#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk4 s SER 2 N 0.00 -0.01 0.17 1.61 0.15 -1.26 -5.18 113.70 109.19 2dk4 s SER 2 Ca 0.00 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.68 2dk4 s SER 2 Cb 0.00 1.00 -0.05 0.00 -1.71 0.00 0.00 66.02 65.27 2dk4 s SER 2 CO 0.00 -0.00 -0.01 -0.94 1.20 0.00 0.00 173.24 173.48 2dk4 s SER 3 N 1.45 1.37 0.02 5.45 1.04 -1.26 -5.17 113.70 116.61 2dk4 s SER 3 Ca -0.04 -1.15 -0.23 0.00 0.48 0.00 0.00 55.95 55.01 2dk4 s SER 3 Cb -0.01 0.09 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2dk4 s SER 3 CO -0.12 -0.53 0.53 -0.83 0.98 0.00 0.00 173.24 173.27 2dk4 s GLY 4 N -3.19 -0.42 -0.30 7.32 0.00 -1.26 -5.15 107.32 104.32 2dk4 s GLY 4 Ca 0.23 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.48 2dk4 s GLY 4 CO 0.04 0.39 1.12 -0.45 0.00 0.00 0.00 173.10 174.20 2dk4 s SER 5 N -1.78 -0.33 0.29 1.64 0.15 -1.26 -5.18 113.70 107.23 2dk4 s SER 5 Ca -0.07 0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.95 2dk4 s SER 5 Cb -0.01 1.31 -0.04 0.00 -1.71 0.00 0.00 66.02 65.58 2dk4 s SER 5 CO 0.01 -0.06 0.17 -0.94 1.20 0.00 0.00 173.24 173.61 2dk4 s SER 6 N 2.69 5.12 0.00 5.45 1.04 -1.26 -5.07 113.70 121.67 2dk4 s SER 6 Ca -0.02 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.93 2dk4 s SER 6 Cb -0.07 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2dk4 s SER 6 CO -0.12 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2dk4 n GLY 7 N -1.16 1.68 2.83 7.32 0.00 -1.26 -5.14 105.19 109.46 2dk4 n GLY 7 Ca -0.05 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk4 s THR 8 N 0.00 1.16 -0.29 2.61 2.01 -1.26 -5.06 115.64 114.81 2dk4 s THR 8 Ca 0.00 -1.25 0.04 0.00 0.31 0.00 0.00 61.69 60.79 2dk4 s THR 8 Cb 0.00 -1.67 0.19 0.00 0.01 0.00 0.00 72.50 71.02 2dk4 s THR 8 CO 0.00 -0.37 0.55 -0.44 -0.69 0.00 0.00 174.62 173.66 2dk4 s SER 9 N 1.52 -1.13 -0.32 3.53 0.01 -1.26 -5.09 113.70 110.96 2dk4 s SER 9 Ca 0.02 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.37 2dk4 s SER 9 Cb -0.18 1.84 0.19 0.00 0.21 0.00 0.00 66.02 68.08 2dk4 s SER 9 CO -0.13 -0.30 1.06 -0.55 0.41 0.00 0.00 173.24 173.72 2dk4 s SER 10 N 2.77 -0.30 -0.30 2.44 0.15 -1.26 -5.12 113.70 112.08 2dk4 s SER 10 Ca 0.12 -0.16 -0.16 0.00 0.70 0.00 0.00 55.95 56.45 2dk4 s SER 10 Cb -0.11 0.38 0.18 0.00 -1.71 0.00 0.00 66.02 64.76 2dk4 s SER 10 CO -0.26 -0.03 1.17 0.54 1.20 0.00 0.00 173.24 175.86 2dk4 s ASN 11 N 1.92 -0.10 0.06 5.45 4.22 -1.26 -5.05 114.94 120.18 2dk4 s ASN 11 Ca 0.15 0.01 -0.15 0.00 -2.14 0.00 0.00 52.86 50.73 2dk4 s ASN 11 Cb 0.04 1.06 -0.21 0.00 1.28 0.00 0.00 41.25 43.42 2dk4 s ASN 11 CO -0.15 -0.02 1.20 1.55 -2.04 0.00 0.00 177.10 177.64 2dk4 h PRO 12 N 7.12 0.64 -6.99 3.55 0.13 -2.01 -3.47 132.00 130.97 2dk4 h PRO 12 Ca -0.11 -0.62 -0.61 0.00 -0.87 0.00 0.00 66.00 63.79 2dk4 h PRO 12 Cb 1.17 0.16 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 2dk4 h PRO 12 CO -0.16 1.23 -1.01 