#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 -7.02 -3.69 1.61 7.64 -1.26 -5.00 113.62 105.90 2dk4 n SER 2 Ca 0.00 1.51 -0.13 0.00 1.01 0.00 0.00 58.87 61.26 2dk4 n SER 2 Cb 0.00 -4.14 -0.13 0.00 -1.01 0.00 0.00 64.21 58.93 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk4 s SER 3 N -5.40 0.05 0.00 6.43 0.15 -1.26 -4.96 113.70 108.72 2dk4 s SER 3 Ca 0.00 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dk4 s SER 3 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2dk4 s SER 3 CO 0.00 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2dk4 n GLY 4 N 4.89 0.15 0.00 9.45 0.00 -1.26 -5.10 105.19 113.32 2dk4 n GLY 4 Ca -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.17 0.00 0.08 1.61 2.88 -1.26 -5.07 113.62 110.69 2dk4 n SER 5 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 2dk4 n SER 5 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 2dk4 n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dk4 h SER 6 N 0.00 -0.26 -3.07 -3.46 0.02 -1.99 -3.50 113.55 101.30 2dk4 h SER 6 Ca 0.00 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2dk4 h SER 6 Cb 0.00 0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2dk4 h SER 6 CO 0.00 0.21 -0.01 0.61 -1.14 0.00 0.00 176.83 176.51 2dk4 n GLY 7 N 0.95 -0.06 2.06 -3.77 0.00 -1.26 -5.03 105.19 98.09 2dk4 n GLY 7 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.14 0.00 -3.56 2.61 -1.04 -1.26 -5.15 114.28 104.73 2dk4 n THR 8 Ca -0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 2dk4 n THR 8 Cb 0.50 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.69 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dk4 s SER 9 N -3.82 -0.50 -0.37 8.00 0.15 -1.26 -5.12 113.70 110.78 2dk4 s SER 9 Ca 0.00 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.27 2dk4 s SER 9 Cb 0.00 0.49 0.15 0.00 -1.71 0.00 0.00 66.02 64.95 2dk4 s SER 9 CO 0.00 -0.42 0.27 -0.94 1.20 0.00 0.00 173.24 173.35 2dk4 s SER 10 N -0.97 2.28 -0.30 5.45 1.04 -1.26 -5.04 113.70 114.90 2dk4 s SER 10 Ca -0.05 -2.41 -0.07 0.00 0.48 0.00 0.00 55.95 53.90 2dk4 s SER 10 Cb -0.01 -0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.00 2dk4 s SER 10 CO 0.04 -0.26 0.95 0.20 0.98 0.00 0.00 173.24 175.15 2dk4 s ASN 11 N 0.78 -0.67 0.00 7.02 -0.87 -1.26 -5.11 114.94 114.83 2dk4 s ASN 11 Ca 0.23 0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2dk4 s ASN 11 Cb -0.14 1.36 0.00 0.00 -0.02 0.00 0.00 41.25 42.45 2dk4 s ASN 11 CO -0.06 -0.12 0.02 -0.81 -2.57 0.00 0.00 177.10 173.56 2dk4 n PRO 12 N 5.04 0.00 -3.21 -0.60 -0.04 -1.26 -4.98 135.00 129.94 2dk4 n PRO 12 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2dk4 n PRO 12 Cb 0.57 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2dk4 n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dk4 n VAL 13 N -0.07 -2.42 0.00 0.52 0.31 -1.26 -4.94 118.33 110.47 2dk4 n VAL 13 Ca 0.00 0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2dk4 n VAL 13 Cb 0.00 -3.15 0.00 0.00 -0.91 0.00 0.00 33.84 29.78 2dk4 n VAL 13 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2dk4 n LEU 14 N 1.14 0.00 -3.55 7.52 4.77 -1.26 -5.16 117.00 120.46 2dk4 n LEU 14 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2dk4 n LEU 14 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2dk4 n LEU 14 CO 0.06 0.00 0.81 -1.83 -1.33 0.00 0.00 177.39 175.10 2dk4 s GLU 15 N 0.00 0.60 -0.25 3.23 1.03 -1.26 -5.14 118.70 116.91 2dk4 s GLU 15 Ca 0.00 -0.14 -0.03 0.00 0.03 0.00 0.00 54.97 54.83 2dk4 s GLU 15 Cb 0.00 0.28 0.10 0.00 -0.80 0.00 0.00 34.13 33.71 2dk4 s GLU 15 CO 0.00 -0.25 0.18 -0.51 -1.33 0.00 0.00 175.26 173.35 2dk4 s LEU 16 N -2.04 0.19 -0.35 1.83 1.43 -1.26 -4.97 118.68 113.51 2dk4 s LEU 16 Ca 0.05 -0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 2dk4 s LEU 16 Cb -0.01 0.02 0.01 0.00 0.03 0.00 0.00 46.19 46.24 2dk4 s LEU 16 CO -0.05 -0.39 0.33 -0.62 0.23 0.00 0.00 176.35 175.85 2dk4 n GLU 17 N 5.28 -2.61 -1.06 1.70 4.71 -1.26 -4.90 120.64 122.50 2dk4 n GLU 17 Ca -0.05 2.21 -0.34 0.00 -0.01 0.00 0.00 57.16 58.97 2dk4 n GLU 17 Cb 0.46 -4.86 0.10 0.00 -1.01 0.00 0.00 31.44 26.13 2dk4 n GLU 17 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2dk4 n LEU 18 N 0.22 1.41 -1.28 -4.62 4.32 -1.26 -4.41 117.00 111.38 2dk4 n LEU 18 Ca 0.05 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 2dk4 n LEU 18 Cb 0.31 -1.29 0.00 0.00 -1.62 0.00 0.00 43.42 40.82 2dk4 n LEU 18 CO 0.44 -2.92 0.00 0.00 -1.22 0.00 0.00 177.39 173.68 2dk4 n ALA 19 N -3.03 -1.59 -3.33 -1.18 0.00 -1.26 -4.96 120.51 105.15 2dk4 n ALA 19 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.28 2dk4 n ALA 19 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 2dk4 n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dk4 n GLU 20 N -0.75 1.35 0.28 0.00 1.02 -1.26 -4.91 120.64 116.37 2dk4 n GLU 20 Ca 0.00 -3.79 0.18 0.00 -0.02 0.00 0.00 57.16 53.53 2dk4 n GLU 20 Cb 0.32 -1.68 0.92 0.00 -0.02 0.00 0.00 31.44 30.99 2dk4 n GLU 20 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2dk4 h GLU 21 N 4.30 0.00 -7.06 3.49 4.11 -1.94 -3.42 114.58 114.06 2dk4 h GLU 21 Ca 0.14 0.00 -0.40 0.00 0.07 0.00 0.00 59.36 59.17 2dk4 h GLU 21 Cb 0.80 0.00 0.22 0.00 0.50 0.00 0.00 28.75 30.27 2dk4 h GLU 21 CO 0.60 0.00 -0.09 0.21 0.07 0.00 0.00 179.01 179.80 2dk4 s LYS 22 N -4.32 -2.44 0.42 1.06 2.20 -1.26 -4.84 119.74 110.56 2dk4 s LYS 22 Ca -0.04 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 2dk4 s LYS 22 Cb 0.12 -1.42 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 2dk4 s LYS 22 CO 0.41 -4.60 0.00 -0.11 -0.36 0.00 0.00 175.35 170.70 2dk4 n LEU 23 N -5.46 -1.06 0.00 5.43 7.94 -1.26 -4.98 117.00 117.61 2dk4 n LEU 