.28 2dkt s ARG 10 Ca 0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 55.73 54.68 2dkt s ARG 10 Cb -0.02 -2.77 0.17 0.00 0.00 0.00 0.00 34.95 32.33 2dkt s ARG 10 CO -0.04 -0.32 1.14 -0.80 0.00 0.00 0.00 175.30 175.28 2dkt s ASN 11 N 1.28 3.00 -0.30 0.23 0.01 -1.26 -4.99 114.94 112.91 2dkt s ASN 11 Ca 0.01 0.92 -0.26 0.00 -0.71 0.00 0.00 52.86 52.82 2dkt s ASN 11 Cb -0.15 -1.43 0.01 0.00 0.41 0.00 0.00 41.25 40.08 2dkt s ASN 11 CO -0.09 -2.87 0.90 -0.22 -1.51 0.00 0.00 177.10 173.32 2dkt s LEU 12 N -6.21 4.04 -0.05 0.60 2.96 -1.26 -4.99 118.68 113.77 2dkt s LEU 12 Ca 0.66 0.87 -0.31 0.00 -0.22 0.00 0.00 54.13 55.12 2dkt s LEU 12 Cb -0.14 -3.27 0.11 0.00 0.50 0.00 0.00 46.19 43.40 2dkt s LEU 12 CO 0.54 -0.70 1.13 0.00 -1.32 0.00 0.00 176.35 176.01 2dkt s ALA 13 N 3.19 -2.00 0.15 5.97 0.00 -1.26 -5.18 121.76 122.62 2dkt s ALA 13 Ca 0.38 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.39 2dkt s ALA 13 Cb -0.14 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2dkt s ALA 13 CO 0.12 -0.82 -0.05 1.14 0.00 0.00 0.00 175.76 176.15 2dkt s GLN 14 N -2.70 2.26 0.00 0.00 -2.07 -1.26 -5.02 119.66 110.88 2dkt s GLN 14 Ca 0.10 -1.09 0.00 0.00 -1.82 0.00 0.00 55.36 52.55 2dkt s GLN 14 Cb 0.01 -2.32 0.00 0.00 -1.09 0.00 0.00 33.01 29.61 2dkt s GLN 14 CO -0.04 0.47 0.00 0.41 -1.32 0.00 0.00 175.29 174.81 2dkt n GLY 15 N 0.21 -1.39 0.14 2.60 0.00 -1.26 -5.08 105.19 100.41 2dkt n GLY 15 Ca -0.11 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 2dkt n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkt h PRO 16 N 0.00 -0.24 -4.95 1.61 0.13 -1.95 -3.46 132.00 123.15 2dkt h PRO 16 Ca 0.00 0.02 -0.29 0.00 -0.87 0.00 0.00 66.00 64.86 2dkt h PRO 16 Cb 0.00 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 31.01 2dkt h PRO 16 CO 0.00 0.16 -0.41 0.54 -0.23 0.00 0.00 178.00 178.06 2dkt n ARG 17 N -4.99 -0.87 -0.99 0.86 3.00 -1.26 -3.64 116.66 108.76 2dkt n ARG 17 Ca -0.09 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 2dkt n ARG 17 Cb 0.26 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.60 2dkt n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dkt n GLY 18 N -0.79 -4.23 3.96 -0.13 0.00 -0.10 -4.77 105.19 99.14 2dkt n GLY 18 Ca 0.05 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 2dkt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dkt h GLU 20 N 0.24 0.00 0.39 0.00 5.08 -1.96 -2.08 114.58 116.25 2dkt h GLU 20 Ca -0.44 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 2dkt h GLU 20 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dkt h GLU 20 CO 0.55 0.00 -0.19 0.45 -1.00 0.00 0.00 179.01 178.82 2dkt h HIS 21 N 0.00 -0.49 -3.82 4.33 3.86 -2.03 -3.45 115.15 113.55 2dkt h HIS 21 Ca 0.46 -0.01 -0.34 0.00 -1.16 0.00 0.00 60.37 59.31 2dkt h HIS 21 Cb 1.93 0.16 -0.30 0.00 1.06 0.00 0.00 27.41 30.27 2dkt h HIS 21 CO 0.00 -0.31 -0.76 0.71 0.86 0.00 0.00 177.93 178.44 2dkt s TYR 22 N -3.82 0.51 -0.89 2.45 1.51 -0.78 -5.09 117.35 111.24 2dkt s TYR 22 Ca -0.08 -0.10 -0.21 0.00 -1.01 0.00 0.00 57.07 55.67 2dkt s TYR 22 Cb 0.01 -0.37 0.09 0.00 -0.11 0.00 0.00 41.96 41.57 2dkt s TYR 22 CO 0.23 -0.04 1.20 -0.51 -1.11 0.00 0.00 175.55 175.32 2dkt s ASP 23 N 0.10 6.47 0.20 2.29 1.11 -1.26 -2.21 116.67 123.37 2dkt s ASP 23 Ca -0.01 -1.54 0.03 0.00 0.18 0.00 0.00 52.55 51.21 2dkt s ASP 23 Cb -0.05 -2.47 -0.05 0.00 1.07 0.00 0.00 42.92 41.43 2dkt s ASP 23 CO -0.00 -1.33 -0.03 0.00 1.18 0.00 0.00 175.17 174.99 2dkt s ARG 24 N 3.86 1.21 -0.21 8.23 1.70 -1.26 -2.88 118.95 129.60 2dkt s ARG 24 Ca 0.35 -1.59 0.11 0.00 -0.47 0.00 0.00 55.73 54.13 2dkt s ARG 24 Cb -0.06 -0.54 0.42 0.00 -0.57 0.00 0.00 34.95 34.20 2dkt s ARG 24 CO -0.04 -0.06 1.22 0.00 -1.08 0.00 0.00 175.30 175.34 2dkt n ALA 25 N -0.32 3.65 -3.62 7.88 0.00 -1.25 -0.92 120.51 125.92 2dkt n ALA 25 Ca -0.07 -3.30 -0.10 0.00 0.00 0.00 0.00 53.44 49.98 2dkt n ALA 25 Cb 0.63 -0.36 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 