1.55 -0.23 0.00 0.00 178.00 179.38 2dk4 n VAL 13 N -4.00 -2.34 -3.60 1.56 3.14 -1.26 -4.93 118.33 106.89 2dk4 n VAL 13 Ca -0.10 -0.58 -0.10 0.00 -2.96 0.00 0.00 64.34 60.60 2dk4 n VAL 13 Cb 0.77 -2.01 -0.10 0.00 -1.06 0.00 0.00 33.84 31.44 2dk4 n VAL 13 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 2dk4 s LEU 14 N -7.48 -0.53 0.45 6.55 0.05 -1.26 -5.12 118.68 111.34 2dk4 s LEU 14 Ca 0.40 0.71 0.00 0.00 0.05 0.00 0.00 54.13 55.29 2dk4 s LEU 14 Cb -0.22 1.09 0.00 0.00 -2.05 0.00 0.00 46.19 45.01 2dk4 s LEU 14 CO 0.98 -0.25 0.00 -0.62 -0.55 0.00 0.00 176.35 175.91 2dk4 n GLU 15 N 5.37 -2.96 -3.52 1.48 1.02 -1.26 -4.87 120.64 115.91 2dk4 n GLU 15 Ca -0.07 2.19 -0.25 0.00 -0.02 0.00 0.00 57.16 59.01 2dk4 n GLU 15 Cb 0.50 -3.57 -0.14 0.00 -0.02 0.00 0.00 31.44 28.21 2dk4 n GLU 15 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dk4 s LEU 16 N -6.97 0.30 -0.34 -4.62 1.43 -1.26 -5.07 118.68 102.16 2dk4 s LEU 16 Ca 0.00 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2dk4 s LEU 16 Cb 0.00 -0.10 0.19 0.00 0.03 0.00 0.00 46.19 46.31 2dk4 s LEU 16 CO 0.00 -0.41 0.78 -1.61 0.23 0.00 0.00 176.35 175.34 2dk4 s GLU 17 N 2.18 0.50 -0.25 1.70 0.41 -1.26 -5.16 118.70 116.81 2dk4 s GLU 17 Ca 0.08 0.08 -0.36 0.00 -0.41 0.00 0.00 54.97 54.35 2dk4 s GLU 17 Cb -0.16 0.12 0.15 0.00 -1.78 0.00 0.00 34.13 32.47 2dk4 s GLU 17 CO -0.31 -0.80 1.32 -1.17 -0.49 0.00 0.00 175.26 173.81 2dk4 s LEU 18 N 2.34 -0.06 0.00 1.80 0.20 -1.26 -5.19 118.68 116.51 2dk4 s LEU 18 Ca 0.16 0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.99 2dk4 s LEU 18 Cb -0.04 1.16 0.00 0.00 -0.43 0.00 0.00 46.19 46.89 2dk4 s LEU 18 CO -0.17 -0.10 0.00 0.00 -0.29 0.00 0.00 176.35 175.80 2dk4 n ALA 19 N 0.03 0.00 -2.33 5.97 0.00 -1.26 -5.00 120.51 117.91 2dk4 n ALA 19 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.41 2dk4 n ALA 19 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2dk4 n ALA 19 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2dk4 n GLU 20 N 0.00 -1.55 -0.52 0.00 4.07 -1.26 -4.86 120.64 116.52 2dk4 n GLU 20 Ca 0.00 0.34 0.42 0.00 -0.06 0.00 0.00 57.16 57.86 2dk4 n GLU 20 Cb 0.00 -3.44 0.69 0.00 -0.06 0.00 0.00 31.44 28.63 2dk4 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2dk4 n GLU 21 N -2.20 -0.02 -1.51 5.31 1.02 -1.26 -4.45 120.64 117.52 2dk4 n GLU 21 Ca -0.06 1.15 -0.38 0.00 -0.02 0.00 0.00 57.16 57.84 2dk4 n GLU 21 Cb 0.55 -2.37 0.04 0.00 -0.02 0.00 0.00 31.44 29.64 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2dk4 n LYS 22 N -4.39 0.67 -3.90 3.49 4.81 -1.26 -5.01 118.16 112.57 2dk4 n LYS 22 Ca 0.40 0.26 -0.09 0.00 -0.87 0.00 0.00 58.31 58.00 2dk4 n LYS 22 Cb 1.63 -1.83 -0.06 0.00 0.02 0.00 0.00 35.03 34.78 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dk4 s LEU 23 N 0.02 0.86 0.00 3.14 1.43 -1.26 -5.15 118.68 117.71 2dk4 s LEU 23 Ca 0.70 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 2dk4 s