#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 -3.24 -3.62 1.61 7.64 -1.26 -5.16 113.62 109.59 2dk4 n SER 2 Ca 0.00 0.75 -0.03 0.00 1.01 0.00 0.00 58.87 60.60 2dk4 n SER 2 Cb 0.00 3.11 -0.03 0.00 -1.01 0.00 0.00 64.21 66.29 2dk4 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk4 s SER 3 N -2.00 -0.08 -0.04 6.43 0.01 -1.26 -5.18 113.70 111.58 2dk4 s SER 3 Ca 0.00 0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.21 2dk4 s SER 3 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.32 2dk4 s SER 3 CO 0.00 -0.12 0.18 -0.83 0.41 0.00 0.00 173.24 172.88 2dk4 s GLY 4 N -1.84 -0.07 -0.30 3.44 0.00 -1.26 -5.16 107.32 102.14 2dk4 s GLY 4 Ca 0.10 0.26 -0.26 0.00 0.00 0.00 0.00 44.72 44.81 2dk4 s GLY 4 CO -0.04 0.15 1.44 -0.56 0.00 0.00 0.00 173.10 174.08 2dk4 s SER 5 N -0.59 -0.03 -0.04 1.64 0.01 -1.26 -5.19 113.70 108.25 2dk4 s SER 5 Ca -0.07 0.05 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 2dk4 s SER 5 Cb -0.04 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.33 2dk4 s SER 5 CO 0.01 -0.01 0.84 -0.94 0.41 0.00 0.00 173.24 173.55 2dk4 s SER 6 N -0.34 -0.45 0.00 2.44 1.04 -1.26 -5.18 113.70 109.95 2dk4 s SER 6 Ca 0.08 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.79 2dk4 s SER 6 Cb -0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dk4 s SER 6 CO -0.13 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2dk4 n GLY 7 N 0.29 -0.93 1.62 7.32 0.00 -1.26 -5.17 105.19 107.05 2dk4 n GLY 7 Ca -0.12 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 4.31 -5.37 -3.63 2.61 -1.04 -1.26 -5.02 114.28 104.88 2dk4 n THR 8 Ca 0.00 2.43 -0.15 0.00 -2.04 0.00 0.00 64.05 64.29 2dk4 n THR 8 Cb 0.00 -3.33 -0.14 0.00 -1.82 0.00 0.00 70.33 65.04 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 -3.27 0.63 0.09 8.00 0.15 -1.26 -5.15 113.70 112.90 2dk4 s SER 9 Ca 0.00 0.38 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 2dk4 s SER 9 Cb 0.00 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.86 2dk4 s SER 9 CO 0.00 -0.26 0.30 -0.44 1.20 0.00 0.00 173.24 174.04 2dk4 s SER 10 N 2.37 -0.07 0.40 5.45 0.01 -1.26 -5.17 113.70 115.43 2dk4 s SER 10 Ca 0.03 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 56.88 2dk4 s SER 10 Cb -0.13 0.40 -0.01 0.00 0.21 0.00 0.00 66.02 66.49 2dk4 s SER 10 CO -0.08 -0.76 0.59 0.20 0.41 0.00 0.00 173.24 173.60 2dk4 s ASN 11 N -2.69 5.92 0.00 2.44 0.01 -1.26 -5.08 114.94 114.28 2dk4 s ASN 11 Ca 0.02 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.30 2dk4 s ASN 11 Cb 0.03 -1.47 0.00 0.00 0.41 0.00 0.00 41.25 40.22 2dk4 s ASN 11 CO -0.10 -0.57 0.09 -0.81 -1.51 0.00 0.00 177.10 174.20 2dk4 n PRO 12 N -1.90 0.00 -3.24 -0.60 -0.04 -1.26 -4.99 135.00 122.98 2dk4 n PRO 12 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2dk4 n PRO 12 Cb 0.58 -0.50 0.01 0.00 -0.04 0.00 0.00 33.50 33.55 