#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkt s SER 2 N 0.00 4.48 0.10 1.61 0.01 -1.26 -5.15 113.70 113.49 2dkt s SER 2 Ca 0.00 -1.30 0.07 0.00 1.31 0.00 0.00 55.95 56.03 2dkt s SER 2 Cb 0.00 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.45 2dkt s SER 2 CO 0.00 -0.93 -0.19 -0.55 0.41 0.00 0.00 173.24 171.98 2dkt s SER 3 N -4.11 2.34 -0.09 2.44 0.15 -1.26 -5.14 113.70 108.03 2dkt s SER 3 Ca 0.29 -0.70 0.04 0.00 0.70 0.00 0.00 55.95 56.28 2dkt s SER 3 Cb -0.00 -0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 2dkt s SER 3 CO 0.17 0.01 -0.24 -0.83 1.20 0.00 0.00 173.24 173.55 2dkt s GLY 4 N -1.98 1.34 0.01 9.45 0.00 -1.26 -5.12 107.32 109.75 2dkt s GLY 4 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.81 2dkt s GLY 4 CO 0.04 -0.42 -0.06 -1.35 0.00 0.00 0.00 173.10 171.30 2dkt s SER 5 N 0.17 0.72 -0.14 1.64 1.04 -1.26 -5.15 113.70 110.72 2dkt s SER 5 Ca -0.14 -0.28 -0.32 0.00 0.48 0.00 0.00 55.95 55.70 2dkt s SER 5 Cb -0.17 -0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.06 2dkt s SER 5 CO 0.07 -0.04 1.09 -0.55 0.98 0.00 0.00 173.24 174.79 2dkt s SER 6 N -0.71 -0.23 0.00 7.02 0.15 -1.26 -5.15 113.70 113.52 2dkt s SER 6 Ca -0.03 0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2dkt s SER 6 Cb -0.05 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 2dkt s SER 6 CO 0.00 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.70 2dkt n GLY 7 N 0.05 0.66 0.00 9.45 0.00 -1.26 -5.11 105.19 108.99 2dkt n GLY 7 Ca -0.04 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.79 3.70 -0.02 0.00 -1.26 -5.00 105.19 101.82 2dkt n GLY 8 Ca 0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 2dkt n GLY 8 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dkt s VAL 9 N -0.75 4.88 0.86 1.61 -7.23 -1.26 -5.03 120.40 113.48 2dkt s VAL 9 Ca 0.00 1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 61.92 2dkt s VAL 9 Cb 0.00 -4.23 0.12 0.00 0.56 0.00 0.00 36.38 32.83 2dkt s VAL 9 CO 0.00 0.10 1.16 0.00 -0.31 0.00 0.00 175.10 176.05 2dkt s ARG 10 N 1.50 1.35 -0.01 4.82 1.04 -1.26 -5.00 118.95 121.38 2dkt s ARG 10 Ca 0.45 1.57 -0.06 0.00 -1.04 0.00 0.00 55.73 56.65 2dkt s ARG 10 Cb -0.19 -1.76 -0.02 0.00 -2.04 0.00 0.00 34.95 30.94 2dkt s ARG 10 CO 0.20 -2.39 -0.12 0.09 -0.04 0.00 0.00 175.30 173.03 2dkt n ASN 11 N -3.86 1.29 -4.63 -2.89 4.13 -1.26 -4.99 115.26 103.05 2dkt n ASN 11 Ca 0.12 0.19 -0.40 0.00 1.68 0.00 0.00 54.58 56.18 2dkt n ASN 11 Cb 0.52 -0.46 -0.08 0.00 -1.54 0.00 0.00 39.78 38.22 2dkt n ASN 11 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2dkt s LEU 12 N -7.10 4.07 0.16 3.41 0.20 -1.26 -5.03 118.68 113.13 2dkt s LEU 12 Ca -0.10 0.51 -0.25 0.00 0.69 0.00 0.00 54.13 54.98 2dkt s LEU 12 Cb 0.01 -2.62 0.06 0.00 -0.43 0.00 0.00 46.19 43.21 2dkt s LEU 12 CO 0.15 -0.24 0.87 0.00 -0.29 0.00 0.00 176.35 176.85 2dkt s ALA 13 N 2.08 -1.58 -1.54 5.97 0.00 -1.26 -4.97 121.76 120.46 2dkt s ALA 13 Ca 0.21 0.18 -0.14 0.00 0.00 0.00 0.00 51.96 52.21 2dkt s ALA 13 Cb -0.16 0.67 0.09 0.00 0.00 0.00 0.00 23.12 23.73 2dkt s ALA 13 CO 0.09 -0.97 0.94 1.04 0.00 0.00 0.00 175.76 176.86 2dkt n GLN 14 N -0.43 -5.19 -2.92 0.00 6.02 -1.26 -4.90 117.38 108.69 2dkt n GLN 14 Ca -0.07 0.57 -0.26 0.00 -0.01 0.00 0.00 57.00 57.23 2dkt n GLN 14 Cb 0.61 -5.42 -0.04 0.00 1.02 0.00 0.00 30.24 26.42 2dkt n GLN 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dkt n GLY 15 N -1.66 5.52 0.18 1.08 0.00 -1.26 -4.83 105.19 104.22 2dkt n GLY 15 Ca 0.03 -2.72 0.14 0.00 0.00 0.00 0.00 46.02 43.46 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 2.96 0.00 -2.00 1.61 0.13 -1.95 -3.27 132.00 129.48 2dkt h PRO 16 Ca 0.14 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2dkt h PRO 16 Cb 0.55 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 2dkt h PRO 16 CO 0.80 0.00 -0.15 0.54 -0.23 0.00 0.00 178.00 178.97 2dkt n ARG 17 N -2.51 1.37 -0.20 0.86 3.00 -1.26 -4.53 116.66 113.40 2dkt n ARG 17 Ca 0.02 -0.38 0.00 0.00 -0.01 0.00 0.00 57.85 57.48 2dkt n ARG 17 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.33 