#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 -0.13 -1.13 1.61 3.41 -1.26 -5.17 113.62 110.96 2dk4 n SER 2 Ca 0.00 0.43 0.14 0.00 -0.26 0.00 0.00 58.87 59.18 2dk4 n SER 2 Cb 0.00 0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2dk4 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2dk4 n SER 3 N -3.37 -6.65 0.00 4.04 7.64 -1.26 -5.03 113.62 108.99 2dk4 n SER 3 Ca 0.00 0.88 0.00 0.00 1.01 0.00 0.00 58.87 60.76 2dk4 n SER 3 Cb 0.00 -3.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 2dk4 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk4 n GLY 4 N -3.90 4.17 3.55 0.23 0.00 0.22 -4.87 105.19 104.59 2dk4 n GLY 4 Ca -0.04 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 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 0.40 -0.79 -0.30 1.61 0.15 -1.04 -4.63 113.70 109.11 2dk4 s SER 5 Ca 0.00 1.34 -0.11 0.00 0.70 0.00 0.00 55.95 57.88 2dk4 s SER 5 Cb 0.00 1.26 0.18 0.00 -1.71 0.00 0.00 66.02 65.76 2dk4 s SER 5 CO 0.00 -0.23 1.03 -0.44 1.20 0.00 0.00 173.24 174.80 2dk4 s SER 6 N 1.17 -0.47 0.47 5.45 0.01 -1.26 -4.94 113.70 114.12 2dk4 s SER 6 Ca -0.07 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.32 2dk4 s SER 6 Cb -0.05 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.51 2dk4 s SER 6 CO -0.12 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.05 2dk4 n GLY 7 N 5.24 -1.69 2.71 3.44 0.00 -1.26 -4.86 105.19 108.77 2dk4 n GLY 7 Ca 0.04 -1.14 -0.07 0.00 0.00 0.00 0.00 46.02 44.84 2dk4 n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dk4 n THR 8 N -3.44 -0.16 -1.44 2.61 -1.04 -1.26 -5.13 114.28 104.41 2dk4 n THR 8 Ca 0.01 -1.38 0.19 0.00 -2.04 0.00 0.00 64.05 60.83 2dk4 n THR 8 Cb 0.45 0.67 -0.06 0.00 -1.82 0.00 0.00 70.33 69.57 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2dk4 n SER 9 N 2.81 -8.56 0.00 8.00 2.88 -1.26 -5.03 113.62 112.45 2dk4 n SER 9 Ca 0.19 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2dk4 n SER 9 Cb 0.56 -4.60 0.00 0.00 -0.75 0.00 0.00 64.21 59.41 2dk4 n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dk4 n SER 10 N -4.34 0.00 -3.15 -3.46 3.41 -1.26 -5.10 113.62 99.72 2dk4 n SER 10 Ca -0.03 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.64 2dk4 n SER 10 Cb 0.68 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2dk4 n SER 10 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dk4 s ASN 11 N 0.00 -0.34 -0.02 4.04 3.84 -1.26 -5.06 114.94 116.14 2dk4 s ASN 11 Ca 0.00 0.21 -0.22 0.00 0.21 0.00 0.00 52.86 53.06 2dk4 s ASN 11 Cb 0.00 1.29 -0.22 0.00 -0.55 0.00 0.00 41.25 41.76 2dk4 s ASN 11 CO 0.00 -0.06 1.10 1.55 -2.79 0.00 0.00 177.10 176.89 2dk4 h PRO 12 N 7.96 0.28 -6.77 0.43 0.13 -2.05 -3.46 132.00 128.52 2dk4 h PRO 12 Ca -0.12 -0.28 -0.54 0.00 -0.87 0.00 0.00 66.00 64.19 2dk4 h PRO 12 Cb 1.18 0.07 -0.29 0.00 0.13 0.00 0.00 31.00 32.09 2dk4 h