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 -0.38 -3.94 -2.32 0.52 0.31 -1.26 -5.00 118.33 106.26 2dk4 n VAL 13 Ca 0.00 0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.83 2dk4 n VAL 13 Cb 0.00 -3.73 0.00 0.00 -0.91 0.00 0.00 33.84 29.20 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2dk4 n LEU 14 N 0.69 0.00 -3.34 7.52 0.00 -1.26 -4.67 117.00 115.93 2dk4 n LEU 14 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 56.01 55.90 2dk4 n LEU 14 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 43.86 2dk4 n LEU 14 CO 0.24 0.00 -0.05 -0.70 0.00 0.00 0.00 177.39 176.88 2dk4 s GLU 15 N 1.68 0.36 -0.26 1.96 2.12 -1.26 -4.75 118.70 118.55 2dk4 s GLU 15 Ca 0.00 0.49 -0.02 0.00 0.36 0.00 0.00 54.97 55.80 2dk4 s GLU 15 Cb 0.00 -0.45 0.11 0.00 0.26 0.00 0.00 34.13 34.05 2dk4 s GLU 15 CO 0.00 -0.68 0.23 -0.51 -0.54 0.00 0.00 175.26 173.76 2dk4 s LEU 16 N 2.55 -0.04 -0.58 2.70 1.43 -1.26 -5.06 118.68 118.42 2dk4 s LEU 16 Ca 0.13 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 52.51 2dk4 s LEU 16 Cb -0.15 0.29 0.15 0.00 0.03 0.00 0.00 46.19 46.51 2dk4 s LEU 16 CO -0.17 -0.37 0.42 -1.61 0.23 0.00 0.00 176.35 174.84 2dk4 s GLU 17 N 2.30 2.57 0.42 1.70 2.02 -1.26 -5.01 118.70 121.43 2dk4 s GLU 17 Ca 0.08 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 52.84 2dk4 s GLU 17 Cb -0.15 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2dk4 s GLU 17 CO -0.26 -1.17 0.00 1.28 0.02 0.00 0.00 175.26 175.13 2dk4 n LEU 18 N 4.05 -0.76 -3.18 1.80 7.99 -1.26 -4.75 117.00 120.90 2dk4 n LEU 18 Ca 0.03 1.73 -0.22 0.00 -0.01 0.00 0.00 56.01 57.54 2dk4 n LEU 18 Cb 0.40 -4.27 -0.05 0.00 -0.11 0.00 0.00 43.42 39.40 2dk4 n LEU 18 CO 0.35 -2.64 -0.17 0.00 -1.51 0.00 0.00 177.39 173.43 2dk4 n ALA 19 N -3.11 2.72 -2.75 -1.18 0.00 -1.26 -5.10 120.51 109.84 2dk4 n ALA 19 Ca -0.03 -3.72 -0.27 0.00 0.00 0.00 0.00 53.44 49.42 2dk4 n ALA 19 Cb 0.66 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 19.19 2dk4 n ALA 19 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2dk4 s GLU 20 N -2.20 2.72 -1.74 0.00 8.01 -1.26 -4.45 118.70 119.78 2dk4 s GLU 20 Ca 0.40 -0.93 0.00 0.00 0.01 0.00 0.00 54.97 54.44 2dk4 s GLU 20 Cb 0.26 -2.55 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 2dk4 s GLU 20 CO -0.09 0.48 0.00 0.39 0.01 0.00 0.00 175.26 176.05 2dk4 n GLU 21 N -0.18 -1.45 -0.43 1.61 1.02 -1.26 -4.95 120.64 115.01 2dk4 n GLU 21 Ca -0.09 1.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.87 2dk4 n GLU 21 Cb 0.54 -5.47 0.18 0.00 -0.02 0.00 0.00 31.44 26.67 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2dk4 n LYS 22 N -2.70 -2.13 -1.15 3.49 2.85 -1.26 -4.84 118.16 112.42 2dk4 n LYS 22 Ca -0.21 -0.87 -0.36 0.00 -1.05 0.00 0.00 58.31 55.82 2dk4 n LYS 22 Cb 0.65 -1.53 0.06 0.00 -0.65 0.00 0.00 35.03 33.57 2dk4 n LYS 22 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2dk4 n LEU 23 N 0.00 -1.05 0.00 -5.58 4.32 -1.26 -4.98 117.00 108.45 2dk4 n LEU 23 Ca 0.08 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 2dk4 n LEU 23 Cb 0.36 -1.