#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dku s SER 2 N 0.00 6.28 -0.14 1.61 1.04 -1.26 -5.10 113.70 116.12 2dku s SER 2 Ca 0.00 0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 2dku s SER 2 Cb 0.00 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.18 2dku s SER 2 CO 0.00 0.16 -0.05 -0.44 0.98 0.00 0.00 173.24 173.89 2dku s SER 3 N -2.54 4.70 0.00 7.02 0.01 -1.26 -4.99 113.70 116.64 2dku s SER 3 Ca 0.34 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2dku s SER 3 Cb -0.13 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2dku s SER 3 CO 0.27 0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2dku n GLY 4 N 3.32 0.34 3.63 3.44 0.00 -1.26 -5.10 105.19 109.56 2dku n GLY 4 Ca -0.18 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2dku n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dku s SER 5 N -4.00 4.87 0.53 1.61 0.15 -1.26 -5.12 113.70 110.48 2dku s SER 5 Ca 0.00 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 56.66 2dku s SER 5 Cb 0.00 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 63.08 2dku s SER 5 CO 0.00 0.34 0.76 -0.94 1.20 0.00 0.00 173.24 174.59 2dku s SER 6 N -1.09 5.37 0.00 5.45 1.04 -1.26 -5.11 113.70 118.10 2dku s SER 6 Ca 0.15 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.61 2dku s SER 6 Cb -0.11 -0.97 0.00 0.00 0.10 0.00 0.00 66.02 65.04 2dku s SER 6 CO 0.04 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.81 2dku n GLY 7 N -2.29 1.22 2.51 7.32 0.00 -1.26 -4.96 105.19 107.72 2dku n GLY 7 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2dku n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dku n ALA 8 N -3.00 -2.66 -2.03 4.61 0.00 -1.26 -4.93 120.51 111.24 2dku n ALA 8 Ca 0.00 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 2dku n ALA 8 Cb 0.00 -1.10 0.04 0.00 0.00 0.00 0.00 19.45 18.39 2dku n ALA 8 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2dku s ASN 9 N -0.77 5.25 0.32 0.00 2.47 -1.26 -5.04 114.94 115.92 2dku s ASN 9 Ca 0.44 0.37 -0.13 0.00 0.42 0.00 0.00 52.86 53.97 2dku s ASN 9 Cb -0.43 -1.24 0.02 0.00 -1.45 0.00 0.00 41.25 38.15 2dku s ASN 9 CO 0.49 -1.24 0.63 0.00 -3.72 0.00 0.00 177.10 173.27 2dku s PHE 11 N -3.20 3.19 0.20 0.00 0.40 -1.26 -1.11 117.98 116.20 2dku s PHE 11 Ca 0.20 -1.19 0.02 0.00 -0.60 0.00 0.00 56.93 55.35 2dku s PHE 11 Cb -0.03 -2.25 0.15 0.00 0.51 0.00 0.00 43.02 41.39 2dku s PHE 11 CO 0.12 -0.65 1.49 1.79 0.70 0.00 0.00 175.22 178.67 2dku h THR 12 N 6.01 1.39 -3.19 0.64 1.35 -1.83 -3.40 112.91 113.88 2dku h THR 12 Ca -0.28 -2.11 -0.59 0.00 -0.55 0.00 0.00 66.41 62.88 2dku h THR 12 Cb 1.11 2.08 -0.40 0.00 -1.73 0.00 0.00 68.15 69.21 2dku h THR 12 CO 0.60 0.63 -0.75 -1.61 -0.25 0.00 0.00 175.52 174.14 2dku s GLU 13 N -3.65 0.83 0.82 4.72 2.02 -1.26 -5.02 118.70 117.15 2dku s GLU 13 Ca -0.05 -1.22 -0.12 0.00 0.02 0.00 0.00 54.97 53.60 2dku s GLU 13 Cb 0.11 -2.13 0.09 0.00 0.10 0.00 0.00 34.13 32.31 2dku s GLU 13 CO 0.82 -1.00 1.15 -1.21 0.02 0.00 0.00 175.26 175.04 2dku s GLU 14 N 1.45 1.67 1.07 1.61 2.02 -1.26 -2.32 118.70 122.94 2dku s GLU 14 Ca 0.11 1.54 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 2dku s GLU 14 Cb -0.18 -1.80 0.23 0.00 0.10 0.00 0.00 34.13 32.48 2dku s GLU 14 CO -0.21 -2.14 1.07 -0.51 0.02 0.00 0.00 175.26 173.48 2dku s LEU 15 N -5.95 1.55 -0.01 1.80 1.43 -1.26 -4.88 118.68 111.36 2dku s LEU 15 Ca 0.68 1.75 0.02 0.00 -1.03 0.00 0.00 54.13 55.55 2dku s LEU 15 Cb -0.24 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 2dku s LEU 15 CO 0.53 -3.80 -0.07 0.28 0.23 0.00 0.00 176.35 173.52 2dku s THR 16 N -2.54 0.61 0.38 5.49 -1.32 -1.26 -4.87 115.64 112.13 2dku s THR 16 Ca 0.68 -0.30 -0.25 0.00 -1.21 0.00 0.00 61.69 60.61 2dku s THR 16 Cb -0.24 -0.53 -0.12 0.00 -1.51 0.00 0.00 72.50 70.10 2dku s THR 16 CO 0.62 0.19 0.86 0.59 -2.21 0.00 0.00 174.62 174.66 2dku n ASN 17 N 3.09 0.56 -4.23 8.08 3.02 -1.26 -4.78 115.26 119.74 2dku n ASN 17 Ca -0.15 1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 55.17 2dku n ASN 17 Cb 0.56 -1.25 -0.15 0.00 -0.61 0.00 0.00 39.78 38.33 2dku n ASN 17 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dku s LEU 18 N 0.48 2.12 -0.18 3.41 1.43 -0.95 -4.98 118.68 120.01 2dku s LEU 18 Ca 0.62 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2dku s LEU 18 Cb -0.62 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 44.67 2dku s LEU 18 CO 0.58 0.19 -0.03 -1.58 0.23 0.00 0.00 176.35 175.74 2dku s GLN 19 N -0.91 1.24 0.19 1.70 0.74 -1.26 -0.06 119.66 121.31 2dku s GLN 19 Ca 0.07 -0.55 -0.04 0.00 0.05 0.00 0.00 55.36 54.90 2dku s GLN 19 Cb -0.08 -2.08 -0.03 0.00 1.10 0.00 0.00 33.01 31.91 2dku s GLN 19 CO 0.01 -0.50 0.19 0.08 -0.55 0.00 0.00 175.29 174.52 2dku s VAL 20 N 1.66 0.03 0.20 1.34 1.01 -0.45 -4.98 120.40 119.20 2dku s VAL 20 Ca -0.01 -1.82 -0.20 0.00 0.00 0.00 0.00 61.98 59.95 2dku s VAL 20 Cb -0.16 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 2dku s VAL 20 CO -0.07 -0.11 0.71 -1.61 0.00 0.00 0.00 175.10 174.02 2dku s GLU 21 N -4.10 4.28 0.66 2.72 8.01 -1.26 -1.01 118.70 128.00 2dku s GLU 21 Ca 0.31 0.88 -0.17 0.00 0.01 0.00 0.00 54.97 56.00 2dku s GLU 21 Cb 0.05 -2.96 -0.09 0.00 -4.31 0.00 0.00 34.13 26.82 2dku s GLU 21 CO 0.08 0.44 0.20 -0.85 0.01 0.00 0.00 175.26 175.15 2dku n GLU 22 N 0.92 0.22 -2.29 1.61 0.28 -1.26 -1.89 120.64 118.23 2dku n GLU 22 Ca -0.04 0.10 -0.20 0.00 -0.16 0.00 0.00 57.16 56.86 2dku n GLU 22 Cb 0.51 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.88 2dku n GLU 22 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2dku n LYS 23 N 0.37 -1.57 0.00 3.44 4.76 -0.73 -4.40 118.16 120.03 2dku n LYS 23 Ca 0.08 0.99 0.00 0.00 -2.87 0.00 0.00 58.31 56.52 2dku n LYS 23 Cb 0.49 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 2dku n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dku n GLY 24 N -0.97 1.05 3.37 0.72 0.00 -0.79 -4.66 105.19 103.90 2dku n GLY 24 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 2dku n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dku s THR 25 N 3.85 -0.46 -0.22 2.61 2.01 -1.26 -2.96 115.64 119.21 2dku s THR 25 Ca 0.00 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.10 2dku s THR 25 Cb 0.00 -0.74 0.06 0.00 0.01 0.00 0.00 72.50 71.83 2dku s THR 25 CO 0.00 0.04 -0.04 0.00 -0.69 0.00 0.00 174.62 173.93 2dku s ALA 26 N 2.22 1.78 -0.35 7.40 0.00 0.39 -4.95 121.76 128.26 2dku s ALA 26 Ca -0.05 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 2dku s ALA 26 Cb -0.10 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.70 2dku s ALA 26 CO -0.15 -1.12 0.12 0.54 0.00 0.00 0.00 175.76 175.16 2dku s VAL 27 N 1.48 3.91 -0.62 0.00 0.11 -1.26 -0.75 120.40 123.28 2dku s VAL 27 Ca -0.04 -1.10 -0.27 0.00 -2.93 0.00 0.00 61.98 57.63 2dku s VAL 27 Cb -0.18 -3.22 0.01 0.00 -1.53 0.00 