#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 -0.12 0.12 1.61 1.04 -1.26 -5.19 113.70 109.91 2dk4 s SER 2 Ca 0.00 0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 2dk4 s SER 2 Cb 0.00 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 2dk4 s SER 2 CO 0.00 -0.11 0.06 -0.55 0.98 0.00 0.00 173.24 173.62 2dk4 s SER 3 N -1.05 0.31 -0.03 7.02 0.15 -1.26 -5.17 113.70 113.68 2dk4 s SER 3 Ca 0.06 -1.16 -0.10 0.00 0.70 0.00 0.00 55.95 55.46 2dk4 s SER 3 Cb -0.01 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 2dk4 s SER 3 CO -0.05 -0.73 0.43 0.61 1.20 0.00 0.00 173.24 174.70 2dk4 n GLY 4 N -0.08 0.32 2.00 9.45 0.00 -1.26 -5.10 105.19 110.53 2dk4 n GLY 4 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2dk4 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk4 n SER 5 N -0.33 -0.23 -1.78 1.61 2.88 -1.26 -5.15 113.62 109.36 2dk4 n SER 5 Ca 0.02 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2dk4 n SER 5 Cb 0.18 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 2dk4 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dk4 n SER 6 N -3.36 -7.38 0.00 -3.46 2.88 -1.26 -5.09 113.62 95.95 2dk4 n SER 6 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2dk4 n SER 6 Cb 0.00 -4.10 0.00 0.00 -0.75 0.00 0.00 64.21 59.36 2dk4 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk4 n GLY 7 N 1.42 1.63 2.97 0.46 0.00 -1.26 -5.08 105.19 105.32 2dk4 n GLY 7 Ca 0.00 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2dk4 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dk4 s THR 8 N 1.56 2.62 -0.39 2.61 -4.23 -1.26 -4.95 115.64 111.60 2dk4 s THR 8 Ca 0.00 -3.19 -0.01 0.00 -1.18 0.00 0.00 61.69 57.31 2dk4 s THR 8 Cb 0.00 -2.83 0.19 0.00 1.34 0.00 0.00 72.50 71.21 2dk4 s THR 8 CO 0.00 -0.78 0.89 -0.55 -0.54 0.00 0.00 174.62 173.64 2dk4 s SER 9 N -0.09 -0.85 0.00 3.99 0.15 -1.26 -5.04 113.70 110.60 2dk4 s SER 9 Ca 0.16 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.15 2dk4 s SER 9 Cb -0.25 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.16 2dk4 s SER 9 CO -0.01 -0.07 0.00 -1.20 1.20 0.00 0.00 173.24 173.16 2dk4 n SER 10 N 3.50 0.00 -4.48 5.45 7.64 -1.26 -5.08 113.62 119.39 2dk4 n SER 10 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 2dk4 n SER 10 Cb 0.61 0.06 -0.14 0.00 -1.01 0.00 0.00 64.21 63.72 2dk4 n SER 10 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2dk4 n ASN 11 N -1.31 0.39 0.08 6.43 6.94 -1.26 -4.72 115.26 121.81 2dk4 n ASN 11 Ca 0.00 0.21 -0.08 0.00 -0.02 0.00 0.00 54.58 54.70 2dk4 n ASN 11 Cb 0.00 -0.94 0.02 0.00 -2.36 0.00 0.00 39.78 36.51 2dk4 n ASN 11 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2dk4 h PRO 12 N 11.89 0.21 -5.97 -0.53 0.13 -2.04 -3.44 132.00 132.25 2dk4 h PRO 12 Ca -0.06 -0.20 -0.61 0.00 -0.87 0.00 0.00 66.00 64.25 2dk4 h PRO 12 Cb 1.32 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 