#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 -0.03 0.00 1.61 0.15 -1.26 -5.19 113.70 108.98 2dk4 s SER 2 Ca 0.00 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.66 2dk4 s SER 2 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2dk4 s SER 2 CO 0.00 -0.04 0.00 -1.54 1.20 0.00 0.00 173.24 172.86 2dk4 n SER 3 N 0.10 0.00 -3.64 5.45 3.41 -1.26 -5.19 113.62 112.49 2dk4 n SER 3 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2dk4 n SER 3 Cb 0.57 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.53 2dk4 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk4 s GLY 4 N 0.00 -0.14 -0.29 5.00 0.00 -1.26 -5.18 107.32 105.45 2dk4 s GLY 4 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 44.72 44.54 2dk4 s GLY 4 CO 0.00 2.94 1.41 -0.45 0.00 0.00 0.00 173.10 177.00 2dk4 s SER 5 N -3.43 -0.03 -0.04 1.64 0.15 -1.26 -5.19 113.70 105.56 2dk4 s SER 5 Ca 0.22 0.04 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 2dk4 s SER 5 Cb 0.00 0.03 0.11 0.00 -1.71 0.00 0.00 66.02 64.45 2dk4 s SER 5 CO 0.00 -0.02 0.91 -0.44 1.20 0.00 0.00 173.24 174.90 2dk4 s SER 6 N -0.62 -0.36 0.02 5.45 0.01 -1.26 -5.19 113.70 111.75 2dk4 s SER 6 Ca 0.09 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.39 2dk4 s SER 6 Cb -0.02 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.58 2dk4 s SER 6 CO -0.11 -0.56 0.12 0.61 0.41 0.00 0.00 173.24 173.71 2dk4 n GLY 7 N -0.08 1.20 3.30 3.44 0.00 -1.26 -5.14 105.19 106.65 2dk4 n GLY 7 Ca -0.09 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.50 3.55 -0.08 2.61 -4.23 -1.26 -5.05 115.64 108.68 2dk4 s THR 8 Ca 0.03 -0.72 -0.32 0.00 -1.18 0.00 0.00 61.69 59.50 2dk4 s THR 8 Cb -0.00 -2.77 0.13 0.00 1.34 0.00 0.00 72.50 71.20 2dk4 s THR 8 CO 0.01 0.20 1.33 -0.44 -0.54 0.00 0.00 174.62 175.17 2dk4 s SER 9 N 1.45 -0.05 0.31 3.99 0.01 -1.26 -5.16 113.70 112.99 2dk4 s SER 9 Ca 0.03 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2dk4 s SER 9 Cb -0.16 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2dk4 s SER 9 CO -0.01 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.22 2dk4 n SER 10 N -0.40 -5.24 -2.57 2.44 2.88 -1.26 -5.03 113.62 104.44 2dk4 n SER 10 Ca -0.07 0.80 -0.05 0.00 -1.33 0.00 0.00 58.87 58.22 2dk4 n SER 10 Cb 0.62 -2.23 -0.04 0.00 -0.75 0.00 0.00 64.21 61.80 2dk4 n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2dk4 n ASN 11 N -2.79 -1.61 -2.88 -3.46 2.85 -1.26 -4.69 115.26 101.43 2dk4 n ASN 11 Ca 0.01 1.44 -0.23 0.00 -0.11 0.00 0.00 54.58 55.69 2dk4 n ASN 11 Cb 0.34 -5.31 -0.06 0.00 1.24 0.00 0.00 39.78 35.99 2dk4 n ASN 11 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2dk4 n PRO 12 N 1.75 2.38 -4.25 1.20 -0.04 -1.26 -4.84 135.00 129.94 2dk4 n PRO 12 Ca -0.37 -1.45 -0.23 0.00 -0.04 0.00 0.00 63.50 61.41 2dk4 n PRO 12 Cb 0.58 -2.37 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 2dk4 n PRO 12 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dk4 s VAL 13 N 2.43 3.69 -0.21 0.52 0.11 -1.26 -4.89 120.40 120.78 2dk4 s VAL 13 Ca 0.52 -1.79 -0.04 0.00 -2.93 0.00 0.00 61.98 57.74 2dk4 s VAL 13 Cb 0.17 -2.