0.00 36.38 31.46 2dku s VAL 27 CO -0.07 -0.20 1.51 -0.36 -3.33 0.00 0.00 175.10 172.66 2dku s PHE 28 N 1.42 2.09 -0.05 1.54 0.08 -0.79 -4.79 117.98 117.49 2dku s PHE 28 Ca -0.01 0.41 -0.20 0.00 0.12 0.00 0.00 56.93 57.25 2dku s PHE 28 Cb -0.20 -4.37 -0.05 0.00 -0.57 0.00 0.00 43.02 37.84 2dku s PHE 28 CO 0.03 -2.13 0.58 0.95 -0.10 0.00 0.00 175.22 174.56 2dku s THR 29 N 6.85 5.02 0.29 0.64 -4.23 -1.26 -2.14 115.64 120.81 2dku s THR 29 Ca 0.52 1.20 0.05 0.00 -1.18 0.00 0.00 61.69 62.28 2dku s THR 29 Cb -0.11 -3.92 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 2dku s THR 29 CO 0.21 0.36 0.29 0.00 -0.54 0.00 0.00 174.62 174.94 2dku s LYS 31 N -3.06 1.15 0.02 0.00 2.20 -0.98 -2.23 119.74 116.84 2dku s LYS 31 Ca 0.32 -1.23 -0.09 0.00 -0.36 0.00 0.00 55.97 54.62 2dku s LYS 31 Cb 0.01 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2dku s LYS 31 CO 0.23 -0.41 0.17 0.95 -0.36 0.00 0.00 175.35 175.93 2dku s THR 32 N -3.99 0.10 0.16 3.43 -4.23 -0.97 -3.65 115.64 106.48 2dku s THR 32 Ca 0.19 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 59.76 2dku s THR 32 Cb 0.04 -0.73 0.03 0.00 1.34 0.00 0.00 72.50 73.17 2dku s THR 32 CO 0.01 -0.45 1.61 -0.08 -0.54 0.00 0.00 174.62 175.16 2dku h GLU 33 N 3.78 0.92 -6.43 3.99 4.57 -1.44 -3.43 114.58 116.54 2dku h GLU 33 Ca -0.32 -0.30 -0.62 0.00 -1.18 0.00 0.00 59.36 56.95 2dku h GLU 33 Cb 1.19 -0.08 -0.19 0.00 -0.16 0.00 0.00 28.75 29.51 2dku h GLU 33 CO 0.45 0.95 -0.81 -1.01 -1.18 0.00 0.00 179.01 177.41 2dku s HIS 34 N -5.00 2.17 -0.95 0.92 3.76 -1.26 -5.03 115.29 109.90 2dku s HIS 34 Ca -0.12 -0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 2dku s HIS 34 Cb 0.12 -1.08 -0.05 0.00 1.11 0.00 0.00 32.58 32.68 2dku s HIS 34 CO 0.83 0.45 1.94 -1.25 -0.85 0.00 0.00 174.74 175.86 2dku s PRO 35 N -2.67 2.55 0.77 8.40 0.04 -1.26 -4.91 135.00 137.92 2dku s PRO 35 Ca 0.19 -0.44 -0.16 0.00 0.04 0.00 0.00 61.00 60.63 2dku s PRO 35 Cb -0.07 -5.09 -0.03 0.00 0.04 0.00 0.00 34.50 29.34 2dku s PRO 35 CO 0.09 -3.48 0.45 0.00 0.04 0.00 0.00 177.00 174.10 2dku n ALA 36 N 14.03 -1.89 0.36 8.56 0.00 -1.26 -4.93 120.51 135.38 2dku n ALA 36 Ca 0.41 -0.33 0.10 0.00 0.00 0.00 0.00 53.44 53.62 2dku n ALA 36 Cb 0.47 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 17.97 2dku n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dku n ALA 37 N -2.62 3.45 -3.27 0.00 0.00 -1.26 -4.99 120.51 111.82 2dku n ALA 37 Ca 0.09 -0.50 -0.14 0.00 0.00 0.00 0.00 53.44 52.89 2dku n ALA 37 Cb 0.51 -0.69 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 2dku n ALA 37 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2dku s THR 38 N -3.15 0.05 -0.06 0.00 -1.32 -1.26 -5.16 115.64 104.74 2dku s THR 38 Ca -0.01 -0.42 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 2dku s THR 38 Cb 0.13 -0.68 0.04 0.00 -1.51 0.00 0.00 72.50 70.49 2dku s THR 38 CO 0.81 -0.23 0.11 -0.69 -2.21 0.00 0.00 174.62 172.41 2dku s VAL 39 N -1.36 -0.17 -0.37 5.08 1.01 -1.26 -4.35 120.40 118.98 2dku s VAL 39 Ca -0.13 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.23 2dku s VAL 39 Cb -0.04 -0.22 0.10 0.00 0.00 0.00 0.00 36.38 36.22 2dku s VAL 39 CO 0.05 0.15 0.11 -0.89 0.00 0.00 0.00 175.10 174.51 2dku s THR 40 N 2.05 2.58 0.68 3.92 2.01 0.59 -4.96 115.64 122.51 2dku s THR 40 Ca 0.02 -2.32 -0.12 0.00 0.31 0.00 0.00 61.69 59.58 2dku s THR 40 Cb -0.12 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.53 