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.07 2dk4 n LEU 23 CO 0.23 -3.89 0.00 -0.81 -1.22 0.00 0.00 177.39 171.70 2dk4 n PRO 24 N -0.05 0.62 -1.53 3.23 -0.04 -1.26 -4.77 135.00 131.20 2dk4 n PRO 24 Ca 0.07 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.25 2dk4 n PRO 24 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.45 -2.55 0.54 1.56 -1.26 -4.69 117.12 110.85 2dk4 n MET 25 Ca 0.00 -0.23 -0.12 0.00 -0.27 0.00 0.00 57.70 57.08 2dk4 n MET 25 Cb 0.00 -2.56 0.03 0.00 2.15 0.00 0.00 33.22 32.84 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 7.58 1.66 -3.37 1.12 -2.24 -1.26 -5.00 114.28 112.77 2dk4 n THR 26 Ca 0.53 -3.55 -0.08 0.00 -2.27 0.00 0.00 64.05 58.67 2dk4 n THR 26 Cb 0.31 0.20 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 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 -3.55 -0.68 0.79 3.22 1.43 -1.26 -5.09 118.68 113.54 2dk4 s LEU 27 Ca 0.36 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2dk4 s LEU 27 Cb 0.39 1.20 0.07 0.00 0.03 0.00 0.00 46.19 47.88 2dk4 s LEU 27 CO -0.02 -0.29 1.09 -0.44 0.23 0.00 0.00 176.35 176.91 2dk4 s SER 28 N 2.57 4.45 0.18 2.29 0.01 -1.26 -4.59 113.70 117.34 2dk4 s SER 28 Ca 0.12 1.50 -0.25 0.00 1.31 0.00 0.00 55.95 58.63 2dk4 s SER 28 Cb -0.15 -2.25 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2dk4 s SER 28 CO -0.16 -2.02 1.47 0.54 0.41 0.00 0.00 173.24 173.48 2dk4 n ARG 29 N -3.49 -0.35 -0.27 12.44 1.74 -1.26 0.19 116.66 125.66 2dk4 n ARG 29 Ca 0.07 1.45 0.05 0.00 -0.77 0.00 0.00 57.85 58.65 2dk4 n ARG 29 Cb 0.55 -2.13 0.28 0.00 -1.02 0.00 0.00 32.46 30.13 2dk4 n ARG 29 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 2dk4 h GLN 30 N 0.00 0.91 0.00 5.56 3.07 -1.97 1.27 115.11 123.96 2dk4 h GLN 30 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.84 2dk4 h GLN 30 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 2dk4 h GLN 30 CO -0.91 0.61 -0.27 1.49 0.09 0.00 0.00 178.83 179.83 2dk4 h GLU 31 N 0.94 0.00 0.00 0.06 4.57 0.17 0.78 114.58 121.11 2dk4 h GLU 31 Ca 0.37 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.37 2dk4 h GLU 31 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2dk4 h GLU 31 CO -0.14 0.27 -1.43 0.28 -1.18 0.00 0.00 179.01 176.81 2dk4 h VAL 32 N 0.00 0.56 0.04 0.32 2.07 0.27 -3.33 116.25 116.18 2dk4 h VAL 32 Ca -0.00 -2.11 -0.16 0.00 0.82 0.00 0.00 66.70 65.25 2dk4 h VAL 32 Cb 0.50 2.10 0.02 0.00 -1.52 0.00 0.00 31.29 32.38 2dk4 h VAL 32 CO 0.04 0.32 -0.67 0.40 0.02 0.00 0.00 177.57 177.67 2dk4 h ILE 33 N 0.00 1.45 -0.00 4.57 2.04 0.21 -3.06 117.51 122.72 2dk4 h ILE 33 Ca -0.18 -2.22 0.00 0.00 1.00 0.00 0.00 64.86 63.46 