#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk4 n SER 2 N 0.00 0.00 -3.64 1.61 3.41 -1.26 -5.19 113.62 108.55 2dk4 n SER 2 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2dk4 n SER 2 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dk4 s SER 3 N 0.00 -0.07 0.00 4.04 0.01 -1.26 -5.19 113.70 111.23 2dk4 s SER 3 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2dk4 s SER 3 Cb 0.00 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.55 2dk4 s SER 3 CO 0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.65 2dk4 n GLY 4 N -0.58 1.50 3.57 3.44 0.00 -1.26 -5.19 105.19 106.68 2dk4 n GLY 4 Ca -0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2dk4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk4 s SER 5 N 0.00 -0.28 0.00 1.61 0.15 -1.26 -5.18 113.70 108.74 2dk4 s SER 5 Ca 0.00 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2dk4 s SER 5 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dk4 s SER 5 CO 0.00 -0.35 0.00 -1.20 1.20 0.00 0.00 173.24 172.89 2dk4 n SER 6 N 0.29 0.00 -3.20 5.45 7.64 -1.26 -5.16 113.62 117.37 2dk4 n SER 6 Ca -0.06 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.86 2dk4 n SER 6 Cb 0.59 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2dk4 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk4 s GLY 7 N 0.00 -0.10 0.27 0.23 0.00 -1.26 -5.17 107.32 101.30 2dk4 s GLY 7 Ca 0.00 3.13 -0.10 0.00 0.00 0.00 0.00 44.72 47.74 2dk4 s GLY 7 CO 0.00 3.63 0.61 -0.51 0.00 0.00 0.00 173.10 176.84 2dk4 s THR 8 N 2.64 4.87 -0.27 0.90 -4.23 -1.26 -5.08 115.64 113.21 2dk4 s THR 8 Ca -0.03 0.55 -0.28 0.00 -1.18 0.00 0.00 61.69 60.76 2dk4 s THR 8 Cb -0.07 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.31 2dk4 s THR 8 CO -0.13 -0.17 1.30 -0.94 -0.54 0.00 0.00 174.62 174.14 2dk4 s SER 9 N -2.50 -0.14 -0.27 3.99 1.04 -1.26 -5.18 113.70 109.38 2dk4 s SER 9 Ca 0.49 0.20 -0.28 0.00 0.48 0.00 0.00 55.95 56.84 2dk4 s SER 9 Cb -0.11 0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.38 2dk4 s SER 9 CO 0.22 -0.09 1.32 -0.55 0.98 0.00 0.00 173.24 175.12 2dk4 s SER 10 N -0.56 -0.09 0.09 7.02 0.15 -1.26 -5.18 113.70 113.86 2dk4 s SER 10 Ca 0.06 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.90 2dk4 s SER 10 Cb -0.03 0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.35 2dk4 s SER 10 CO -0.09 -0.07 -0.18 0.21 1.20 0.00 0.00 173.24 174.31 2dk4 s ASN 11 N -0.79 2.15 0.06 5.45 3.84 -1.26 -5.05 114.94 119.34 2dk4 s ASN 11 Ca 0.07 -0.65 -0.15 0.00 0.21 0.00 0.00 52.86 52.34 2dk4 s ASN 11 Cb -0.02 -0.10 -0.21 0.00 -0.55 0.00 0.00 41.25 40.37 2dk4 s ASN 11 CO -0.08 0.00 1.20 1.55 -2.79 0.00 0.00 177.10 176.98 2dk4 h PRO 12 N 4.19 0.64 -6.99 0.43 0.13 -2.09 -3.47 132.00 124.85 2dk4 h PRO 12 Ca -0.44 -0.63 -0.61 0.00 -0.87 0.00 0.00 66.00 63.46 2dk4 h PRO 12 Cb 1.18 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.39 