#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 -0.90 0.08 1.61 1.04 -1.26 -5.15 113.70 109.13 2dkt s SER 2 Ca 0.00 0.91 -0.24 0.00 0.48 0.00 0.00 55.95 57.10 2dkt s SER 2 Cb 0.00 1.91 -0.06 0.00 0.10 0.00 0.00 66.02 67.96 2dkt s SER 2 CO 0.00 -0.26 0.72 -0.44 0.98 0.00 0.00 173.24 174.25 2dkt s SER 3 N 2.78 7.22 0.08 7.02 0.01 -1.26 -5.05 113.70 124.51 2dkt s SER 3 Ca 0.11 1.46 -0.01 0.00 1.31 0.00 0.00 55.95 58.82 2dkt s SER 3 Cb -0.14 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2dkt s SER 3 CO -0.19 0.12 0.12 0.61 0.41 0.00 0.00 173.24 174.31 2dkt n GLY 4 N 2.05 2.85 3.92 3.44 0.00 -1.26 -5.17 105.19 111.01 2dkt n GLY 4 Ca -0.05 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.51 3.85 0.16 1.61 1.04 -1.26 -5.11 113.70 112.49 2dkt s SER 5 Ca 0.07 0.52 -0.04 0.00 0.48 0.00 0.00 55.95 56.98 2dkt s SER 5 Cb -0.00 -0.80 -0.03 0.00 0.10 0.00 0.00 66.02 65.29 2dkt s SER 5 CO 0.05 -2.29 0.17 -0.55 0.98 0.00 0.00 173.24 171.60 2dkt s SER 6 N -4.73 0.17 0.00 7.02 0.15 -1.26 -5.10 113.70 109.95 2dkt s SER 6 Ca 0.68 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 56.22 2dkt s SER 6 Cb -0.08 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 2dkt s SER 6 CO 0.51 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2dkt n GLY 7 N -0.18 -0.25 0.00 9.45 0.00 -1.26 -5.11 105.19 107.83 2dkt n GLY 7 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.45 3.64 -0.02 0.00 -1.26 -5.16 105.19 100.94 2dkt n GLY 8 Ca 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.03 1.61 0.11 -1.26 -5.18 120.40 115.64 2dkt s VAL 9 Ca 0.00 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 58.86 2dkt s VAL 9 Cb 0.00 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.89 2dkt s VAL 9 CO 0.00 0.00 0.42 0.00 -3.33 0.00 0.00 175.10 172.19 2dkt s ARG 10 N -0.23 0.77 0.00 1.54 3.03 -1.26 -5.10 118.95 117.71 2dkt s ARG 10 Ca 0.06 -0.02 -0.03 0.00 2.03 0.00 0.00 55.73 57.77 2dkt s ARG 10 Cb -0.04 0.35 -0.01 0.00 -1.03 0.00 0.00 34.95 34.22 2dkt s ARG 10 CO -0.10 -0.22 -0.06 -1.71 -1.13 0.00 0.00 175.30 172.08 2dkt n ASN 11 N 1.26 0.67 -3.57 -2.89 2.85 -1.26 -5.13 115.26 107.19 2dkt n ASN 11 Ca -0.20 0.10 -0.10 0.00 -0.11 0.00 0.00 54.58 54.27 2dkt n ASN 11 Cb 0.56 -0.32 -0.04 0.00 1.24 0.00 0.00 39.78 41.22 2dkt n ASN 11 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2dkt s LEU 12 N -6.11 -0.35 1.07 1.20 2.96 -1.26 -5.17 118.68 111.03 2dkt s LEU 12 Ca -0.05 0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 54.03 2dkt s LEU 12 Cb 0.01 1.85 0.16 0.00 0.50 0.00 0.00 46.19 48.70 2dkt s LEU 12 CO 0.07 -0.38 0.61 0.00 -1.32 0.00 0.00 176.35 175.33 2dkt n ALA 13 N 0.52 -2.89 -0.85 5.97 0.00 -1.26 -4.95 120.51 117.05 2dkt n ALA 13 Ca -0.09 -1.00 0.08 0.00 0.00 0.00 0.00 53.44 52.43 2dkt n ALA 13 Cb 0.59 -1.85 0.15 0.00 0.00 0.00 0.00 19.45 18.34 2dkt n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkt n GLN 14 N -3.33 2.02 -0.30 0.00 10.64 -1.26 -5.10 117.38 120.05 2dkt n GLN 14 Ca 0.04 -2.46 0.00 0.00 -1.83 0.00 0.00 57.00 52.75 2dkt n GLN 14 Cb 0.56 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 2dkt n GLN 14 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dkt n GLY 15 N -0.97 -3.07 0.16 2.61 0.00 -1.26 -4.85 105.19 97.81 2dkt n GLY 15 Ca 0.15 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 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 0.07 -0.30 -4.67 1.61 0.13 -1.96 -3.46 132.00 123.42 2dkt h PRO 16 Ca 0.00 0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.94 2dkt h PRO 16 Cb 0.16 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 31.23 2dkt h PRO 16 CO 0.00 0.07 -0.31 0.54 -0.23 0.00 0.00 178.00 178.07 2dkt n ARG 17 N -5.03 -1.48 -0.50 0.86 3.00 -1.26 -3.80 116.66 108.46 2dkt n ARG 17 Ca -0.09 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 2dkt n ARG 17 Cb 0.26 -2.91 0.00 0.00 0.00 0.00 0.00 32.46 29.81 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 -0.61 -3.74 3.97 -0.13 0.00 0.16 -4.67 105.19 100.17 2dkt n GLY 18 Ca 0.04 