2dku s THR 40 CO -0.05 -0.64 1.06 0.26 -0.69 0.00 0.00 174.62 174.57 2dku s TRP 41 N 0.90 3.06 -0.05 4.92 0.52 -1.26 -2.64 118.94 124.40 2dku s TRP 41 Ca 0.11 1.45 -0.02 0.00 0.02 0.00 0.00 56.10 57.65 2dku s TRP 41 Cb -0.20 -2.91 0.03 0.00 -1.15 0.00 0.00 33.47 29.23 2dku s TRP 41 CO -0.07 -1.24 0.11 0.50 0.02 0.00 0.00 176.95 176.28 2dku s ARG 42 N -4.84 0.06 -0.17 4.98 3.52 0.74 -1.63 118.95 121.61 2dku s ARG 42 Ca 0.59 0.29 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 2dku s ARG 42 Cb -0.15 -0.16 0.03 0.00 -1.56 0.00 0.00 34.95 33.12 2dku s ARG 42 CO 0.51 -0.14 -0.11 0.21 -0.81 0.00 0.00 175.30 174.97 2dku s LYS 43 N 0.97 1.99 -1.04 5.12 2.20 0.17 -0.24 119.74 128.91 2dku s LYS 43 Ca -0.08 -0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 54.76 2dku s LYS 43 Cb -0.10 -2.19 -0.03 0.00 -1.51 0.00 0.00 37.83 34.00 2dku s LYS 43 CO -0.04 -0.35 0.82 0.41 -0.36 0.00 0.00 175.35 175.83 2dku n GLY 44 N 4.76 -1.11 2.98 5.54 0.00 -1.23 -1.84 105.19 114.29 2dku n GLY 44 Ca -0.15 0.52 -0.19 0.00 0.00 0.00 0.00 46.02 46.20 2dku n GLY 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 45 N -3.43 -1.56 -4.00 0.99 4.32 -1.26 -4.94 117.00 107.11 2dku n LEU 45 Ca -0.08 -0.16 -0.16 0.00 -0.02 0.00 0.00 56.01 55.59 2dku n LEU 45 Cb 0.59 -2.25 -0.14 0.00 -1.62 0.00 0.00 43.42 40.01 2dku n LEU 45 CO 0.62 0.06 -0.41 -0.22 -1.22 0.00 0.00 177.39 176.23 2dku s LEU 46 N -6.20 2.09 -0.05 2.23 2.96 -0.77 -5.13 118.68 113.81 2dku s LEU 46 Ca 0.24 -0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 53.64 2dku s LEU 46 Cb -0.12 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 2dku s LEU 46 CO 0.30 -0.01 0.82 -0.70 -1.32 0.00 0.00 176.35 175.44 2dku s GLU 47 N -0.58 4.48 0.36 1.98 2.12 -1.26 0.45 118.70 126.23 2dku s GLU 47 Ca -0.01 1.10 -0.02 0.00 0.36 0.00 0.00 54.97 56.39 2dku s GLU 47 Cb -0.05 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 2dku s GLU 47 CO 0.00 -0.00 0.60 -0.51 -0.54 0.00 0.00 175.26 174.81 2dku s LEU 48 N 0.97 3.95 -0.02 2.70 1.43 -0.65 -4.89 118.68 122.17 2dku s LEU 48 Ca 0.43 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 2dku s LEU 48 Cb -0.19 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2dku s LEU 48 CO 0.22 -0.32 0.09 0.00 0.23 0.00 0.00 176.35 176.57 2dku s ARG 49 N -4.17 0.23 -0.63 1.70 1.70 -1.26 -4.61 118.95 111.90 2dku s ARG 49 Ca 0.43 -0.08 -0.31 0.00 -0.47 0.00 0.00 55.73 55.30 2dku s ARG 49 Cb -0.10 0.10 -0.14 0.00 -0.57 0.00 0.00 34.95 34.24 2dku s ARG 49 CO 0.36 -0.04 2.45 0.00 -1.08 0.00 0.00 175.30 176.99 2dku n ALA 50 N 2.48 0.67 -2.96 7.88 0.00 -1.24 -4.42 120.51 122.92 2dku n ALA 50 Ca -0.16 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 2dku n ALA 50 Cb 0.58 -2.67 -0.05 0.00 0.00 0.00 0.00 19.45 17.30 2dku n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dku s SER 51 N 9.63 -0.10 0.38 0.00 0.15 0.82 -4.98 113.70 119.61 2dku s SER 51 Ca 1.15 -0.64 0.31 0.00 0.70 0.00 0.00 55.95 57.47 2dku s SER 51 Cb -0.78 0.49 1.23 0.00 -1.71 0.00 0.00 66.02 65.25 2dku s SER 51 CO 0.41 -0.94 1.20 0.61 1.20 0.00 0.00 173.24 175.72 2dku n GLY 52 N -0.25 -0.70 0.00 9.45 0.00 -1.26 -1.34 105.19 111.09 2dku n GLY 52 Ca -0.10 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2dku n GLY 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dku n LYS 53 N -3.88 0.00 -3.10 1.61 3.00 -1.26 -4.63 118.16 