2dk4 h PRO 12 CO 1.35 0.91 -0.29 0.54 -0.23 0.00 0.00 178.00 180.28 2dk4 s VAL 13 N -3.34 5.17 -0.40 1.56 0.11 -1.26 -5.03 120.40 117.21 2dk4 s VAL 13 Ca -0.03 0.49 0.08 0.00 -2.93 0.00 0.00 61.98 59.59 2dk4 s VAL 13 Cb 0.11 -3.62 0.25 0.00 -1.53 0.00 0.00 36.38 31.59 2dk4 s VAL 13 CO 0.82 0.44 0.54 -0.11 -3.33 0.00 0.00 175.10 173.46 2dk4 n LEU 14 N 1.39 0.30 -4.08 2.54 -0.00 -1.26 -5.10 117.00 110.79 2dk4 n LEU 14 Ca -0.12 -4.73 -0.15 0.00 -0.00 0.00 0.00 56.01 51.01 2dk4 n LEU 14 Cb 0.53 0.61 -0.12 0.00 -0.00 0.00 0.00 43.42 44.43 2dk4 n LEU 14 CO 0.39 2.08 -0.42 -1.61 -0.00 0.00 0.00 177.39 177.83 2dk4 s GLU 15 N -1.27 0.62 0.00 1.96 0.41 -1.26 -5.15 118.70 114.01 2dk4 s GLU 15 Ca 0.35 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.19 2dk4 s GLU 15 Cb 0.18 -0.49 0.00 0.00 -1.78 0.00 0.00 34.13 32.04 2dk4 s GLU 15 CO -0.11 0.11 0.00 1.47 -0.49 0.00 0.00 175.26 176.24 2dk4 n LEU 16 N 1.66 0.00 -2.73 1.80 -0.00 -1.26 -5.06 117.00 111.41 2dk4 n LEU 16 Ca -0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.76 2dk4 n LEU 16 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.94 2dk4 n LEU 16 CO 0.22 0.00 -0.52 -0.62 -0.00 0.00 0.00 177.39 176.46 2dk4 n GLU 17 N 0.00 -3.72 -3.64 1.47 1.02 -1.26 -5.06 120.64 109.45 2dk4 n GLU 17 Ca 0.00 2.89 -0.10 0.00 -0.02 0.00 0.00 57.16 59.93 2dk4 n GLU 17 Cb 0.00 -4.15 -0.07 0.00 -0.02 0.00 0.00 31.44 27.20 2dk4 n GLU 17 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2dk4 s LEU 18 N -0.66 -0.81 0.00 -4.62 0.05 -1.26 -5.17 118.68 106.21 2dk4 s LEU 18 Ca -0.20 1.41 -0.16 0.00 0.05 0.00 0.00 54.13 55.24 2dk4 s LEU 18 Cb 0.01 2.35 0.05 0.00 -2.05 0.00 0.00 46.19 46.56 2dk4 s LEU 18 CO 0.62 -0.23 0.71 0.00 -0.55 0.00 0.00 176.35 176.90 2dk4 n ALA 19 N 3.49 -1.98 -1.07 1.48 0.00 -1.26 -5.10 120.51 116.06 2dk4 n ALA 19 Ca -0.17 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2dk4 n ALA 19 Cb 0.57 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.51 0.00 -0.01 0.00 4.07 -1.26 -4.87 120.64 118.06 2dk4 n GLU 20 Ca 0.02 0.36 0.22 0.00 -0.06 0.00 0.00 57.16 57.70 2dk4 n GLU 20 Cb 0.33 -1.07 0.59 0.00 -0.06 0.00 0.00 31.44 31.24 2dk4 n GLU 20 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2dk4 h GLU 21 N 0.00 0.00 0.00 5.31 4.11 -1.99 -3.39 114.58 118.63 2dk4 h GLU 21 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2dk4 h GLU 21 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dk4 h GLU 21 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 179.01 180.25 2dk4 n LYS 22 N -3.39 1.31 -1.44 1.06 3.00 -1.26 -4.91 118.16 112.53 2dk4 n LYS 22 Ca 0.13 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.46 2dk4 n LYS 22 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 36.03 2dk4 n LYS 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dk4 n LEU 23 N 0.00 -1.48 0.00 