2dk4 h ILE 33 Cb 1.65 2.78 -0.00 0.00 -0.74 0.00 0.00 36.82 40.51 2dk4 h ILE 33 CO 0.05 0.64 -0.01 0.03 0.00 0.00 0.00 178.15 178.86 2dk4 h ARG 34 N -0.18 -0.01 -0.09 2.37 3.08 0.43 0.58 114.38 120.55 2dk4 h ARG 34 Ca -0.10 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.97 2dk4 h ARG 34 Cb 1.42 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 2dk4 h ARG 34 CO 0.13 -0.01 -0.12 0.00 -1.07 0.00 0.00 179.97 178.90 2dk4 h ARG 35 N -0.01 -0.08 -0.93 0.04 3.08 -1.72 0.61 114.38 115.37 2dk4 h ARG 35 Ca 0.00 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.26 2dk4 h ARG 35 Cb 0.01 0.02 -0.18 0.00 0.08 0.00 0.00 29.97 29.90 2dk4 h ARG 35 CO -0.01 -0.05 -0.16 1.28 -1.07 0.00 0.00 179.97 179.96 2dk4 n LEU 36 N -3.28 -0.27 0.24 3.04 4.77 -1.15 0.77 117.00 121.12 2dk4 n LEU 36 Ca -0.01 1.60 -0.16 0.00 -0.03 0.00 0.00 56.01 57.42 2dk4 n LEU 36 Cb 0.07 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 2dk4 n LEU 36 CO 0.00 -1.56 0.71 0.03 -1.33 0.00 0.00 177.39 175.24 2dk4 h ARG 37 N 0.00 -0.59 0.00 3.23 3.08 0.22 0.52 114.38 120.85 2dk4 h ARG 37 Ca 0.48 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.57 2dk4 h ARG 37 Cb 0.83 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.01 2dk4 h ARG 37 CO -0.94 -0.39 0.00 0.39 -1.07 0.00 0.00 179.97 177.96 2dk4 n GLU 38 N -5.37 0.14 0.02 0.04 1.02 0.23 0.15 120.64 116.88 2dk4 n GLU 38 Ca -0.11 0.64 0.11 0.00 -0.02 0.00 0.00 57.16 57.78 2dk4 n GLU 38 Cb 0.27 -1.97 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 2dk4 n GLU 38 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dk4 n ARG 39 N -2.28 0.53 -0.47 3.49 5.12 0.22 -4.96 116.66 118.30 2dk4 n ARG 39 Ca -0.01 -0.09 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2dk4 n ARG 39 Cb 0.04 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 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 1.28 0.75 3.83 -0.13 0.00 0.14 -5.05 105.19 106.02 2dk4 n GLY 40 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 3.45 -0.22 1.61 0.41 0.11 -4.96 118.70 118.58 2dk4 s GLU 41 Ca 0.00 0.98 -0.29 0.00 -0.41 0.00 0.00 54.97 55.25 2dk4 s GLU 41 Cb 0.00 -2.06 -0.01 0.00 -1.78 0.00 0.00 34.13 30.28 2dk4 s GLU 41 CO 0.00 -0.69 1.30 -1.25 -0.49 0.00 0.00 175.26 174.14 2dk4 s PRO 42 N -4.55 4.07 0.41 0.39 0.04 -1.26 -4.17 135.00 129.93 2dk4 s PRO 42 Ca 0.59 1.50 0.13 0.00 0.04 0.00 0.00 61.00 63.26 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 0.44 -0.91 1.93 -0.84 0.04 0.00 0.00 177.00 177.65 2dk4 h ILE 43 N 5.73 0.85 -3.22 0.56 3.07 -1.91 -3.35 117.51 119.23 2dk4 h ILE 43 Ca -0.27 -0.17 -0.52 0.00 1.55 0.00 0.00 64.86 65.46 2dk4 h ILE 43 Cb 1.10 0.32 -0.40 0.00 -0.27 0.00 0.00 36.82 37.57 2dk4 h ILE 43 CO 1.00 0.09 -0.76 -0.60 -1.05 0.00 0.00 178.15 176.82 2dk4 s ARG 44 N -5.47 0.58 0.26 0.16 6.06 -1.26 -4.90 118.95 114.39 2dk4 s