109.90 2dku n LYS 53 Ca 0.32 0.43 -0.44 0.00 -0.00 0.00 0.00 58.31 58.63 2dku n LYS 53 Cb 1.36 -0.93 -0.05 0.00 0.00 0.00 0.00 35.03 35.41 2dku n LYS 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2dku s HIS 54 N -0.94 2.99 -0.66 5.64 3.76 -0.45 -3.41 115.29 122.21 2dku s HIS 54 Ca 0.00 -0.84 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2dku s HIS 54 Cb 0.00 -3.92 0.17 0.00 1.11 0.00 0.00 32.58 29.93 2dku s HIS 54 CO 0.00 -1.26 0.46 -1.14 -0.85 0.00 0.00 174.74 171.96 2dku s GLN 55 N 2.76 2.53 1.11 1.40 2.00 -0.94 -0.12 119.66 128.40 2dku s GLN 55 Ca 0.13 -2.82 -0.16 0.00 -2.00 0.00 0.00 55.36 50.51 2dku s GLN 55 Cb -0.23 -3.62 0.24 0.00 0.80 0.00 0.00 33.01 30.20 2dku s GLN 55 CO 0.08 -1.19 1.10 -1.25 -0.50 0.00 0.00 175.29 173.53 2dku s PRO 56 N -0.57 -0.48 0.19 1.67 0.04 -1.26 -2.94 135.00 131.65 2dku s PRO 56 Ca 0.20 0.21 -0.05 0.00 0.04 0.00 0.00 61.00 61.40 2dku s PRO 56 Cb -0.17 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.73 2dku s PRO 56 CO -0.06 -3.27 0.34 0.43 0.04 0.00 0.00 177.00 174.47 2dku n SER 57 N -4.50 -0.97 -3.73 6.66 7.64 -0.63 -4.92 113.62 113.18 2dku n SER 57 Ca 0.09 -1.89 -0.13 0.00 1.01 0.00 0.00 58.87 57.96 2dku n SER 57 Cb 0.58 1.67 -0.10 0.00 -1.01 0.00 0.00 64.21 65.35 2dku n SER 57 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2dku s GLN 58 N -2.21 0.46 0.36 1.43 0.74 -1.26 -4.14 119.66 115.04 2dku s GLN 58 Ca 0.11 0.58 -0.04 0.00 0.05 0.00 0.00 55.36 56.07 2dku s GLN 58 Cb -0.02 0.20 0.02 0.00 1.10 0.00 0.00 33.01 34.31 2dku s GLN 58 CO 0.08 -0.07 0.54 0.39 -0.55 0.00 0.00 175.29 175.69 2dku n GLU 59 N 3.02 0.78 -1.52 1.67 1.02 0.39 -5.01 120.64 120.99 2dku n GLU 59 Ca -0.14 -2.75 -0.24 0.00 -0.02 0.00 0.00 57.16 54.01 2dku n GLU 59 Cb 0.57 2.75 -0.16 0.00 -0.02 0.00 0.00 31.44 34.58 2dku n GLU 59 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dku n GLY 60 N -0.58 -0.36 2.22 0.62 0.00 -1.26 -1.08 105.19 104.75 2dku n GLY 60 Ca -0.01 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 2dku n GLY 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dku n LEU 61 N 10.40 -0.93 -3.85 0.99 4.77 -1.26 -4.91 117.00 122.21 2dku n LEU 61 Ca 0.60 0.25 -0.23 0.00 -0.03 0.00 0.00 56.01 56.60 2dku n LEU 61 Cb 0.23 -1.90 -0.17 0.00 -2.33 0.00 0.00 43.42 39.24 2dku n LEU 61 CO 0.91 -0.28 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.38 2dku s THR 62 N -2.31 0.62 0.14 -5.08 2.01 -0.24 -2.29 115.64 108.49 2dku s THR 62 Ca 0.00 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.02 2dku s THR 62 Cb 0.00 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2dku s THR 62 CO 0.00 0.28 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.25 2dku s LEU 63 N 1.55 2.58 0.01 4.42 1.43 -0.95 -0.47 118.68 127.26 2dku s LEU 63 Ca -0.00 -0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 52.24 2dku s LEU 63 Cb -0.13 -1.41 0.04 0.00 0.03 0.00 0.00 46.19 44.71 2dku s LEU 63 CO -0.04 0.16 0.44 0.00 0.23 0.00 0.00 176.35 177.15 2dku s ARG 64 N -2.25 0.88 -0.29 1.70 1.70 -1.26 -0.27 118.95 119.16 2dku s ARG 64 Ca 0.18 -0.17 -0.01 0.00 -0.47 0.00 0.00 55.73 55.26 2dku s ARG 64 Cb -0.10 0.40 0.09 0.00 -0.57 0.00 0.00 34.95 34.77 2dku s ARG 64 CO 0.09 -0.28 0.07 -1.17 -1.08 0.00 0.00 175.30 172.94 2dku s LEU 65 N -1.61 2.19 0.04 -1.89 2.96 -0.91 -1.60 118.68 117.86 2dku s LEU 65 Ca -0.09 -1.49 -0.30 0.00 -0.22 0.00 0.00 54.13 52.03 