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 1.88 -0.07 3.97 -0.13 0.00 -0.59 -4.74 105.19 105.52 2dkt n GLY 18 Ca 0.16 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 0.95 0.00 0.43 0.00 5.08 -1.99 -0.32 114.58 118.74 2dkt h GLU 20 Ca -0.50 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 2dkt h GLU 20 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dkt h GLU 20 CO 0.59 0.00 -0.21 0.45 -1.00 0.00 0.00 179.01 178.84 2dkt h HIS 21 N 0.00 -0.53 -4.14 4.33 3.86 -2.01 -3.47 115.15 113.19 2dkt h HIS 21 Ca 0.35 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.41 2dkt h HIS 21 Cb 2.15 0.18 -0.17 0.00 1.06 0.00 0.00 27.41 30.63 2dkt h HIS 21 CO 0.00 -0.33 -0.69 0.71 0.86 0.00 0.00 177.93 178.48 2dkt s TYR 22 N -3.49 0.45 -0.71 2.45 2.02 -0.13 -5.09 117.35 112.85 2dkt s TYR 22 Ca -0.08 -0.88 -0.13 0.00 -0.37 0.00 0.00 57.07 55.60 2dkt s TYR 22 Cb 0.01 -0.33 0.18 0.00 -0.40 0.00 0.00 41.96 41.42 2dkt s TYR 22 CO 0.25 -0.31 0.64 -0.51 -1.57 0.00 0.00 175.55 174.06 2dkt s ASP 23 N -2.43 6.40 0.12 2.29 1.11 -1.26 -1.11 116.67 121.79 2dkt s ASP 23 Ca -0.00 -2.43 0.02 0.00 0.18 0.00 0.00 52.55 50.32 2dkt s ASP 23 Cb 0.02 -2.16 -0.04 0.00 1.07 0.00 0.00 42.92 41.80 2dkt s ASP 23 CO -0.07 -0.63 -0.07 0.00 1.18 0.00 0.00 175.17 175.58 2dkt s ARG 24 N 0.58 0.92 -0.25 8.23 1.70 -1.25 -2.45 118.95 126.42 2dkt s ARG 24 Ca 0.13 -1.39 0.09 0.00 -0.47 0.00 0.00 55.73 54.10 2dkt s ARG 24 Cb -0.17 -0.33 0.44 0.00 -0.57 0.00 0.00 34.95 34.32 2dkt s ARG 24 CO -0.05 -0.00 1.25 0.00 -1.08 0.00 0.00 175.30 175.42 2dkt n ALA 25 N -0.10 4.18 -3.58 7.88 0.00 -1.25 -1.53 120.51 126.11 2dkt n ALA 25 Ca -0.11 -3.44 -0.11 0.00 0.00 0.00 0.00 53.44 49.78 2dkt n ALA 25 Cb 0.61 -0.40 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 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 1.01 4.58 -0.20 0.00 1.02 0.24 -4.81 118.68 120.52 2dkt s LEU 27 Ca -0.06 1.64 -0.20 0.00 0.02 0.00 0.00 54.13 55.53 2dkt s LEU 27 Cb -0.06 -3.31 -0.03 0.00 0.02 0.00 0.00 46.19 42.82 2dkt s LEU 27 CO -0.09 0.18 0.61 -1.48 0.02 0.00 0.00 176.35 175.59 2dkt s LEU 28 N -1.01 4.14 0.54 1.79 0.05 -1.11 -0.70 118.68 122.38 2dkt s LEU 28 Ca 0.36 0.79 -0.22 0.00 0.05 0.00 0.00 54.13 55.12 2dkt s LEU 28 Cb -0.23 -2.85 -0.05 0.00 -2.05 0.00 0.00 46.19 41.01 2dkt s LEU 28 CO 0.26 -0.26 1.29 1.17 -0.55 0.00 0.00 176.35 178.27 2dkt n LYS 29 N 5.01 1.60 -3.71 1.48 3.00 -1.25 -3.55 118.16 120.73 2dkt n LYS 29 Ca -0.02 0.59 -0.38 0.00 -0.00 0.00 0.00 58.31 58.50 2dkt n LYS 29 Cb 0.50 -2.49 -0.11 0.00 0.00 0.00 0.00 35.03 32.93 2dkt n LYS 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkt s ALA 30 N -1.31 3.21 -2.00 3.14 0.00 0.26 -4.76 121.76 120.30 2dkt s ALA 30 Ca 0.71 -2.46 0.09 0.00 0.00 0.00 0.00 51.96 50.31 2dkt s ALA 30 Cb -0.43 -2.51 0.57 0.00 0.00 0.00 0.00 23.12 20.75 2dkt s ALA 30 CO 0.50 -1.78 1.01 -0.35 0.00 0.00 0.00 175.76 175.13 2dkt n PRO 31 N 4.70 0.49 -0.09 0.00 -0.04 -1.26 0.19 135.00 138.99 2dkt n PRO 31 Ca -0.05 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 2dkt n PRO 31 Cb 0.41 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 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 -5.33 -4.91 0.00 2.03 0.49 -4.99 116.55 103.68 2dkt n ASP 34 Ca 0.00 0.11 -0.21 0.00 0.52 0.00 0.00 54.79 55.21 2dkt n ASP 34 Cb 0.19 -4.40 -0.01 0.00 -0.72 0.00 0.00 41.12 36.17 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 -4.56 2.48 -0.06 -0.67 1.02 -1.15 -4.79 119.74 112.00 2dkt s LYS 35 Ca 0.00 -1.62 0.02 0.00 0.02 0.00 0.00 55.97 54.39 2dkt s LYS 35 Cb 0.00 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.94 2dkt s LYS 35 CO 0.00 -0.36 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.45 2dkt s LEU 36 N -4.24 1.58 0.03 3.17 1.43 -1.26 0.90 118.68 120.29 2dkt s LEU 36 Ca 0.48 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2dkt s LEU 36 Cb -0.04 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2dkt s LEU 36 CO 0.28 0.01 -0.06 -0.31 0.23 0.00 0.00 176.35 176.51 2dkt s TYR 37 N 0.74 0.52 0.05 0.29 1.51 -1.23 -4.98 117.35 