LEU 23 Cb -0.46 1.35 0.14 0.00 0.03 0.00 0.00 46.19 47.25 2dk4 s LEU 23 CO 0.53 -0.90 0.65 -0.81 0.23 0.00 0.00 176.35 176.05 2dk4 n PRO 24 N -0.22 -1.40 -1.92 1.29 -0.04 -1.26 -4.90 135.00 126.55 2dk4 n PRO 24 Ca -0.09 -1.02 -0.40 0.00 -0.04 0.00 0.00 63.50 61.95 2dk4 n PRO 24 Cb 0.63 -0.80 -0.03 0.00 -0.04 0.00 0.00 33.50 33.26 2dk4 n PRO 24 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2dk4 s MET 25 N -4.44 2.82 -0.11 0.54 -1.94 -1.26 -4.84 119.30 110.07 2dk4 s MET 25 Ca 0.39 1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 55.29 2dk4 s MET 25 Cb -0.02 -4.35 -0.16 0.00 2.01 0.00 0.00 34.83 32.30 2dk4 s MET 25 CO 0.29 -2.48 0.57 1.79 -0.01 0.00 0.00 175.02 175.18 2dk4 h THR 26 N 7.00 1.08 -3.14 2.05 1.35 -2.00 -3.44 112.91 115.80 2dk4 h THR 26 Ca -0.29 -1.70 -0.60 0.00 -0.55 0.00 0.00 66.41 63.27 2dk4 h THR 26 Cb 1.19 2.00 -0.08 0.00 -1.73 0.00 0.00 68.15 69.52 2dk4 h THR 26 CO 1.13 0.35 -0.30 -0.76 -0.25 0.00 0.00 175.52 175.69 2dk4 s LEU 27 N -8.48 4.32 0.73 3.87 1.43 -1.26 -5.08 118.68 114.21 2dk4 s LEU 27 Ca -0.12 0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 2dk4 s LEU 27 Cb -0.01 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.82 2dk4 s LEU 27 CO 0.44 0.19 1.09 -0.44 0.23 0.00 0.00 176.35 177.87 2dk4 s SER 28 N -0.10 5.17 0.16 2.29 0.01 -1.26 -4.74 113.70 115.23 2dk4 s SER 28 Ca 0.19 1.21 -0.27 0.00 1.31 0.00 0.00 55.95 58.38 2dk4 s SER 28 Cb -0.14 -1.99 -0.02 0.00 0.21 0.00 0.00 66.02 64.08 2dk4 s SER 28 CO 0.07 -1.53 1.46 -2.11 0.41 0.00 0.00 173.24 171.54 2dk4 n ARG 29 N -3.14 -0.39 0.07 12.44 1.85 -1.26 -0.19 116.66 126.05 2dk4 n ARG 29 Ca 0.07 1.44 -0.12 0.00 -1.00 0.00 0.00 57.85 58.23 2dk4 n ARG 29 Cb 0.57 -2.12 -0.06 0.00 -1.05 0.00 0.00 32.46 29.81 2dk4 n ARG 29 CO 0.00 0.00 0.00 0.37 -0.01 0.00 0.00 177.63 177.99 2dk4 h GLN 30 N 0.00 -0.49 -0.33 2.89 5.75 -1.97 1.55 115.11 122.51 2dk4 h GLN 30 Ca 0.18 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 58.81 2dk4 h GLN 30 Cb 0.42 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2dk4 h GLN 30 CO -0.90 -0.33 0.55 1.49 -2.65 0.00 0.00 178.83 176.99 2dk4 h GLU 31 N -0.51 0.00 0.02 1.69 4.57 -1.00 1.10 114.58 120.46 2dk4 h GLU 31 Ca 0.05 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.89 2dk4 h GLU 31 Cb 0.59 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.12 2dk4 h GLU 31 CO -0.26 0.00 -2.09 0.28 -1.18 0.00 0.00 179.01 175.76 2dk4 n VAL 32 N -3.31 1.56 -0.07 0.32 0.31 0.87 -4.02 118.33 113.99 2dk4 n VAL 32 Ca 0.06 -0.75 -0.09 0.00 -0.01 0.00 0.00 64.34 63.54 2dk4 n VAL 32 Cb 0.69 -1.06 0.06 0.00 -0.91 0.00 0.00 33.84 32.61 2dk4 n VAL 32 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2dk4 h ILE 33 N 0.01 1.28 0.02 2.52 2.04 0.83 -1.82 117.51 122.40 2dk4 h ILE 33 Ca -0.44 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 63.94 2dk4 h ILE 33 Cb 2.07 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 