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 0.52 0.00 0.56 0.00 5.08 -1.96 -1.38 114.58 117.40 2dkt h GLU 20 Ca -0.45 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2dkt h GLU 20 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 2dkt h GLU 20 CO 0.54 0.00 -0.27 0.45 -1.00 0.00 0.00 179.01 178.73 2dkt h HIS 21 N 0.00 -0.69 -3.36 4.33 3.86 -2.03 -3.45 115.15 113.82 2dkt h HIS 21 Ca 0.62 -0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 59.54 2dkt h HIS 21 Cb 2.54 0.23 -0.33 0.00 1.06 0.00 0.00 27.41 30.91 2dkt h HIS 21 CO 0.00 -0.43 -0.66 0.71 0.86 0.00 0.00 177.93 178.41 2dkt s TYR 22 N -4.56 -0.08 -0.89 2.45 1.51 -0.52 -5.09 117.35 110.18 2dkt s TYR 22 Ca -0.11 0.34 -0.25 0.00 -1.01 0.00 0.00 57.07 56.04 2dkt s TYR 22 Cb 0.01 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.68 2dkt s TYR 22 CO 0.33 -0.14 1.76 -0.51 -1.11 0.00 0.00 175.55 175.88 2dkt s ASP 23 N 1.22 5.59 0.16 2.29 1.11 -1.25 -2.83 116.67 122.95 2dkt s ASP 23 Ca -0.08 -0.75 0.04 0.00 0.18 0.00 0.00 52.55 51.94 2dkt s ASP 23 Cb -0.12 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.26 2dkt s ASP 23 CO -0.05 -2.31 -0.09 0.00 1.18 0.00 0.00 175.17 173.90 2dkt s ARG 24 N 6.38 1.09 -0.22 8.23 1.70 -1.26 -2.21 118.95 132.66 2dkt s ARG 24 Ca 0.61 -1.47 0.11 0.00 -0.47 0.00 0.00 55.73 54.50 2dkt s ARG 24 Cb -0.06 -0.63 0.42 0.00 -0.57 0.00 0.00 34.95 34.12 2dkt s ARG 24 CO 0.00 0.06 1.22 0.00 -1.08 0.00 0.00 175.30 175.50 2dkt n ALA 25 N -0.22 3.81 -3.68 7.88 0.00 -1.26 0.37 120.51 127.41 2dkt n ALA 25 Ca -0.10 -3.36 -0.10 0.00 0.00 0.00 0.00 53.44 49.89 2dkt n ALA 25 Cb 0.61 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.61 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 1.54 4.48 -0.19 0.00 1.02 0.21 -4.82 118.68 120.92 2dkt s LEU 27 Ca -0.09 1.47 -0.18 0.00 0.02 0.00 0.00 54.13 55.35 2dkt s LEU 27 Cb -0.08 -3.33 -0.03 0.00 0.02 0.00 0.00 46.19 42.76 2dkt s LEU 27 CO -0.14 0.15 0.49 -1.48 0.02 0.00 0.00 176.35 175.39 2dkt s LEU 28 N -1.49 4.16 0.62 1.79 0.05 -1.20 -0.18 118.68 122.44 2dkt s LEU 28 Ca 0.37 0.66 -0.19 0.00 0.05 0.00 0.00 54.13 55.02 2dkt s LEU 28 Cb -0.20 -2.67 -0.02 0.00 -2.05 0.00 0.00 46.19 41.25 2dkt s LEU 28 CO 0.23 -0.14 1.31 -0.75 -0.55 0.00 0.00 176.35 176.44 2dkt s LYS 29 N 1.45 2.73 -0.39 1.48 2.47 -1.26 -3.67 119.74 122.55 2dkt s LYS 29 Ca 0.23 2.09 -0.06 0.00 -1.56 0.00 0.00 55.97 56.68 2dkt s LYS 29 Cb -0.15 -1.95 0.08 0.00 -1.46 0.00 0.00 37.83 34.35 2dkt s LYS 29 CO 0.09 -1.47 0.19 0.00 0.16 0.00 0.00 175.35 174.33 2dkt s ALA 30 N -1.38 3.16 -2.00 3.13 0.00 0.23 -4.84 121.76 120.05 2dkt s ALA 30 Ca 0.80 -2.21 0.09 0.00 0.00 0.00 0.00 51.96 50.63 2dkt s ALA 30 Cb -0.38 -2.44 0.52 0.00 0.00 0.00 0.00 23.12 20.82 2dkt s ALA 30 CO 0.41 -1.63 0.96 -0.35 0.00 0.00 0.00 175.76 175.15 2dkt n PRO 31 N 4.75 0.49 -0.13 0.00 -0.04 -1.26 0.19 135.00 139.00 2dkt n PRO 31 Ca -0.08 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 2dkt n PRO 31 Cb 0.42 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.34 -5.09 -4.82 0.00 2.03 0.49 -4.97 116.55 103.85 2dkt n ASP 34 Ca 0.00 -0.58 -0.29 0.00 0.52 0.00 0.00 54.79 54.44 2dkt n ASP 34 Cb 0.23 -4.08 -0.05 0.00 -0.72 0.00 0.00 41.12 36.50 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 -6.30 2.22 -0.06 -0.67 1.02 -1.17 -4.82 119.74 109.97 2dkt s LYS 35 Ca 0.54 -2.18 0.01 0.00 0.02 0.00 0.00 55.97 54.36 2dkt s LYS 35 Cb -0.26 -1.82 0.02 0.00 -0.52 0.00 0.00 37.83 35.25 2dkt s LYS 35 CO 0.67 -0.44 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.08 2dkt s LEU 36 N -4.05 1.37 0.02 3.17 1.43 -1.26 0.78 118.68 120.14 2dkt s LEU 36 Ca 0.21 -0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2dkt s LEU 36 Cb 0.00 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2dkt s LEU 36 CO 0.13 -0.04 -0.07 -0.31 0.23 0.00 0.00 176.35 176.29 2dkt s TYR 37 N 0.94 0.62 0.05 0.29 1.51 -1.24 -4.99 117.35 114.53 2dkt s TYR 37 Ca -0.10 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 55.59 2dkt s TYR 37 Cb -0.15 -0.38 -0.02 