3.14 4.77 -1.26 -4.97 117.00 117.20 2dk4 n LEU 23 Ca 0.00 2.60 0.00 0.00 -0.03 0.00 0.00 56.01 58.58 2dk4 n LEU 23 Cb 0.00 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.25 2dk4 n LEU 23 CO 0.00 -0.91 0.00 -0.81 -1.33 0.00 0.00 177.39 174.34 2dk4 n PRO 24 N -2.74 0.17 -1.54 3.23 -0.04 -1.26 -4.86 135.00 127.97 2dk4 n PRO 24 Ca -0.01 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.96 2dk4 n PRO 24 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2dk4 n PRO 24 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2dk4 n MET 25 N -0.69 1.49 -0.12 0.54 2.81 -1.26 -4.80 117.12 115.09 2dk4 n MET 25 Ca 0.00 0.45 -0.17 0.00 -1.81 0.00 0.00 57.70 56.18 2dk4 n MET 25 Cb 0.00 -2.65 -0.11 0.00 -0.71 0.00 0.00 33.22 29.75 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2dk4 n THR 26 N 6.77 1.39 -3.84 2.03 -2.24 -1.26 -4.92 114.28 112.21 2dk4 n THR 26 Ca 0.34 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 61.23 2dk4 n THR 26 Cb 0.28 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 67.06 2dk4 n THR 26 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dk4 s LEU 27 N -6.41 3.90 0.79 3.22 1.43 -1.26 -5.09 118.68 115.26 2dk4 s LEU 27 Ca -0.33 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 2dk4 s LEU 27 Cb 0.08 -2.02 0.07 0.00 0.03 0.00 0.00 46.19 44.36 2dk4 s LEU 27 CO 0.56 0.11 1.09 -0.44 0.23 0.00 0.00 176.35 177.91 2dk4 s SER 28 N 0.75 4.51 0.21 2.29 0.01 -1.26 -4.69 113.70 115.51 2dk4 s SER 28 Ca 0.05 1.36 -0.21 0.00 1.31 0.00 0.00 55.95 58.46 2dk4 s SER 28 Cb -0.13 -2.11 0.15 0.00 0.21 0.00 0.00 66.02 64.15 2dk4 s SER 28 CO 0.02 -1.97 1.55 0.08 0.41 0.00 0.00 173.24 173.34 2dk4 h ARG 29 N -1.09 -0.04 -0.58 12.44 -0.00 -1.98 0.70 114.38 123.83 2dk4 h ARG 29 Ca -0.47 0.00 0.05 0.00 -0.00 0.00 0.00 59.98 59.56 2dk4 h ARG 29 Cb 1.26 0.01 -0.05 0.00 -0.00 0.00 0.00 29.97 31.19 2dk4 h ARG 29 CO 0.58 -0.03 0.31 0.37 -0.00 0.00 0.00 179.97 181.21 2dk4 h GLN 30 N -0.04 0.58 -0.05 0.08 4.15 -1.97 1.51 115.11 119.36 2dk4 h GLN 30 Ca 0.28 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.68 2dk4 h GLN 30 Cb 0.56 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.11 2dk4 h GLN 30 CO -0.92 0.38 0.06 1.49 -1.93 0.00 0.00 178.83 177.91 2dk4 h GLU 31 N 0.60 0.00 0.03 1.69 4.57 -0.13 0.56 114.58 121.90 2dk4 h GLU 31 Ca 0.26 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.10 2dk4 h GLU 31 Cb 0.14 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 2dk4 h GLU 31 CO -0.16 0.00 -2.03 0.28 -1.18 0.00 0.00 179.01 175.92 2dk4 n VAL 32 N -3.86 1.59 -0.13 0.32 0.31 0.88 -4.04 118.33 113.39 2dk4 n VAL 32 Ca -0.02 -0.75 -0.08 0.00 -0.01 0.00 0.00 64.34 63.49 2dk4 n VAL 32 Cb 0.15 -1.13 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 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 0.02 1.26 0.00 2.52 2.04 0.33 -2.28 117.51 121.41 