ARG 44 Ca -0.08 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.66 2dk4 s ARG 44 Cb 0.21 -2.04 0.06 0.00 0.06 0.00 0.00 34.95 33.24 2dk4 s ARG 44 CO 0.77 -0.69 0.32 1.28 -2.50 0.00 0.00 175.30 174.48 2dk4 n LEU 45 N 5.06 0.00 -4.42 -0.88 4.32 -1.26 -4.93 117.00 114.90 2dk4 n LEU 45 Ca -0.08 -0.35 -0.44 0.00 -0.02 0.00 0.00 56.01 55.12 2dk4 n LEU 45 Cb 0.47 -0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2dk4 n LEU 45 CO 0.12 -0.89 1.62 0.33 -1.22 0.00 0.00 177.39 177.35 2dk4 n PHE 46 N -2.64 4.70 0.00 -1.77 -0.00 -1.26 -4.00 117.46 112.49 2dk4 n PHE 46 Ca 0.04 -3.18 0.00 0.00 -0.00 0.00 0.00 57.45 54.31 2dk4 n PHE 46 Cb 0.15 -2.29 0.00 0.00 -0.00 0.00 0.00 39.48 37.34 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 4.29 0.69 3.40 7.13 0.00 -1.26 -5.15 105.19 114.28 2dk4 n GLY 47 Ca 0.40 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.56 1.47 0.00 1.61 2.02 -1.26 -5.08 118.70 116.90 2dk4 s GLU 48 Ca 0.00 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.27 2dk4 s GLU 48 Cb 0.00 -1.12 0.00 0.00 0.10 0.00 0.00 34.13 33.11 2dk4 s GLU 48 CO 0.00 0.08 0.00 -2.37 0.02 0.00 0.00 175.26 172.99 2dk4 n THR 49 N -0.51 0.00 -0.08 3.63 5.66 -1.26 -4.93 114.28 116.79 2dk4 n THR 49 Ca -0.06 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.84 2dk4 n THR 49 Cb 0.62 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.38 2dk4 n THR 49 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2dk4 h ASP 50 N 0.00 0.34 0.52 1.09 2.03 -2.00 -1.02 116.42 117.38 2dk4 h ASP 50 Ca 0.00 -0.08 -0.03 0.00 -0.73 0.00 0.00 57.03 56.19 2dk4 h ASP 50 Cb 0.00 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.42 2dk4 h ASP 50 CO 0.00 0.33 -0.25 0.22 -1.03 0.00 0.00 179.24 178.51 2dk4 h TYR 51 N 0.33 -0.64 -0.90 4.15 3.20 -1.98 -1.04 116.97 120.09 2dk4 h TYR 51 Ca 0.10 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.03 2dk4 h TYR 51 Cb 0.06 0.21 -0.11 0.00 1.54 0.00 0.00 36.73 38.44 2dk4 h TYR 51 CO -0.03 -0.40 -0.54 0.22 -1.64 0.00 0.00 178.16 175.77 2dk4 h ASP 52 N -0.92 -1.98 -0.25 -2.11 1.82 -1.95 1.59 116.42 112.61 2dk4 h ASP 52 Ca -0.07 0.30 0.06 0.00 -0.39 0.00 0.00 57.03 56.93 2dk4 h ASP 52 Cb 0.53 0.87 -0.08 0.00 0.68 0.00 0.00 39.33 41.34 2dk4 h ASP 52 CO 0.12 -0.22 -0.36 0.00 -1.61 0.00 0.00 179.24 177.16 2dk4 h ALA 53 N 0.36 -0.38 0.23 -0.78 0.00 -1.25 0.39 119.26 117.82 2dk4 h ALA 53 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2dk4 h ALA 53 Cb 0.38 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dk4 h ALA 53 CO -0.85 -0.82 -0.25 0.35 0.00 0.00 0.00 179.25 177.68 2dk4 h PHE 54 N -0.37 -0.68 -0.84 0.00 3.57 0.90 -1.75 116.94 117.77 2dk4 h PHE 54 Ca 0.12 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.78 2dk4 h PHE 54 Cb 0.57 0.27 -0.15 0.00 2.79 0.00 0.00 35.95 39.43 2dk4 h PHE 54 CO -0.50 -0.32 -0.31 1.96 -2.23 0.00 0.00 178.31 176.91 2dk4 h GLN 55 N -0.48 -0.04 -0.23 1.11 1.08 0.24 0.98 115.11 117.78 2dk4 h GLN 55 Ca -0.03 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2dk4 h GLN 55 Cb 0.42 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 2dk4 h GLN 55 CO -0.04 -0.03 -0.35 -0.09 -0.95 0.00 0.00 178.83 177.37 2dk4 h ARG 56 N -0.04 -0.26 -0.06 1.46 2.43 0.04 0.16 114.38 118.12 2dk4 h ARG 56 Ca 0.35 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.56 2dk4 h ARG 56 Cb 0.60 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2dk4 h ARG 56 CO -0.87 -0.17 -0.08 1.25 -1.51 0.00 0.00 179.97 178.59 2dk4 h LEU 57 N -0.27 -0.24 -1.51 3.80 7.12 -0.21 0.95 115.31 124.96 2dk4 h LEU 57 Ca 0.04 0.05 0.22 0.00 0.13 0.00 0.00 57.88 58.32 2dk4 h LEU 57 Cb 0.38 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 40.60 2dk4 h LEU 57 CO -0.36 -0.11 0.86 -0.09 -0.13 0.00 0.00 178.44 178.61 2dk4 h ARG 58 N -0.11 0.00 0.06 1.25 1.12 0.18 1.62 114.38 118.50 2dk4 h ARG 58 Ca 0.05 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.59 2dk4 h ARG 58 Cb 0.18 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.11 2dk4 h ARG 58 CO -0.12 0.00 -1.93 1.17 -3.11 0.00 0.00 179.97 175.98 2dk4 n LYS 59 N -3.47 0.70 -0.11 0.20 4.81 0.49 -3.84 118.16 116.93 2dk4 n LYS 59 Ca 0.16 0.25 -0.09 0.00 -0.87 0.00 0.00 58.31 57.77 2dk4 n LYS 59 Cb 1.12 -1.72 -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 1.14 -0.88 3.15 2.04 0.44 -2.15 117.51 121.28 2dk4 h ILE 60 Ca -0.38 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.23 2dk4 h ILE 60 Cb 2.03 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 38.76 2dk4 h ILE 60 CO 0.07 0.15 0.50 -0.33 0.00 0.00 0.00 178.15 178.54 2dk4 h GLU 61 N 0.45 0.76 0.79 2.37 4.39 -0.63 -2.07 114.58 120.65 2dk4 h GLU 61 Ca 0.13 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2dk4 h GLU 61 Cb 0.06 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2dk4 h GLU 61 CO -0.02 0.50 -0.46 0.82 -1.16 0.00 0.00 179.01 178.69 2dk4 h ILE 62 N 0.78 0.06 -0.62 3.13 2.04 -1.52 -3.07 117.51 118.31 2dk4 h ILE 62 Ca 0.45 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.36 2dk4 h ILE 62 Cb 0.50 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2dk4 h ILE 62 CO -0.29 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.42 2dk4 h LEU 63 N -1.17 -1.36 -9.92 1.44 3.38 -0.79 -3.39 115.31 103.50 2dk4 h LEU 63 Ca -0.11 0.21 -0.56 0.00 0.09 0.00 0.00 57.88 57.51 2dk4 h LEU 63 Cb 0.93 0.60 0.13 0.00 0.09 0.00 0.00 40.66 42.41 2dk4 h LEU 63 CO 0.12 -0.15 0.56 0.41 0.09 0.00 0.00 178.44 179.47 2dk4 n THR 64 N -4.41 2.97 0.05 0.22 -1.04 -0.84 -4.92 114.28 106.31 2dk4 n THR 64 Ca 0.01 -0.50 -0.14 0.00 -2.04 0.00 0.00 64.05 61.38 2dk4 n THR 64 Cb 0.16 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 66.99 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 