2dkt n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkt s LEU 27 N 1.23 4.40 -0.09 0.00 1.02 0.21 -4.82 118.68 120.64 2dkt s LEU 27 Ca -0.07 1.41 -0.16 0.00 0.02 0.00 0.00 54.13 55.33 2dkt s LEU 27 Cb -0.06 -3.45 -0.05 0.00 0.02 0.00 0.00 46.19 42.66 2dkt s LEU 27 CO -0.13 0.09 0.42 -1.48 0.02 0.00 0.00 176.35 175.27 2dkt s LEU 28 N -1.76 4.33 0.45 1.79 0.05 -1.19 -0.13 118.68 122.22 2dkt s LEU 28 Ca 0.40 0.80 -0.23 0.00 0.05 0.00 0.00 54.13 55.14 2dkt s LEU 28 Cb -0.18 -2.59 -0.07 0.00 -2.05 0.00 0.00 46.19 41.30 2dkt s LEU 28 CO 0.21 0.13 1.20 -0.75 -0.55 0.00 0.00 176.35 176.59 2dkt s LYS 29 N 0.03 3.76 -0.42 1.48 2.47 -1.20 -3.43 119.74 122.43 2dkt s LYS 29 Ca 0.23 1.86 -0.08 0.00 -1.56 0.00 0.00 55.97 56.42 2dkt s LYS 29 Cb -0.15 -2.46 0.09 0.00 -1.46 0.00 0.00 37.83 33.84 2dkt s LYS 29 CO 0.10 -0.57 0.25 0.00 0.16 0.00 0.00 175.35 175.29 2dkt s ALA 30 N -1.48 3.27 -2.00 3.13 0.00 0.20 -4.76 121.76 120.13 2dkt s ALA 30 Ca 0.63 -2.24 0.11 0.00 0.00 0.00 0.00 51.96 50.46 2dkt s ALA 30 Cb -0.31 -2.62 0.63 0.00 0.00 0.00 0.00 23.12 20.83 2dkt s ALA 30 CO 0.38 -1.69 1.07 -0.35 0.00 0.00 0.00 175.76 175.17 2dkt n PRO 31 N 4.87 0.49 -0.11 0.00 -0.04 -1.26 0.19 135.00 139.13 2dkt n PRO 31 Ca -0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.14 2dkt n PRO 31 Cb 0.42 -1.34 -0.12 0.00 -0.04 0.00 0.00 33.50 32.43 2dkt n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkt n ASP 34 N -0.17 -5.82 -4.93 0.00 2.03 0.49 -4.98 116.55 103.18 2dkt n ASP 34 Ca 0.00 0.01 -0.26 0.00 0.52 0.00 0.00 54.79 55.06 2dkt n ASP 34 Cb 0.09 -4.85 0.01 0.00 -0.72 0.00 0.00 41.12 35.65 2dkt n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2dkt s LYS 35 N -4.95 2.24 -0.02 -0.67 1.02 -1.17 -4.80 119.74 111.38 2dkt s LYS 35 Ca 0.00 -2.03 0.02 0.00 0.02 0.00 0.00 55.97 53.99 2dkt s LYS 35 Cb 0.00 -2.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.17 2dkt s LYS 35 CO 0.00 -0.70 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.14 2dkt s LEU 36 N -4.35 1.76 -0.02 3.17 1.43 -1.26 0.61 118.68 120.02 2dkt s LEU 36 Ca 0.36 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2dkt s LEU 36 Cb -0.03 -0.48 0.01 0.00 0.03 0.00 0.00 46.19 45.72 2dkt s LEU 36 CO 0.23 0.05 0.11 -0.31 0.23 0.00 0.00 176.35 176.65 2dkt s TYR 37 N 0.23 -0.04 0.05 0.29 1.51 -1.22 -5.00 117.35 113.16 2dkt s TYR 37 Ca -0.03 0.11 -0.09 0.00 -1.01 0.00 0.00 57.07 56.04 2dkt s TYR 37 Cb -0.08 -0.01 -0.02 0.00 -0.11 0.00 0.00 41.96 41.74 2dkt s TYR 37 CO 0.00 -0.14 0.78 2.41 -1.11 0.00 0.00 175.55 177.49 2dkt n THR 38 N 2.45 -0.19 -4.25 -0.71 -1.04 -1.26 -3.19 114.28 106.08 2dkt n THR 38 Ca -0.16 1.20 -0.13 0.00 -2.04 0.00 0.00 64.05 62.92 2dkt n THR 38 Cb 0.58 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.52 2dkt n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dkt h ARG 40 N 0.00 0.00 0.00 0.00 0.11 -1.95 -3.09 114.38 109.45 2dkt h ARG 40 Ca -0.16 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.81 2dkt h ARG 40 Cb 0.59 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.65 2dkt h ARG 40 CO 0.25 0.66 -0.53 -0.07 0.10 0.00 0.00 179.97 180.38 2dkt h LEU 41 N 0.00 0.00 -0.17 0.08 3.38 -1.96 -3.20 115.31 113.44 2dkt h LEU 41 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 2dkt h LEU 41 Cb 1.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.04 2dkt h LEU 41 CO 0.09 0.53 -0.69 0.00 0.09 0.00 0.00 178.44 178.46 2dkt h HIS 43 N 0.48 -1.15 -1.00 0.00 -0.00 -1.53 -0.10 115.15 111.85 2dkt h HIS 43 Ca -0.04 0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 2dkt h HIS 43 Cb 1.32 0.48 -0.09 0.00 -0.00 0.00 0.00 27.41 29.12 2dkt h HIS 43 CO 0.09 -0.47 0.62 0.38 -0.00 0.00 0.00 177.93 178.55 2dkt h ASP 44 N -0.63 0.86 -0.47 3.26 3.04 -1.67 0.10 116.42 120.91 2dkt h ASP 44 Ca -0.02 0.06 -0.00 0.00 -3.24 0.00 0.00 57.03 53.83 2dkt h ASP 44 Cb 0.60 -0.10 -0.02 0.00 -1.04 0.00 0.00 39.33 38.77 2dkt h ASP 44 CO -0.17 0.41 