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.06 2dk4 s VAL 13 CO -0.03 -0.37 0.08 0.18 -3.33 0.00 0.00 175.10 171.64 2dk4 n LEU 14 N -0.96 -6.21 -4.39 2.54 4.77 -1.26 -5.07 117.00 106.42 2dk4 n LEU 14 Ca -0.07 1.44 -0.19 0.00 -0.03 0.00 0.00 56.01 57.16 2dk4 n LEU 14 Cb 0.59 -2.87 -0.10 0.00 -2.33 0.00 0.00 43.42 38.71 2dk4 n LEU 14 CO 0.41 -2.86 -0.28 -1.61 -1.33 0.00 0.00 177.39 171.72 2dk4 s GLU 15 N -1.07 1.52 -0.24 3.23 0.41 -1.26 -5.14 118.70 116.14 2dk4 s GLU 15 Ca -0.10 -1.82 -0.02 0.00 -0.41 0.00 0.00 54.97 52.62 2dk4 s GLU 15 Cb 0.01 -0.66 0.12 0.00 -1.78 0.00 0.00 34.13 31.82 2dk4 s GLU 15 CO 0.63 -0.19 0.31 -0.51 -0.49 0.00 0.00 175.26 175.01 2dk4 s LEU 16 N -3.40 -0.38 0.83 1.80 1.43 -1.26 -5.15 118.68 112.54 2dk4 s LEU 16 Ca 0.35 -0.19 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 2dk4 s LEU 16 Cb 0.08 0.74 0.09 0.00 0.03 0.00 0.00 46.19 47.12 2dk4 s LEU 16 CO 0.14 -0.33 1.13 -1.61 0.23 0.00 0.00 176.35 175.90 2dk4 s GLU 17 N 2.43 1.81 0.21 1.70 2.02 -1.26 -4.93 118.70 120.68 2dk4 s GLU 17 Ca 0.10 0.36 -0.22 0.00 0.02 0.00 0.00 54.97 55.23 2dk4 s GLU 17 Cb -0.15 -1.91 0.05 0.00 0.10 0.00 0.00 34.13 32.22 2dk4 s GLU 17 CO -0.20 -1.75 0.65 -1.17 0.02 0.00 0.00 175.26 172.82 2dk4 s LEU 18 N -5.77 -0.44 0.00 1.80 2.96 -1.26 -5.12 118.68 110.84 2dk4 s LEU 18 Ca 0.62 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 2dk4 s LEU 18 Cb -0.13 2.64 0.00 0.00 0.50 0.00 0.00 46.19 49.20 2dk4 s LEU 18 CO 0.52 -1.12 0.00 0.00 -1.32 0.00 0.00 176.35 174.43 2dk4 n ALA 19 N -0.41 0.00 -1.18 5.97 0.00 -1.26 -5.07 120.51 118.56 2dk4 n ALA 19 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.48 2dk4 n ALA 19 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.57 -2.57 0.00 2.13 -1.26 -4.71 120.64 111.66 2dk4 n GLU 20 Ca 0.00 1.92 -0.02 0.00 0.66 0.00 0.00 57.16 59.72 2dk4 n GLU 20 Cb 0.00 -3.06 -0.00 0.00 0.27 0.00 0.00 31.44 28.64 2dk4 n GLU 20 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2dk4 n GLU 21 N -3.99 -2.90 -0.73 5.31 2.13 -1.26 -4.82 120.64 114.39 2dk4 n GLU 21 Ca -0.03 0.02 -0.31 0.00 0.66 0.00 0.00 57.16 57.50 2dk4 n GLU 21 Cb 0.55 -4.53 0.13 0.00 0.27 0.00 0.00 31.44 27.87 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2dk4 n LYS 22 N -2.56 -1.32 -3.58 5.31 2.85 -1.26 -4.97 118.16 112.62 2dk4 n LYS 22 Ca 0.00 -0.38 -0.25 0.00 -1.05 0.00 0.00 58.31 56.63 2dk4 n LYS 22 Cb 0.50 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.39 2dk4 n LYS 22 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2dk4 s LEU 23 N 1.43 4.14 0.00 -5.58 1.02 -1.26 -5.11 118.68 113.32 2dk4 s LEU 23 Ca 0.46 0.39 0.00 0.00 0.02 0.00 0.00 54.13 55.01 2dk4 s LEU 23 Cb -0.05 -3.21 0.00 0.00 0.02 0.00 0.00 46.19 42.95 2dk4 s LEU 23 CO 0.59 -0.16 0.00 -0.81 0.02 0.00 0.00 176.35 175.99 2dk4 n PRO 24 N -1.26 0.18 -1.66 1.29 -0.04 -1.26 -4.91 135.00 127.34 2dk4 n PRO 24 Ca -0.05 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.98 2dk4 n PRO 24 Cb 0.55 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.68 2.82 -0.05 0.54 2.81 -1.26 -4.83 117.12 116.46 2dk4 n MET 25 Ca 0.00 1.03 -0.06 0.00 -1.81 0.00 0.00 57.70 56.86 2dk4 n MET 25 Cb 0.00 -2.98 -0.07 0.00 -0.71 0.00 0.00 33.22 29.46 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 5.45 0.69 -4.36 2.03 -2.24 -1.26 -4.98 114.28 109.61 2dk4 n THR 26 Ca 0.20 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 2dk4 n THR 26 Cb 0.40 -0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 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 -5.08 3.50 0.70 3.22 1.43 -1.26 -5.10 118.68 116.09 2dk4 s LEU 27 Ca -0.09 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 2dk4 s LEU 27 Cb 0.03 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2dk4 s LEU 27 CO 0.36 0.30 1.06 -0.44 0.23 0.00 0.00 176.35 177.87 2dk4 s SER 28 N -0.41 5.38 0.19 2.29 0.01 -1.26 -4.74 113.70 115.15 2dk4 s SER 28 Ca 0.07 1.51 -0.26 0.00 1.31 0.00 0.00 55.95 58.59 2dk4 