2dk4 h PRO 12 CO 0.40 1.23 -1.00 1.55 -0.23 0.00 0.00 178.00 179.96 2dk4 n VAL 13 N -4.00 -2.12 -3.90 1.56 3.14 -1.26 -4.91 118.33 106.85 2dk4 n VAL 13 Ca -0.10 -0.57 -0.31 0.00 -2.96 0.00 0.00 64.34 60.41 2dk4 n VAL 13 Cb 0.77 -1.84 -0.15 0.00 -1.06 0.00 0.00 33.84 31.57 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2dk4 s LEU 14 N -7.44 3.71 -0.29 6.55 1.43 -1.26 -5.06 118.68 116.32 2dk4 s LEU 14 Ca 0.31 -1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 51.34 2dk4 s LEU 14 Cb -0.17 -1.32 0.13 0.00 0.03 0.00 0.00 46.19 44.86 2dk4 s LEU 14 CO 0.98 -0.39 0.81 -0.70 0.23 0.00 0.00 176.35 177.28 2dk4 s GLU 15 N 1.20 0.50 -0.24 1.70 2.12 -1.26 -5.13 118.70 117.58 2dk4 s GLU 15 Ca 0.10 1.07 -0.03 0.00 0.36 0.00 0.00 54.97 56.47 2dk4 s GLU 15 Cb -0.18 0.44 0.11 0.00 0.26 0.00 0.00 34.13 34.76 2dk4 s GLU 15 CO -0.15 -0.14 0.24 -0.51 -0.54 0.00 0.00 175.26 174.17 2dk4 s LEU 16 N 2.19 -0.11 -0.30 2.70 1.43 -1.26 -5.12 118.68 118.22 2dk4 s LEU 16 Ca -0.07 -0.50 -0.17 0.00 -1.03 0.00 0.00 54.13 52.36 2dk4 s LEU 16 Cb -0.07 0.38 0.19 0.00 0.03 0.00 0.00 46.19 46.72 2dk4 s LEU 16 CO -0.18 -0.36 1.20 -1.61 0.23 0.00 0.00 176.35 175.64 2dk4 s GLU 17 N 2.33 0.14 0.01 1.70 0.41 -1.26 -5.17 118.70 116.86 2dk4 s GLU 17 Ca 0.08 0.23 0.07 0.00 -0.41 0.00 0.00 54.97 54.93 2dk4 s GLU 17 Cb -0.15 0.03 -0.03 0.00 -1.78 0.00 0.00 34.13 32.20 2dk4 s GLU 17 CO -0.22 -0.03 -0.19 -0.51 -0.49 0.00 0.00 175.26 173.82 2dk4 s LEU 18 N 1.00 2.52 0.00 1.80 2.01 -1.26 -5.11 118.68 119.64 2dk4 s LEU 18 Ca -0.07 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 53.68 2dk4 s LEU 18 Cb -0.03 -1.48 0.00 0.00 0.01 0.00 0.00 46.19 44.69 2dk4 s LEU 18 CO -0.11 0.28 0.00 0.00 1.01 0.00 0.00 176.35 177.53 2dk4 n ALA 19 N 1.86 0.00 -2.44 4.21 0.00 -1.26 -5.04 120.51 117.84 2dk4 n ALA 19 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 2dk4 n ALA 19 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.86 -1.20 0.00 2.13 -1.26 -4.93 120.64 114.51 2dk4 n GLU 20 Ca 0.00 1.01 -0.28 0.00 0.66 0.00 0.00 57.16 58.55 2dk4 n GLU 20 Cb 0.00 -4.04 0.11 0.00 0.27 0.00 0.00 31.44 27.79 2dk4 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2dk4 n GLU 21 N -1.61 2.37 0.00 5.31 -0.58 -1.26 -4.94 120.64 119.93 2dk4 n GLU 21 Ca -0.01 -2.91 0.00 0.00 -0.42 0.00 0.00 57.16 53.83 2dk4 n GLU 21 Cb 0.51 -2.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2dk4 n GLU 21 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dk4 n LYS 22 N -0.85 0.84 -1.41 3.49 4.81 -1.26 -4.97 118.16 118.80 2dk4 n LYS 22 Ca 0.57 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 58.02 2dk4 n LYS 22 Cb 1.07 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 36.11 2dk4 n LYS 22 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dk4 n LEU 23 N 0.00 -1.47 0.00 3.14 4.77 -1.26 -4.97 117.00 117.21 