23 Ca 0.10 1.93 0.00 0.00 -1.11 0.00 0.00 56.01 56.92 2dk4 n LEU 23 Cb 0.58 -1.97 0.00 0.00 0.53 0.00 0.00 43.42 42.56 2dk4 n LEU 23 CO 0.47 -0.83 0.00 -0.81 -1.11 0.00 0.00 177.39 175.12 2dk4 n PRO 24 N -2.65 0.61 -1.38 1.96 -0.04 -1.26 -4.80 135.00 127.44 2dk4 n PRO 24 Ca -0.02 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 62.93 2dk4 n PRO 24 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 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 -0.32 0.40 -2.46 0.54 0.00 -1.26 -4.72 117.12 109.30 2dk4 n MET 25 Ca 0.00 0.09 -0.01 0.00 -0.00 0.00 0.00 57.70 57.78 2dk4 n MET 25 Cb 0.00 -1.92 0.06 0.00 0.00 0.00 0.00 33.22 31.36 2dk4 n MET 25 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2dk4 n THR 26 N 7.02 0.54 -3.57 1.12 -2.24 -1.26 -5.06 114.28 110.84 2dk4 n THR 26 Ca 0.52 -1.73 -0.22 0.00 -2.27 0.00 0.00 64.05 60.35 2dk4 n THR 26 Cb 0.09 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -3.14 0.12 0.82 3.22 1.43 -1.26 -5.11 118.68 114.75 2dk4 s LEU 27 Ca 0.19 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2dk4 s LEU 27 Cb 0.35 0.06 0.08 0.00 0.03 0.00 0.00 46.19 46.70 2dk4 s LEU 27 CO -0.08 -0.33 1.09 -0.44 0.23 0.00 0.00 176.35 176.82 2dk4 s SER 28 N 2.23 4.15 0.18 2.29 0.01 -1.26 -4.62 113.70 116.69 2dk4 s SER 28 Ca 0.04 1.70 -0.23 0.00 1.31 0.00 0.00 55.95 58.78 2dk4 s SER 28 Cb -0.15 -2.40 0.08 0.00 0.21 0.00 0.00 66.02 63.76 2dk4 s SER 28 CO -0.10 -2.24 1.45 -2.11 0.41 0.00 0.00 173.24 170.66 2dk4 n ARG 29 N -3.65 -0.32 -0.16 12.44 1.85 -1.26 0.97 116.66 126.54 2dk4 n ARG 29 Ca 0.08 1.43 -0.03 0.00 -1.00 0.00 0.00 57.85 58.34 2dk4 n ARG 29 Cb 0.54 -2.12 0.06 0.00 -1.05 0.00 0.00 32.46 29.89 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 0.35 -0.12 2.89 4.15 -1.97 1.57 115.11 121.97 2dk4 h GLN 30 Ca 0.24 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.67 2dk4 h GLN 30 Cb 0.47 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.08 2dk4 h GLN 30 CO -0.91 0.23 0.12 1.49 -1.93 0.00 0.00 178.83 177.84 2dk4 h GLU 31 N 0.36 0.00 0.03 1.69 4.57 0.29 0.64 114.58 122.16 2dk4 h GLU 31 Ca 0.24 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.10 2dk4 h GLU 31 Cb 0.25 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 2dk4 h GLU 31 CO -0.24 0.00 -1.92 0.28 -1.18 0.00 0.00 179.01 175.95 2dk4 n VAL 32 N -3.96 1.61 -0.17 0.32 0.31 0.98 -4.01 118.33 113.40 2dk4 n VAL 32 Ca 0.00 -0.76 -0.11 0.00 -0.01 0.00 0.00 64.34 63.46 2dk4 n VAL 32 Cb 0.23 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 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 1.27 0.00 2.52 2.04 0.38 -2.66 117.51 121.07 2dk4 h ILE 33 Ca -0.37 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2dk4 h ILE 33 Cb 2.05 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2dk4 h ILE 33 CO 0.06 0.46 0.00 0.54 0.00 