0.28 0.74 -2.04 0.00 0.00 179.24 178.46 2dkt h THR 45 N 0.89 1.14 -0.50 1.15 2.02 -1.17 -1.76 112.91 114.68 2dkt h THR 45 Ca 0.52 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 67.26 2dkt h THR 45 Cb 0.65 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 2dkt h THR 45 CO -0.30 0.15 0.10 0.59 0.37 0.00 0.00 175.52 176.43 2dkt n ASN 46 N -4.43 4.35 -3.97 4.18 3.02 0.12 -4.97 115.26 113.56 2dkt n ASN 46 Ca 0.04 -3.19 -0.09 0.00 -0.03 0.00 0.00 54.58 51.31 2dkt n ASN 46 Cb 0.08 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.54 2dkt n ASN 46 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2dkt s GLU 47 N -2.94 1.40 0.05 3.52 0.41 0.07 -5.01 118.70 116.20 2dkt s GLU 47 Ca 0.49 -1.21 0.23 0.00 -0.41 0.00 0.00 54.97 54.08 2dkt s GLU 47 Cb 0.40 0.44 0.11 0.00 -1.78 0.00 0.00 34.13 33.30 2dkt s GLU 47 CO 0.10 -0.56 1.09 -3.47 -0.49 0.00 0.00 175.26 171.94 2dkt n ASP 48 N -0.32 0.63 -4.71 -0.19 2.03 -1.26 -4.72 116.55 108.00 2dkt n ASP 48 Ca -0.04 -0.20 -0.25 0.00 0.52 0.00 0.00 54.79 54.81 2dkt n ASP 48 Cb 0.63 0.68 -0.08 0.00 -0.72 0.00 0.00 41.12 41.62 2dkt n ASP 48 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 2dkt s HIS 49 N -3.17 2.59 0.24 -0.67 -3.43 -1.26 -5.12 115.29 104.46 2dkt s HIS 49 Ca 0.05 -0.60 0.05 0.00 -0.80 0.00 0.00 55.06 53.76 2dkt s HIS 49 Cb 0.15 -1.90 -0.03 0.00 -1.43 0.00 0.00 32.58 29.36 2dkt s HIS 49 CO 0.79 0.26 0.30 1.14 -2.00 0.00 0.00 174.74 175.23 2dkt s GLN 50 N -3.85 3.28 0.12 -0.38 -2.07 -1.26 -4.17 119.66 111.33 2dkt s GLN 50 Ca 0.39 -0.84 0.11 0.00 -1.82 0.00 0.00 55.36 53.20 2dkt s GLN 50 Cb 0.05 -2.80 -0.04 0.00 -1.09 0.00 0.00 33.01 29.14 2dkt s GLN 50 CO 0.21 0.43 -0.26 -1.17 -1.32 0.00 0.00 175.29 173.18 2dkt s LEU 51 N -3.88 2.32 0.56 2.60 0.20 -1.26 -5.00 118.68 114.22 2dkt s LEU 51 Ca 0.34 -0.72 -0.07 0.00 0.69 0.00 0.00 54.13 54.36 2dkt s LEU 51 Cb -0.09 -1.25 -0.02 0.00 -0.43 0.00 0.00 46.19 44.40 2dkt s LEU 51 CO 0.28 0.19 0.89 -1.81 -0.29 0.00 0.00 176.35 175.61 2dkt s ASP 52 N -1.96 6.05 -0.00 3.68 1.11 -1.26 -5.00 116.67 119.28 2dkt s ASP 52 Ca 0.14 1.02 0.11 0.00 0.18 0.00 0.00 52.55 53.99 2dkt s ASP 52 Cb -0.10 -2.16 -0.12 0.00 1.07 0.00 0.00 42.92 41.61 2dkt s ASP 52 CO 0.06 -0.81 0.44 -2.11 1.18 0.00 0.00 175.17 173.93 2dkt n ARG 53 N -2.51 3.34 -0.10 8.23 1.85 -1.26 -4.59 116.66 121.63 2dkt n ARG 53 Ca 0.03 -0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.71 2dkt n ARG 53 Cb 0.56 -1.01 -0.08 0.00 -1.05 0.00 0.00 32.46 30.87 2dkt n ARG 53 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2dkt n PHE 54 N -1.28 0.00 -0.05 2.89 3.72 -1.26 -4.47 117.46 117.00 2dkt n PHE 54 Ca 0.02 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.36 2dkt n PHE 54 Cb 0.17 -0.74 -0.04 0.00 -0.94 0.00 0.00 39.48 37.93 2dkt n PHE 54 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2dkt h LYS 55 N -0.28 -0.17 -6.57 -1.08 1.79 -1.95 -3.41 116.57 104.90 2dkt h LYS 55 Ca -0.46 0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 57.43 2dkt h LYS 55 Cb 1.58 0.04 0.13 0.00 -1.58 0.00 0.00 32.23 32.40 2dkt h LYS 55 CO -0.16 -0.11 0.08 1.55 -1.08 0.00 0.00 179.45 179.72 2dkt n VAL 56 N -3.82 2.28 0.00 0.50 3.14 -1.26 -4.91 118.33 114.26 2dkt n VAL 56 Ca -0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 2dkt n VAL 56 Cb 0.14 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 31.89 2dkt n VAL 56 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2dkt n LYS 57 N 0.31 0.67 -2.43 1.45 3.00 -1.26 -4.99 118.16 114.91 2dkt n LYS 57 Ca 0.10 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 58.09 2dkt n LYS 57 Cb 0.38 -0.73 -0.03 0.00 0.00 0.00 0.00 35.03 34.65 2dkt n LYS 57 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2dkt s GLU 58 N -1.46 3.92 0.08 1.64 2.02 -1.26 -1.49 118.70 122.15 2dkt s GLU 58 Ca 0.00 0.90 -0.03 0.00 0.02 0.00 0.00 54.97 55.86 2dkt s GLU 58 Cb 0.00 -2.16 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 