2dk4 n LEU 23 Ca 0.00 2.54 0.00 0.00 -0.03 0.00 0.00 56.01 58.52 2dk4 n LEU 23 Cb 0.00 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.35 2dk4 n LEU 23 CO 0.00 -0.84 0.00 -0.81 -1.33 0.00 0.00 177.39 174.41 2dk4 n PRO 24 N -2.64 0.58 -1.56 3.23 -0.04 -1.26 -4.84 135.00 128.47 2dk4 n PRO 24 Ca -0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2dk4 n PRO 24 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.88 2dk4 n PRO 24 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 2dk4 n MET 25 N -0.35 1.26 0.03 0.54 1.56 -1.26 -4.79 117.12 114.12 2dk4 n MET 25 Ca 0.00 0.12 -0.21 0.00 -0.27 0.00 0.00 57.70 57.34 2dk4 n MET 25 Cb 0.00 -3.40 -0.14 0.00 2.15 0.00 0.00 33.22 31.83 2dk4 n MET 25 CO 0.00 0.00 0.00 1.79 -0.73 0.00 0.00 175.97 177.03 2dk4 h THR 26 N 7.58 1.24 -3.59 1.12 1.35 -1.95 -3.43 112.91 115.23 2dk4 h THR 26 Ca -0.28 -2.48 -0.70 0.00 -0.55 0.00 0.00 66.41 62.40 2dk4 h THR 26 Cb 1.26 2.93 -0.22 0.00 -1.73 0.00 0.00 68.15 70.40 2dk4 h THR 26 CO 1.11 0.72 -0.48 -0.76 -0.25 0.00 0.00 175.52 175.86 2dk4 s LEU 27 N -7.68 4.74 1.02 3.87 1.43 -1.26 -5.07 118.68 115.72 2dk4 s LEU 27 Ca -0.17 -0.78 -0.12 0.00 -1.03 0.00 0.00 54.13 52.03 2dk4 s LEU 27 Cb 0.03 -2.09 0.20 0.00 0.03 0.00 0.00 46.19 44.35 2dk4 s LEU 27 CO 0.80 -0.35 1.08 -0.44 0.23 0.00 0.00 176.35 177.67 2dk4 s SER 28 N 1.64 2.35 0.04 2.29 0.01 -1.26 -4.50 113.70 114.26 2dk4 s SER 28 Ca 0.04 1.43 -0.07 0.00 1.31 0.00 0.00 55.95 58.66 2dk4 s SER 28 Cb -0.18 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2dk4 s SER 28 CO 0.09 -3.34 0.96 -2.11 0.41 0.00 0.00 173.24 169.25 2dk4 n ARG 29 N -4.33 -0.10 -0.19 12.44 1.85 -1.26 0.26 116.66 125.33 2dk4 n ARG 29 Ca 0.05 0.96 -0.02 0.00 -1.00 0.00 0.00 57.85 57.84 2dk4 n ARG 29 Cb 0.55 -1.43 0.05 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.02 -0.21 2.89 4.15 -1.97 1.48 115.11 121.44 2dk4 h GLN 30 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.52 2dk4 h GLN 30 Cb 0.09 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2dk4 h GLN 30 CO -0.21 -0.01 0.31 1.49 -1.93 0.00 0.00 178.83 178.48 2dk4 h GLU 31 N -0.02 0.00 0.02 1.69 4.57 -0.49 0.94 114.58 121.29 2dk4 h GLU 31 Ca 0.27 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.11 2dk4 h GLU 31 Cb 0.43 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.97 2dk4 h GLU 31 CO -0.60 0.00 -2.08 0.28 -1.18 0.00 0.00 179.01 175.43 2dk4 n VAL 32 N -3.49 1.54 -0.05 0.32 0.31 0.35 -4.05 118.33 113.26 2dk4 n VAL 32 Ca 0.02 -0.78 -0.10 0.00 -0.01 0.00 0.00 64.34 63.48 2dk4 n VAL 32 Cb 0.43 -0.96 0.05 0.00 -0.91 0.00 0.00 33.84 32.45 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 1.29 0.17 2.52 2.04 0.49 -1.92 117.51 122.10 2dk4 h ILE 33 Ca -0.43 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 63.84 2dk4 h ILE 33 Cb 2.09 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 