114.25 2dkt s TYR 37 Ca -0.13 -0.44 -0.09 0.00 -1.01 0.00 0.00 57.07 55.39 2dkt s TYR 37 Cb -0.15 -0.32 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 2dkt s TYR 37 CO 0.03 -0.10 0.86 2.41 -1.11 0.00 0.00 175.55 177.64 2dkt n THR 38 N 1.73 -0.20 -4.25 -0.71 -1.04 -1.26 -2.73 114.28 105.82 2dkt n THR 38 Ca -0.21 1.33 -0.13 0.00 -2.04 0.00 0.00 64.05 62.99 2dkt n THR 38 Cb 0.55 -1.70 -0.04 0.00 -1.82 0.00 0.00 70.33 67.33 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 0.58 0.00 0.00 -0.00 -1.95 -2.96 114.38 110.05 2dkt h ARG 40 Ca -0.16 -0.42 -0.06 0.00 -0.00 0.00 0.00 59.98 59.34 2dkt h ARG 40 Cb 0.65 0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.68 2dkt h ARG 40 CO 0.25 1.04 -0.27 -0.07 -0.00 0.00 0.00 179.97 180.92 2dkt h LEU 41 N 0.42 0.00 -0.10 0.08 3.38 -1.97 -2.97 115.31 114.16 2dkt h LEU 41 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2dkt h LEU 41 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dkt h LEU 41 CO 0.12 0.27 -0.33 0.00 0.09 0.00 0.00 178.44 178.59 2dkt h HIS 43 N -0.03 -1.27 -0.80 0.00 -0.00 -1.36 0.13 115.15 111.82 2dkt h HIS 43 Ca -0.01 0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.51 2dkt h HIS 43 Cb 0.96 0.59 -0.06 0.00 -0.00 0.00 0.00 27.41 28.90 2dkt h HIS 43 CO 0.11 -0.37 0.52 0.22 -0.00 0.00 0.00 177.93 178.41 2dkt h ASP 44 N -0.32 0.67 -0.90 3.26 1.82 -1.67 0.41 116.42 119.70 2dkt h ASP 44 Ca 0.05 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2dkt h ASP 44 Cb 0.46 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 40.30 2dkt h ASP 44 CO -0.43 0.40 0.55 0.74 -1.61 0.00 0.00 179.24 178.89 2dkt h THR 45 N 0.74 1.25 -0.58 2.25 2.02 -0.71 -2.13 112.91 115.74 2dkt h THR 45 Ca 0.37 -0.53 -0.15 0.00 0.77 0.00 0.00 66.41 66.87 2dkt h THR 45 Cb 0.45 -0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.74 2dkt h THR 45 CO -0.14 0.26 0.15 0.59 0.37 0.00 0.00 175.52 176.74 2dkt n ASN 46 N -4.36 4.41 -3.74 4.18 3.02 0.23 -4.97 115.26 114.03 2dkt n ASN 46 Ca 0.10 -3.23 -0.12 0.00 -0.03 0.00 0.00 54.58 51.30 2dkt n ASN 46 Cb 0.06 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 38.48 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 -2.98 1.62 -0.02 3.52 0.41 0.01 -5.01 118.70 116.24 2dkt s GLU 47 Ca 0.51 -1.54 0.21 0.00 -0.41 0.00 0.00 54.97 53.73 2dkt s GLU 47 Cb 0.41 0.41 -0.29 0.00 -1.78 0.00 0.00 34.13 32.89 2dkt s GLU 47 CO 0.11 -0.65 0.58 -0.25 -0.49 0.00 0.00 175.26 174.56 2dkt n ASP 48 N -0.78 0.47 -4.70 -0.19 9.92 -1.26 -4.75 116.55 115.26 2dkt n ASP 48 Ca 0.00 -0.30 -0.23 0.00 -0.53 0.00 0.00 54.79 53.73 2dkt n ASP 48 Cb 0.63 1.65 -0.06 0.00 -0.64 0.00 0.00 41.12 42.70 2dkt n ASP 48 CO 0.00 0.00 0.00 -1.38 0.13 0.00 0.00 177.20 175.95 2dkt s HIS 49 N -3.28 2.81 0.08 1.24 -3.43 -1.26 -5.11 115.29 106.34 2dkt s HIS 49 Ca -0.03 -0.20 -0.10 0.00 -0.80 0.00 0.00 55.06 53.93 2dkt s HIS 49 Cb 0.14 -1.27 -0.06 0.00 -1.43 0.00 0.00 32.58 29.96 2dkt s HIS 49 CO 0.85 0.58 0.40 -0.65 -2.00 0.00 0.00 174.74 173.92 2dkt s GLN 50 N -3.73 3.76 0.17 -0.38 -0.21 -1.26 -4.25 119.66 113.75 2dkt s GLN 50 Ca 0.32 0.18 0.07 0.00 0.02 0.00 0.00 55.36 55.95 2dkt s GLN 50 Cb -0.07 -3.00 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 2dkt s GLN 50 CO 0.21 0.56 0.01 -1.17 -2.12 0.00 0.00 175.29 172.79 2dkt s LEU 51 N -1.89 3.38 0.02 2.90 0.20 -1.26 -5.03 118.68 117.00 2dkt s LEU 51 Ca 0.33 -0.35 -0.17 0.00 0.69 0.00 0.00 54.13 54.63 2dkt s LEU 51 Cb -0.14 -2.03 -0.06 0.00 -0.43 0.00 0.00 46.19 43.53 2dkt s LEU 51 CO 0.18 0.09 0.48 -1.81 -0.29 0.00 0.00 176.35 175.00 2dkt s ASP 52 N -2.91 6.91 0.00 3.68 1.01 -1.26 -4.97 116.67 119.12 2dkt s ASP 52 Ca 0.28 1.08 0.24 0.00 0.71 0.00 0.00 52.55 54.86 2dkt s ASP 52 Cb -0.10 -2.30 0.27 0.00 1.01 0.00 0.00 42.92 41.81 2dkt s ASP 52 CO 0.19 0.28 1.25 -2.11 0.21 0.00 0.00 175.17 175.00 2dkt n ARG 53 N 1.90 0.41 -0.11 8.23 1.85 -1.26 -4.20 116.66 123.47 2dkt n ARG 53 Ca -0.12 -0.29 -0.18 0.00 -1.00 0.00 0.00 57.85 56.26 2dkt n ARG 53 Cb 0.52 -1.49 -0.10 0.00 -1.05 0.00 0.00 32.46 30.33 