PRO 12 CO -0.14 0.96 -0.79 1.55 -0.23 0.00 0.00 178.00 179.36 2dk4 n VAL 13 N -4.41 -0.35 -3.73 1.56 3.14 -1.26 -4.88 118.33 108.40 2dk4 n VAL 13 Ca -0.09 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.00 2dk4 n VAL 13 Cb 0.55 -0.88 -0.16 0.00 -1.06 0.00 0.00 33.84 32.29 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2dk4 s LEU 14 N -7.01 1.64 0.30 6.55 2.96 -1.26 -5.13 118.68 116.73 2dk4 s LEU 14 Ca 0.71 -1.23 0.10 0.00 -0.22 0.00 0.00 54.13 53.49 2dk4 s LEU 14 Cb -0.41 -0.72 -0.06 0.00 0.50 0.00 0.00 46.19 45.51 2dk4 s LEU 14 CO 0.88 -0.36 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.71 2dk4 s GLU 15 N 1.75 1.67 0.00 1.98 2.12 -1.26 -5.14 118.70 119.82 2dk4 s GLU 15 Ca 0.04 -1.82 0.00 0.00 0.36 0.00 0.00 54.97 53.56 2dk4 s GLU 15 Cb -0.17 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.65 2dk4 s GLU 15 CO -0.18 0.20 0.00 1.47 -0.54 0.00 0.00 175.26 176.21 2dk4 n LEU 16 N -0.65 0.00 -1.36 2.70 -0.00 -1.26 -5.13 117.00 111.30 2dk4 n LEU 16 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 2dk4 n LEU 16 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2dk4 n LEU 16 CO 0.40 0.00 -0.41 -0.62 -0.00 0.00 0.00 177.39 176.76 2dk4 n GLU 17 N 0.00 -3.63 -1.39 1.47 1.02 -1.26 -5.00 120.64 111.84 2dk4 n GLU 17 Ca 0.00 2.80 0.07 0.00 -0.02 0.00 0.00 57.16 60.00 2dk4 n GLU 17 Cb 0.00 -3.43 -0.04 0.00 -0.02 0.00 0.00 31.44 27.95 2dk4 n GLU 17 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2dk4 n LEU 18 N -2.18 -1.30 0.00 -4.62 -0.00 -1.26 -5.07 117.00 102.57 2dk4 n LEU 18 Ca 0.00 2.46 -0.03 0.00 -0.00 0.00 0.00 56.01 58.44 2dk4 n LEU 18 Cb 0.34 -2.80 -0.01 0.00 -0.00 0.00 0.00 43.42 40.95 2dk4 n LEU 18 CO 0.00 -1.27 0.04 0.00 -0.00 0.00 0.00 177.39 176.17 2dk4 n ALA 19 N -3.21 -0.09 -0.06 1.47 0.00 -1.26 -5.14 120.51 112.21 2dk4 n ALA 19 Ca -0.04 -0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.05 2dk4 n ALA 19 Cb 0.52 0.29 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.13 -0.13 -2.88 0.00 2.13 -1.26 -4.83 120.64 113.55 2dk4 n GLU 20 Ca 0.00 0.09 -0.09 0.00 0.66 0.00 0.00 57.16 57.82 2dk4 n GLU 20 Cb 0.13 -0.15 -0.02 0.00 0.27 0.00 0.00 31.44 31.67 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 -2.37 -2.42 -0.79 5.31 1.02 -1.26 -4.81 120.64 115.32 2dk4 n GLU 21 Ca -0.00 0.03 -0.32 0.00 -0.02 0.00 0.00 57.16 56.85 2dk4 n GLU 21 Cb 0.03 -4.37 0.14 0.00 -0.02 0.00 0.00 31.44 27.21 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 -2.75 -0.30 -1.72 3.49 3.00 -1.26 -4.95 118.16 113.66 2dk4 n LYS 22 Ca 0.03 -0.03 -0.32 0.00 -0.00 0.00 0.00 58.31 57.98 2dk4 n LYS 22 Cb 0.47 -2.10 0.04 0.00 0.00 0.00 0.00 35.03 33.45 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dk4 s LEU 23 N -3.49 3.31 0.92 3.14 1.43 -1.26 -5.03 118.68 117.69 2dk4 s LEU 23 Ca 0.62 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 