2dk4 h ILE 33 CO 0.04 0.51 -0.27 -0.09 0.00 0.00 0.00 178.15 178.34 2dk4 h ARG 34 N 0.59 -0.45 0.41 2.37 2.43 0.56 0.38 114.38 120.66 2dk4 h ARG 34 Ca 0.05 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 2dk4 h ARG 34 Cb 0.95 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 2dk4 h ARG 34 CO 0.09 -0.30 -0.37 0.00 -1.51 0.00 0.00 179.97 177.88 2dk4 h ARG 35 N -0.47 -0.74 -0.99 0.20 3.08 -1.70 -0.78 114.38 112.99 2dk4 h ARG 35 Ca -0.02 0.05 0.31 0.00 0.07 0.00 0.00 59.98 60.39 2dk4 h ARG 35 Cb 0.43 0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.46 2dk4 h ARG 35 CO -0.09 -0.49 0.16 1.28 -1.07 0.00 0.00 179.97 179.75 2dk4 n LEU 36 N -4.64 0.01 0.37 3.04 4.77 -0.72 0.19 117.00 120.01 2dk4 n LEU 36 Ca -0.09 1.67 -0.16 0.00 -0.03 0.00 0.00 56.01 57.40 2dk4 n LEU 36 Cb 0.34 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 2dk4 n LEU 36 CO 0.20 -1.74 0.53 0.03 -1.33 0.00 0.00 177.39 175.08 2dk4 h ARG 37 N 0.00 -0.96 -0.63 3.23 3.08 0.50 0.27 114.38 119.86 2dk4 h ARG 37 Ca 0.66 0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.85 2dk4 h ARG 37 Cb 1.50 0.22 -0.04 0.00 0.08 0.00 0.00 29.97 31.73 2dk4 h ARG 37 CO -0.89 -0.64 0.41 1.05 -1.07 0.00 0.00 179.97 178.84 2dk4 h GLU 38 N -1.00 0.56 0.00 0.04 4.11 0.94 0.35 114.58 119.57 2dk4 h GLU 38 Ca -0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.30 2dk4 h GLU 38 Cb 0.79 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dk4 h GLU 38 CO 0.11 0.37 0.00 0.00 0.07 0.00 0.00 179.01 179.56 2dk4 h ARG 39 N 0.57 0.00 0.00 1.06 2.47 0.24 -3.45 114.38 115.27 2dk4 h ARG 39 Ca 0.28 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 2dk4 h ARG 39 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 2dk4 h ARG 39 CO -0.08 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.86 2dk4 n GLY 40 N -0.38 0.76 3.90 0.04 0.00 0.12 -5.04 105.19 104.59 2dk4 n GLY 40 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.32 3.61 -0.12 1.61 2.02 0.77 -4.99 118.70 121.28 2dk4 s GLU 41 Ca 0.00 0.31 -0.30 0.00 0.02 0.00 0.00 54.97 55.01 2dk4 s GLU 41 Cb 0.00 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.85 2dk4 s GLU 41 CO 0.00 -0.18 1.25 -1.25 0.02 0.00 0.00 175.26 175.10 2dk4 s PRO 42 N -4.53 4.28 0.41 0.39 0.04 -1.26 -4.12 135.00 130.21 2dk4 s PRO 42 Ca 0.49 1.69 0.16 0.00 0.04 0.00 0.00 61.00 63.38 2dk4 s PRO 42 Cb -0.10 -3.69 1.05 0.00 0.04 0.00 0.00 34.50 31.80 2dk4 s PRO 42 CO 0.42 -0.61 1.87 -0.84 0.04 0.00 0.00 177.00 177.88 2dk4 h ILE 43 N 5.30 0.71 -3.69 0.56 3.07 -1.92 -3.39 117.51 118.15 2dk4 h ILE 43 Ca -0.30 -0.15 -0.49 0.00 1.55 0.00 0.00 64.86 65.47 2dk4 h ILE 43 Cb 1.13 0.24 -0.32 0.00 -0.27 0.00 0.00 36.82 37.60 2dk4 h ILE 43 CO 0.93 0.08 -0.81 -0.60 -1.05 0.00 0.00 178.15 176.71 2dk4 s ARG 44 N -5.45 1.42 0.25 0.16 3.00 -1.26 -4.85 118.95 112.21 2dk4 s ARG 44 Ca -0.08 -0.42 -0.03 0.00 -1.00 0.00 0.00 55.73 54.20 2dk4 s ARG 44 Cb 0.22 -1.24 0.05 0.00 0.00 0.00 0.00 34.95 33.99 2dk4 s ARG 44 CO 0.78 0.11 0.33 1.28 0.00 0.00 0.00 175.30 177.81 2dk4 n LEU 45 N 3.45 0.00 -4.04 -0.88 4.77 -1.26 -4.90 117.00 114.14 2dk4 n LEU 45 Ca -0.20 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.94 2dk4 n LEU 45 Cb 0.53 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2dk4 n LEU 45 CO 0.25 -0.72 2.22 0.49 -1.33 0.00 0.00 177.39 178.29 2dk4 n PHE 46 N -2.32 3.35 -0.63 -1.77 3.72 -1.26 -3.56 117.46 114.99 2dk4 n PHE 46 Ca 0.04 -2.47 0.00 0.00 -0.05 0.00 0.00 57.45 54.97 2dk4 n PHE 46 Cb 0.16 -2.40 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dk4 n GLY 47 N 4.76 0.51 3.88 1.37 0.00 -1.26 -5.11 105.19 109.34 2dk4 n GLY 47 Ca 0.50 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.73 2.85 0.29 1.61 2.02 -1.23 -5.13 118.70 118.37 2dk4 s GLU 48 Ca 0.00 -1.19 0.10 0.00 0.02 0.00 0.00 54.97 53.90 2dk4 s GLU 48 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.62 2dk4 s GLU 48 CO 0.00 0.14 -0.07 -0.08 0.02 0.00 0.00 175.26 175.28 2dk4 s THR 49 N -2.25 2.94 0.26 3.63 -1.32 -1.26 -4.85 115.64 112.79 2dk4 s THR 49 Ca 0.40 -2.10 -0.12 0.00 -1.21 0.00 0.00 61.69 58.67 2dk4 s THR 49 Cb -0.07 -2.65 0.37 0.00 -1.51 0.00 0.00 72.50 68.65 2dk4 s THR 49 CO 0.27 -0.35 1.56 0.44 -2.21 0.00 0.00 174.62 174.33 2dk4 h ASP 50 N 2.00 -1.10 0.54 8.08 3.32 -1.98 0.63 116.42 127.90 2dk4 h ASP 50 Ca -0.42 0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 2dk4 h ASP 50 Cb 1.25 0.66 -0.01 0.00 0.22 0.00 0.00 39.33 41.45 2dk4 h ASP 50 CO 0.62 -0.31 -0.40 0.22 -1.72 0.00 0.00 179.24 177.65 2dk4 h TYR 51 N -0.00 -1.07 -0.39 4.55 3.20 -1.97 0.64 116.97 121.92 2dk4 h TYR 51 Ca 0.42 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.35 2dk4 h TYR 51 Cb 0.67 0.40 -0.09 0.00 1.54 0.00 0.00 36.73 39.25 2dk4 h TYR 51 CO -0.80 -0.56 -0.46 0.22 -1.64 0.00 0.00 178.16 174.92 2dk4 h ASP 52 N -0.89 -1.53 -0.39 -2.11 1.82 -1.36 1.47 116.42 113.42 2dk4 h ASP 52 Ca -0.07 0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 2dk4 h ASP 52 Cb 0.74 0.66 -0.08 0.00 0.68 0.00 0.00 39.33 41.33 2dk4 h ASP 52 CO 0.03 -0.38 -0.12 0.00 -1.61 0.00 0.00 179.24 177.16 2dk4 h ALA 53 N 0.29 0.23 0.38 -0.78 0.00 0.27 0.74 119.26 120.39 2dk4 h ALA 53 Ca 0.12 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2dk4 h ALA 53 Cb 0.59 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2dk4 h ALA 53 CO -0.57 -0.48 -0.28 0.35 0.00 0.00 0.00 179.25 178.27 2dk4 h PHE 54 N -0.03 -0.75 -0.82 0.00 3.57 0.26 -1.93 116.94 117.23 2dk4 h PHE 54 Ca 0.19 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.79 2dk4 h PHE 54 Cb 0.32 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 2dk4 h PHE 54 CO -0.37 -0.43 0.54 1.96 -2.23 0.00 0.00 178.31 177.78 2dk4 h GLN 55 N -0.66 0.74 