2dku s LEU 65 Cb -0.02 -0.88 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 2dku s LEU 65 CO 0.02 -0.38 1.18 -0.89 -1.32 0.00 0.00 176.35 174.96 2dku s THR 66 N 1.61 4.14 -0.25 3.68 2.01 -1.15 -1.88 115.64 123.80 2dku s THR 66 Ca 0.07 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.61 2dku s THR 66 Cb -0.17 -3.98 0.06 0.00 0.01 0.00 0.00 72.50 68.42 2dku s THR 66 CO -0.20 0.10 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.15 2dku s ILE 67 N 1.21 1.64 0.39 1.82 1.01 0.07 -2.22 121.20 125.12 2dku s ILE 67 Ca 0.58 -1.36 0.08 0.00 0.00 0.00 0.00 60.65 59.94 2dku s ILE 67 Cb -0.28 -1.92 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 2dku s ILE 67 CO 0.28 -0.15 0.48 -0.44 0.00 0.00 0.00 174.94 175.11 2dku s SER 68 N 1.33 5.57 -1.30 3.58 0.01 -1.22 -0.46 113.70 121.21 2dku s SER 68 Ca -0.05 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.70 2dku s SER 68 Cb -0.19 -0.80 0.01 0.00 0.21 0.00 0.00 66.02 65.24 2dku s SER 68 CO -0.07 -0.62 1.13 0.00 0.41 0.00 0.00 173.24 174.09 2dku n ALA 69 N -1.69 -1.44 -0.26 1.44 0.00 -1.16 -4.84 120.51 112.56 2dku n ALA 69 Ca 0.04 0.30 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 2dku n ALA 69 Cb 0.59 -4.78 0.28 0.00 0.00 0.00 0.00 19.45 15.54 2dku n ALA 69 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dku n LEU 70 N -4.75 -0.42 -3.64 0.00 4.77 -1.26 -4.69 117.00 107.02 2dku n LEU 70 Ca -0.05 -0.81 -0.04 0.00 -0.03 0.00 0.00 56.01 55.07 2dku n LEU 70 Cb 0.58 -0.98 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 2dku n LEU 70 CO 0.63 -4.47 0.79 -1.83 -1.33 0.00 0.00 177.39 171.18 2dku s GLU 71 N -4.88 0.88 0.50 3.23 -1.05 -1.26 -1.77 118.70 114.35 2dku s GLU 71 Ca 0.64 -0.43 0.22 0.00 -0.15 0.00 0.00 54.97 55.24 2dku s GLU 71 Cb -0.12 0.34 1.29 0.00 -0.44 0.00 0.00 34.13 35.20 2dku s GLU 71 CO 0.54 -0.40 1.99 0.87 0.95 0.00 0.00 175.26 179.21 2dku h LYS 72 N 2.00 0.11 0.03 -4.83 1.79 -1.98 -0.13 116.57 113.56 2dku h LYS 72 Ca -0.23 -0.01 -0.23 0.00 -2.18 0.00 0.00 60.65 58.00 2dku h LYS 72 Cb 1.22 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 2dku h LYS 72 CO 0.27 0.07 -0.99 0.00 -1.08 0.00 0.00 179.45 177.72 2dku h ALA 73 N 1.73 0.33 -1.02 3.86 0.00 -1.97 -3.26 119.26 118.93 2dku h ALA 73 Ca 0.26 -0.74 0.35 0.00 0.00 0.00 0.00 54.91 54.77 2dku h ALA 73 Cb 0.86 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.48 2dku h ALA 73 CO -0.03 0.85 0.58 0.22 0.00 0.00 0.00 179.25 180.88 2dku h ASP 74 N 0.19 0.45 -0.31 0.00 1.82 -1.39 -3.38 116.42 113.80 2dku h ASP 74 Ca -0.09 0.20 -0.43 0.00 -0.39 0.00 0.00 57.03 56.33 2dku h ASP 74 Cb 1.65 0.16 -0.07 0.00 0.68 0.00 0.00 39.33 41.75 2dku h ASP 74 CO 0.17 -0.21 1.67 -1.20 -1.61 0.00 0.00 179.24 178.07 2dku n SER 75 N -5.07 0.38 -2.12 2.28 7.64 -1.23 -4.78 113.62 110.72 2dku n SER 75 Ca 0.33 -0.22 -0.07 0.00 1.01 0.00 0.00 58.87 59.93 2dku n SER 75 Cb 1.08 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dku n SER 75 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2dku n ASP 76 N 11.00 -1.13 -4.45 6.43 8.00 -1.25 -4.94 116.55 130.20 2dku n ASP 76 Ca 0.60 -2.03 -0.42 0.00 0.71 0.00 0.00 54.79 53.65 2dku n ASP 76 Cb 0.17 1.96 -0.10 0.00 -0.02 0.00 0.00 41.12 43.13 2dku n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dku s THR 77 N -2.55 5.10 0.10 -3.53 2.01 -1.26 -2.50 115.64 113.00 2dku s THR 77 Ca 0.13 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.40 