1.92 0.49 -3.46 -2.82 0.13 -1.81 -3.46 132.00 122.99 2dk4 h PRO 65 Ca -0.49 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.16 2dk4 h PRO 65 Cb 1.29 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2dk4 h PRO 65 CO 0.59 1.12 -0.80 0.39 -0.23 0.00 0.00 178.00 179.07 2dk4 n GLU 66 N -3.80 -4.39 0.29 0.86 1.02 -1.26 -4.65 120.64 108.71 2dk4 n GLU 66 Ca -0.07 3.17 0.16 0.00 -0.02 0.00 0.00 57.16 60.40 2dk4 n GLU 66 Cb 0.80 -3.47 0.92 0.00 -0.02 0.00 0.00 31.44 29.67 2dk4 n GLU 66 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 2dk4 h VAL 67 N 2.63 0.49 -4.02 2.62 -1.51 -2.02 -3.41 116.25 111.03 2dk4 h VAL 67 Ca 0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 66.70 65.00 2dk4 h VAL 67 Cb 0.00 0.98 0.02 0.00 -2.13 0.00 0.00 31.29 30.15 2dk4 h VAL 67 CO 0.00 0.00 0.39 0.21 -1.23 0.00 0.00 177.57 176.94 2dk4 s ASN 68 N -6.05 6.59 -0.08 4.19 2.47 -1.26 -5.05 114.94 115.75 2dk4 s ASN 68 Ca -0.05 1.95 -0.00 0.00 0.42 0.00 0.00 52.86 55.18 2dk4 s ASN 68 Cb 0.15 -2.57 0.02 0.00 -1.45 0.00 0.00 41.25 37.40 2dk4 s ASN 68 CO 0.54 -0.61 -0.04 -0.75 -3.72 0.00 0.00 177.10 172.52 2dk4 s LYS 69 N -2.89 1.00 0.99 0.43 2.47 -1.26 -5.07 119.74 115.41 2dk4 s LYS 69 Ca 0.62 -0.08 -0.17 0.00 -1.56 0.00 0.00 55.97 54.78 2dk4 s LYS 69 Cb -0.18 -1.14 -0.13 0.00 -1.46 0.00 0.00 37.83 34.91 2dk4 s LYS 69 CO 0.23 -0.21 -0.69 0.41 0.16 0.00 0.00 175.35 175.24 2dk4 n GLY 70 N 4.72 -4.41 3.94 5.54 0.00 -1.26 -4.95 105.19 108.77 2dk4 n GLY 70 Ca -0.14 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.10 6.29 0.00 1.61 0.15 -1.26 -5.04 113.70 114.36 2dk4 s SER 71 Ca 0.42 0.42 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dk4 s SER 71 Cb -0.18 -2.01 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 2dk4 s SER 71 CO 0.81 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.58 2dk4 n GLY 72 N -1.76 1.36 3.73 9.45 0.00 -1.26 -5.13 105.19 111.57 2dk4 n GLY 72 Ca -0.05 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 4.53 -0.20 1.61 0.04 -1.26 -4.79 135.00 134.93 2dk4 s PRO 73 Ca 0.00 1.74 -0.33 0.00 0.04 0.00 0.00 61.00 62.44 2dk4 s PRO 73 Cb 0.00 -3.30 0.15 0.00 0.04 0.00 0.00 34.50 31.39 2dk4 s PRO 73 CO 0.00 -0.04 1.21 -1.54 0.04 0.00 0.00 177.00 176.67 2dk4 s SER 74 N 0.30 -0.14 0.10 6.66 1.04 -1.26 -5.10 113.70 115.30 2dk4 s SER 74 Ca 0.52 0.05 0.05 0.00 0.48 0.00 0.00 55.95 57.05 2dk4 s SER 74 Cb -0.29 0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 2dk4 s SER 74 CO 0.33 -0.21 -0.12 -0.44 0.98 0.00 0.00 173.24 173.78 2dk4 s SER 75 N -1.85 1.71 0.00 7.02 0.01 -1.26 -4.52 113.70 114.81 2dk4 s SER 75 Ca 0.08 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2dk4 s SER 75 Cb -0.01 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2dk4 s SER 75 CO -0.05 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.03