55.42 2dk4 s LEU 23 Cb -0.23 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.61 2dk4 s LEU 23 CO 0.62 -1.51 1.14 -2.16 0.23 0.00 0.00 176.35 174.68 2dk4 s PRO 24 N -4.44 1.05 0.31 1.29 0.04 -1.26 -4.94 135.00 127.04 2dk4 s PRO 24 Ca 0.63 0.26 -0.25 0.00 0.04 0.00 0.00 61.00 61.68 2dk4 s PRO 24 Cb -0.17 -1.83 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 2dk4 s PRO 24 CO 0.45 -2.25 0.42 -0.12 0.04 0.00 0.00 177.00 175.54 2dk4 n MET 25 N -3.80 0.19 0.00 4.56 1.56 -1.26 -4.89 117.12 113.48 2dk4 n MET 25 Ca 0.07 0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.57 2dk4 n MET 25 Cb 0.59 -1.14 0.00 0.00 2.15 0.00 0.00 33.22 34.82 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2dk4 n THR 26 N -0.44 0.00 -3.72 1.12 -2.24 -1.26 -5.08 114.28 102.66 2dk4 n THR 26 Ca 0.14 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.55 2dk4 n THR 26 Cb 0.33 -0.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 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 -4.71 4.36 0.67 3.22 1.43 -1.26 -5.09 118.68 117.30 2dk4 s LEU 27 Ca 0.00 0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 53.55 2dk4 s LEU 27 Cb 0.00 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 44.00 2dk4 s LEU 27 CO 0.00 0.31 1.04 -0.44 0.23 0.00 0.00 176.35 177.49 2dk4 s SER 28 N -0.59 5.44 0.21 2.29 0.01 -1.26 -4.74 113.70 115.05 2dk4 s SER 28 Ca 0.16 0.97 -0.22 0.00 1.31 0.00 0.00 55.95 58.18 2dk4 s SER 28 Cb -0.13 -1.82 0.14 0.00 0.21 0.00 0.00 66.02 64.43 2dk4 s SER 28 CO 0.05 -1.28 1.55 0.08 0.41 0.00 0.00 173.24 174.05 2dk4 h ARG 29 N -0.52 -0.02 -0.66 12.44 -0.00 -1.98 0.84 114.38 124.48 2dk4 h ARG 29 Ca -0.45 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 59.55 2dk4 h ARG 29 Cb 1.26 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.19 2dk4 h ARG 29 CO 0.63 -0.01 0.42 0.37 -0.00 0.00 0.00 179.97 181.38 2dk4 h GLN 30 N -0.02 0.81 0.00 0.08 4.15 -1.97 1.34 115.11 119.51 2dk4 h GLN 30 Ca 0.28 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 2dk4 h GLN 30 Cb 0.54 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2dk4 h GLN 30 CO -0.95 0.53 -0.01 1.49 -1.93 0.00 0.00 178.83 177.96 2dk4 h GLU 31 N 0.83 0.00 0.02 1.69 4.57 0.07 0.49 114.58 122.25 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 -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.52 2dk4 h GLU 31 CO -0.09 0.01 -2.06 0.28 -1.18 0.00 0.00 179.01 175.98 2dk4 n VAL 32 N -3.76 1.56 -0.13 0.32 0.31 0.16 -4.10 118.33 112.68 2dk4 n VAL 32 Ca -0.03 -0.77 -0.09 0.00 -0.01 0.00 0.00 64.34 63.44 2dk4 n VAL 32 Cb 0.09 -1.01 0.05 0.00 -0.91 0.00 0.00 33.84 32.06 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 1.27 0.03 2.52 2.04 0.29 -2.09 117.51 121.58 2dk4 h ILE 33 Ca -0.42 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2dk4 h ILE 33 Cb 2.08 