2dkt s GLU 58 CO 0.00 -0.26 0.04 0.14 0.02 0.00 0.00 175.26 175.20 2dkt s VAL 59 N -2.62 0.17 0.02 2.63 -7.23 -0.71 -3.28 120.40 109.39 2dkt s VAL 59 Ca 0.58 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.11 2dkt s VAL 59 Cb -0.10 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2dkt s VAL 59 CO 0.32 -0.79 -0.19 -1.58 -0.31 0.00 0.00 175.10 172.55 2dkt s GLN 60 N -3.94 1.36 0.39 4.82 0.74 0.81 -2.79 119.66 121.04 2dkt s GLN 60 Ca 0.11 -0.80 -0.19 0.00 0.05 0.00 0.00 55.36 54.53 2dkt s GLN 60 Cb 0.07 -1.40 -0.10 0.00 1.10 0.00 0.00 33.01 32.68 2dkt s GLN 60 CO -0.07 0.37 0.88 0.00 -0.55 0.00 0.00 175.29 175.92 2dkt n ILE 62 N -0.48 0.00 -0.08 0.00 -6.64 -0.65 -3.07 119.36 108.45 2dkt n ILE 62 Ca 0.06 -0.14 -0.12 0.00 -1.77 0.00 0.00 62.75 60.78 2dkt n ILE 62 Cb 0.54 1.04 -0.06 0.00 -1.44 0.00 0.00 39.64 39.72 2dkt n ILE 62 CO 0.00 0.00 0.00 0.78 -1.77 0.00 0.00 176.55 175.56 2dkt h ASN 63 N 0.39 0.00 -0.22 7.28 2.35 -1.94 -3.41 115.58 120.04 2dkt h ASN 63 Ca 0.00 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 2dkt h ASN 63 Cb 0.45 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 2dkt h ASN 63 CO 0.00 1.05 -0.01 0.00 -1.65 0.00 0.00 177.43 176.82 2dkt n GLU 65 N -0.75 -0.80 -3.30 0.00 1.02 -1.17 -4.85 120.64 110.79 2dkt n GLU 65 Ca 0.22 0.10 -0.32 0.00 -0.02 0.00 0.00 57.16 57.14 2dkt n GLU 65 Cb 0.86 -3.34 -0.05 0.00 -0.02 0.00 0.00 31.44 28.88 2dkt n GLU 65 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dkt s LYS 66 N -5.48 3.85 0.04 3.49 2.47 -1.26 -4.80 119.74 118.05 2dkt s LYS 66 Ca 0.58 0.39 -0.16 0.00 -1.56 0.00 0.00 55.97 55.22 2dkt s LYS 66 Cb -0.34 -2.57 -0.06 0.00 -1.46 0.00 0.00 37.83 33.40 2dkt s LYS 66 CO 0.73 0.24 0.47 -1.17 0.16 0.00 0.00 175.35 175.79 2dkt s LEU 67 N -2.96 4.47 0.17 5.43 2.96 -1.26 -1.80 118.68 125.69 2dkt s LEU 67 Ca 0.49 1.06 -0.24 0.00 -0.22 0.00 0.00 54.13 55.23 2dkt s LEU 67 Cb -0.11 -2.78 0.06 0.00 0.50 0.00 0.00 46.19 43.87 2dkt s LEU 67 CO 0.21 0.28 0.96 0.00 -1.32 0.00 0.00 176.35 176.48 2dkt s GLN 68 N -1.22 1.27 0.48 1.98 0.00 -1.12 -4.93 119.66 116.11 2dkt s GLN 68 Ca 0.27 -0.72 0.09 0.00 -0.00 0.00 0.00 55.36 54.99 2dkt s GLN 68 Cb -0.17 0.42 0.04 0.00 0.00 0.00 0.00 33.01 33.29 2dkt s GLN 68 CO 0.16 -0.58 0.63 -1.01 0.00 0.00 0.00 175.29 174.49 2dkt s HIS 69 N -3.13 2.26 -0.42 9.60 3.76 -1.26 -1.74 115.29 124.35 2dkt s HIS 69 Ca 0.14 -0.54 -0.44 0.00 -0.15 0.00 0.00 55.06 54.07 2dkt s HIS 69 Cb -0.02 -2.29 -0.18 0.00 1.11 0.00 0.00 32.58 31.20 2dkt s HIS 69 CO 0.03 -0.67 1.72 0.00 -0.85 0.00 0.00 174.74 174.97 2dkt n ALA 70 N -1.97 -0.74 -3.45 -1.40 0.00 -0.56 -4.60 120.51 107.79 2dkt n ALA 70 Ca 0.10 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 2dkt n ALA 70 Cb 0.60 -2.06 0.02 0.00 0.00 0.00 0.00 19.45 18.01 2dkt n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkt n GLN 71 N 4.94 0.63 -0.04 0.00 10.64 -1.26 -5.06 117.38 127.22 2dkt n GLN 71 Ca 0.32 -1.25 -0.01 0.00 -1.83 0.00 0.00 57.00 54.23 2dkt n GLN 71 Cb 0.01 1.55 -0.11 0.00 -0.86 0.00 0.00 30.24 30.84 2dkt n GLN 71 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 2dkt n GLN 72 N -0.30 1.32 -4.14 2.61 7.27 -1.26 -4.95 117.38 117.94 2dkt n GLN 72 Ca -0.05 -0.05 -0.13 0.00 0.07 0.00 0.00 57.00 56.83 2dkt n GLN 72 Cb 0.33 -1.34 -0.11 0.00 2.41 0.00 0.00 30.24 31.53 2dkt n GLN 72 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2dkt s THR 73 N -2.57 0.77 0.83 1.69 2.01 -1.26 -0.57 115.64 116.54 2dkt s THR 73 Ca -0.06 -1.49 -0.11 0.00 0.31 0.00 0.00 61.69 60.34 2dkt s THR 73 Cb 0.06 -1.16 0.09 0.00 0.01 0.00 0.00 72.50 71.50 2dkt s THR 73 CO 0.56 -0.54 1.09 0.00 -0.69 0.00 0.00 174.62 175.04 2dkt n GLU 75 N -3.71 2.70 0.00 0.00 1.02 -1.26 -3.26 120.64 116.12 2dkt n GLU 75 Ca 0.08 -2.07 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 2dkt n GLU 75 Cb 0.54 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2dkt n GLU 75 