2dk4 h ILE 33 CO 0.04 0.49 -0.02 -0.09 0.00 0.00 0.00 178.15 178.56 2dk4 h ARG 34 N 0.64 -0.04 0.19 2.37 2.43 0.69 0.34 114.38 121.00 2dk4 h ARG 34 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2dk4 h ARG 34 Cb 0.87 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.40 2dk4 h ARG 34 CO 0.08 -0.03 -0.45 0.00 -1.51 0.00 0.00 179.97 178.05 2dk4 h ARG 35 N -0.04 -0.68 -0.97 0.20 3.08 -1.70 -0.84 114.38 113.43 2dk4 h ARG 35 Ca -0.00 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.22 2dk4 h ARG 35 Cb 0.04 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.10 2dk4 h ARG 35 CO -0.01 -0.46 -0.45 1.28 -1.07 0.00 0.00 179.97 179.27 2dk4 n LEU 36 N -5.07 -0.77 0.02 3.04 4.77 -0.68 0.10 117.00 118.41 2dk4 n LEU 36 Ca -0.08 1.71 -0.15 0.00 -0.03 0.00 0.00 56.01 57.45 2dk4 n LEU 36 Cb 0.37 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.03 2dk4 n LEU 36 CO 0.16 -1.48 0.51 0.03 -1.33 0.00 0.00 177.39 175.27 2dk4 h ARG 37 N 0.00 -0.60 -0.56 3.23 3.08 0.30 0.60 114.38 120.42 2dk4 h ARG 37 Ca 0.28 0.04 0.14 0.00 0.07 0.00 0.00 59.98 60.51 2dk4 h ARG 37 Cb 0.52 0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2dk4 h ARG 37 CO -0.95 -0.40 0.39 0.93 -1.07 0.00 0.00 179.97 178.88 2dk4 h GLU 38 N -0.62 0.12 -0.01 0.04 5.08 0.82 0.37 114.58 120.38 2dk4 h GLU 38 Ca 0.02 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 2dk4 h GLU 38 Cb 0.70 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2dk4 h GLU 38 CO -0.40 0.08 -0.66 0.00 -1.00 0.00 0.00 179.01 177.02 2dk4 h ARG 39 N 0.12 0.03 0.00 2.33 2.47 0.39 -3.47 114.38 116.25 2dk4 h ARG 39 Ca 0.27 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.97 2dk4 h ARG 39 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.23 2dk4 h ARG 39 CO -0.03 0.68 0.00 0.41 0.56 0.00 0.00 179.97 181.59 2dk4 n GLY 40 N 0.38 0.48 3.84 0.04 0.00 0.18 -5.06 105.19 105.04 2dk4 n GLY 40 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 2dk4 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk4 s GLU 41 N -0.87 3.15 -0.22 1.61 2.02 -0.66 -4.97 118.70 118.76 2dk4 s GLU 41 Ca 0.00 0.89 -0.29 0.00 0.02 0.00 0.00 54.97 55.59 2dk4 s GLU 41 Cb 0.00 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.20 2dk4 s GLU 41 CO 0.00 -0.93 1.31 -1.25 0.02 0.00 0.00 175.26 174.41 2dk4 s PRO 42 N -5.09 4.08 0.33 0.39 0.04 -1.26 -4.20 135.00 129.29 2dk4 s PRO 42 Ca 0.57 1.51 0.09 0.00 0.04 0.00 0.00 61.00 63.21 2dk4 s PRO 42 Cb -0.13 -3.83 0.98 0.00 0.04 0.00 0.00 34.50 31.56 2dk4 s PRO 42 CO 0.55 -0.91 1.58 -0.84 0.04 0.00 0.00 177.00 177.42 2dk4 h ILE 43 N 5.72 0.05 -2.92 0.56 3.07 -1.91 -3.37 117.51 118.71 2dk4 h ILE 43 Ca -0.27 -0.01 -0.18 0.00 1.55 0.00 0.00 64.86 65.94 2dk4 h ILE 43 Cb 1.11 0.01 -0.30 0.00 -0.27 0.00 0.00 36.82 37.37 2dk4 h ILE 43 CO 1.00 0.01 -0.46 -0.60 -1.05 0.00 0.00 178.15 177.04 2dk4 s ARG 44 N -5.81 0.23 0.77 0.16 6.06 -1.26 -4.87 118.95 114.22 2dk4 s ARG 44 Ca -0.11 0.62 -0.11 0.00 -2.50 0.00 0.00 55.73 53.64 2dk4 s ARG 44 Cb 0.31 -0.08 0.07 0.00 0.06 0.00 0.00 34.95 35.30 2dk4 s ARG 44 CO 0.78 -0.19 1.13 -0.51 -2.50 0.00 0.00 175.30 174.01 2dk4 s LEU 45 N 1.53 2.64 -0.69 -0.88 1.43 -1.26 -4.96 118.68 116.49 2dk4 s LEU 45 Ca -0.07 0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 53.50 2dk4 s LEU 45 Cb -0.10 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.82 2dk4 s LEU 45 CO -0.09 -1.75 1.46 0.12 0.23 0.00 0.00 176.35 176.31 2dk4 s PHE 46 N -3.46 2.11 0.00 0.29 2.19 -1.26 -2.53 117.98 115.32 2dk4 s PHE 46 Ca 0.61 0.23 0.00 0.00 0.33 0.00 0.00 56.93 58.10 2dk4 s PHE 46 Cb -0.11 -4.46 0.00 0.00 -1.31 0.00 0.00 43.02 37.15 2dk4 s PHE 46 CO 0.48 -2.13 0.00 0.41 1.83 0.00 0.00 175.22 175.81 2dk4 n GLY 47 N 5.46 2.51 3.75 13.12 0.00 -1.26 -5.09 105.19 123.69 2dk4 n GLY 47 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2dk4 n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk4 s GLU 48 N -0.40 2.37 0.30 1.61 2.02 -1.05 -5.05 118.70 118.51 2dk4 s GLU 48 Ca 0.00 1.38 0.11 0.00 0.02 0.00 0.00 54.97 56.48 2dk4 s GLU 48 Cb 0.00 -1.90 -0.05 0.00 0.10 0.00 0.00 34.13 32.28 2dk4 s GLU 48 CO 0.00 -1.58 -0.15 -0.08 0.02 0.00 0.00 175.26 173.47 2dk4 s THR 49 N -2.50 2.45 0.34 3.63 -1.32 -1.26 -4.79 115.64 112.19 2dk4 s THR 49 Ca 0.66 -2.30 0.12 0.00 -1.21 0.00 0.00 61.69 58.96 2dk4 s THR 49 Cb -0.21 -2.46 0.38 0.00 -1.51 0.00 0.00 72.50 68.70 2dk4 s THR 49 CO 0.48 -0.32 1.58 0.44 -2.21 0.00 0.00 174.62 174.58 2dk4 h ASP 50 N 2.15 -0.06 0.65 8.08 3.32 -1.98 0.32 116.42 128.91 2dk4 h ASP 50 Ca -0.41 0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2dk4 h ASP 50 Cb 1.26 0.37 0.01 0.00 0.22 0.00 0.00 39.33 41.19 2dk4 h ASP 50 CO 0.64 -0.40 -0.31 0.22 -1.72 0.00 0.00 179.24 177.66 2dk4 h TYR 51 N 0.01 -0.82 -0.41 4.55 5.03 -1.97 0.55 116.97 123.90 2dk4 h TYR 51 Ca 0.73 -0.02 0.07 0.00 2.58 0.00 0.00 58.73 62.09 2dk4 h TYR 51 Cb 1.77 0.27 -0.09 0.00 1.55 0.00 0.00 36.73 40.23 2dk4 h TYR 51 CO -0.24 -0.51 -0.44 0.22 -1.32 0.00 0.00 178.16 175.87 2dk4 h ASP 52 N -0.94 -1.46 -0.36 -2.11 1.82 -1.12 1.18 116.42 113.43 2dk4 h ASP 52 Ca -0.09 0.22 0.07 0.00 -0.39 0.00 0.00 57.03 56.84 2dk4 h ASP 52 Cb 0.67 0.64 -0.06 0.00 0.68 0.00 0.00 39.33 41.26 2dk4 h ASP 52 CO 0.15 -0.37 -0.05 0.00 -1.61 0.00 0.00 179.24 177.36 2dk4 h ALA 53 N 0.40 0.28 0.54 -0.78 0.00 -0.51 0.42 119.26 119.62 2dk4 h ALA 53 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2dk4 h ALA 53 Cb 0.58 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2dk4 h ALA 53 CO -0.58 -0.43 -0.40 0.35 0.00 0.00 0.00 179.25 178.19 2dk4 h PHE 54 N 0.05 -1.08 -0.58 0.00 3.57 0.24 -2.33 116.94 116.82 2dk4 h PHE 54 Ca 0.18 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.79 2dk4 h PHE 54 Cb 0.26 0.40 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2dk4 h PHE 54 CO -0.29 -0.57 -0.07 1.96 -2.23 0.00 0.00 178.31 177.11 