0.00 -0.11 0.00 0.00 41.96 41.30 2dkt s TYR 37 CO 0.00 -0.04 0.59 2.41 -1.11 0.00 0.00 175.55 177.41 2dkt n THR 38 N 2.28 -0.19 -4.19 -0.71 -1.04 -1.26 -3.24 114.28 105.92 2dkt n THR 38 Ca -0.17 0.92 -0.10 0.00 -2.04 0.00 0.00 64.05 62.65 2dkt n THR 38 Cb 0.56 -1.16 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 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 0.79 0.68 0.00 -0.00 -1.94 -3.19 114.38 110.72 2dkt h ARG 40 Ca -0.13 -0.24 -0.03 0.00 -0.00 0.00 0.00 59.98 59.58 2dkt h ARG 40 Cb 0.54 -0.08 0.01 0.00 -0.00 0.00 0.00 29.97 30.44 2dkt h ARG 40 CO 0.20 0.83 -0.33 -0.07 -0.00 0.00 0.00 179.97 180.60 2dkt h LEU 41 N 0.72 -0.78 -0.84 0.08 3.38 -1.95 -3.14 115.31 112.78 2dkt h LEU 41 Ca 0.13 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.35 2dkt h LEU 41 Cb 0.53 0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 2dkt h LEU 41 CO 0.03 -0.41 0.06 0.00 0.09 0.00 0.00 178.44 178.20 2dkt h HIS 43 N 0.00 -0.96 -0.80 0.00 -0.00 -1.53 0.23 115.15 112.09 2dkt h HIS 43 Ca 0.53 0.04 0.12 0.00 -0.00 0.00 0.00 60.37 61.06 2dkt h HIS 43 Cb 1.12 0.43 -0.06 0.00 -0.00 0.00 0.00 27.41 28.91 2dkt h HIS 43 CO -0.39 -0.31 0.53 0.22 -0.00 0.00 0.00 177.93 177.97 2dkt h ASP 44 N -0.32 0.58 -0.64 3.26 3.58 -0.82 0.51 116.42 122.57 2dkt h ASP 44 Ca 0.02 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2dkt h ASP 44 Cb 0.39 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 2dkt h ASP 44 CO -0.28 0.32 0.25 0.74 -2.88 0.00 0.00 179.24 177.40 2dkt h THR 45 N 0.63 1.24 -0.60 2.25 2.02 -0.03 -2.43 112.91 115.98 2dkt h THR 45 Ca 0.39 -0.76 -0.17 0.00 0.77 0.00 0.00 66.41 66.64 2dkt h THR 45 Cb 0.62 0.46 -0.10 0.00 -1.74 0.00 0.00 68.15 67.38 2dkt h THR 45 CO -0.15 0.30 0.17 0.59 0.37 0.00 0.00 175.52 176.81 2dkt n ASN 46 N -4.29 4.39 -3.46 4.18 3.02 0.64 -4.97 115.26 114.77 2dkt n ASN 46 Ca 0.06 -3.25 -0.12 0.00 -0.03 0.00 0.00 54.58 51.23 2dkt n ASN 46 Cb 0.19 -0.70 -0.04 0.00 -0.61 0.00 0.00 39.78 38.62 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 -3.00 1.82 -0.07 3.52 0.41 0.00 -5.00 118.70 116.39 2dkt s GLU 47 Ca 0.52 -1.58 0.16 0.00 -0.41 0.00 0.00 54.97 53.66 2dkt s GLU 47 Cb 0.42 0.47 -0.25 0.00 -1.78 0.00 0.00 34.13 32.99 2dkt s GLU 47 CO 0.11 -0.76 0.27 -0.25 -0.49 0.00 0.00 175.26 174.14 2dkt n ASP 48 N -1.08 1.05 -4.93 -0.19 8.00 -1.26 -4.76 116.55 113.38 2dkt n ASP 48 Ca -0.01 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.25 2dkt n ASP 48 Cb 0.62 1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 43.19 2dkt n ASP 48 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2dkt s HIS 49 N -2.94 3.42 0.12 1.24 -3.43 -1.26 -5.10 115.29 107.34 2dkt s HIS 49 Ca -0.07 0.05 -0.17 0.00 -0.80 0.00 0.00 55.06 54.07 2dkt s HIS 49 Cb 0.09 -1.61 -0.07 0.00 -1.43 0.00 0.00 32.58 29.56 2dkt s HIS 49 CO 0.70 0.50 0.58 -1.14 -2.00 0.00 0.00 174.74 173.37 2dkt s GLN 50 N -3.46 4.11 0.03 -0.38 -0.44 -1.26 -4.39 119.66 113.87 2dkt s GLN 50 Ca 0.34 0.64 0.03 0.00 -2.50 0.00 0.00 55.36 53.87 2dkt s GLN 50 Cb -0.10 -3.06 -0.04 0.00 -1.64 0.00 0.00 33.01 28.17 2dkt s GLN 50 CO 0.28 0.54 0.00 -1.17 0.50 0.00 0.00 175.29 175.44 2dkt s LEU 51 N -1.58 3.50 0.38 3.68 0.20 -1.26 -5.04 118.68 118.56 2dkt s LEU 51 Ca 0.34 -0.07 -0.15 0.00 0.69 0.00 0.00 54.13 54.94 2dkt s LEU 51 Cb -0.17 -2.10 -0.09 0.00 -0.43 0.00 0.00 46.19 43.40 2dkt s LEU 51 CO 0.19 0.24 0.80 -1.81 -0.29 0.00 0.00 176.35 175.49 2dkt s ASP 52 N -1.85 6.74 -0.00 3.68 1.01 -1.26 -4.99 116.67 120.00 2dkt s ASP 52 Ca 0.22 1.35 0.11 0.00 0.71 0.00 0.00 52.55 54.94 2dkt s ASP 52 Cb -0.12 -2.40 -0.12 0.00 1.01 0.00 0.00 42.92 41.29 2dkt s ASP 52 CO 0.14 -0.31 0.47 -2.11 0.21 0.00 0.00 175.17 173.57 2dkt n ARG 53 N -0.72 3.27 -0.11 8.23 1.85 -1.26 -4.50 116.66 123.42 2dkt n ARG 53 Ca 0.04 -0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.74 2dkt n ARG 53 Cb 0.54 -1.03 -0.11 0.00 -1.05 0.00 0.00 32.46 30.80 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 -1.27 0.00 0.19 2.89 3.72 -1.26 -4.43 117.46 117.29 2dkt n PHE 