0.00 0.00 178.15 179.22 2dk4 n ARG 34 N -4.14 0.00 -0.20 2.37 1.74 0.21 0.09 116.66 116.73 2dk4 n ARG 34 Ca 0.01 0.45 -0.07 0.00 -0.77 0.00 0.00 57.85 57.46 2dk4 n ARG 34 Cb 0.43 -1.24 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2dk4 h ARG 35 N 0.00 -0.08 -0.45 5.56 -0.00 -1.70 0.40 114.38 118.12 2dk4 h ARG 35 Ca 0.00 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.53 2dk4 h ARG 35 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 29.97 29.93 2dk4 h ARG 35 CO 0.00 -0.05 -0.26 1.28 0.00 0.00 0.00 179.97 180.93 2dk4 n LEU 36 N -4.38 -0.48 -0.21 3.04 4.77 -1.00 0.14 117.00 118.88 2dk4 n LEU 36 Ca 0.00 1.34 -0.04 0.00 -0.03 0.00 0.00 56.01 57.29 2dk4 n LEU 36 Cb 0.18 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 2dk4 n LEU 36 CO -0.07 -0.92 0.66 0.03 -1.33 0.00 0.00 177.39 175.76 2dk4 h ARG 37 N 0.00 -0.11 -0.22 3.23 3.08 0.84 1.44 114.38 122.64 2dk4 h ARG 37 Ca 0.07 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.19 2dk4 h ARG 37 Cb 0.18 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2dk4 h ARG 37 CO -0.42 -0.07 0.16 0.93 -1.07 0.00 0.00 179.97 179.50 2dk4 h GLU 38 N -0.12 0.00 0.00 0.04 4.39 0.32 0.28 114.58 119.50 2dk4 h GLU 38 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2dk4 h GLU 38 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2dk4 h GLU 38 CO -0.68 0.00 -0.59 0.00 -1.16 0.00 0.00 179.01 176.58 2dk4 h ARG 39 N 0.00 0.00 0.00 2.33 3.08 0.95 -3.47 114.38 117.26 2dk4 h ARG 39 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2dk4 h ARG 39 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2dk4 h ARG 39 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2dk4 n GLY 40 N 1.22 0.77 3.83 0.04 0.00 0.41 -5.05 105.19 106.41 2dk4 n GLY 40 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.66 3.38 -0.23 1.61 0.41 0.01 -4.92 118.70 118.31 2dk4 s GLU 41 Ca 0.00 1.02 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 2dk4 s GLU 41 Cb 0.00 -2.05 -0.01 0.00 -1.78 0.00 0.00 34.13 30.29 2dk4 s GLU 41 CO 0.00 -0.75 1.31 -1.25 -0.49 0.00 0.00 175.26 174.08 2dk4 s PRO 42 N -4.51 4.06 0.30 0.39 0.04 -1.26 -3.95 135.00 130.07 2dk4 s PRO 42 Ca 0.60 1.48 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2dk4 s PRO 42 Cb -0.13 -3.84 0.71 0.00 0.04 0.00 0.00 34.50 31.28 2dk4 s PRO 42 CO 0.43 -0.93 1.77 -0.84 0.04 0.00 0.00 177.00 177.48 2dk4 h ILE 43 N 5.74 0.71 -3.21 0.56 3.07 -1.93 -3.37 117.51 119.08 2dk4 h ILE 43 Ca -0.27 -0.26 -0.44 0.00 1.55 0.00 0.00 64.86 65.45 2dk4 h ILE 43 Cb 1.10 -0.10 -0.40 0.00 -0.27 0.00 0.00 36.82 37.16 2dk4 h ILE 43 CO 1.00 0.14 -0.75 -0.60 -1.05 0.00 0.00 178.15 176.88 2dk4 s ARG 44 N -5.88 0.25 0.08 0.16 6.06 -1.26 -4.93 118.95 113.43 2dk4 s ARG 44 Ca -0.11 0.04 -0.01 0.00 -2.50 0.00 0.00 55.73 53.14 2dk4 s ARG 44 Cb 0.25 -1.30 0.02 0.00 0.06 0.00 