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2dkt n ASP 76 N 0.68 2.52 -0.00 1.62 2.03 -1.26 -4.84 116.55 117.30 2dkt n ASP 76 Ca 0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2dkt n ASP 76 Cb 0.44 0.14 -0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2dkt n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dkt n SER 78 N -1.04 -2.30 -4.58 0.00 2.88 -1.20 -4.93 113.62 102.45 2dkt n SER 78 Ca 0.00 -0.82 -0.40 0.00 -1.33 0.00 0.00 58.87 56.32 2dkt n SER 78 Cb 0.01 -3.93 -0.09 0.00 -0.75 0.00 0.00 64.21 59.45 2dkt n SER 78 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dkt s THR 79 N -3.57 5.11 -0.36 2.46 2.01 -1.26 -4.68 115.64 115.35 2dkt s THR 79 Ca 0.22 0.40 -0.35 0.00 0.31 0.00 0.00 61.69 62.28 2dkt s THR 79 Cb -0.11 -3.83 -0.11 0.00 0.01 0.00 0.00 72.50 68.46 2dkt s THR 79 CO 0.82 -0.03 2.21 -0.11 -0.69 0.00 0.00 174.62 176.82 2dkt n LEU 80 N 5.50 2.12 0.00 4.42 7.94 -1.26 -3.27 117.00 132.45 2dkt n LEU 80 Ca -0.07 0.37 0.05 0.00 -1.11 0.00 0.00 56.01 55.25 2dkt n LEU 80 Cb 0.50 -1.27 0.28 0.00 0.53 0.00 0.00 43.42 43.46 2dkt n LEU 80 CO 0.41 -0.76 0.59 0.49 -1.11 0.00 0.00 177.39 177.01 2dkt n PHE 81 N 10.09 0.00 0.00 1.96 3.72 0.26 -4.66 117.46 128.83 2dkt n PHE 81 Ca 0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 2dkt n PHE 81 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2dkt n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dkt n GLY 82 N 0.38 3.35 0.28 1.37 0.00 -1.26 -3.92 105.19 105.39 2dkt n GLY 82 Ca 0.07 -0.33 0.25 0.00 0.00 0.00 0.00 46.02 46.01 2dkt n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dkt n GLU 83 N 0.00 -0.05 -4.14 1.61 -0.58 -1.23 -3.87 120.64 112.37 2dkt n GLU 83 Ca 0.00 1.21 -0.35 0.00 -0.42 0.00 0.00 57.16 57.60 2dkt n GLU 83 Cb 0.00 -2.13 -0.13 0.00 -0.57 0.00 0.00 31.44 28.61 2dkt n GLU 83 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2dkt s TYR 84 N -5.40 3.01 -0.19 -0.32 5.04 -0.90 -5.02 117.35 113.58 2dkt s TYR 84 Ca -0.08 -0.51 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2dkt s TYR 84 Cb 0.29 -2.05 0.04 0.00 0.35 0.00 0.00 41.96 40.59 2dkt s TYR 84 CO 0.67 -0.25 -0.08 1.52 -1.34 0.00 0.00 175.55 176.08 2dkt s TYR 85 N 0.93 2.13 0.15 4.97 1.13 -1.25 -1.86 117.35 123.55 2dkt s TYR 85 Ca 0.01 -1.41 -0.24 0.00 -1.41 0.00 0.00 57.07 54.01 2dkt s TYR 85 Cb -0.14 -1.51 -0.08 0.00 -1.10 0.00 0.00 41.96 39.13 2dkt s TYR 85 CO 0.01 -0.70 0.74 0.00 -2.51 0.00 0.00 175.55 173.10 2dkt n SER 87 N 1.67 0.55 -0.03 0.00 3.41 -1.26 -2.02 113.62 115.93 2dkt n SER 87 Ca -0.06 0.20 -0.14 0.00 -0.26 0.00 0.00 58.87 58.61 2dkt n SER 87 Cb 0.49 0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 64.72 2dkt n SER 87 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2dkt h ILE 88 N 0.00 1.53 0.00 -1.33 2.04 -1.94 -3.32 117.51 114.49 2dkt h ILE 88 Ca -0.42 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 63.71 2dkt h ILE 88 Cb 2.12 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 40.83 2dkt h ILE 88 CO 0.05 0.46 -1.04 0.00 0.00 0.00 0.00 178.15 177.63 2dkt n HIS 90 N -2.49 -1.56 -4.12 0.00 8.25 -0.86 -4.45 115.22 109.99 2dkt n HIS 90 Ca 0.00 0.39 -0.28 0.00 -0.26 0.00 0.00 57.72 57.57 2dkt n HIS 90 Cb 0.52 -3.89 -0.07 0.00 1.12 0.00 0.00 29.99 27.68 2dkt n HIS 90 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2dkt s LEU 91 N -5.57 3.58 -0.11 2.41 0.20 -1.21 -4.90 118.68 113.08 2dkt s LEU 91 Ca 0.23 -0.19 0.01 0.00 0.69 0.00 0.00 54.13 54.87 2dkt s LEU 91 Cb -0.10 -2.25 0.02 0.00 -0.43 0.00 0.00 46.19 43.43 2dkt s LEU 91 CO 0.28 0.12 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.98 2dkt s PHE 92 N -1.55 1.77 0.02 5.38 0.08 -1.26 -0.88 117.98 121.55 2dkt s PHE 92 Ca 0.28 -0.84 0.04 0.00 0.12 0.00 0.00 56.93 56.53 2dkt s PHE 92 Cb -0.11 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.00 2dkt s PHE 92 CO 0.20 -0.47 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.24 2dkt s ASP 93 N 1.16 1.27 1.15 