0.48 1.11 1.08 0.26 0.23 115.11 118.35 2dk4 h GLN 55 Ca -0.03 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2dk4 h GLN 55 Cb 0.57 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2dk4 h GLN 55 CO 0.00 0.49 -0.46 -0.09 -0.95 0.00 0.00 178.83 177.82 2dk4 h ARG 56 N 0.76 -0.91 0.05 1.46 2.43 0.11 -1.07 114.38 117.20 2dk4 h ARG 56 Ca 0.38 0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2dk4 h ARG 56 Cb 0.46 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2dk4 h ARG 56 CO -0.15 -0.61 -0.02 1.25 -1.51 0.00 0.00 179.97 178.92 2dk4 h LEU 57 N -0.95 -0.05 -1.42 3.80 7.12 -0.83 0.02 115.31 123.00 2dk4 h LEU 57 Ca -0.05 -0.07 0.20 0.00 0.13 0.00 0.00 57.88 58.08 2dk4 h LEU 57 Cb 0.83 0.01 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 2dk4 h LEU 57 CO -0.05 0.04 0.86 -0.09 -0.13 0.00 0.00 178.44 179.06 2dk4 h ARG 58 N -0.14 0.00 0.05 1.25 1.12 -0.37 1.64 114.38 117.93 2dk4 h ARG 58 Ca -0.01 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.52 2dk4 h ARG 58 Cb 0.12 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 2dk4 h ARG 58 CO 0.01 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.05 2dk4 n LYS 59 N -3.36 0.69 -0.13 0.20 4.81 -0.42 -3.90 118.16 116.06 2dk4 n LYS 59 Ca 0.14 0.23 -0.09 0.00 -0.87 0.00 0.00 58.31 57.73 2dk4 n LYS 59 Cb 1.08 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 34.43 2dk4 n LYS 59 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2dk4 h ILE 60 N 0.03 1.15 -0.83 3.15 2.04 0.41 -1.82 117.51 121.63 2dk4 h ILE 60 Ca -0.40 -0.39 0.13 0.00 1.00 0.00 0.00 64.86 65.19 2dk4 h ILE 60 Cb 2.04 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.76 2dk4 h ILE 60 CO 0.06 0.15 0.54 -0.33 0.00 0.00 0.00 178.15 178.58 2dk4 h GLU 61 N 0.49 0.65 -0.09 2.37 4.39 -0.63 0.94 114.58 122.69 2dk4 h GLU 61 Ca 0.14 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2dk4 h GLU 61 Cb 0.06 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2dk4 h GLU 61 CO -0.02 0.43 0.03 0.82 -1.16 0.00 0.00 179.01 179.10 2dk4 h ILE 62 N 0.66 1.18 0.33 3.13 2.04 -1.47 -3.30 117.51 120.08 2dk4 h ILE 62 Ca 0.40 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2dk4 h ILE 62 Cb 0.64 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2dk4 h ILE 62 CO -0.17 0.16 -0.16 0.25 0.00 0.00 0.00 178.15 178.23 2dk4 h LEU 63 N -0.04 -0.38 -8.32 1.44 5.85 -0.50 -3.45 115.31 109.91 2dk4 h LEU 63 Ca 0.03 0.01 -0.58 0.00 0.84 0.00 0.00 57.88 58.18 2dk4 h LEU 63 Cb 0.22 0.10 0.14 0.00 0.37 0.00 0.00 40.66 41.49 2dk4 h LEU 63 CO -0.00 -0.16 -0.84 0.41 -0.34 0.00 0.00 178.44 177.51 2dk4 n THR 64 N -3.80 0.71 0.05 1.05 -1.04 0.31 -4.91 114.28 106.66 2dk4 n THR 64 Ca -0.06 -0.46 -0.08 0.00 -2.04 0.00 0.00 64.05 61.41 2dk4 n THR 64 Cb 0.18 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.63 2dk4 n THR 64 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2dk4 