0.00 34.95 33.97 2dk4 s ARG 44 CO 0.80 -0.48 0.08 1.28 -2.50 0.00 0.00 175.30 174.48 2dk4 n LEU 45 N 5.21 0.00 -3.92 -0.88 4.77 -1.26 -4.92 117.00 116.01 2dk4 n LEU 45 Ca -0.06 -0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 2dk4 n LEU 45 Cb 0.49 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2dk4 n LEU 45 CO 0.09 -0.85 1.75 0.33 -1.33 0.00 0.00 177.39 177.39 2dk4 n PHE 46 N -2.42 2.87 0.00 -1.77 -0.00 -1.26 -4.15 117.46 110.73 2dk4 n PHE 46 Ca 0.01 -2.77 0.00 0.00 -0.00 0.00 0.00 57.45 54.69 2dk4 n PHE 46 Cb 0.04 -1.80 0.00 0.00 -0.00 0.00 0.00 39.48 37.72 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2dk4 n GLY 47 N 2.51 0.76 3.54 7.13 0.00 -1.26 -5.16 105.19 112.71 2dk4 n GLY 47 Ca 0.37 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 1.79 0.38 1.61 2.02 -1.26 -5.10 118.70 118.14 2dk4 s GLU 48 Ca 0.00 -1.95 0.04 0.00 0.02 0.00 0.00 54.97 53.08 2dk4 s GLU 48 Cb 0.00 -1.55 -0.01 0.00 0.10 0.00 0.00 34.13 32.67 2dk4 s GLU 48 CO 0.00 0.07 0.13 -2.37 0.02 0.00 0.00 175.26 173.10 2dk4 n THR 49 N -0.79 0.00 -0.16 3.63 5.66 -1.26 -4.93 114.28 116.43 2dk4 n THR 49 Ca -0.05 -2.18 -0.03 0.00 -3.05 0.00 0.00 64.05 58.74 2dk4 n THR 49 Cb 0.64 0.77 0.06 0.00 -1.55 0.00 0.00 70.33 70.26 2dk4 n THR 49 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 2dk4 h ASP 50 N 1.48 0.03 0.69 1.09 3.32 -2.00 0.55 116.42 121.58 2dk4 h ASP 50 Ca -0.30 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 2dk4 h ASP 50 Cb 1.12 0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.78 2dk4 h ASP 50 CO 0.47 0.05 -0.33 0.22 -1.72 0.00 0.00 179.24 177.92 2dk4 h TYR 51 N 0.25 -0.86 -0.37 4.55 3.20 -1.97 0.27 116.97 122.05 2dk4 h TYR 51 Ca 0.25 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.16 2dk4 h TYR 51 Cb 0.32 0.28 -0.09 0.00 1.54 0.00 0.00 36.73 38.79 2dk4 h TYR 51 CO -0.21 -0.53 -0.43 0.22 -1.64 0.00 0.00 178.16 175.56 2dk4 h ASP 52 N -1.02 -1.43 -0.38 -2.11 1.82 -1.90 1.52 116.42 112.92 2dk4 h ASP 52 Ca -0.09 0.21 0.08 0.00 -0.39 0.00 0.00 57.03 56.84 2dk4 h ASP 52 Cb 0.71 0.62 -0.08 0.00 0.68 0.00 0.00 39.33 41.26 2dk4 h ASP 52 CO 0.16 -0.38 -0.14 0.00 -1.61 0.00 0.00 179.24 177.27 2dk4 h ALA 53 N 0.36 0.18 0.44 -0.78 0.00 0.09 0.30 119.26 119.85 2dk4 h ALA 53 Ca 0.13 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2dk4 h ALA 53 Cb 0.59 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2dk4 h ALA 53 CO -0.55 -0.50 -0.22 0.35 0.00 0.00 0.00 179.25 178.33 2dk4 h PHE 54 N -0.06 -0.56 -0.92 0.00 3.57 0.17 -2.69 116.94 116.44 2dk4 h PHE 54 Ca 0.19 -0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.91 2dk4 h PHE 54 Cb 0.34 0.19 -0.17 0.00 2.79 0.00 0.00 35.95 39.10 2dk4 h PHE 54 CO -0.37 -0.35 0.03 1.96 -2.23 0.00 0.00 178.31 177.34 2dk4 h GLN 55 N -0.60 0.05 -0.23 1.11 1.08 0.23 0.62 115.11 117.37 2dk4 