2dk4 h GLN 55 N -0.90 0.05 -0.68 1.11 1.08 0.16 0.25 115.11 116.18 2dk4 h GLN 55 Ca -0.07 -0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2dk4 h GLN 55 Cb 0.74 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.06 2dk4 h GLN 55 CO 0.03 0.04 -0.56 -0.09 -0.95 0.00 0.00 178.83 177.29 2dk4 h ARG 56 N 0.06 -0.21 0.12 1.46 2.43 0.07 0.28 114.38 118.58 2dk4 h ARG 56 Ca 0.29 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2dk4 h ARG 56 Cb 0.46 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2dk4 h ARG 56 CO -0.54 -0.14 -0.06 1.25 -1.51 0.00 0.00 179.97 178.97 2dk4 h LEU 57 N -0.22 -0.13 -1.44 3.80 7.12 -0.75 0.62 115.31 124.31 2dk4 h LEU 57 Ca 0.12 -0.05 0.21 0.00 0.13 0.00 0.00 57.88 58.29 2dk4 h LEU 57 Cb 0.52 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.65 2dk4 h LEU 57 CO -0.75 -0.04 0.86 -0.09 -0.13 0.00 0.00 178.44 178.29 2dk4 h ARG 58 N -0.22 0.00 0.06 1.25 1.12 0.11 1.60 114.38 118.30 2dk4 h ARG 58 Ca -0.02 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.51 2dk4 h ARG 58 Cb 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.09 2dk4 h ARG 58 CO 0.03 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.07 2dk4 n LYS 59 N -3.39 0.70 -0.13 0.20 3.00 0.84 -3.84 118.16 115.53 2dk4 n LYS 59 Ca 0.15 0.24 -0.08 0.00 -0.00 0.00 0.00 58.31 58.61 2dk4 n LYS 59 Cb 1.10 -1.70 -0.00 0.00 0.00 0.00 0.00 35.03 34.43 2dk4 n LYS 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2dk4 h ILE 60 N 0.03 1.15 -0.90 3.15 2.04 0.43 -1.59 117.51 121.82 2dk4 h ILE 60 Ca -0.41 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.19 2dk4 h ILE 60 Cb 2.03 0.65 -0.08 0.00 -0.74 0.00 0.00 36.82 38.69 2dk4 h ILE 60 CO 0.06 0.15 0.54 -0.33 0.00 0.00 0.00 178.15 178.57 2dk4 h GLU 61 N 0.53 0.86 0.49 2.37 4.39 -0.60 -1.53 114.58 121.09 2dk4 h GLU 61 Ca 0.14 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dk4 h GLU 61 Cb 0.04 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 2dk4 h GLU 61 CO -0.02 0.57 -0.23 0.82 -1.16 0.00 0.00 179.01 178.98 2dk4 h ILE 62 N 0.89 0.52 -0.30 3.13 2.04 -1.51 -3.15 117.51 119.13 2dk4 h ILE 62 Ca 0.44 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.25 2dk4 h ILE 62 Cb 0.40 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 2dk4 h ILE 62 CO -0.25 0.01 -0.32 -0.07 0.00 0.00 0.00 178.15 177.52 2dk4 h LEU 63 N -0.70 -1.09 -9.13 1.44 3.38 -0.58 -3.41 115.31 105.21 2dk4 h LEU 63 Ca -0.07 0.15 -0.63 0.00 0.09 0.00 0.00 57.88 57.42 2dk4 h LEU 63 Cb 0.52 0.45 0.14 0.00 0.09 0.00 0.00 40.66 41.87 2dk4 h LEU 63 CO 0.11 -0.21 -0.62 0.41 0.09 0.00 0.00 178.44 178.22 2dk4 n THR 64 N -4.23 1.39 -0.22 0.22 -1.04 -0.64 -4.96 114.28 104.80 2dk4 n THR 64 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2dk4 n THR 64 Cb 0.18 -0.23 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 2dk4 n THR 64 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2dk4 n PRO 65 N 0.99 0.57 -1.46 -2.82 -0.04 -1.26 -4.92 135.00 126.05 2dk4 n PRO 65 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2dk4 n PRO 65 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2dk4 n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dk4 n GLU 66 N -0.36 -4.16 -3.66 0.54 1.02 -1.26 -4.78 120.64 107.98 2dk4 n GLU 66 Ca 0.00 3.05 -0.29 0.00 -0.02 0.00 0.00 57.16 59.90 2dk4 n GLU 66 Cb 0.00 -3.40 0.01 0.00 -0.02 0.00 0.00 31.44 28.03 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2dk4 n VAL 67 N -0.35 -3.84 0.00 2.62 0.31 -1.26 -4.96 118.33 110.85 2dk4 n VAL 67 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2dk4 n VAL 67 Cb 0.00 -3.33 0.00 0.00 -0.91 0.00 0.00 33.84 29.60 2dk4 n VAL 67 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2dk4 n ASN 68 N -1.68 0.00 -3.69 4.52 2.85 -1.26 -5.05 115.26 110.96 2dk4 n ASN 68 Ca -0.22 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.84 2dk4 n ASN 68 Cb 0.68 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.72 2dk4 n ASN 68 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2dk4 n LYS 69 N -0.12 5.10 0.00 1.20 2.85 -1.26 -4.86 118.16 121.07 2dk4 n LYS 69 Ca 0.00 -4.43 0.00 0.00 -1.05 0.00 0.00 58.31 52.83 2dk4 n LYS 69 Cb 0.00 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 31.86 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2dk4 n GLY 70 N 0.54 -0.74 1.40 2.58 0.00 -1.26 -5.02 105.19 102.69 2dk4 n GLY 70 Ca 0.45 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.64 2dk4 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk4 n SER 71 N 0.00 -7.80 0.00 1.61 3.41 -1.26 -4.96 113.62 104.61 2dk4 n SER 71 Ca 0.00 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 2dk4 n SER 71 Cb 0.00 -4.67 0.00 0.00 -0.26 0.00 0.00 64.21 59.28 2dk4 n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk4 n GLY 72 N -4.23 -0.41 3.77 5.00 0.00 -1.26 -4.92 105.19 103.14 2dk4 n GLY 72 Ca -0.06 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2dk4 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk4 s PRO 73 N 0.00 0.03 0.16 1.61 0.04 -1.26 -5.04 135.00 130.53 2dk4 s PRO 73 Ca 0.00 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.91 2dk4 s PRO 73 Cb 0.00 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.79 2dk4 s PRO 73 CO 0.00 -2.87 0.00 0.45 0.04 0.00 0.00 177.00 174.62 2dk4 n SER 74 N -4.15 0.42 -4.88 6.66 2.88 -1.26 -5.09 113.62 108.21 2dk4 n SER 74 Ca 0.13 0.26 -0.31 0.00 -1.33 0.00 0.00 58.87 57.62 2dk4 n SER 74 Cb 0.59 0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 64.03 2dk4 n SER 74 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk4 s SER 75 N -5.44 6.58 0.00 -3.46 0.15 -1.26 -5.23 113.70 105.04 2dk4 s SER 75 Ca 0.00 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.68 2dk4 s SER 75 Cb 0.00 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 2dk4 s SER 75 CO 0.00 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81