54 Ca 0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.31 2dkt n PHE 54 Cb 0.18 -0.90 -0.06 0.00 -0.94 0.00 0.00 39.48 37.75 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 0.00 -0.59 -6.52 -1.08 1.79 -1.94 -3.43 116.57 104.80 2dkt h LYS 55 Ca -0.52 0.04 -0.60 0.00 -2.18 0.00 0.00 60.65 57.39 2dkt h LYS 55 Cb 1.86 0.13 0.10 0.00 -1.58 0.00 0.00 32.23 32.75 2dkt h LYS 55 CO -0.07 -0.39 0.30 1.55 -1.08 0.00 0.00 179.45 179.76 2dkt n VAL 56 N -4.14 1.64 0.00 0.50 3.14 -1.26 -4.90 118.33 113.30 2dkt n VAL 56 Ca -0.07 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 2dkt n VAL 56 Cb 0.27 -1.16 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 1.08 0.39 -1.47 1.45 4.81 -1.26 -4.93 118.16 118.23 2dkt n LYS 57 Ca 0.10 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.24 2dkt n LYS 57 Cb 0.31 -0.87 0.11 0.00 0.02 0.00 0.00 35.03 34.60 2dkt n LYS 57 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2dkt s GLU 58 N -1.75 1.68 0.05 1.64 2.02 -1.26 -2.24 118.70 118.85 2dkt s GLU 58 Ca 0.00 0.60 -0.19 0.00 0.02 0.00 0.00 54.97 55.40 2dkt s GLU 58 Cb 0.00 -1.88 0.04 0.00 0.10 0.00 0.00 34.13 32.39 2dkt s GLU 58 CO 0.00 -1.89 0.43 0.14 0.02 0.00 0.00 175.26 173.96 2dkt s VAL 59 N -3.13 0.05 0.00 2.63 -7.23 -0.84 -4.00 120.40 107.88 2dkt s VAL 59 Ca 0.62 -0.42 0.08 0.00 -1.81 0.00 0.00 61.98 60.45 2dkt s VAL 59 Cb -0.15 -0.98 -0.02 0.00 0.56 0.00 0.00 36.38 35.79 2dkt s VAL 59 CO 0.55 -0.23 -0.24 -1.58 -0.31 0.00 0.00 175.10 173.28 2dkt s GLN 60 N -2.60 2.06 0.44 4.82 0.74 0.75 -2.76 119.66 123.10 2dkt s GLN 60 Ca -0.04 -0.96 -0.21 0.00 0.05 0.00 0.00 55.36 54.20 2dkt s GLN 60 Cb -0.01 -2.07 -0.10 0.00 1.10 0.00 0.00 33.01 31.93 2dkt s GLN 60 CO -0.03 0.55 0.96 0.00 -0.55 0.00 0.00 175.29 176.22 2dkt n ILE 62 N -0.76 0.00 -0.09 0.00 -6.64 -0.47 -3.06 119.36 108.35 2dkt n ILE 62 Ca 0.07 -0.12 -0.14 0.00 -1.77 0.00 0.00 62.75 60.79 2dkt n ILE 62 Cb 0.54 1.00 -0.08 0.00 -1.44 0.00 0.00 39.64 39.66 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 0.04 0.00 -0.13 7.28 4.21 -1.94 -3.40 115.58 121.64 2dkt h ASN 63 Ca 0.00 -0.39 -0.01 0.00 1.21 0.00 0.00 56.30 57.10 2dkt h ASN 63 Cb 0.38 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 2dkt h ASN 63 CO 0.00 1.14 -0.03 0.00 -1.29 0.00 0.00 177.43 177.25 2dkt n GLU 65 N -1.01 -0.87 -3.65 0.00 1.02 -1.17 -4.86 120.64 110.10 2dkt n GLU 65 Ca 0.20 0.08 -0.35 0.00 -0.02 0.00 0.00 57.16 57.07 2dkt n GLU 65 Cb 0.78 -2.83 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 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 -5.45 3.70 0.34 3.49 2.47 -1.26 -4.83 119.74 118.21 2dkt s LYS 66 Ca 0.34 0.09 -0.21 0.00 -1.56 0.00 0.00 55.97 54.62 2dkt s LYS 66 Cb -0.20 -3.05 -0.10 0.00 -1.46 0.00 0.00 37.83 33.02 2dkt s LYS 66 CO 0.68 0.61 0.88 -1.17 0.16 0.00 0.00 175.35 176.50 2dkt s LEU 67 N -1.76 4.16 0.07 5.43 2.96 -1.26 -1.92 118.68 126.36 2dkt s LEU 67 Ca 0.30 1.63 -0.26 0.00 -0.22 0.00 0.00 54.13 55.57 2dkt s LEU 67 Cb -0.14 -4.13 0.09 0.00 0.50 0.00 0.00 46.19 42.51 2dkt s LEU 67 CO 0.17 -0.17 1.17 0.00 -1.32 0.00 0.00 176.35 176.20 2dkt s GLN 68 N -2.58 0.79 0.39 1.98 -2.07 -1.11 -4.98 119.66 112.08 2dkt s GLN 68 Ca 0.54 -0.50 0.05 0.00 -1.82 0.00 0.00 55.36 53.62 2dkt s GLN 68 Cb -0.14 0.23 0.05 0.00 -1.09 0.00 0.00 33.01 32.06 2dkt s GLN 68 CO 0.19 -0.37 0.40 -2.39 -1.32 0.00 0.00 175.29 171.79 2dkt n HIS 69 N -0.75 -1.57 -1.63 9.60 1.44 -1.26 -2.00 115.22 119.05 2dkt n HIS 69 Ca -0.01 -1.54 -0.50 0.00 -2.01 0.00 0.00 57.72 53.67 2dkt n HIS 69 Cb 0.60 -0.34 -0.05 0.00 0.12 0.00 0.00 29.99 30.31 2dkt n HIS 69 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2dkt n ALA 70 N -2.35 0.85 -3.59 1.59 0.00 -0.95 -4.45 120.51 111.61 2dkt n ALA 70 Ca -0.11 0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 2dkt n ALA 70 Cb 0.42 -2.51 0.01 0.00 0.00 0.00 0.00 19.45 17.37 2dkt n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dkt s GLN 71 N 4.70 2.17 -0.14 0.00 -2.07 -1.26 -5.06 119.66 117.99 2dkt s GLN 71 Ca 0.98 -1.52 