h GLN 55 Ca -0.06 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2dk4 h GLN 55 Cb 0.46 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.82 2dk4 h GLN 55 CO 0.10 0.03 -0.42 -0.09 -0.95 0.00 0.00 178.83 177.49 2dk4 h ARG 56 N 0.05 -0.35 0.12 1.46 2.43 -0.24 0.30 114.38 118.15 2dk4 h ARG 56 Ca 0.54 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.73 2dk4 h ARG 56 Cb 1.07 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2dk4 h ARG 56 CO -0.84 -0.24 -0.06 1.25 -1.51 0.00 0.00 179.97 178.57 2dk4 h LEU 57 N -0.37 -0.14 -1.42 3.80 7.12 -0.56 0.39 115.31 124.14 2dk4 h LEU 57 Ca 0.04 -0.08 0.20 0.00 0.13 0.00 0.00 57.88 58.18 2dk4 h LEU 57 Cb 0.48 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.62 2dk4 h LEU 57 CO -0.41 -0.01 0.86 -0.09 -0.13 0.00 0.00 178.44 178.66 2dk4 h ARG 58 N -0.25 0.00 0.06 1.25 1.12 0.75 1.63 114.38 118.93 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 0.20 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.12 2dk4 h ARG 58 CO 0.03 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.06 2dk4 n LYS 59 N -3.37 0.70 -0.14 0.20 4.81 0.10 -3.92 118.16 116.54 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 34.45 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 -0.88 3.15 2.04 0.43 -1.86 117.51 121.56 2dk4 h ILE 60 Ca -0.41 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.22 2dk4 h ILE 60 Cb 2.03 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 38.68 2dk4 h ILE 60 CO 0.06 0.15 0.57 -0.33 0.00 0.00 0.00 178.15 178.60 2dk4 h GLU 61 N 0.54 0.69 0.90 2.37 4.39 -0.57 0.13 114.58 123.04 2dk4 h GLU 61 Ca 0.15 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dk4 h GLU 61 Cb 0.04 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 2dk4 h GLU 61 CO -0.02 0.46 -0.43 0.82 -1.16 0.00 0.00 179.01 178.67 2dk4 h ILE 62 N 0.71 0.00 0.17 3.13 2.04 -1.47 -2.21 117.51 119.88 2dk4 h ILE 62 Ca 0.44 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 66.29 2dk4 h ILE 62 Cb 0.67 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2dk4 h ILE 62 CO -0.20 0.00 -0.49 -0.07 0.00 0.00 0.00 178.15 177.39 2dk4 h LEU 63 N -1.22 -1.45 -7.66 1.44 3.38 -1.00 -3.39 115.31 105.42 2dk4 h LEU 63 Ca -0.12 0.15 -0.59 0.00 0.09 0.00 0.00 57.88 57.40 2dk4 h LEU 63 Cb 0.92 0.53 -0.38 0.00 0.09 0.00 0.00 40.66 41.82 2dk4 h LEU 63 CO 0.20 -0.53 -0.79 -0.89 0.09 0.00 0.00 178.44 176.52 2dk4 s THR 64 N -5.55 1.39 0.00 0.22 2.01 0.40 -5.12 115.64 108.98 2dk4 s THR 64 Ca -0.15 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 60.89 2dk4 s THR 64 Cb 0.05 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.97 2dk4 s THR 64 CO 0.56 0.04 0.00 -0.81 -0.69 0.00 0.00 174.62 173.71 2dk4 n PRO 65 N 4.75 0.54 -3.92 4.92 -0.04 -0.83 -3.93 135.00 136.49 2dk4 n PRO 65 Ca -0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.98 