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 -1.04 0.00 0.04 2.89 3.01 -1.26 -4.41 117.46 116.69 2dkt n PHE 54 Ca 0.07 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.45 2dkt n PHE 54 Cb 0.36 -0.86 -0.05 0.00 -0.01 0.00 0.00 39.48 38.92 2dkt n PHE 54 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2dkt h LYS 55 N -0.21 -0.35 -6.33 -1.08 1.79 -1.94 -3.42 116.57 105.04 2dkt h LYS 55 Ca -0.53 0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.33 2dkt h LYS 55 Cb 1.71 0.08 0.09 0.00 -1.58 0.00 0.00 32.23 32.54 2dkt h LYS 55 CO -0.15 -0.23 0.12 1.55 -1.08 0.00 0.00 179.45 179.65 2dkt n VAL 56 N -4.01 1.38 0.00 0.50 3.14 -1.26 -4.89 118.33 113.19 2dkt n VAL 56 Ca -0.04 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 2dkt n VAL 56 Cb 0.21 -0.76 0.00 0.00 -1.06 0.00 0.00 33.84 32.22 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 1.30 2.21 -1.79 1.45 0.00 -1.26 -4.95 118.16 115.12 2dkt n LYS 57 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.15 2dkt n LYS 57 Cb 0.27 -0.88 0.08 0.00 0.00 0.00 0.00 35.03 34.49 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 -1.77 2.21 -0.01 1.64 0.41 -1.26 -2.15 118.70 117.78 2dkt s GLU 58 Ca 0.00 0.35 -0.20 0.00 -0.41 0.00 0.00 54.97 54.71 2dkt s GLU 58 Cb 0.00 -1.96 0.04 0.00 -1.78 0.00 0.00 34.13 30.43 2dkt s GLU 58 CO 0.00 -1.47 0.43 0.14 -0.49 0.00 0.00 175.26 173.87 2dkt s VAL 59 N -3.39 0.04 -0.03 2.63 -7.23 -0.86 -3.86 120.40 107.70 2dkt s VAL 59 Ca 0.61 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 60.49 2dkt s VAL 59 Cb -0.12 -0.80 -0.01 0.00 0.56 0.00 0.00 36.38 36.00 2dkt s VAL 59 CO 0.51 -0.19 -0.23 -1.58 -0.31 0.00 0.00 175.10 173.30 2dkt s GLN 60 N -1.62 2.04 0.47 4.82 0.74 0.12 -2.53 119.66 123.70 2dkt s GLN 60 Ca -0.11 -0.82 -0.20 0.00 0.05 0.00 0.00 55.36 54.28 2dkt s GLN 60 Cb -0.03 -1.88 -0.09 0.00 1.10 0.00 0.00 33.01 32.12 2dkt s GLN 60 CO 0.04 0.44 1.01 0.00 -0.55 0.00 0.00 175.29 176.23 2dkt n ILE 62 N -0.91 0.00 -0.10 0.00 -6.64 -0.47 -3.04 119.36 108.20 2dkt n ILE 62 Ca 0.09 -0.26 -0.19 0.00 -1.77 0.00 0.00 62.75 60.62 2dkt n ILE 62 Cb 0.53 1.16 -0.08 0.00 -1.44 0.00 0.00 39.64 39.81 2dkt n ILE 62 CO 0.00 0.00 0.00 0.59 -1.77 0.00 0.00 176.55 175.37 2dkt n ASN 63 N -0.40 1.89 -0.63 7.28 3.02 -1.26 -4.56 115.26 120.58 2dkt n ASN 63 Ca 0.06 0.43 0.09 0.00 -0.03 0.00 0.00 54.58 55.13 2dkt n ASN 63 Cb 0.35 -0.88 0.22 0.00 -0.61 0.00 0.00 39.78 38.86 2dkt n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkt n GLU 65 N -0.74 -0.91 -4.12 0.00 1.02 -1.17 -4.87 120.64 109.86 2dkt n GLU 65 Ca 0.19 0.02 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 2dkt n GLU 65 Cb 0.79 -1.99 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 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 -5.72 3.14 0.35 3.49 2.47 -1.26 -4.85 119.74 117.36 2dkt s LYS 66 Ca 0.04 -0.38 -0.24 0.00 -1.56 0.00 0.00 55.97 53.83 2dkt s LYS 66 Cb -0.02 -2.92 -0.10 0.00 -1.46 0.00 0.00 37.83 33.32 2dkt s LYS 66 CO 0.59 0.69 0.93 -1.17 0.16 0.00 0.00 175.35 176.55 2dkt s LEU 67 N -1.36 4.21 0.13 5.43 2.96 -1.26 -2.08 118.68 126.71 2dkt s LEU 67 Ca 0.19 1.75 -0.24 0.00 -0.22 0.00 0.00 54.13 55.61 2dkt s LEU 67 Cb -0.12 -4.16 0.08 0.00 0.50 0.00 0.00 46.19 42.49 2dkt s LEU 67 CO 0.09 -0.16 1.10 0.00 -1.32 0.00 0.00 176.35 176.06 2dkt s GLN 68 N -2.43 1.07 0.55 1.98 -2.07 -1.05 -4.99 119.66 112.71 2dkt s GLN 68 Ca 0.54 -0.69 0.08 0.00 -1.82 0.00 0.00 55.36 53.47 2dkt s GLN 68 Cb -0.15 0.30 0.06 0.00 -1.09 0.00 0.00 33.01 32.13 2dkt s GLN 68 CO 0.20 -0.50 0.66 -3.38 -1.32 0.00 0.00 175.29 170.95 2dkt s HIS 69 N -2.12 1.64 -0.15 9.60 -3.43 -1.26 -2.02 115.29 117.53 2dkt s HIS 69 Ca 0.24 -0.72 -0.36 0.00 -0.80 0.00 0.00 55.06 53.42 2dkt s HIS 69 Cb -0.02 -2.15 -0.13 0.00 -1.43 0.00 0.00 32.58 28.85 2dkt s HIS 69 CO 0.04 -0.88 1.85 0.00 -2.00 0.00 0.00 174.74 173.75 2dkt n ALA 70 N -2.06 0.55 -3.43 -1.38 0.00 -0.91 -4.52 120.51 108.76 2dkt n ALA 70 Ca 0.10 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.84 2dkt n ALA 70 Cb 0.62 -2.42 0.01 0.00 0.00 0.00 0.00 19.45 17.66 