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2dk4 h ILE 33 CO 0.05 0.46 -0.11 -0.09 0.00 0.00 0.00 178.15 178.46 2dk4 h ARG 34 N 0.78 -0.15 0.15 2.37 9.65 -0.23 0.50 114.38 127.44 2dk4 h ARG 34 Ca 0.11 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.01 2dk4 h ARG 34 Cb 0.74 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 2dk4 h ARG 34 CO 0.06 -0.10 -0.46 0.00 2.80 0.00 0.00 179.97 182.26 2dk4 h ARG 35 N -0.16 -0.67 -0.79 0.20 -0.00 -1.71 0.10 114.38 111.36 2dk4 h ARG 35 Ca -0.00 0.05 0.07 0.00 -0.50 0.00 0.00 59.98 59.60 2dk4 h ARG 35 Cb 0.15 0.15 -0.10 0.00 0.00 0.00 0.00 29.97 30.18 2dk4 h ARG 35 CO -0.05 -0.44 -0.50 -0.07 0.00 0.00 0.00 179.97 178.90 2dk4 h LEU 36 N -0.69 -1.81 -0.45 3.04 3.38 -1.30 1.09 115.31 118.56 2dk4 h LEU 36 Ca -0.01 0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.32 2dk4 h LEU 36 Cb 0.68 0.80 -0.10 0.00 0.09 0.00 0.00 40.66 42.13 2dk4 h LEU 36 CO -0.23 -0.21 -0.31 0.03 0.09 0.00 0.00 178.44 177.81 2dk4 h ARG 37 N -0.03 -0.20 -0.06 1.13 3.08 0.40 1.01 114.38 119.70 2dk4 h ARG 37 Ca 0.13 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.21 2dk4 h ARG 37 Cb 0.36 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 2dk4 h ARG 37 CO -0.77 -0.13 0.06 0.93 -1.07 0.00 0.00 179.97 178.99 2dk4 h GLU 38 N -0.21 0.00 0.00 0.04 5.08 0.20 0.39 114.58 120.08 2dk4 h GLU 38 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2dk4 h GLU 38 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dk4 h GLU 38 CO -0.57 0.00 -0.53 0.54 -1.00 0.00 0.00 179.01 177.44 2dk4 n ARG 39 N -3.94 0.13 -0.79 2.33 5.12 0.34 -4.92 116.66 114.93 2dk4 n ARG 39 Ca -0.01 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2dk4 n ARG 39 Cb 0.16 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 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 1.43 0.65 3.83 -0.13 0.00 0.28 -5.04 105.19 106.21 2dk4 n GLY 40 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.21 3.50 -0.21 1.61 0.41 0.17 -4.94 118.70 119.03 2dk4 s GLU 41 Ca 0.00 1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 55.27 2dk4 s GLU 41 Cb 0.00 -2.07 -0.01 0.00 -1.78 0.00 0.00 34.13 30.27 2dk4 s GLU 41 CO 0.00 -0.64 1.31 -1.25 -0.49 0.00 0.00 175.26 174.18 2dk4 s PRO 42 N -4.45 4.09 0.54 0.39 0.04 -1.26 -4.10 135.00 130.25 2dk4 s PRO 42 Ca 0.59 1.53 0.22 0.00 0.04 0.00 0.00 61.00 63.38 2dk4 s PRO 42 Cb -0.13 -3.83 1.40 0.00 0.04 0.00 0.00 34.50 31.99 2dk4 s PRO 42 CO 0.41 -0.89 2.09 -0.84 0.04 0.00 0.00 177.00 177.81 2dk4 h ILE 43 N 5.70 0.80 -2.82 0.56 3.07 -1.93 -3.35 117.51 119.53 2dk4 h ILE 43 Ca -0.27 0.00 -0.46 0.00 1.55 0.00 0.00 64.86 65.68 2dk4 h ILE 43 Cb 1.11 0.87 -0.39 0.00 -0.27 0.00 0.00 36.82 38.13 2dk4 h ILE 43 CO 0.99 0.00 -0.74 -0.60 -1.05 0.00 0.00 178.15 176.75 2dk4 s ARG 44 N -4.96 0.15 0.00 0.16 6.06 -1.26 -4.95 118.95 114.14 