2dk4 h ILE 33 Ca -0.41 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2dk4 h ILE 33 Cb 2.06 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2dk4 h ILE 33 CO 0.05 0.43 0.00 -1.14 0.00 0.00 0.00 178.15 177.49 2dk4 n ARG 34 N -4.15 0.00 -0.14 2.37 0.00 0.18 0.05 116.66 114.98 2dk4 n ARG 34 Ca 0.01 0.48 -0.12 0.00 -0.00 0.00 0.00 57.85 58.23 2dk4 n ARG 34 Cb 0.39 -1.31 -0.08 0.00 0.00 0.00 0.00 32.46 31.45 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dk4 h ARG 35 N 0.00 -0.30 -0.97 -0.14 -0.00 -1.70 0.29 114.38 111.56 2dk4 h ARG 35 Ca 0.00 0.02 0.17 0.00 -0.50 0.00 0.00 59.98 59.67 2dk4 h ARG 35 Cb 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 29.97 29.87 2dk4 h ARG 35 CO 0.00 -0.20 -0.33 -0.07 0.00 0.00 0.00 179.97 179.37 2dk4 h LEU 36 N -0.31 -1.22 0.45 3.04 3.38 -1.39 1.23 115.31 120.49 2dk4 h LEU 36 Ca 0.07 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2dk4 h LEU 36 Cb 0.49 0.69 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2dk4 h LEU 36 CO -0.53 -0.30 -0.37 0.03 0.09 0.00 0.00 178.44 177.36 2dk4 h ARG 37 N -0.01 -0.79 0.00 1.13 3.08 0.18 0.37 114.38 118.34 2dk4 h ARG 37 Ca 0.39 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2dk4 h ARG 37 Cb 0.64 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2dk4 h ARG 37 CO -0.98 -0.53 0.02 0.93 -1.07 0.00 0.00 179.97 178.34 2dk4 h GLU 38 N -0.82 0.00 0.00 0.04 4.39 0.28 0.56 114.58 119.03 2dk4 h GLU 38 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2dk4 h GLU 38 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2dk4 h GLU 38 CO -0.02 0.00 -1.03 0.54 -1.16 0.00 0.00 179.01 177.34 2dk4 n ARG 39 N -2.33 0.22 -0.74 2.33 5.12 0.39 -4.95 116.66 116.70 2dk4 n ARG 39 Ca -0.02 -0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2dk4 n ARG 39 Cb 0.05 -1.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.80 2dk4 n ARG 39 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dk4 n GLY 40 N 1.40 0.76 3.85 -0.13 0.00 0.20 -5.03 105.19 106.24 2dk4 n GLY 40 Ca 0.02 0.00 -0.32 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 -0.26 3.77 -0.21 1.61 0.41 0.91 -4.96 118.70 119.96 2dk4 s GLU 41 Ca 0.00 0.86 -0.29 0.00 -0.41 0.00 0.00 54.97 55.13 2dk4 s GLU 41 Cb 0.00 -2.11 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2dk4 s GLU 41 CO 0.00 -0.42 1.30 -1.25 -0.49 0.00 0.00 175.26 174.40 2dk4 s PRO 42 N -4.59 4.10 0.39 0.39 0.04 -1.26 -4.12 135.00 129.95 2dk4 s PRO 42 Ca 0.57 1.53 0.17 0.00 0.04 0.00 0.00 61.00 63.30 2dk4 s PRO 42 Cb -0.11 -3.82 1.05 0.00 0.04 0.00 0.00 34.50 31.66 2dk4 s PRO 42 CO 0.42 -0.89 1.80 -0.84 0.04 0.00 0.00 177.00 177.53 2dk4 h ILE 43 N 5.70 0.60 -3.24 0.56 3.07 -1.91 -3.36 117.51 118.93 2dk4 h ILE 43 Ca -0.27 -0.15 -0.42 0.00 1.55 0.00 0.00 64.86 65.57 2dk4 h ILE 43 Cb 1.11 0.11 -0.39 0.00 -0.27 0.00 0.00 36.82 37.38 2dk4 h ILE 43 