h PRO 65 N 0.36 -0.23 -6.06 -2.82 0.13 -1.87 -3.44 132.00 118.07 2dk4 h PRO 65 Ca -0.33 0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.23 2dk4 h PRO 65 Cb 1.34 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2dk4 h PRO 65 CO 0.44 0.08 1.44 -1.91 -0.23 0.00 0.00 178.00 177.82 2dk4 n GLU 66 N -4.92 2.10 -3.52 0.86 2.13 -1.26 -4.90 120.64 111.12 2dk4 n GLU 66 Ca -0.06 0.62 -0.29 0.00 0.66 0.00 0.00 57.16 58.10 2dk4 n GLU 66 Cb 0.21 -3.16 -0.12 0.00 0.27 0.00 0.00 31.44 28.64 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dk4 s VAL 67 N 7.52 0.49 -0.72 6.31 1.01 -1.26 -4.99 120.40 128.76 2dk4 s VAL 67 Ca 0.99 -2.03 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 2dk4 s VAL 67 Cb -0.38 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 34.69 2dk4 s VAL 67 CO 0.37 -0.99 1.18 0.21 0.00 0.00 0.00 175.10 175.87 2dk4 s ASN 68 N 0.77 6.16 0.00 3.32 3.84 -1.26 -5.00 114.94 122.78 2dk4 s ASN 68 Ca 0.20 -0.62 -0.02 0.00 0.21 0.00 0.00 52.86 52.63 2dk4 s ASN 68 Cb -0.20 -2.52 -0.04 0.00 -0.55 0.00 0.00 41.25 37.94 2dk4 s ASN 68 CO -0.02 -1.72 0.15 -0.75 -2.79 0.00 0.00 177.10 171.98 2dk4 s LYS 69 N 5.21 3.31 0.08 0.43 2.20 -1.26 -5.09 119.74 124.62 2dk4 s LYS 69 Ca 0.31 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 55.35 2dk4 s LYS 69 Cb -0.11 -3.01 -0.07 0.00 -1.51 0.00 0.00 37.83 33.14 2dk4 s LYS 69 CO 0.13 0.66 0.54 0.20 -0.36 0.00 0.00 175.35 176.52 2dk4 s GLY 70 N -1.96 2.60 0.43 5.54 0.00 -1.26 -4.92 107.32 107.74 2dk4 s GLY 70 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.95 2dk4 s GLY 70 CO 0.18 0.34 0.00 -1.26 0.00 0.00 0.00 173.10 172.37 2dk4 n SER 71 N 1.54 -7.20 0.00 1.64 2.88 -1.26 -5.00 113.62 106.23 2dk4 n SER 71 Ca -0.10 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2dk4 n SER 71 Cb 0.51 -3.98 0.00 0.00 -0.75 0.00 0.00 64.21 59.99 2dk4 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk4 n GLY 72 N -4.02 3.17 3.81 0.46 0.00 -1.26 -5.10 105.19 102.24 2dk4 n GLY 72 Ca -0.04 -2.02 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 2.67 3.46 -0.12 1.61 0.04 -1.26 -4.65 135.00 136.76 2dk4 s PRO 73 Ca 0.00 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 62.15 2dk4 s PRO 73 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.52 2dk4 s PRO 73 CO 0.00 -0.70 0.17 0.43 0.04 0.00 0.00 177.00 176.95 2dk4 n SER 74 N -1.83 -3.33 -0.04 6.66 7.64 -1.26 -5.03 113.62 116.43 2dk4 n SER 74 Ca 0.09 1.53 -0.07 0.00 1.01 0.00 0.00 58.87 61.43 2dk4 n SER 74 Cb 0.53 -5.29 -0.02 0.00 -1.01 0.00 0.00 64.21 58.41 2dk4 n SER 74 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk4 n SER 75 N 1.77 1.44 0.00 6.43 7.64 -1.26 -5.20 113.62 124.44 2dk4 n SER 75 Ca -0.29 0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2dk4 n SER 75 Cb 0.45 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64