1.36 1.11 -0.78 -4.40 116.67 117.54 2dkt s ASP 93 Ca -0.04 -0.37 -0.17 0.00 0.18 0.00 0.00 52.55 52.15 2dkt s ASP 93 Cb -0.14 -0.08 0.26 0.00 1.07 0.00 0.00 42.92 44.03 2dkt s ASP 93 CO -0.03 0.01 1.09 -0.54 1.18 0.00 0.00 175.17 176.88 2dkt s LYS 94 N -0.90 -0.78 -0.61 8.23 -0.14 -1.14 -2.11 119.74 122.28 2dkt s LYS 94 Ca -0.00 0.19 -0.26 0.00 -1.36 0.00 0.00 55.97 54.54 2dkt s LYS 94 Cb -0.07 -1.62 -0.10 0.00 -1.68 0.00 0.00 37.83 34.36 2dkt s LYS 94 CO 0.01 -3.47 2.43 -3.47 -0.76 0.00 0.00 175.35 170.08 2dkt n ASP 95 N -4.64 2.00 -1.89 2.83 2.03 -1.26 -4.69 116.55 110.92 2dkt n ASP 95 Ca 0.10 -0.77 -0.01 0.00 0.52 0.00 0.00 54.79 54.62 2dkt n ASP 95 Cb 0.58 -1.56 0.06 0.00 -0.72 0.00 0.00 41.12 39.49 2dkt n ASP 95 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dkt n LYS 96 N 8.86 1.40 -3.92 -0.67 5.02 -1.26 -5.00 118.16 122.58 2dkt n LYS 96 Ca 0.42 -3.05 -0.27 0.00 -2.02 0.00 0.00 58.31 53.39 2dkt n LYS 96 Cb 0.48 -1.15 -0.06 0.00 -0.02 0.00 0.00 35.03 34.28 2dkt n LYS 96 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2dkt n ARG 97 N -0.32 -0.84 -3.75 1.97 0.00 -1.26 -4.51 116.66 107.96 2dkt n ARG 97 Ca 0.14 0.04 -0.20 0.00 -0.00 0.00 0.00 57.85 57.83 2dkt n ARG 97 Cb 0.93 -2.53 -0.02 0.00 0.00 0.00 0.00 32.46 30.84 2dkt n ARG 97 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2dkt s GLN 98 N -6.50 3.11 0.03 -0.14 -2.07 -1.26 -2.77 119.66 110.07 2dkt s GLN 98 Ca 0.08 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.62 2dkt s GLN 98 Cb -0.04 -2.74 -0.03 0.00 -1.09 0.00 0.00 33.01 29.10 2dkt s GLN 98 CO 0.77 0.21 -0.04 1.52 -1.32 0.00 0.00 175.29 176.43 2dkt s TYR 99 N -2.14 0.41 -0.23 9.60 -0.85 0.41 -4.83 117.35 119.72 2dkt s TYR 99 Ca 0.40 -0.66 -0.08 0.00 -0.52 0.00 0.00 57.07 56.21 2dkt s TYR 99 Cb -0.08 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 41.93 2dkt s TYR 99 CO 0.29 -0.21 0.10 -1.58 -1.52 0.00 0.00 175.55 172.63 2dkt s HIS 100 N -2.07 3.19 0.04 -3.49 5.65 -1.26 -0.33 115.29 117.02 2dkt s HIS 100 Ca -0.09 -0.09 -0.28 0.00 0.25 0.00 0.00 55.06 54.86 2dkt s HIS 100 Cb -0.06 -2.21 -0.05 0.00 -1.18 0.00 0.00 32.58 29.09 2dkt s HIS 100 CO -0.03 -0.10 0.88 0.00 -0.65 0.00 0.00 174.74 174.85 2dkt h GLU 102 N 6.15 0.35 -0.93 0.00 5.08 -1.95 0.28 114.58 123.56 2dkt h GLU 102 Ca -0.42 -0.60 0.09 0.00 -1.00 0.00 0.00 59.36 57.43 2dkt h GLU 102 Cb 1.21 0.22 -0.07 0.00 0.50 0.00 0.00 28.75 30.61 2dkt h GLU 102 CO 0.73 1.29 0.60 1.03 -1.00 0.00 0.00 179.01 181.65 2dkt h SER 103 N -0.25 0.87 0.39 1.42 0.87 -1.97 -2.35 113.55 112.53 2dkt h SER 103 Ca -0.18 0.02 -0.20 0.00 -1.23 0.00 0.00 61.79 60.20 2dkt h SER 103 Cb 1.77 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.54 2dkt h SER 103 CO 0.17 0.52 -1.78 0.00 -0.53 0.00 0.00 176.83 175.21 2dkt n GLY 105 N 1.47 0.92 3.29 0.00 0.00 0.95 -5.02 105.19 106.81 2dkt n GLY 105 Ca -0.15 -0.66 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 2dkt n GLY 105 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dkt s ILE 106 N -2.31 1.49 0.24 -0.61 -4.36 -1.06 -4.67 121.20 109.93 2dkt s ILE 106 Ca 0.00 -1.98 -0.24 0.00 -0.26 0.00 0.00 60.65 58.17 2dkt s ILE 106 Cb 0.00 -1.81 -0.09 0.00 1.25 0.00 0.00 42.46 41.82 2dkt s ILE 106 CO 0.00 -0.54 0.84 0.00 0.24 0.00 0.00 174.94 175.48 2dkt s ARG 108 N -1.71 0.28 0.28 0.00 0.52 0.56 -4.91 118.95 113.96 2dkt s ARG 108 Ca 0.43 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.62 2dkt s ARG 108 Cb -0.20 0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.31 2dkt s ARG 108 CO 0.24 -0.04 1.07 0.42 0.02 0.00 0.00 175.30 177.02 2dkt s ILE 109 N 0.02 3.60 0.00 1.52 -1.09 -1.26 -0.45 121.20 123.54 2dkt s ILE 109 Ca -0.01 1.59 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 2dkt s ILE 109 Cb -0.02 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 2dkt s ILE 109 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 2dkt n GLY 110 N 1.19 1.16 3.66 6.18 0.00 -1.11 -4.77 