CO 0.99 0.08 -0.75 -0.60 -1.05 0.00 0.00 178.15 176.82 2dk4 s ARG 44 N -5.51 0.22 0.19 0.16 6.06 -1.26 -4.90 118.95 113.90 2dk4 s ARG 44 Ca -0.09 0.14 -0.02 0.00 -2.50 0.00 0.00 55.73 53.25 2dk4 s ARG 44 Cb 0.24 -1.05 0.04 0.00 0.06 0.00 0.00 34.95 34.25 2dk4 s ARG 44 CO 0.79 -0.42 0.26 1.28 -2.50 0.00 0.00 175.30 174.72 2dk4 n LEU 45 N 5.23 0.00 -4.58 -0.88 4.32 -1.26 -4.93 117.00 114.91 2dk4 n LEU 45 Ca -0.06 -0.35 -0.40 0.00 -0.02 0.00 0.00 56.01 55.18 2dk4 n LEU 45 Cb 0.50 -0.19 -0.01 0.00 -1.62 0.00 0.00 43.42 42.09 2dk4 n LEU 45 CO 0.09 -0.67 1.82 0.12 -1.22 0.00 0.00 177.39 177.52 2dk4 s PHE 46 N -1.25 2.61 0.00 -1.77 5.36 -1.26 -3.64 117.98 118.03 2dk4 s PHE 46 Ca 0.15 -1.17 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 2dk4 s PHE 46 Cb -0.01 -4.64 0.00 0.00 -0.34 0.00 0.00 43.02 38.04 2dk4 s PHE 46 CO 0.11 -1.76 0.00 0.41 -1.46 0.00 0.00 175.22 172.52 2dk4 n GLY 47 N 5.75 0.72 3.07 13.12 0.00 -1.26 -5.09 105.19 121.51 2dk4 n GLY 47 Ca 0.45 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.69 2.33 0.67 1.61 2.02 -1.24 -5.08 118.70 117.33 2dk4 s GLU 48 Ca 0.00 -1.24 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 2dk4 s GLU 48 Cb 0.00 -2.81 -0.00 0.00 0.10 0.00 0.00 34.13 31.42 2dk4 s GLU 48 CO 0.00 -0.51 1.06 -0.08 0.02 0.00 0.00 175.26 175.76 2dk4 s THR 49 N 1.15 3.85 0.25 3.63 -1.32 -1.26 -4.61 115.64 117.32 2dk4 s THR 49 Ca -0.06 0.69 -0.14 0.00 -1.21 0.00 0.00 61.69 60.97 2dk4 s THR 49 Cb -0.19 -3.32 0.32 0.00 -1.51 0.00 0.00 72.50 67.80 2dk4 s THR 49 CO -0.06 -0.69 1.56 -0.78 -2.21 0.00 0.00 174.62 172.43 2dk4 h ASP 50 N -0.38 -1.22 -0.98 8.08 1.82 -1.98 1.49 116.42 123.25 2dk4 h ASP 50 Ca -0.45 0.30 0.03 0.00 -0.39 0.00 0.00 57.03 56.52 2dk4 h ASP 50 Cb 1.22 0.69 -0.06 0.00 0.68 0.00 0.00 39.33 41.86 2dk4 h ASP 50 CO 0.56 -0.30 0.65 0.22 -1.61 0.00 0.00 179.24 178.76 2dk4 h TYR 51 N -0.01 1.21 0.63 0.28 5.03 -1.98 0.28 116.97 122.42 2dk4 h TYR 51 Ca 0.39 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.70 2dk4 h TYR 51 Cb 0.64 -0.41 0.01 0.00 1.55 0.00 0.00 36.73 38.52 2dk4 h TYR 51 CO -0.82 0.71 -0.30 -0.44 -1.32 0.00 0.00 178.16 175.99 2dk4 h ASP 52 N 1.26 -0.72 -0.89 -2.11 3.32 0.16 0.36 116.42 117.80 2dk4 h ASP 52 Ca 0.39 0.02 0.07 0.00 0.02 0.00 0.00 57.03 57.52 2dk4 h ASP 52 Cb -0.03 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 2dk4 h ASP 52 CO -0.11 -0.50 0.56 0.00 -1.72 0.00 0.00 179.24 177.47 2dk4 h ALA 53 N -0.51 1.24 0.60 3.45 0.00 -0.18 0.23 119.26 124.08 2dk4 h ALA 53 Ca -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 2dk4 h ALA 53 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2dk4 h ALA 53 CO 0.14 0.30 -0.30 0.35 0.00 0.00 0.00 179.25 179.75 2dk4 h PHE 54 N 1.00 -0.77 -0.77 0.00 3.57 -0.08 -0.64 116.94 119.25 2dk4 h PHE 54 Ca 0.39 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 