2dku s THR 77 Cb -0.02 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 2dku s THR 77 CO 0.09 -0.23 0.46 -0.31 -0.69 0.00 0.00 174.62 173.95 2dku s TYR 78 N 1.66 3.60 -0.13 4.92 1.51 -0.87 -3.58 117.35 124.46 2dku s TYR 78 Ca 0.05 0.90 0.01 0.00 -1.01 0.00 0.00 57.07 57.02 2dku s TYR 78 Cb -0.19 -2.25 0.02 0.00 -0.11 0.00 0.00 41.96 39.44 2dku s TYR 78 CO 0.09 0.49 -0.14 0.99 -1.11 0.00 0.00 175.55 175.88 2dku s THR 79 N -1.40 1.48 -0.53 -0.71 2.01 0.66 -2.28 115.64 114.87 2dku s THR 79 Ca 0.34 -0.60 -0.16 0.00 0.31 0.00 0.00 61.69 61.59 2dku s THR 79 Cb -0.15 -1.38 0.12 0.00 0.01 0.00 0.00 72.50 71.11 2dku s THR 79 CO 0.18 0.44 0.48 0.00 -0.69 0.00 0.00 174.62 175.03 2dku s ASP 81 N 3.41 6.62 0.00 0.00 -1.08 -1.08 -1.99 116.67 122.55 2dku s ASP 81 Ca 0.03 0.75 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 2dku s ASP 81 Cb -0.29 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 2dku s ASP 81 CO 0.03 0.24 0.10 2.30 0.52 0.00 0.00 175.17 178.36 2dku n ILE 82 N 1.22 0.00 0.00 4.11 -5.35 -0.88 -0.30 119.36 118.16 2dku n ILE 82 Ca -0.11 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 2dku n ILE 82 Cb 0.53 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.45 2dku n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dku n GLY 83 N 0.71 1.74 0.10 3.28 0.00 -1.26 -4.42 105.19 105.34 2dku n GLY 83 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 2dku n GLY 83 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dku n GLN 84 N 0.00 0.16 -4.43 1.61 1.13 -1.26 -5.08 117.38 109.51 2dku n GLN 84 Ca 0.00 0.04 -0.21 0.00 -1.94 0.00 0.00 57.00 54.89 2dku n GLN 84 Cb 0.00 -1.10 -0.10 0.00 0.11 0.00 0.00 30.24 29.15 2dku n GLN 84 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dku s ALA 85 N -2.13 2.32 -0.14 -1.58 0.00 -1.26 -4.94 121.76 114.02 2dku s ALA 85 Ca -0.09 -1.98 -0.11 0.00 0.00 0.00 0.00 51.96 49.78 2dku s ALA 85 Cb 0.02 0.46 0.04 0.00 0.00 0.00 0.00 23.12 23.65 2dku s ALA 85 CO 0.15 -0.22 0.36 -0.65 0.00 0.00 0.00 175.76 175.41 2dku s GLN 86 N -3.83 0.39 0.53 0.00 1.11 -1.26 -2.07 119.66 114.54 2dku s GLN 86 Ca 0.33 0.60 0.09 0.00 0.01 0.00 0.00 55.36 56.39 2dku s GLN 86 Cb 0.07 0.09 0.06 0.00 -1.01 0.00 0.00 33.01 32.22 2dku s GLN 86 CO 0.13 -0.10 0.67 -1.12 0.01 0.00 0.00 175.29 174.89 2dku s SER 87 N 0.72 5.12 -0.03 5.90 0.01 -0.84 -4.89 113.70 119.68 2dku s SER 87 Ca -0.04 -0.83 -0.15 0.00 1.31 0.00 0.00 55.95 56.24 2dku s SER 87 Cb -0.05 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2dku s SER 87 CO -0.05 -1.17 0.33 -0.13 0.41 0.00 0.00 173.24 172.63 2dku s ARG 88 N -4.52 0.65 -0.11 12.44 0.52 -1.26 -2.43 118.95 124.23 2dku s ARG 88 Ca 0.56 -0.09 -0.22 0.00 -0.52 0.00 0.00 55.73 55.45 2dku s ARG 88 Cb -0.06 0.29 0.05 0.00 0.52 0.00 0.00 34.95 35.76 2dku s ARG 88 CO 0.35 -0.17 0.55 0.00 0.02 0.00 0.00 175.30 176.05 2dku s ALA 89 N -1.12 -1.39 -0.20 2.13 0.00 -0.96 -4.33 121.76 115.89 2dku s ALA 89 Ca -0.12 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 52.98 2dku s ALA 89 Cb -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2dku s ALA 89 CO 0.04 -0.30 0.08 -0.65 0.00 0.00 0.00 175.76 174.93 2dku s GLN 90 N -0.58 3.98 -0.13 0.00 -0.21 -1.26 -2.06 119.66 119.41 2dku s GLN 90 Ca -0.07 -0.33 -0.07 0.00 0.02 0.00 0.00 55.36 54.90 2dku s GLN 90 Cb -0.03 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2dku