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 6.30 0.56 -0.07 0.00 10.64 -1.26 -5.07 117.38 128.48 2dkt n GLN 71 Ca 0.24 -1.20 -0.08 0.00 -1.83 0.00 0.00 57.00 54.13 2dkt n GLN 71 Cb 0.24 1.44 -0.11 0.00 -0.86 0.00 0.00 30.24 30.95 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 -0.28 1.47 -4.27 2.61 7.27 -1.26 -4.94 117.38 117.98 2dkt n GLN 72 Ca -0.04 0.01 -0.18 0.00 0.07 0.00 0.00 57.00 56.87 2dkt n GLN 72 Cb 0.31 -1.36 -0.11 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.35 1.42 0.81 1.69 2.01 -1.26 0.18 115.64 118.14 2dkt s THR 73 Ca -0.10 -1.91 -0.11 0.00 0.31 0.00 0.00 61.69 59.88 2dkt s THR 73 Cb 0.05 -1.73 0.08 0.00 0.01 0.00 0.00 72.50 70.91 2dkt s THR 73 CO 0.55 -0.51 1.09 0.00 -0.69 0.00 0.00 174.62 175.06 2dkt n GLU 75 N -3.54 2.52 0.00 0.00 -0.58 -1.26 -3.25 120.64 114.53 2dkt n GLU 75 Ca 0.07 -1.89 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 2dkt n GLU 75 Cb 0.55 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2dkt n GLU 75 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2dkt n ASP 76 N 0.48 3.29 0.00 1.62 -0.08 -1.26 -4.83 116.55 115.78 2dkt n ASP 76 Ca 0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2dkt n ASP 76 Cb 0.39 0.32 0.00 0.00 2.34 0.00 0.00 41.12 44.18 2dkt n ASP 76 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dkt n SER 78 N -0.50 -3.20 -4.65 0.00 2.88 -1.20 -4.93 113.62 102.01 2dkt n SER 78 Ca 0.00 -0.81 -0.40 0.00 -1.33 0.00 0.00 58.87 56.33 2dkt n SER 78 Cb 0.02 -3.89 -0.06 0.00 -0.75 0.00 0.00 64.21 59.53 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 -3.47 5.06 -0.23 2.46 2.01 -1.26 -4.66 115.64 115.55 2dkt s THR 79 Ca 0.39 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 63.15 2dkt s THR 79 Cb -0.19 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 2dkt s THR 79 CO 0.83 0.13 2.23 -0.22 -0.69 0.00 0.00 174.62 176.90 2dkt s LEU 80 N 1.90 3.43 0.00 4.42 2.96 -1.26 -2.64 118.68 127.49 2dkt s LEU 80 Ca 0.25 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 56.01 2dkt s LEU 80 Cb -0.16 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2dkt s LEU 80 CO 0.10 -2.01 0.90 0.49 -1.32 0.00 0.00 176.35 174.51 2dkt n PHE 81 N 11.93 0.00 0.00 5.38 3.72 0.13 -4.52 117.46 134.09 2dkt n PHE 81 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 2dkt n PHE 81 Cb 0.45 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.40 4.08 0.41 1.37 0.00 -1.26 -3.80 105.19 106.40 2dkt n GLY 82 Ca 0.00 -0.70 0.23 0.00 0.00 0.00 0.00 46.02 45.55 2dkt n GLY 82 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dkt h GLU 83 N 0.00 0.38 -5.23 1.61 5.08 -1.86 -3.37 114.58 111.18 2dkt h GLU 83 Ca 0.00 -0.02 -0.65 0.00 -1.00 0.00 0.00 59.36 57.69 2dkt h GLU 83 Cb 0.00 -0.08 -0.25 0.00 0.50 0.00 0.00 28.75 28.91 2dkt h GLU 83 CO 0.00 0.25 -0.72 0.71 -1.00 0.00 0.00 179.01 178.25 2dkt s TYR 84 N -5.47 2.93 -0.27 4.33 1.51 -1.13 -4.96 117.35 114.29 2dkt s TYR 84 Ca -0.09 -0.58 0.02 0.00 -1.01 0.00 0.00 57.07 55.41 2dkt s TYR 84 Cb 0.25 -1.95 0.07 0.00 -0.11 0.00 0.00 41.96 40.22 2dkt s TYR 84 CO 0.80 -0.23 -0.03 1.52 -1.11 0.00 0.00 175.55 176.50 2dkt s TYR 85 N 0.63 2.83 -0.15 2.71 1.13 -1.26 -2.13 117.35 121.11 2dkt s TYR 85 Ca -0.04 -2.16 -0.26 0.00 -1.41 0.00 0.00 57.07 53.20 2dkt s TYR 85 Cb -0.15 -1.97 -0.02 0.00 -1.10 0.00 0.00 41.96 38.72 2dkt s TYR 85 CO 0.03 -0.85 0.84 0.00 -2.51 0.00 0.00 175.55 173.06 2dkt h SER 87 N 7.23 0.17 -0.45 0.00 4.64 -1.94 0.17 113.55 123.37 2dkt h SER 87 Ca -0.31 -0.28 -0.08 0.00 -0.47 0.00 0.00 61.79 60.65 2dkt h SER 87 Cb 1.14 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2dkt h SER 87 CO 0.83 1.24 -0.03 0.40 -0.87 0.00 0.00 176.83 178.40 2dkt h ILE 88 N 0.03 1.27 0.00 0.95 2.04 -1.94 -3.18 117.51 116.67 2dkt h ILE 88 Ca -0.25 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2dkt h ILE 88 Cb 1.98 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 2dkt h ILE 88 CO 0.11 0.38 -1.13 0.00 0.00 0.00 0.00 178.15 177.51 2dkt n HIS 90 N -1.61 -0.66 -3.99 0.00 8.25 0.55 -4.31 115.22 113.45 2dkt n HIS 90 Ca 