105.19 111.49 2dkt n GLY 110 Ca -0.01 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 2dkt n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkt s PRO 111 N 1.32 4.18 0.33 1.61 0.04 -1.26 -5.01 135.00 136.21 2dkt s PRO 111 Ca 0.00 2.00 0.23 0.00 0.04 0.00 0.00 61.00 63.27 2dkt s PRO 111 Cb 0.00 -3.92 1.15 0.00 0.04 0.00 0.00 34.50 31.78 2dkt s PRO 111 CO 0.00 -0.82 1.25 1.17 0.04 0.00 0.00 177.00 178.64 2dkt n LYS 112 N 6.98 -0.04 -0.11 4.56 4.81 -1.26 0.11 118.16 133.21 2dkt n LYS 112 Ca 0.16 1.03 -0.05 0.00 -0.87 0.00 0.00 58.31 58.58 2dkt n LYS 112 Cb 0.43 -1.97 0.01 0.00 0.02 0.00 0.00 35.03 33.52 2dkt n LYS 112 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2dkt h GLU 113 N 0.00 -0.09 -1.45 1.64 4.39 -1.97 0.22 114.58 117.32 2dkt h GLU 113 Ca 0.69 0.01 -0.25 0.00 0.34 0.00 0.00 59.36 60.15 2dkt h GLU 113 Cb 2.11 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 30.66 2dkt h GLU 113 CO -0.45 -0.06 0.33 -0.25 -1.16 0.00 0.00 179.01 177.41 2dkt n ASP 114 N -5.35 5.51 -3.84 1.42 9.92 0.31 -4.85 116.55 119.67 2dkt n ASP 114 Ca 0.02 -2.88 -0.08 0.00 -0.53 0.00 0.00 54.79 51.32 2dkt n ASP 114 Cb 0.26 -0.96 -0.03 0.00 -0.64 0.00 0.00 41.12 39.76 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2dkt s PHE 115 N -1.47 -0.11 0.25 1.24 0.40 0.07 -2.60 117.98 115.76 2dkt s PHE 115 Ca 0.25 -0.30 -0.20 0.00 -0.60 0.00 0.00 56.93 56.08 2dkt s PHE 115 Cb 0.20 0.57 0.07 0.00 0.51 0.00 0.00 43.02 44.37 2dkt s PHE 115 CO 0.01 -1.13 0.95 -0.59 0.70 0.00 0.00 175.22 175.16 2dkt s PHE 116 N -3.92 0.08 -0.06 0.36 -0.12 0.11 -4.61 117.98 109.82 2dkt s PHE 116 Ca 0.12 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.44 2dkt s PHE 116 Cb -0.04 0.75 0.02 0.00 -0.63 0.00 0.00 43.02 43.11 2dkt s PHE 116 CO 0.05 -1.14 -0.09 -1.58 -0.05 0.00 0.00 175.22 172.41 2dkt s HIS 117 N -2.25 1.22 0.01 3.49 5.65 -1.26 0.01 115.29 122.16 2dkt s HIS 117 Ca 0.19 -0.45 -0.10 0.00 0.25 0.00 0.00 55.06 54.96 2dkt s HIS 117 Cb -0.03 -0.95 -0.05 0.00 -1.18 0.00 0.00 32.58 30.36 2dkt s HIS 117 CO 0.07 -0.28 0.34 0.00 -0.65 0.00 0.00 174.74 174.22 2dkt n LEU 119 N 1.37 0.39 -0.28 0.00 4.77 -1.26 -1.66 117.00 120.32 2dkt n LEU 119 Ca -0.12 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2dkt n LEU 119 Cb 0.53 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 2dkt n LEU 119 CO 0.39 -0.43 0.45 1.17 -1.33 0.00 0.00 177.39 177.64 2dkt n LYS 120 N -1.79 -0.15 -0.11 3.23 0.00 -1.26 0.20 118.16 118.28 2dkt n LYS 120 Ca 0.00 1.15 -0.10 0.00 0.00 0.00 0.00 58.31 59.37 2dkt n LYS 120 Cb 0.00 -1.71 0.05 0.00 0.00 0.00 0.00 35.03 33.36 2dkt n LYS 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkt n ASN 122 N -4.10 -2.26 -3.83 0.00 2.85 0.53 -5.05 115.26 103.41 2dkt n ASN 122 Ca -0.00 -0.24 -0.07 0.00 -0.11 0.00 0.00 54.58 54.17 2dkt n ASN 122 Cb 0.46 -2.29 -0.02 0.00 1.24 0.00 0.00 39.78 39.18 2dkt n ASN 122 CO 0.00 0.00 0.00 -1.48 -2.11 0.00 0.00 177.26 173.67 2dkt s LEU 123 N -3.65 -0.25 -0.04 1.20 0.05 -1.08 -4.97 118.68 109.93 2dkt s LEU 123 Ca 0.03 -0.56 -0.17 0.00 0.05 0.00 0.00 54.13 53.49 2dkt s LEU 123 Cb -0.01 2.62 -0.05 0.00 -2.05 0.00 0.00 46.19 46.70 2dkt s LEU 123 CO 0.28 -1.26 0.45 0.00 -0.55 0.00 0.00 176.35 175.27 2dkt s LEU 125 N -0.42 2.31 0.35 0.00 1.43 0.10 -4.96 118.68 117.50 2dkt s LEU 125 Ca 0.25 -0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 52.44 2dkt s LEU 125 Cb -0.16 -0.05 -0.09 0.00 0.03 0.00 0.00 46.19 45.91 2dkt s LEU 125 CO 0.13 -0.30 1.01 0.28 0.23 0.00 0.00 176.35 177.69 2dkt s THR 126 N -1.97 3.90 0.27 5.49 -1.32 -1.26 0.06 115.64 120.82 2dkt s THR 126 Ca -0.07 1.57 -0.01 0.00 -1.21 0.00 0.00 61.69 61.97 2dkt s THR 126 Cb -0.06 -3.86 0.29 0.00 -1.51 0.00 0.00 72.50 67.35 2dkt s THR 126 CO -0.02 0.11 1.66 0.71 -2.21 0.00 0.00 174.62 174.88 2dkt h THR 127 N 2.49 0.38 -0.99 5.08 1.35 -1.75 0.98 112.91 120.45 2dkt h THR 127 Ca -0.47 -0.08 0.36 0.00 -0.55 0.00 0.00 66.41 65.66 