s GLN 90 CO 0.05 0.22 0.14 -1.17 -2.12 0.00 0.00 175.29 172.40 2dku s LEU 91 N 0.54 4.37 -0.19 2.90 2.96 -1.04 -2.23 118.68 125.99 2dku s LEU 91 Ca 0.04 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 2dku s LEU 91 Cb -0.13 -2.08 0.03 0.00 0.50 0.00 0.00 46.19 44.52 2dku s LEU 91 CO 0.01 0.38 -0.16 -0.22 -1.32 0.00 0.00 176.35 175.04 2dku s LEU 92 N -0.87 2.24 -0.59 -0.68 2.96 0.92 -3.96 118.68 118.70 2dku s LEU 92 Ca 0.14 -0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 53.15 2dku s LEU 92 Cb -0.12 -1.40 0.15 0.00 0.50 0.00 0.00 46.19 45.32 2dku s LEU 92 CO 0.03 -0.05 0.54 -0.69 -1.32 0.00 0.00 176.35 174.86 2dku s VAL 93 N 1.31 5.19 0.00 1.68 1.01 -1.26 -1.35 120.40 126.99 2dku s VAL 93 Ca 0.02 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 60.26 2dku s VAL 93 Cb -0.14 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2dku s VAL 93 CO -0.11 -0.89 0.88 0.00 0.00 0.00 0.00 175.10 174.97 2dku n GLN 94 N 4.94 0.00 0.00 2.72 6.02 -0.18 -4.77 117.38 126.11 2dku n GLN 94 Ca -0.08 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2dku n GLN 94 Cb 0.41 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.30 2dku n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dku n GLY 95 N -0.88 3.16 0.31 1.08 0.00 -1.26 -4.82 105.19 102.78 2dku n GLY 95 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 2dku n GLY 95 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dku n ARG 96 N 0.00 -0.32 -3.77 1.61 0.63 -1.26 -4.60 116.66 108.95 2dku n ARG 96 Ca 0.00 1.15 -0.13 0.00 -0.92 0.00 0.00 57.85 57.95 2dku n ARG 96 Cb 0.00 -1.70 -0.09 0.00 0.45 0.00 0.00 32.46 31.12 2dku n ARG 96 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2dku s ARG 97 N -5.26 0.57 0.01 -0.14 3.52 -1.26 -5.06 118.95 111.33 2dku s ARG 97 Ca -0.09 -0.02 0.08 0.00 -0.13 0.00 0.00 55.73 55.57 2dku s ARG 97 Cb 0.08 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.70 2dku s ARG 97 CO 0.46 -0.14 -0.23 0.45 -0.81 0.00 0.00 175.30 175.03 2dku s SER 98 N -0.90 3.33 0.04 -2.12 0.15 -1.26 -5.14 113.70 107.81 2dku s SER 98 Ca -0.10 -0.47 0.02 0.00 0.70 0.00 0.00 55.95 56.10 2dku s SER 98 Cb -0.05 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.81 2dku s SER 98 CO 0.03 0.29 -0.08 -0.83 1.20 0.00 0.00 173.24 173.85 2dku s GLY 99 N -0.99 0.54 0.14 9.45 0.00 -1.26 -5.13 107.32 110.07 2dku s GLY 99 Ca 0.12 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.74 2dku s GLY 99 CO 0.01 -0.83 1.34 2.56 0.00 0.00 0.00 173.10 176.18 2dku s PRO 100 N -1.59 4.35 -0.16 2.90 0.04 -1.26 -4.93 135.00 134.35 2dku s PRO 100 Ca -0.09 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2dku s PRO 100 Cb -0.10 -3.24 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 2dku s PRO 100 CO 0.01 -0.36 -0.10 -1.13 0.04 0.00 0.00 177.00 175.46 2dku n SER 101 N 3.48 2.37 -4.67 6.66 3.41 -1.26 -4.94 113.62 118.67 2dku n SER 101 Ca 0.09 -0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 2dku n SER 101 Cb 0.43 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.38 2dku n SER 101 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dku s SER 102 N -5.41 7.08 0.00 4.04 0.01 -1.26 -5.39 113.70 112.78 2dku s SER 102 Ca -0.19 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dku s SER 102 Cb 0.05 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2dku s SER 102 CO 0.44 -0.54 0.47 0.61 0.41 0.00 0.00 173.24 174.64