0.16 0.00 -1.82 0.00 0.00 55.36 53.17 2dkt s GLN 71 Cb -0.75 0.58 -0.24 0.00 -1.09 0.00 0.00 33.01 31.52 2dkt s GLN 71 CO 0.52 -0.99 0.14 0.94 -1.32 0.00 0.00 175.29 174.57 2dkt n GLN 72 N -0.54 1.00 -4.21 9.60 7.27 -1.26 -4.93 117.38 124.30 2dkt n GLN 72 Ca -0.06 -0.04 -0.14 0.00 0.07 0.00 0.00 57.00 56.82 2dkt n GLN 72 Cb 0.60 -1.45 -0.10 0.00 2.41 0.00 0.00 30.24 31.69 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 -2.62 1.04 0.78 1.69 2.01 -1.26 -0.27 115.64 117.01 2dkt s THR 73 Ca -0.08 -1.86 -0.11 0.00 0.31 0.00 0.00 61.69 59.94 2dkt s THR 73 Cb 0.07 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 71.02 2dkt s THR 73 CO 0.74 -0.67 1.09 0.00 -0.69 0.00 0.00 174.62 175.09 2dkt n GLU 75 N -3.39 1.70 0.00 0.00 -0.58 -1.26 -3.22 120.64 113.88 2dkt n GLU 75 Ca 0.07 -1.65 0.00 0.00 -0.42 0.00 0.00 57.16 55.16 2dkt n GLU 75 Cb 0.56 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 30.15 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 0.69 3.65 0.00 1.62 -0.08 -1.26 -4.81 116.55 116.36 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 0.38 0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.04 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 -0.81 -4.57 -4.62 0.00 2.88 -1.20 -4.91 113.62 100.40 2dkt n SER 78 Ca 0.00 -0.75 -0.42 0.00 -1.33 0.00 0.00 58.87 56.37 2dkt n SER 78 Cb 0.00 -3.67 -0.05 0.00 -0.75 0.00 0.00 64.21 59.75 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 -3.25 4.78 -0.27 2.46 2.01 -1.26 -4.60 115.64 115.50 2dkt s THR 79 Ca 0.64 1.30 -0.32 0.00 0.31 0.00 0.00 61.69 63.62 2dkt s THR 79 Cb -0.33 -4.16 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 2dkt s THR 79 CO 0.79 -0.24 2.17 -0.11 -0.69 0.00 0.00 174.62 176.55 2dkt n LEU 80 N 6.22 2.70 -0.01 4.42 7.94 -1.26 -3.15 117.00 133.86 2dkt n LEU 80 Ca 0.05 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2dkt n LEU 80 Cb 0.48 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.04 2dkt n LEU 80 CO 0.50 -0.65 0.47 0.49 -1.11 0.00 0.00 177.39 177.10 2dkt n PHE 81 N 10.28 0.00 0.00 1.96 3.72 0.63 -4.63 117.46 129.42 2dkt n PHE 81 Ca 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.75 2dkt n PHE 81 Cb 0.32 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.45 3.73 0.37 1.37 0.00 -1.26 -4.08 105.19 105.77 2dkt n GLY 82 Ca 0.00 -0.62 0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 0.24 -5.08 1.61 4.39 -1.82 -3.35 114.58 110.57 2dkt h GLU 83 Ca 0.00 -0.01 -0.64 0.00 0.34 0.00 0.00 59.36 59.05 2dkt h GLU 83 Cb 0.00 -0.05 -0.21 0.00 -0.10 0.00 0.00 28.75 28.39 2dkt h GLU 83 CO 0.00 0.16 -0.61 0.71 -1.16 0.00 0.00 179.01 178.11 2dkt s TYR 84 N -5.56 3.12 -0.18 4.33 2.02 -0.96 -4.99 117.35 115.14 2dkt s TYR 84 Ca -0.09 -0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2dkt s TYR 84 Cb 0.30 -2.16 0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2dkt s TYR 84 CO 0.80 -0.18 -0.13 1.52 -1.57 0.00 0.00 175.55 175.98 2dkt s TYR 85 N 1.12 2.39 -0.06 2.71 1.13 -1.26 -2.42 117.35 120.97 2dkt s TYR 85 Ca 0.04 -1.47 -0.11 0.00 -1.41 0.00 0.00 57.07 54.12 2dkt s TYR 85 Cb -0.14 -1.67 -0.05 0.00 -1.10 0.00 0.00 41.96 39.00 2dkt s TYR 85 CO 0.03 -0.73 0.29 0.00 -2.51 0.00 0.00 175.55 172.63 2dkt n SER 87 N 1.97 1.04 0.16 0.00 3.41 -1.26 -2.51 113.62 116.42 2dkt n SER 87 Ca -0.16 0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 2dkt n SER 87 Cb 0.53 0.10 -0.07 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.01 0.60 0.00 -1.33 5.03 -1.95 -3.27 117.51 116.61 2dkt h ILE 88 Ca -0.48 -0.68 0.00 0.00 -0.12 0.00 0.00 64.86 63.58 2dkt h ILE 88 Cb 2.07 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 36.77 2dkt h ILE 88 CO 0.02 0.12 -0.39 0.00 -0.68 0.00 0.00 178.15 177.22 2dkt n HIS 90 N -2.63 -1.13 -4.05 0.00 8.25 -1.05 -4.44 115.22 110.18 2dkt n HIS 90 Ca 0.03 0.18 -0.27 0.00 -0.26 0.00 0.00 57.72 57.39 2dkt n HIS 90 Cb 0.50 -3.57 -0.05 0.00 1.12 0.00 0.00 29.99 27.98 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 -5.09 3.90 -0.12 2.41 0.20 -1.21 -4.92 118.68 