0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 2dkt n HIS 90 Cb 0.35 -3.47 -0.04 0.00 1.12 0.00 0.00 29.99 27.96 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 -4.96 4.16 -0.20 2.41 0.20 -0.93 -4.90 118.68 114.47 2dkt s LEU 91 Ca 0.00 0.06 -0.03 0.00 0.69 0.00 0.00 54.13 54.86 2dkt s LEU 91 Cb 0.00 -2.74 0.06 0.00 -0.43 0.00 0.00 46.19 43.08 2dkt s LEU 91 CO 0.00 0.05 0.03 -0.36 -0.29 0.00 0.00 176.35 175.78 2dkt s PHE 92 N -1.76 1.10 -0.04 5.38 0.08 -1.26 -0.14 117.98 121.34 2dkt s PHE 92 Ca 0.33 -0.91 0.02 0.00 0.12 0.00 0.00 56.93 56.49 2dkt s PHE 92 Cb -0.11 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2dkt s PHE 92 CO 0.27 -0.62 -0.10 0.34 -0.10 0.00 0.00 175.22 175.01 2dkt s ASP 93 N 1.83 1.41 0.91 1.36 -1.08 -0.91 -3.96 116.67 116.23 2dkt s ASP 93 Ca -0.01 -0.22 -0.10 0.00 -0.52 0.00 0.00 52.55 51.69 2dkt s ASP 93 Cb -0.17 -0.53 0.16 0.00 -1.46 0.00 0.00 42.92 40.91 2dkt s ASP 93 CO -0.08 0.04 0.35 2.29 0.52 0.00 0.00 175.17 178.29 2dkt n LYS 94 N 3.60 -1.31 0.00 4.34 2.85 -1.03 -2.82 118.16 123.79 2dkt n LYS 94 Ca -0.21 -0.60 0.00 0.00 -1.05 0.00 0.00 58.31 56.45 2dkt n LYS 94 Cb 0.53 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 2dkt n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2dkt n ASP 95 N -1.67 0.00 -1.83 -5.58 2.03 -1.26 -4.58 116.55 103.66 2dkt n ASP 95 Ca 0.06 0.75 -0.01 0.00 0.52 0.00 0.00 54.79 56.11 2dkt n ASP 95 Cb 0.25 -0.25 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.78 -2.08 -4.20 -0.67 5.02 -1.26 -1.27 118.16 111.92 2dkt n LYS 96 Ca 0.00 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 2dkt n LYS 96 Cb 0.00 -4.33 -0.04 0.00 -0.02 0.00 0.00 35.03 30.64 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 -1.86 -0.56 -4.34 1.97 0.00 -1.26 -4.86 116.66 105.75 2dkt n ARG 97 Ca -0.01 0.07 -0.33 0.00 -0.00 0.00 0.00 57.85 57.58 2dkt n ARG 97 Cb 0.29 -2.96 -0.09 0.00 0.00 0.00 0.00 32.46 29.70 2dkt n ARG 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.63 176.49 2dkt s GLN 98 N -7.42 2.76 0.24 -0.14 0.74 -0.40 -3.38 119.66 112.07 2dkt s GLN 98 Ca 0.25 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 55.12 2dkt s GLN 98 Cb -0.14 -2.65 -0.05 0.00 1.10 0.00 0.00 33.01 31.27 2dkt s GLN 98 CO 0.98 0.63 -0.10 1.52 -0.55 0.00 0.00 175.29 177.77 2dkt s TYR 99 N -1.04 1.84 -0.06 1.67 -0.85 0.03 -4.92 117.35 114.02 2dkt s TYR 99 Ca 0.18 -0.64 0.06 0.00 -0.52 0.00 0.00 57.07 56.15 2dkt s TYR 99 Cb -0.11 -0.96 -0.01 0.00 0.38 0.00 0.00 41.96 41.26 2dkt s TYR 99 CO 0.08 0.31 -0.24 -1.58 -1.52 0.00 0.00 175.55 172.61 2dkt s HIS 100 N -3.00 2.46 -0.21 -3.49 5.65 -1.26 -0.01 115.29 115.43 2dkt s HIS 100 Ca 0.26 -0.70 -0.09 0.00 0.25 0.00 0.00 55.06 54.79 2dkt s HIS 100 Cb 0.02 -1.61 -0.04 0.00 -1.18 0.00 0.00 32.58 29.76 2dkt s HIS 100 CO 0.10 -0.20 0.10 0.00 -0.65 0.00 0.00 174.74 174.09 2dkt h GLU 102 N 7.03 0.58 -0.46 0.00 5.08 -1.95 0.52 114.58 125.38 2dkt h GLU 102 Ca -0.38 -0.38 0.13 0.00 -1.00 0.00 0.00 59.36 57.73 2dkt h GLU 102 Cb 1.17 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2dkt h GLU 102 CO 0.69 0.99 0.41 0.77 -1.00 0.00 0.00 179.01 180.88 2dkt h SER 103 N 0.25 0.00 -0.04 1.42 0.02 -1.95 0.27 113.55 113.51 2dkt h SER 103 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dkt h SER 103 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2dkt h SER 103 CO 0.08 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.77 2dkt n GLY 105 N 0.65 0.20 3.34 0.00 0.00 0.95 -4.85 105.19 105.47 2dkt n GLY 105 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.48 1.13 0.26 -0.61 -5.25 -1.05 -4.60 121.20 109.61 2dkt s ILE 106 Ca 0.00 -2.05 -0.10 0.00 -0.99 0.00 0.00 60.65 57.51 2dkt s ILE 106 Cb 0.00 -2.32 -0.07 0.00 2.95 0.00 0.00 42.46 43.02 2dkt s ILE 106 CO 0.00 -0.35 0.60 0.00 -1.79 0.00 0.00 174.94 173.40 2dkt s ARG 108 N -2.97 0.84 -0.08 0.00 0.52 0.98 -4.90 118.95 113.34 2dkt s ARG 108 Ca 0.49 -0.41 -0.19 0.00 -0.52 0.00 0.00 55.73 55.10 2dkt s ARG 108 Cb -0.11 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.69 2dkt s ARG 108 CO 0.22 -0.27 0.52 0.42 0.02 0.00 0.00 175.30 176.21 2dkt s ILE 109 N -2.39 5.11 0.00 1.52 -1.09 -1.26 -0.79 121.20 122.30 2dkt s ILE 109 Ca -0.06 1.