62.06 2dk4 h PHE 54 Cb 0.19 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 2dk4 h PHE 54 CO -0.03 -0.47 0.52 1.96 -2.23 0.00 0.00 178.31 178.06 2dk4 h GLN 55 N -0.81 0.25 0.88 1.11 1.08 -0.09 0.26 115.11 117.79 2dk4 h GLN 55 Ca -0.08 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.06 2dk4 h GLN 55 Cb 0.63 -0.06 0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2dk4 h GLN 55 CO 0.13 0.17 -0.42 -0.09 -0.95 0.00 0.00 178.83 177.66 2dk4 h ARG 56 N 0.26 -1.14 0.09 1.46 2.43 -0.20 -2.11 114.38 115.17 2dk4 h ARG 56 Ca 0.38 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 2dk4 h ARG 56 Cb 1.10 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.90 2dk4 h ARG 56 CO -0.09 -0.76 -0.08 1.25 -1.51 0.00 0.00 179.97 178.78 2dk4 h LEU 57 N -1.23 -0.21 -1.43 3.80 7.12 -0.34 0.11 115.31 123.12 2dk4 h LEU 57 Ca -0.12 0.02 0.23 0.00 0.13 0.00 0.00 57.88 58.14 2dk4 h LEU 57 Cb 0.91 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 2dk4 h LEU 57 CO 0.20 -0.13 0.91 -0.09 -0.13 0.00 0.00 178.44 179.20 2dk4 h ARG 58 N -0.19 0.00 0.06 1.25 1.12 -0.50 1.61 114.38 117.73 2dk4 h ARG 58 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.52 2dk4 h ARG 58 Cb 0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.10 2dk4 h ARG 58 CO -0.02 0.00 -2.02 1.17 -3.11 0.00 0.00 179.97 175.99 2dk4 n LYS 59 N -3.41 0.70 -0.20 0.20 4.81 -0.27 -4.18 118.16 115.81 2dk4 n LYS 59 Ca 0.17 0.23 -0.07 0.00 -0.87 0.00 0.00 58.31 57.77 2dk4 n LYS 59 Cb 1.16 -1.69 0.03 0.00 0.02 0.00 0.00 35.03 34.56 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 0.04 1.17 -0.36 3.15 2.04 0.46 -0.13 117.51 123.87 2dk4 h ILE 60 Ca -0.42 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.18 2dk4 h ILE 60 Cb 2.03 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 2dk4 h ILE 60 CO 0.05 0.17 0.45 -0.33 0.00 0.00 0.00 178.15 178.50 2dk4 h GLU 61 N 0.79 0.00 0.00 2.37 4.39 -0.50 0.14 114.58 121.77 2dk4 h GLU 61 Ca 0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2dk4 h GLU 61 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2dk4 h GLU 61 CO -0.04 0.00 -0.34 0.82 -1.16 0.00 0.00 179.01 178.29 2dk4 h ILE 62 N 0.00 0.00 -0.96 3.13 2.04 -1.27 -3.37 117.51 117.08 2dk4 h ILE 62 Ca 0.17 -0.88 0.25 0.00 1.00 0.00 0.00 64.86 65.40 2dk4 h ILE 62 Cb 1.07 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.97 2dk4 h ILE 62 CO -0.00 0.00 -0.01 -0.07 0.00 0.00 0.00 178.15 178.07 2dk4 h LEU 63 N -0.88 -0.51 -8.74 1.44 3.38 -0.49 -3.41 115.31 106.09 2dk4 h LEU 63 Ca 0.00 0.27 -0.61 0.00 0.09 0.00 0.00 57.88 57.63 2dk4 h LEU 63 Cb 0.34 0.48 0.15 0.00 0.09 0.00 0.00 40.66 41.72 2dk4 h LEU 63 CO 0.00 -0.33 -0.90 0.41 0.09 0.00 0.00 178.44 177.71 2dk4 n THR 64 N -5.48 0.69 -0.27 0.22 -1.04 0.43 -4.95 114.28 103.87 2dk4 n THR 64 Ca 0.21 -0.49 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 