113.85 2dkt s LEU 91 Ca 0.10 -0.04 -0.02 0.00 0.69 0.00 0.00 54.13 54.86 2dkt s LEU 91 Cb -0.05 -2.52 0.04 0.00 -0.43 0.00 0.00 46.19 43.24 2dkt s LEU 91 CO 0.13 0.10 0.02 -0.36 -0.29 0.00 0.00 176.35 175.95 2dkt s PHE 92 N -1.65 0.72 0.05 5.38 0.08 -1.26 -1.13 117.98 120.16 2dkt s PHE 92 Ca 0.31 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 57.02 2dkt s PHE 92 Cb -0.11 -0.86 -0.02 0.00 -0.57 0.00 0.00 43.02 41.46 2dkt s PHE 92 CO 0.24 -0.44 -0.17 0.16 -0.10 0.00 0.00 175.22 174.91 2dkt s ASP 93 N 1.96 1.98 1.45 1.36 -4.77 -1.01 -4.22 116.67 113.42 2dkt s ASP 93 Ca 0.03 -0.51 -0.23 0.00 -3.30 0.00 0.00 52.55 48.54 2dkt s ASP 93 Cb -0.14 -0.14 0.36 0.00 -1.09 0.00 0.00 42.92 41.91 2dkt s ASP 93 CO -0.06 0.07 0.81 2.29 0.70 0.00 0.00 175.17 178.97 2dkt n LYS 94 N 1.78 -4.70 -1.60 2.11 2.85 -0.94 -2.26 118.16 115.40 2dkt n LYS 94 Ca -0.18 -1.36 -0.21 0.00 -1.05 0.00 0.00 58.31 55.50 2dkt n LYS 94 Cb 0.54 -1.76 -0.06 0.00 -0.65 0.00 0.00 35.03 33.10 2dkt n LYS 94 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2dkt s ASP 95 N -3.04 4.14 -0.08 -5.58 2.15 -1.26 -4.54 116.67 108.46 2dkt s ASP 95 Ca 0.62 0.34 0.13 0.00 0.43 0.00 0.00 52.55 54.07 2dkt s ASP 95 Cb -0.11 -2.53 0.25 0.00 -0.30 0.00 0.00 42.92 40.23 2dkt s ASP 95 CO 0.52 -3.50 1.12 0.29 -0.17 0.00 0.00 175.17 173.43 2dkt n LYS 96 N 8.89 0.68 -4.12 4.34 5.02 -1.26 -5.01 118.16 126.70 2dkt n LYS 96 Ca 0.43 -2.11 -0.33 0.00 -2.02 0.00 0.00 58.31 54.28 2dkt n LYS 96 Cb 0.47 -0.91 -0.04 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.54 -1.36 -3.49 1.97 0.00 -1.26 -4.62 116.66 107.36 2dkt n ARG 97 Ca 0.10 0.19 -0.37 0.00 -0.00 0.00 0.00 57.85 57.76 2dkt n ARG 97 Cb 0.77 -3.60 -0.08 0.00 0.00 0.00 0.00 32.46 29.55 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 -7.09 4.14 -0.06 -0.14 0.74 -1.26 -2.85 119.66 113.15 2dkt s GLN 98 Ca 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.58 2dkt s GLN 98 Cb -0.08 -3.53 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2dkt s GLN 98 CO 0.96 0.01 0.05 1.52 -0.55 0.00 0.00 175.29 177.28 2dkt s TYR 99 N 1.17 3.27 -0.33 1.67 -0.85 0.16 -4.89 117.35 117.55 2dkt s TYR 99 Ca 0.15 0.25 -0.16 0.00 -0.52 0.00 0.00 57.07 56.78 2dkt s TYR 99 Cb -0.14 -1.79 -0.01 0.00 0.38 0.00 0.00 41.96 40.40 2dkt s TYR 99 CO 0.06 0.54 0.41 -1.58 -1.52 0.00 0.00 175.55 173.47 2dkt s HIS 100 N -1.03 3.21 -0.08 -3.49 5.65 -1.26 0.61 115.29 118.89 2dkt s HIS 100 Ca 0.17 0.11 -0.30 0.00 0.25 0.00 0.00 55.06 55.29 2dkt s HIS 100 Cb -0.12 -2.73 -0.02 0.00 -1.18 0.00 0.00 32.58 28.53 2dkt s HIS 100 CO 0.07 -0.43 1.01 0.00 -0.65 0.00 0.00 174.74 174.74 2dkt h GLU 102 N 7.04 0.34 -0.54 0.00 5.08 -1.95 0.12 114.58 124.68 2dkt h GLU 102 Ca -0.33 -0.26 0.16 0.00 -1.00 0.00 0.00 59.36 57.93 2dkt h GLU 102 Cb 1.16 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2dkt h GLU 102 CO 0.83 0.89 0.43 1.03 -1.00 0.00 0.00 179.01 181.19 2dkt h SER 103 N -0.13 0.00 -0.03 1.42 0.87 -1.95 0.27 113.55 113.99 2dkt h SER 103 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2dkt h SER 103 Cb 0.92 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2dkt h SER 103 CO 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 2dkt n GLY 105 N 0.81 0.05 3.38 0.00 0.00 0.94 -4.86 105.19 105.51 2dkt n GLY 105 Ca 0.09 0.00 -0.19 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 -1.71 0.88 0.33 -0.61 -5.25 -0.93 -4.73 121.20 109.18 2dkt s ILE 106 Ca 0.00 -2.00 -0.19 0.00 -0.99 0.00 0.00 60.65 57.47 2dkt s ILE 106 Cb 0.00 -2.68 -0.09 0.00 2.95 0.00 0.00 42.46 42.63 2dkt s ILE 106 CO 0.00 -0.03 0.81 0.00 -1.79 0.00 0.00 174.94 173.93 2dkt s ARG 108 N -2.70 0.36 -0.11 0.00 1.81 0.20 -4.82 118.95 113.68 2dkt s ARG 108 Ca 0.53 -0.51 -0.14 0.00 -1.72 0.00 0.00 55.73 53.89 2dkt s ARG 108 Cb -0.12 0.14 -0.05 0.00 -0.45 0.00 0.00 34.95 34.47 2dkt s ARG 108 CO 0.18 -0.07 0.32 0.42 -0.68 0.00 0.00 175.30 175.47 2dkt s ILE 109 N -1.38 5.25 0.00 1.52 -1.09 -1.26 0.37 121.20 124.61 2dkt s ILE 109 Ca -0.15 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 