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 2dkt s ILE 109 Cb -0.01 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2dkt s ILE 109 CO -0.02 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 2dkt n GLY 110 N 3.01 -0.17 3.65 6.18 0.00 -1.22 -4.81 105.19 111.84 2dkt n GLY 110 Ca -0.07 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 4.13 0.25 1.61 0.04 -1.26 -5.01 135.00 134.76 2dkt s PRO 111 Ca 0.00 1.95 0.14 0.00 0.04 0.00 0.00 61.00 63.13 2dkt s PRO 111 Cb 0.00 -3.93 0.90 0.00 0.04 0.00 0.00 34.50 31.50 2dkt s PRO 111 CO 0.00 -0.89 1.06 1.17 0.04 0.00 0.00 177.00 178.38 2dkt n LYS 112 N 7.08 -0.04 0.01 4.56 3.00 -1.26 0.12 118.16 131.64 2dkt n LYS 112 Ca 0.17 0.93 -0.11 0.00 -0.00 0.00 0.00 58.31 59.30 2dkt n LYS 112 Cb 0.44 -1.66 -0.04 0.00 0.00 0.00 0.00 35.03 33.76 2dkt n LYS 112 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2dkt h GLU 113 N 0.00 -0.38 -1.54 1.64 4.39 -2.00 -0.59 114.58 116.09 2dkt h GLU 113 Ca 0.57 0.03 -0.16 0.00 0.34 0.00 0.00 59.36 60.13 2dkt h GLU 113 Cb 1.49 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 30.15 2dkt h GLU 113 CO -0.52 -0.25 0.21 -3.47 -1.16 0.00 0.00 179.01 173.82 2dkt n ASP 114 N -5.40 5.21 -3.89 1.42 2.03 0.33 -4.83 116.55 111.42 2dkt n ASP 114 Ca -0.03 -2.67 -0.09 0.00 0.52 0.00 0.00 54.79 52.52 2dkt n ASP 114 Cb 0.32 -0.95 -0.04 0.00 -0.72 0.00 0.00 41.12 39.73 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 2dkt s PHE 115 N -0.95 0.08 0.39 -0.67 0.40 -0.23 -3.44 117.98 113.56 2dkt s PHE 115 Ca 0.16 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 55.88 2dkt s PHE 115 Cb 0.13 0.37 0.06 0.00 0.51 0.00 0.00 43.02 44.09 2dkt s PHE 115 CO 0.01 -1.02 0.78 -0.59 0.70 0.00 0.00 175.22 175.09 2dkt s PHE 116 N -3.95 0.18 -0.06 0.36 -0.12 0.60 -4.69 117.98 110.30 2dkt s PHE 116 Ca 0.15 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.19 2dkt s PHE 116 Cb -0.02 0.81 0.02 0.00 -0.63 0.00 0.00 43.02 43.20 2dkt s PHE 116 CO 0.05 -1.58 -0.05 -1.58 -0.05 0.00 0.00 175.22 172.01 2dkt s HIS 117 N -2.24 0.94 -0.10 3.49 5.65 -1.26 0.06 115.29 121.83 2dkt s HIS 117 Ca 0.16 -0.32 -0.11 0.00 0.25 0.00 0.00 55.06 55.04 2dkt s HIS 117 Cb -0.05 -0.82 -0.05 0.00 -1.18 0.00 0.00 32.58 30.48 2dkt s HIS 117 CO 0.12 -0.27 0.26 0.00 -0.65 0.00 0.00 174.74 174.20 2dkt h LEU 119 N 5.52 -0.05 -0.84 0.00 3.38 -1.97 -0.96 115.31 120.40 2dkt h LEU 119 Ca -0.49 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.64 2dkt h LEU 119 Cb 1.20 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.81 2dkt h LEU 119 CO 0.65 0.00 -0.25 1.17 0.09 0.00 0.00 178.44 180.11 2dkt n LYS 120 N -2.35 -0.11 -0.00 1.13 3.00 -1.26 0.22 118.16 118.79 2dkt n LYS 120 Ca -0.01 1.31 -0.05 0.00 -0.00 0.00 0.00 58.31 59.56 2dkt n LYS 120 Cb 0.02 -1.95 0.16 0.00 0.00 0.00 0.00 35.03 33.26 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 -3.81 -3.90 0.00 5.15 0.60 -5.02 115.26 104.18 2dkt n ASN 122 Ca -0.01 -0.19 -0.08 0.00 -0.60 0.00 0.00 54.58 53.70 2dkt n ASN 122 Cb 0.44 -2.54 -0.03 0.00 -0.53 0.00 0.00 39.78 37.11 2dkt n ASN 122 CO 0.00 0.00 0.00 -1.48 1.40 0.00 0.00 177.26 177.18 2dkt s LEU 123 N -3.59 0.00 0.08 1.20 0.05 -1.08 -4.87 118.68 110.47 2dkt s LEU 123 Ca 0.20 -0.72 -0.22 0.00 0.05 0.00 0.00 54.13 53.44 2dkt s LEU 123 Cb -0.09 2.28 -0.07 0.00 -2.05 0.00 0.00 46.19 46.27 2dkt s LEU 123 CO 0.25 -1.23 0.66 0.00 -0.55 0.00 0.00 176.35 175.48 2dkt s LEU 125 N -0.77 2.08 0.46 0.00 1.43 0.11 -4.93 118.68 117.06 2dkt s LEU 125 Ca 0.33 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 2dkt s LEU 125 Cb -0.20 -0.03 -0.08 0.00 0.03 0.00 0.00 46.19 45.90 2dkt s LEU 125 CO 0.21 -0.07 1.08 0.28 0.23 0.00 0.00 176.35 178.08 2dkt s THR 126 N -0.46 3.54 0.36 5.49 -1.32 -1.26 -0.29 115.64 121.69 2dkt s THR 126 Ca -0.04 1.07 0.14 0.00 -1.21 0.00 0.00 61.69 61.65 2dkt s THR 126 Cb -0.03 -3.50 0.35 0.00 -1.51 0.00 0.00 72.50 67.81 2dkt s THR 126 CO -0.00 -0.09 1.75 0.71 -2.21 0.00 0.00 174.62 174.78 2dkt h THR 127 N 1.80 0.54 -0.72 5.08 1.35 -1.83 0.43 112.91 119.56 2dkt h THR 127 Ca -0.49 -0.17 0.21 0.00 -0.55 0.00 0.00 66.41 65.41 2dkt h THR 127 Cb 1.23 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2dkt h THR 127 CO 0.60 0.09 0.53 -1.13 -0.25 0.00 0.00 175.52 175.36 2dkt h ASN 128 N 0.50 0.00 -1.48 5.36 -1.24 -1.91 -0.29 115.58 116.51 2dkt h ASN 128 Ca 0.61 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 56.95 2dkt h ASN 128 Cb 1.35 0.00 -0.33 0.00 0.73 0.00 0.00 38.32 40.07 2dkt h ASN 128 CO -0.37 0.00 0.33 0.18 -1.29 0.00 0.00 177.43 176.28 2dkt n LEU 129 N -4.29 6.54 -2.30 0.34 4.77 0.15 -4.76 117.00 117.45 2dkt n LEU 129 Ca 0.14 -4.79 -0.27 0.00 -0.03 0.00 0.00 56.01 51.06 2dkt n LEU 129 Cb 0.80 -0.80 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2dkt n LEU 129 CO 0.38 1.86 1.42 -2.11 -1.33 0.00 0.00 177.39 177.60 2dkt n ARG 130 N -0.64 2.31 0.00 3.23 1.85 -0.12 -4.14 116.66 119.14 2dkt n ARG 130 Ca 0.51 -2.46 0.00 0.00 -1.00 0.00 0.00 57.85 54.90 2dkt n ARG 130 Cb 0.53 -2.01 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 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 0.06 0.51 0.32 2.89 0.00 -1.26 -4.98 105.19 102.73 2dkt n GLY 131 Ca 0.46 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 1.14 -6.88 1.61 3.11 -1.88 -3.43 116.57 110.24 2dkt h LYS 132 Ca 0.00 -0.26 -0.56 0.00 -2.81 0.00 0.00 60.65 57.03 2dkt h LYS 132 Cb 0.00 -0.16 0.12 0.00 -1.00 0.00 0.00 32.23 31.19 2dkt h LYS 132 CO 0.00 0.98 0.59 -2.39 -2.81 0.00 0.00 179.45 175.82 2dkt n HIS 133 N -4.26 2.41 -4.66 1.91 1.44 -1.26 -5.00 115.22 105.80 2dkt n HIS 133 Ca 0.06 0.48 -0.33 0.00 -2.01 0.00 0.00 57.72 55.91 2dkt n HIS 133 Cb 0.24 -2.42 -0.13 0.00 0.12 0.00 0.00 29.99 27.80 2dkt n HIS 133 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2dkt s LYS 134 N -2.23 3.33 -0.08 -1.40 2.20 -1.26 -5.04 119.74 115.26 2dkt s LYS 134 Ca 0.60 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 55.57 2dkt s LYS 134 Cb -0.49 -2.69 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2dkt s LYS 134 CO 0.59 0.31 -0.02 0.00 -0.36 0.00 0.00 175.35 175.86 2dkt s ILE 136 N -1.48 4.79 -0.24 0.00 2.07 -1.26 -4.81 121.20 120.28 2dkt s ILE 136 Ca -0.02 -0.47 -0.15 0.00 -1.41 0.00 0.00 60.65 58.60 2dkt s ILE 136 Cb 0.00 -3.23 -0.04 0.00 0.13 0.00 0.00 42.46 39.32 2dkt s ILE 136 CO 0.03 0.28 0.37 -1.83 -1.91 0.00 0.00 174.94 171.88 2dkt s GLU 137 N -1.96 4.09 0.44 3.50 -1.05 -1.26 -5.08 118.70 117.39 2dkt s GLU 137 Ca 0.26 0.10 0.07 0.00 -0.15 0.00 0.00 54.97 55.24 2dkt s GLU 137 Cb -0.12 -3.59 -0.01 0.00 -0.44 0.00 0.00 34.13 29.97 2dkt s GLU 137 CO 0.17 -0.15 0.38 -1.12 0.95 0.00 0.00 175.26 175.50 2dkt s SER 138 N 1.32 4.92 0.00 0.83 0.01 -1.26 -5.10 113.70 114.43 2dkt s SER 138 Ca 0.16 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.56 2dkt s SER 138 Cb -0.15 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2dkt s SER 138 CO 0.08 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2dkt n GLY 139 N -1.58 0.34 0.24 3.44 0.00 -1.26 -5.05 105.19 101.31 2dkt n GLY 139 Ca 0.03 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.69 -7.09 1.61 0.13 -2.08 -3.46 132.00 121.79 2dkt h PRO 140 Ca 0.00 -0.36 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 2dkt h PRO 140 Cb 0.00 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 30.82 2dkt h PRO 140 CO 0.00 0.97 -0.91 0.43 -0.23 0.00 0.00 178.00 178.26 2dkt n SER 141 N -4.03 -0.81 -4.59 1.44 7.64 -1.26 -4.75 113.62 107.26 2dkt n SER 141 Ca -0.02 -1.23 -0.41 0.00 1.01 0.00 0.00 58.87 58.21 2dkt n SER 141 Cb 0.53 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.14 2dkt n SER 141 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkt s SER 142 N -3.62 5.47 0.00 6.43 1.04 -1.26 -5.37 113.70 116.40 2dkt s SER 142 Ca 0.53 1.30 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2dkt s SER 142 Cb -0.31 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2dkt s SER 142 CO 1.00 -2.05 0.00 0.61 0.98 0.00 0.00 173.24 173.78