2dk4 n THR 64 Cb 0.69 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 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 1.28 0.46 -2.18 -2.82 -0.04 -1.26 -4.78 135.00 125.66 2dk4 n PRO 65 Ca 0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.52 2dk4 n PRO 65 Cb 0.38 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.45 -1.16 -1.55 0.54 1.02 -1.26 -4.81 120.64 112.97 2dk4 n GLU 66 Ca 0.00 0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2dk4 n GLU 66 Cb 0.00 -3.09 0.00 0.00 -0.02 0.00 0.00 31.44 28.33 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 -2.02 -5.12 -3.65 2.62 0.31 -1.26 -5.08 118.33 104.13 2dk4 n VAL 67 Ca -0.04 2.29 0.00 0.00 -0.01 0.00 0.00 64.34 66.58 2dk4 n VAL 67 Cb 0.54 -3.14 -0.06 0.00 -0.91 0.00 0.00 33.84 30.27 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2dk4 s ASN 68 N -2.91 -0.20 -0.90 4.52 4.22 -1.26 -5.04 114.94 113.36 2dk4 s ASN 68 Ca 0.00 0.32 -0.25 0.00 -2.14 0.00 0.00 52.86 50.80 2dk4 s ASN 68 Cb 0.00 1.03 0.04 0.00 1.28 0.00 0.00 41.25 43.60 2dk4 s ASN 68 CO 0.00 -0.05 1.41 -0.75 -2.04 0.00 0.00 177.10 175.67 2dk4 s LYS 69 N 1.06 3.39 -0.45 3.55 2.20 -1.26 -4.76 119.74 123.48 2dk4 s LYS 69 Ca -0.07 -0.73 0.02 0.00 -0.36 0.00 0.00 55.97 54.82 2dk4 s LYS 69 Cb -0.03 -4.89 0.21 0.00 -1.51 0.00 0.00 37.83 31.61 2dk4 s LYS 69 CO -0.11 -2.23 0.90 0.41 -0.36 0.00 0.00 175.35 173.95 2dk4 n GLY 70 N 6.30 -0.97 3.57 5.54 0.00 -1.26 -5.08 105.19 113.29 2dk4 n GLY 70 Ca 0.22 0.75 -0.20 0.00 0.00 0.00 0.00 46.02 46.79 2dk4 n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk4 s SER 71 N 0.65 4.39 0.00 1.61 1.04 -1.26 -4.06 113.70 116.07 2dk4 s SER 71 Ca 0.28 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2dk4 s SER 71 Cb 0.07 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2dk4 s SER 71 CO -0.09 -3.53 0.00 0.61 0.98 0.00 0.00 173.24 171.22 2dk4 n GLY 72 N 6.61 1.38 3.78 7.32 0.00 -1.26 -5.16 105.19 117.87 2dk4 n GLY 72 Ca 0.43 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.82 -0.03 1.61 0.04 -1.26 -5.03 135.00 131.15 2dk4 s PRO 73 Ca 0.00 0.16 -0.02 0.00 0.04 0.00 0.00 61.00 61.18 2dk4 s PRO 73 Cb 0.00 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2dk4 s PRO 73 CO 0.00 -2.39 -0.05 0.45 0.04 0.00 0.00 177.00 175.06 2dk4 n SER 74 N -3.87 0.31 -3.16 6.66 2.88 -1.26 -5.09 113.62 110.09 2dk4 n SER 74 Ca 0.08 0.05 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 2dk4 n SER 74 Cb 0.59 -0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.94 2dk4 n SER 74 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dk4 n SER 75 N -3.19 -6.69 0.00 -3.46 2.88 -1.26 -5.26 113.62 96.64 2dk4 n SER 75 Ca -0.07 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 2dk4 n SER 75 Cb 0.52 -2.76 0.00 0.00 -0.75 0.00 0.00 64.21 61.23 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42