58.90 2dkt s ILE 109 Cb -0.09 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 2dkt s ILE 109 CO -0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 2dkt n GLY 110 N 2.81 1.38 3.69 6.18 0.00 -1.13 -4.76 105.19 113.35 2dkt n GLY 110 Ca -0.13 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 2.06 4.27 0.34 1.61 0.04 -1.26 -5.02 135.00 137.03 2dkt s PRO 111 Ca 0.00 2.03 0.20 0.00 0.04 0.00 0.00 61.00 63.27 2dkt s PRO 111 Cb 0.00 -3.57 1.22 0.00 0.04 0.00 0.00 34.50 32.19 2dkt s PRO 111 CO 0.00 -0.60 1.41 1.17 0.04 0.00 0.00 177.00 179.02 2dkt n LYS 112 N 5.38 -0.05 -0.21 4.56 4.81 -1.26 0.14 118.16 131.53 2dkt n LYS 112 Ca 0.14 1.22 -0.07 0.00 -0.87 0.00 0.00 58.31 58.73 2dkt n LYS 112 Cb 0.43 -2.22 -0.01 0.00 0.02 0.00 0.00 35.03 33.25 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 -0.19 -0.98 1.64 5.08 -1.99 0.61 114.58 118.74 2dkt h GLU 113 Ca 0.76 0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.97 2dkt h GLU 113 Cb 2.07 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 31.27 2dkt h GLU 113 CO -0.66 -0.13 0.21 -0.25 -1.00 0.00 0.00 179.01 177.18 2dkt n ASP 114 N -5.42 3.20 -4.08 1.42 8.00 0.12 -4.85 116.55 114.94 2dkt n ASP 114 Ca 0.03 -2.55 -0.10 0.00 0.71 0.00 0.00 54.79 52.88 2dkt n ASP 114 Cb 0.35 -0.61 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 2dkt n ASP 114 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dkt s PHE 115 N -1.23 0.69 0.25 1.24 0.40 0.21 -1.94 117.98 117.60 2dkt s PHE 115 Ca 0.20 -1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 55.33 2dkt s PHE 115 Cb 0.17 -0.14 0.06 0.00 0.51 0.00 0.00 43.02 43.62 2dkt s PHE 115 CO 0.04 -0.82 0.92 -0.59 0.70 0.00 0.00 175.22 175.47 2dkt s PHE 116 N -4.07 0.03 -0.07 0.36 -0.12 0.11 -4.63 117.98 109.60 2dkt s PHE 116 Ca 0.29 -0.51 0.01 0.00 -0.05 0.00 0.00 56.93 56.67 2dkt s PHE 116 Cb 0.03 0.74 0.02 0.00 -0.63 0.00 0.00 43.02 43.17 2dkt s PHE 116 CO 0.09 -1.14 -0.08 -1.58 -0.05 0.00 0.00 175.22 172.47 2dkt s HIS 117 N -2.56 1.14 -0.08 3.49 5.65 -1.26 -0.11 115.29 121.57 2dkt s HIS 117 Ca 0.17 -0.42 -0.14 0.00 0.25 0.00 0.00 55.06 54.92 2dkt s HIS 117 Cb -0.03 -0.93 -0.05 0.00 -1.18 0.00 0.00 32.58 30.39 2dkt s HIS 117 CO 0.07 -0.29 0.35 0.00 -0.65 0.00 0.00 174.74 174.22 2dkt h LEU 119 N 5.55 -0.19 -0.98 0.00 3.38 -1.97 -1.30 115.31 119.80 2dkt h LEU 119 Ca -0.48 0.01 0.15 0.00 0.09 0.00 0.00 57.88 57.65 2dkt h LEU 119 Cb 1.20 0.05 -0.16 0.00 0.09 0.00 0.00 40.66 41.84 2dkt h LEU 119 CO 0.67 0.00 -0.39 1.17 0.09 0.00 0.00 178.44 179.98 2dkt n LYS 120 N -3.38 -0.23 0.22 1.13 0.00 -1.26 0.20 118.16 114.84 2dkt n LYS 120 Ca -0.03 1.51 0.06 0.00 0.00 0.00 0.00 58.31 59.86 2dkt n LYS 120 Cb 0.09 -2.24 0.49 0.00 0.00 0.00 0.00 35.03 33.37 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 -3.94 -2.89 -2.58 0.00 3.02 0.54 -5.00 115.26 104.42 2dkt n ASN 122 Ca -0.02 -0.58 -0.04 0.00 -0.03 0.00 0.00 54.58 53.91 2dkt n ASN 122 Cb 0.34 -4.73 0.02 0.00 -0.61 0.00 0.00 39.78 34.80 2dkt n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dkt n LEU 123 N -3.69 0.00 -4.77 3.41 -0.00 -1.04 -4.97 117.00 105.94 2dkt n LEU 123 Ca -0.22 -1.50 -0.35 0.00 -0.00 0.00 0.00 56.01 53.94 2dkt n LEU 123 Cb 0.65 2.49 -0.08 0.00 -0.00 0.00 0.00 43.42 46.48 2dkt n LEU 123 CO 0.55 -0.50 -0.25 0.00 -0.00 0.00 0.00 177.39 177.19 2dkt s LEU 125 N -1.10 1.94 0.24 0.00 1.43 0.85 -4.95 118.68 117.10 2dkt s LEU 125 Ca 0.16 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 2dkt s LEU 125 Cb -0.12 0.53 -0.09 0.00 0.03 0.00 0.00 46.19 46.55 2dkt s LEU 125 CO 0.05 -0.55 0.76 0.28 0.23 0.00 0.00 176.35 177.13 2dkt s THR 126 N -3.00 4.51 0.33 5.49 -1.32 -1.26 0.07 115.64 120.46 2dkt s THR 126 Ca -0.02 1.36 0.13 0.00 -1.21 0.00 0.00 61.69 61.95 2dkt s THR 126 Cb 0.01 -3.88 0.32 0.00 -1.51 0.00 0.00 72.50 67.45 2dkt s THR 126 CO -0.06 0.19 1.67 0.71 -2.21 0.00 0.00 174.62 174.91 2dkt h THR 127 N 2.70 0.33 -0.87 5.08 1.35 -1.65 0.24 112.91 120.10 2dkt h THR 127 Ca -0.48 -0.12 0.23 0.00 -0.55 0.00 