2dk4 n PRO 65 Cb 0.46 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.78 2dk4 n PRO 65 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2dk4 s GLU 66 N -0.92 3.42 0.09 0.54 0.41 -1.26 -4.99 118.70 115.98 2dk4 s GLU 66 Ca 0.00 -0.61 -0.35 0.00 -0.41 0.00 0.00 54.97 53.61 2dk4 s GLU 66 Cb 0.00 -3.04 -0.16 0.00 -1.78 0.00 0.00 34.13 29.15 2dk4 s GLU 66 CO 0.00 -0.18 1.58 0.28 -0.49 0.00 0.00 175.26 176.46 2dk4 h VAL 67 N 5.67 0.10 -1.57 2.63 2.07 -1.99 -3.46 116.25 119.70 2dk4 h VAL 67 Ca -0.41 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2dk4 h VAL 67 Cb 1.16 0.10 -0.25 0.00 -1.52 0.00 0.00 31.29 30.78 2dk4 h VAL 67 CO 0.60 0.00 0.50 0.20 0.02 0.00 0.00 177.57 178.89 2dk4 s ASN 68 N -4.40 -0.41 0.34 0.57 0.01 -1.26 -5.04 114.94 104.75 2dk4 s ASN 68 Ca -0.18 0.67 -0.28 0.00 -0.71 0.00 0.00 52.86 52.36 2dk4 s ASN 68 Cb 0.05 0.64 -0.10 0.00 0.41 0.00 0.00 41.25 42.25 2dk4 s ASN 68 CO 0.61 -0.21 1.28 -0.75 -1.51 0.00 0.00 177.10 176.52 2dk4 s LYS 69 N -0.26 4.32 0.00 -0.60 2.36 -1.26 -4.34 119.74 119.96 2dk4 s LYS 69 Ca 0.02 2.15 0.00 0.00 -2.55 0.00 0.00 55.97 55.58 2dk4 s LYS 69 Cb -0.03 -3.03 0.00 0.00 -1.05 0.00 0.00 37.83 33.72 2dk4 s LYS 69 CO -0.04 -0.19 0.00 0.41 1.55 0.00 0.00 175.35 177.09 2dk4 n GLY 70 N 0.81 1.34 0.83 5.54 0.00 -1.26 -4.79 105.19 107.67 2dk4 n GLY 70 Ca 0.01 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 2dk4 n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk4 n SER 71 N 0.00 1.08 0.00 1.61 7.64 -1.26 -5.16 113.62 117.52 2dk4 n SER 71 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2dk4 n SER 71 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2dk4 n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk4 n GLY 72 N 2.94 -0.19 0.10 0.23 0.00 -1.26 -4.99 105.19 102.03 2dk4 n GLY 72 Ca -0.05 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 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 0.06 -0.12 -4.67 1.61 0.13 -1.96 -3.47 132.00 123.57 2dk4 h PRO 73 Ca 0.00 0.01 -0.28 0.00 -0.87 0.00 0.00 66.00 64.86 2dk4 h PRO 73 Cb 0.00 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 30.96 2dk4 h PRO 73 CO 0.00 0.40 -0.73 0.45 -0.23 0.00 0.00 178.00 177.88 2dk4 s SER 74 N -5.67 1.00 -0.10 1.44 0.15 -1.26 -5.11 113.70 104.16 2dk4 s SER 74 Ca -0.13 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 55.59 2dk4 s SER 74 Cb -0.00 0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.30 2dk4 s SER 74 CO 0.49 -0.24 1.57 -0.94 1.20 0.00 0.00 173.24 175.32 2dk4 s SER 75 N -1.87 6.69 0.00 5.45 1.04 -1.26 -5.14 113.70 118.62 2dk4 s SER 75 Ca -0.05 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.43 2dk4 s SER 75 Cb -0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2dk4 s SER 75 CO -0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90