2dkt h THR 127 Cb 1.20 0.13 -0.18 0.00 -1.73 0.00 0.00 68.15 67.58 2dkt h THR 127 CO 0.64 0.04 0.38 -1.13 -0.25 0.00 0.00 175.52 175.20 2dkt h ASN 128 N 0.23 0.09 -0.70 5.36 -1.24 -1.92 1.40 115.58 118.80 2dkt h ASN 128 Ca 0.50 0.26 -0.46 0.00 0.71 0.00 0.00 56.30 57.31 2dkt h ASN 128 Cb 0.96 0.32 -0.21 0.00 0.73 0.00 0.00 38.32 40.12 2dkt h ASN 128 CO -0.61 -0.37 0.59 0.18 -1.29 0.00 0.00 177.43 175.94 2dkt n LEU 129 N -5.31 6.80 -1.84 0.34 4.77 0.34 -4.70 117.00 117.41 2dkt n LEU 129 Ca 0.32 -3.62 -0.06 0.00 -0.03 0.00 0.00 56.01 52.62 2dkt n LEU 129 Cb 1.07 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2dkt n LEU 129 CO -0.00 1.26 1.26 -2.11 -1.33 0.00 0.00 177.39 176.48 2dkt n ARG 130 N -0.27 1.44 0.00 3.23 1.85 0.48 -3.81 116.66 119.58 2dkt n ARG 130 Ca 0.44 -0.53 0.00 0.00 -1.00 0.00 0.00 57.85 56.76 2dkt n ARG 130 Cb 0.72 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.56 2dkt n ARG 130 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dkt n GLY 131 N 2.13 1.40 0.16 2.89 0.00 -1.26 -5.01 105.19 105.50 2dkt n GLY 131 Ca 0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 2dkt n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkt h LYS 132 N 0.00 -0.20 -6.43 1.61 1.63 -1.86 -3.41 116.57 107.90 2dkt h LYS 132 Ca 0.00 0.01 -0.54 0.00 -0.85 0.00 0.00 60.65 59.27 2dkt h LYS 132 Cb 0.00 0.04 0.03 0.00 -0.60 0.00 0.00 32.23 31.71 2dkt h LYS 132 CO 0.00 -0.13 1.14 -2.39 -3.45 0.00 0.00 179.45 174.62 2dkt n HIS 133 N -5.24 2.54 -3.56 1.91 1.44 -1.25 -4.96 115.22 106.09 2dkt n HIS 133 Ca -0.06 -0.19 -0.37 0.00 -2.01 0.00 0.00 57.72 55.09 2dkt n HIS 133 Cb 0.17 -2.74 -0.08 0.00 0.12 0.00 0.00 29.99 27.45 2dkt n HIS 133 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2dkt s LYS 134 N 3.37 4.16 -0.84 -1.40 -2.85 -1.26 -5.03 119.74 115.89 2dkt s LYS 134 Ca 0.85 -0.05 -0.23 0.00 -1.00 0.00 0.00 55.97 55.55 2dkt s LYS 134 Cb -0.50 -3.50 0.07 0.00 -2.06 0.00 0.00 37.83 31.84 2dkt s LYS 134 CO 0.40 0.10 1.22 0.00 0.10 0.00 0.00 175.35 177.17 2dkt s ILE 136 N 4.48 0.00 0.24 0.00 1.10 -1.26 -4.95 121.20 120.82 2dkt s ILE 136 Ca 0.34 0.00 0.08 0.00 -0.51 0.00 0.00 60.65 60.56 2dkt s ILE 136 Cb -0.07 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.50 2dkt s ILE 136 CO 0.02 0.00 0.08 -1.83 -2.11 0.00 0.00 174.94 171.10 2dkt s GLU 137 N 0.52 2.58 0.17 3.50 -1.05 -1.26 -5.03 118.70 118.11 2dkt s GLU 137 Ca -0.01 -1.21 -0.21 0.00 -0.15 0.00 0.00 54.97 53.39 2dkt s GLU 137 Cb -0.05 -2.36 0.08 0.00 -0.44 0.00 0.00 34.13 31.35 2dkt s GLU 137 CO -0.03 0.40 1.62 1.03 0.95 0.00 0.00 175.26 179.23 2dkt h SER 138 N 1.88 -0.83 -0.95 0.83 0.87 -2.03 -3.42 113.55 109.89 2dkt h SER 138 Ca -0.46 0.16 -0.74 0.00 -1.23 0.00 0.00 61.79 59.52 2dkt h SER 138 Cb 1.24 0.41 0.05 0.00 -0.44 0.00 0.00 62.40 63.66 2dkt h SER 138 CO 0.60 -0.27 0.01 0.61 -0.53 0.00 0.00 176.83 177.25 2dkt n GLY 139 N -1.39 -0.38 0.17 5.77 0.00 -1.26 -4.87 105.19 103.23 2dkt n GLY 139 Ca 0.01 0.69 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 2dkt n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkt h PRO 140 N 2.71 0.50 -3.52 1.61 0.13 -2.06 -3.48 132.00 127.89 2dkt h PRO 140 Ca -0.47 -0.26 -0.20 0.00 -0.87 0.00 0.00 66.00 64.21 2dkt h PRO 140 Cb 1.36 0.01 0.07 0.00 0.13 0.00 0.00 31.00 32.57 2dkt h PRO 140 CO 0.61 0.84 -0.35 0.45 -0.23 0.00 0.00 178.00 179.32 2dkt n SER 141 N -4.44 -3.87 -4.80 1.44 2.88 -1.26 -5.00 113.62 98.57 2dkt n SER 141 Ca -0.05 -0.28 -0.34 0.00 -1.33 0.00 0.00 58.87 56.87 2dkt n SER 141 Cb 0.40 -2.80 -0.03 0.00 -0.75 0.00 0.00 64.21 61.03 2dkt n SER 141 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dkt s SER 142 N -3.25 6.22 0.00 -3.46 0.01 -1.26 -5.30 113.70 106.67 2dkt s SER 142 Ca 0.25 1.95 0.00 0.00 1.31 0.00 0.00 55.95 59.45 2dkt s SER 142 Cb -0.11 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2dkt s SER 142 CO 0.37 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.77