0.00 66.41 65.49 2dkt h THR 127 Cb 1.19 -0.05 -0.13 0.00 -1.73 0.00 0.00 68.15 67.43 2dkt h THR 127 CO 0.65 0.06 0.27 -1.13 -0.25 0.00 0.00 175.52 175.13 2dkt h ASN 128 N 0.35 0.08 -0.79 5.36 -1.24 -1.93 0.29 115.58 117.70 2dkt h ASN 128 Ca 0.70 0.18 -0.45 0.00 0.71 0.00 0.00 56.30 57.45 2dkt h ASN 128 Cb 1.56 0.23 -0.18 0.00 0.73 0.00 0.00 38.32 40.65 2dkt h ASN 128 CO -0.59 -0.11 0.52 0.18 -1.29 0.00 0.00 177.43 176.14 2dkt n LEU 129 N -5.18 6.74 -0.30 0.34 4.77 0.85 -4.60 117.00 119.62 2dkt n LEU 129 Ca 0.21 -3.74 0.02 0.00 -0.03 0.00 0.00 56.01 52.47 2dkt n LEU 129 Cb 0.66 -1.09 0.15 0.00 -2.33 0.00 0.00 43.42 40.82 2dkt n LEU 129 CO 0.08 1.42 1.17 -0.09 -1.33 0.00 0.00 177.39 178.65 2dkt h ARG 130 N 2.02 0.86 0.00 3.23 2.43 -0.50 -3.30 114.38 119.12 2dkt h ARG 130 Ca 0.38 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2dkt h ARG 130 Cb 0.80 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2dkt h ARG 130 CO 0.97 0.57 -1.17 0.41 -1.51 0.00 0.00 179.97 179.24 2dkt n GLY 131 N -1.32 -0.05 0.29 2.80 0.00 -1.26 -4.75 105.19 100.90 2dkt n GLY 131 Ca 0.13 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.14 2dkt n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkt n LYS 132 N -2.54 -0.14 -1.77 1.61 3.00 -1.26 -4.27 118.16 112.79 2dkt n LYS 132 Ca -0.05 1.19 -0.42 0.00 -0.00 0.00 0.00 58.31 59.03 2dkt n LYS 132 Cb 0.56 -1.77 -0.02 0.00 0.00 0.00 0.00 35.03 33.79 2dkt n LYS 132 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2dkt s HIS 133 N -5.81 2.86 -0.22 5.64 -3.43 -1.24 -4.99 115.29 108.10 2dkt s HIS 133 Ca -0.11 0.53 -0.04 0.00 -0.80 0.00 0.00 55.06 54.63 2dkt s HIS 133 Cb 0.17 -4.10 -0.02 0.00 -1.43 0.00 0.00 32.58 27.21 2dkt s HIS 133 CO 0.57 -3.97 -0.02 0.21 -2.00 0.00 0.00 174.74 169.53 2dkt s LYS 134 N 0.56 3.47 -0.00 -0.38 2.20 -1.26 -5.02 119.74 119.31 2dkt s LYS 134 Ca 0.70 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.73 2dkt s LYS 134 Cb -0.48 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 2dkt s LYS 134 CO 0.38 -0.13 0.42 0.00 -0.36 0.00 0.00 175.35 175.66 2dkt s ILE 136 N -1.85 2.68 0.04 0.00 1.10 -1.26 -4.90 121.20 117.01 2dkt s ILE 136 Ca -0.00 0.66 0.07 0.00 -0.51 0.00 0.00 60.65 60.87 2dkt s ILE 136 Cb 0.00 -3.41 -0.02 0.00 0.15 0.00 0.00 42.46 39.17 2dkt s ILE 136 CO 0.00 0.14 -0.20 -1.61 -2.11 0.00 0.00 174.94 171.16 2dkt s GLU 137 N -1.92 1.35 -0.12 3.50 2.02 -1.26 -5.06 118.70 117.20 2dkt s GLU 137 Ca 0.51 -0.93 -0.28 0.00 0.02 0.00 0.00 54.97 54.29 2dkt s GLU 137 Cb -0.39 -1.45 -0.26 0.00 0.10 0.00 0.00 34.13 32.12 2dkt s GLU 137 CO 0.52 0.37 0.82 0.66 0.02 0.00 0.00 175.26 177.65 2dkt h SER 138 N 4.87 0.03 -1.28 -0.19 4.64 -2.01 -3.50 113.55 116.11 2dkt h SER 138 Ca -0.42 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.94 2dkt h SER 138 Cb 1.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2dkt h SER 138 CO 0.44 0.99 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 2dkt n GLY 139 N 1.50 -1.24 0.20 -0.77 0.00 -1.26 -5.10 105.19 98.51 2dkt n GLY 139 Ca -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2dkt n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkt n PRO 140 N 0.27 -1.14 -3.89 1.61 -0.04 -1.26 -5.11 135.00 125.44 2dkt n PRO 140 Ca 0.00 -0.10 -0.08 0.00 -0.04 0.00 0.00 63.50 63.29 2dkt n PRO 140 Cb 0.00 -0.09 -0.03 0.00 -0.04 0.00 0.00 33.50 33.34 2dkt n PRO 140 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkt s SER 141 N -1.68 -0.22 -0.16 3.54 0.15 -1.26 -5.15 113.70 108.92 2dkt s SER 141 Ca 0.04 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 55.99 2dkt s SER 141 Cb -0.00 0.69 0.05 0.00 -1.71 0.00 0.00 66.02 65.04 2dkt s SER 141 CO 0.03 -1.29 -0.02 -0.55 1.20 0.00 0.00 173.24 172.62 2dkt s SER 142 N -2.94 2.72 0.00 5.45 0.15 -1.26 -5.35 113.70 112.46 2dkt s SER 142 Ca 0.14 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2dkt s SER 142 Cb -0.04 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.51 2dkt s SER 142 CO 0.07 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.89