2dk4 s ARG 44 Ca -0.05 -0.23 0.00 0.00 -2.50 0.00 0.00 55.73 52.95 2dk4 s ARG 44 Cb 0.18 -1.40 0.00 0.00 0.06 0.00 0.00 34.95 33.78 2dk4 s ARG 44 CO 0.67 -0.84 0.22 1.28 -2.50 0.00 0.00 175.30 174.14 2dk4 n LEU 45 N 5.27 1.56 -3.28 -0.88 4.32 -1.26 -4.90 117.00 117.84 2dk4 n LEU 45 Ca -0.06 0.27 -0.07 0.00 -0.02 0.00 0.00 56.01 56.13 2dk4 n LEU 45 Cb 0.46 -0.07 -0.04 0.00 -1.62 0.00 0.00 43.42 42.15 2dk4 n LEU 45 CO 0.07 -0.07 -0.02 0.12 -1.22 0.00 0.00 177.39 176.26 2dk4 s PHE 46 N -0.60 -1.09 -1.14 -1.77 2.19 -1.26 -4.90 117.98 109.41 2dk4 s PHE 46 Ca 0.00 -0.19 0.00 0.00 0.33 0.00 0.00 56.93 57.07 2dk4 s PHE 46 Cb 0.00 -0.02 0.00 0.00 -1.31 0.00 0.00 43.02 41.69 2dk4 s PHE 46 CO 0.00 -1.08 0.00 0.41 1.83 0.00 0.00 175.22 176.38 2dk4 n GLY 47 N 4.40 -0.10 3.62 13.12 0.00 -1.26 -4.94 105.19 120.03 2dk4 n GLY 47 Ca 0.11 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.59 3.80 0.74 1.61 2.02 -1.26 -5.00 118.70 116.02 2dk4 s GLU 48 Ca 0.00 1.06 -0.11 0.00 0.02 0.00 0.00 54.97 55.94 2dk4 s GLU 48 Cb 0.00 -3.92 0.04 0.00 0.10 0.00 0.00 34.13 30.35 2dk4 s GLU 48 CO 0.00 -1.27 1.08 -0.08 0.02 0.00 0.00 175.26 175.00 2dk4 s THR 49 N 4.66 3.58 0.30 3.63 -1.32 -1.26 -4.48 115.64 120.74 2dk4 s THR 49 Ca 0.56 0.51 -0.00 0.00 -1.21 0.00 0.00 61.69 61.55 2dk4 s THR 49 Cb -0.14 -3.24 0.40 0.00 -1.51 0.00 0.00 72.50 68.01 2dk4 s THR 49 CO 0.26 -0.67 1.58 0.44 -2.21 0.00 0.00 174.62 174.02 2dk4 h ASP 50 N -0.90 -0.50 0.56 8.08 3.32 -1.97 0.98 116.42 125.97 2dk4 h ASP 50 Ca -0.45 0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 2dk4 h ASP 50 Cb 1.24 0.48 0.01 0.00 0.22 0.00 0.00 39.33 41.28 2dk4 h ASP 50 CO 0.57 -0.33 -0.27 0.22 -1.72 0.00 0.00 179.24 177.71 2dk4 h TYR 51 N 0.02 -0.69 0.14 4.55 5.03 -1.95 1.10 116.97 125.16 2dk4 h TYR 51 Ca 0.57 -0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.88 2dk4 h TYR 51 Cb 1.14 0.23 -0.03 0.00 1.55 0.00 0.00 36.73 39.61 2dk4 h TYR 51 CO -0.51 -0.42 -0.27 -0.44 -1.32 0.00 0.00 178.16 175.19 2dk4 h ASP 52 N -0.76 -0.75 -0.90 -2.11 3.32 -0.69 1.17 116.42 115.70 2dk4 h ASP 52 Ca -0.08 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.12 2dk4 h ASP 52 Cb 0.58 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.35 2dk4 h ASP 52 CO 0.13 -0.36 0.59 0.00 -1.72 0.00 0.00 179.24 177.87 2dk4 h ALA 53 N 0.23 1.50 0.54 3.45 0.00 0.83 0.15 119.26 125.96 2dk4 h ALA 53 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dk4 h ALA 53 Cb 0.51 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dk4 h ALA 53 CO -0.14 0.38 -0.26 0.35 0.00 0.00 0.00 179.25 179.58 2dk4 h PHE 54 N 1.05 -0.67 -0.99 0.00 3.57 0.25 -2.28 116.94 117.86 2dk4 h PHE 54 Ca 0.38 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 62.10 2dk4 h PHE 54 Cb 0.16 0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.04 2dk4 h PHE 54 CO -0.00 -0.42 0.64 1.96 -2.23 0.00 0.00 178.31 178.26 2dk4 h GLN 55 N -0.97 0.42 0.69 1.11 1.08 0.15 0.41 115.11 118.01 2dk4 h GLN 55 Ca -0.07 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 2dk4 h GLN 55 Cb 0.56 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 2dk4 h GLN 55 CO 0.12 0.28 -0.39 -0.09 -0.95 0.00 0.00 178.83 177.80 2dk4 h ARG 56 N 0.43 -0.96 -0.10 1.46 2.43 -0.62 -1.87 114.38 115.14 2dk4 h ARG 56 Ca 0.54 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.80 2dk4 h ARG 56 Cb 1.33 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 31.08 2dk4 h ARG 56 CO -0.25 -0.64 -0.01 1.25 -1.51 0.00 0.00 179.97 178.80 2dk4 h LEU 57 N -1.00 -0.07 -1.43 3.80 7.12 -0.69 0.30 115.31 123.34 2dk4 h LEU 57 Ca -0.09 0.03 0.20 0.00 0.13 0.00 0.00 57.88 58.14 2dk4 h LEU 57 Cb 0.79 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.94 2dk4 h LEU 57 CO 0.12 -0.02 0.86 -0.09 -0.13 0.00 0.00 178.44 179.18 2dk4 h ARG 58 N 0.01 0.00 0.05 1.25 1.12 -0.15 1.62 114.38 118.29 2dk4 h ARG 58 Ca 0.05 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.57 2dk4 h ARG 58 Cb 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 29.98 2dk4 h ARG 58 CO -0.09 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 175.95 2dk4 n LYS 59 N -3.38 0.70 -0.13 0.20 4.81 -0.09 -4.13 118.16 116.14 2dk4 n LYS 59 Ca 0.15 0.24 -0.08 0.00 -0.87 0.00 0.00 58.31 57.74 2dk4 n LYS 59 Cb 1.09 -1.70 -0.00 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 1.14 -0.89 3.15 2.04 0.40 -0.97 117.51 122.42 2dk4 h ILE 60 Ca -0.40 -0.36 0.26 0.00 1.00 0.00 0.00 64.86 65.36 2dk4 h ILE 60 Cb 2.03 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 2dk4 h ILE 60 CO 0.06 0.15 0.64 -0.33 0.00 0.00 0.00 178.15 178.67 2dk4 h GLU 61 N 0.52 0.01 0.01 2.37 4.39 -0.62 0.27 114.58 121.52 2dk4 h GLU 61 Ca 0.14 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2dk4 h GLU 61 Cb 0.04 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2dk4 h GLU 61 CO -0.02 0.01 -0.00 0.82 -1.16 0.00 0.00 179.01 178.65 2dk4 h ILE 62 N 0.01 1.53 0.07 3.13 2.04 -1.41 -3.38 117.51 119.51 2dk4 h ILE 62 Ca 0.43 -2.09 -0.00 0.00 1.00 0.00 0.00 64.86 64.20 2dk4 h ILE 62 Cb 1.69 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 40.63 2dk4 h ILE 62 CO -0.01 0.51 -0.10 -0.07 0.00 0.00 0.00 178.15 178.48 2dk4 h LEU 63 N -0.97 -0.29 -8.30 1.44 -0.00 0.23 -3.43 115.31 103.99 2dk4 h LEU 63 Ca -0.00 0.03 -0.58 0.00 -0.00 0.00 0.00 57.88 57.33 2dk4 h LEU 63 Cb 0.84 0.10 0.14 0.00 -0.00 0.00 0.00 40.66 41.74 2dk4 h LEU 63 CO 0.00 -0.12 -0.87 0.41 -0.00 0.00 0.00 178.44 177.86 2dk4 n THR 64 N -2.95 0.63 0.06 0.22 -1.04 0.74 -4.92 114.28 107.02 2dk4 n THR 64 Ca -0.02 -0.46 -0.03 0.00 -2.04 0.00 0.00 64.05 61.50 2dk4 n THR 64 Cb 0.09 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.32 -0.20 -4.50 -2.82 0.13 -1.88 -3.47 132.00 119.57 2dk4 h PRO 65 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2dk4 h PRO 65 Cb 1.33 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2dk4 h PRO 65 CO 0.43 -0.14 -0.30 0.39 -0.23 0.00 0.00 178.00 178.15 2dk4 n GLU 66 N -3.86 -1.51 -4.18 0.86 1.02 -1.26 -3.85 120.64 107.85 2dk4 n GLU 66 Ca -0.03 1.54 -0.31 0.00 -0.02 0.00 0.00 57.16 58.34 2dk4 n GLU 66 Cb 0.08 -4.24 -0.06 0.00 -0.02 0.00 0.00 31.44 27.20 2dk4 n GLU 66 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2dk4 n VAL 67 N -0.45 -1.84 -3.45 2.62 3.14 -1.26 -4.90 118.33 112.19 2dk4 n VAL 67 Ca 0.07 -0.52 -0.32 0.00 -2.96 0.00 0.00 64.34 60.61 2dk4 n VAL 67 Cb 0.31 -1.65 -0.05 0.00 -1.06 0.00 0.00 33.84 31.39 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 2dk4 s ASN 68 N -4.27 6.63 -0.95 6.55 -0.87 -1.25 -4.98 114.94 115.79 2dk4 s ASN 68 Ca 0.07 0.89 -0.09 0.00 -1.57 0.00 0.00 52.86 52.15 2dk4 s ASN 68 Cb -0.03 -2.21 0.24 0.00 -0.02 0.00 0.00 41.25 39.22 2dk4 s ASN 68 CO 0.97 -0.04 0.90 -0.75 -2.57 0.00 0.00 177.10 175.61 2dk4 s LYS 69 N -2.70 3.75 0.00 -0.60 2.20 -1.26 -4.79 119.74 116.33 2dk4 s LYS 69 Ca 0.45 -2.92 0.00 0.00 -0.36 0.00 0.00 55.97 53.14 2dk4 s LYS 69 Cb -0.12 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.84 2dk4 s LYS 69 CO 0.21 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.36 2dk4 n GLY 70 N 3.13 3.07 3.16 5.54 0.00 -1.26 -5.09 105.19 113.74 2dk4 n GLY 70 Ca 0.19 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2dk4 n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk4 s SER 71 N 2.00 5.80 0.00 1.61 0.15 -1.26 -4.97 113.70 117.03 2dk4 s SER 71 Ca 0.00 -3.04 0.00 0.00 0.70 0.00 0.00 55.95 53.61 2dk4 s SER 71 Cb 0.00 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2dk4 s SER 71 CO 0.00 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2dk4 n GLY 72 N 3.30 4.91 0.15 9.45 0.00 -1.26 -5.04 105.19 116.70 2dk4 n GLY 72 Ca 0.13 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 2dk4 n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk4 h PRO 73 N 0.00 0.30 -5.53 1.61 0.13 -1.95 -3.49 132.00 123.06 2dk4 h PRO 73 Ca 0.00 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dk4 h PRO 73 Cb 0.00 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 31.15 2dk4 h PRO 73 CO 0.00 0.97 -0.97 0.45 -0.23 0.00 0.00 178.00 178.22 2dk4 n SER 74 N -3.74 -4.55 -3.34 1.44 2.88 -1.26 -4.99 113.62 100.06 2dk4 n SER 74 Ca -0.04 1.14 -0.26 0.00 -1.33 0.00 0.00 58.87 58.37 2dk4 n SER 74 Cb 0.77 -3.76 -0.09 0.00 -0.75 0.00 0.00 64.21 60.38 2dk4 n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk4 n SER 75 N 1.73 -0.38 0.00 -3.46 7.64 -1.26 -4.83 113.62 113.06 2dk4 n SER 75 Ca -0.18 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.25 2dk4 n SER 75 Cb 0.34 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64