s SER 28 Cb -0.12 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 63.77 2dk4 s SER 28 CO 0.02 -1.43 1.54 0.08 0.41 0.00 0.00 173.24 173.87 2dk4 h ARG 29 N -0.71 -0.00 -0.39 12.44 0.11 -1.98 0.55 114.38 124.40 2dk4 h ARG 29 Ca -0.44 0.00 0.07 0.00 0.10 0.00 0.00 59.98 59.70 2dk4 h ARG 29 Cb 1.22 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.24 2dk4 h ARG 29 CO 0.58 -0.00 0.03 0.37 0.10 0.00 0.00 179.97 181.05 2dk4 h GLN 30 N -0.00 0.14 -0.12 0.08 4.15 -1.97 1.28 115.11 118.67 2dk4 h GLN 30 Ca 0.24 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.68 2dk4 h GLN 30 Cb 0.49 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 2dk4 h GLN 30 CO -0.96 0.09 0.20 1.49 -1.93 0.00 0.00 178.83 177.72 2dk4 h GLU 31 N 0.14 0.00 0.00 1.69 4.57 -0.41 1.08 114.58 121.65 2dk4 h GLU 31 Ca 0.19 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.04 2dk4 h GLU 31 Cb 0.25 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.78 2dk4 h GLU 31 CO -0.29 0.00 -2.03 0.28 -1.18 0.00 0.00 179.01 175.79 2dk4 n VAL 32 N -3.50 1.52 0.01 0.32 0.31 0.91 -4.01 118.33 113.89 2dk4 n VAL 32 Ca 0.00 -0.82 -0.14 0.00 -0.01 0.00 0.00 64.34 63.38 2dk4 n VAL 32 Cb 0.30 -0.81 -0.03 0.00 -0.91 0.00 0.00 33.84 32.39 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 0.00 1.32 0.00 2.52 2.04 0.43 -2.67 117.51 121.15 2dk4 h ILE 33 Ca -0.41 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.40 2dk4 h ILE 33 Cb 2.12 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 40.23 2dk4 h ILE 33 CO 0.05 0.63 0.00 -1.14 0.00 0.00 0.00 178.15 177.70 2dk4 n ARG 34 N -3.89 0.00 0.00 2.37 0.63 0.34 0.08 116.66 116.20 2dk4 n ARG 34 Ca -0.06 0.66 -0.09 0.00 -0.92 0.00 0.00 57.85 57.43 2dk4 n ARG 34 Cb 0.73 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 32.08 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2dk4 h ARG 35 N 0.00 -0.35 -0.96 -0.14 3.08 -1.70 0.57 114.38 114.88 2dk4 h ARG 35 Ca 0.00 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.24 2dk4 h ARG 35 Cb 0.00 0.08 -0.17 0.00 0.08 0.00 0.00 29.97 29.96 2dk4 h ARG 35 CO 0.00 -0.24 -0.31 1.28 -1.07 0.00 0.00 179.97 179.63 2dk4 n LEU 36 N -4.31 -0.49 0.47 3.04 4.77 -1.01 0.19 117.00 119.66 2dk4 n LEU 36 Ca -0.04 1.67 -0.20 0.00 -0.03 0.00 0.00 56.01 57.41 2dk4 n LEU 36 Cb 0.23 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2dk4 n LEU 36 CO 0.06 -1.55 0.56 0.03 -1.33 0.00 0.00 177.39 175.16 2dk4 h ARG 37 N 0.00 -1.18 -0.80 3.23 3.08 0.87 1.60 114.38 121.17 2dk4 h ARG 37 Ca 0.39 0.08 0.22 0.00 0.07 0.00 0.00 59.98 60.75 2dk4 h ARG 37 Cb 0.64 0.27 -0.04 0.00 0.08 0.00 0.00 29.97 30.92 2dk4 h ARG 37 CO -0.97 -0.79 0.57 0.93 -1.07 0.00 0.00 179.97 178.63 2dk4 h GLU 38 N -1.23 0.08 0.00 0.04 4.39 0.32 1.05 114.58 119.22 2dk4 h GLU 38 Ca -0.12 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2dk4 h GLU 38 Cb 0.96 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2dk4 h GLU 38 CO 0.17 0.05 -0.38 0.00 -1.16 0.00 0.00 179.01 177.70 2dk4 h ARG 39 N 0.08 0.00 0.00 2.33 2.47 0.27 -3.47 114.38 116.06 2dk4 h ARG 39 Ca 0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 2dk4 h ARG 39 Cb 1.42 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 2dk4 h ARG 39 CO -0.04 0.02 0.00 0.41 0.56 0.00 0.00 179.97 180.93 2dk4 n GLY 40 N 1.14 0.79 3.84 0.04 0.00 0.36 -5.04 105.19 106.31 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 -0.63 3.61 -0.17 1.61 0.41 0.48 -4.93 118.70 119.09 2dk4 s GLU 41 Ca 0.00 0.94 -0.29 0.00 -0.41 0.00 0.00 54.97 55.21 2dk4 s GLU 41 Cb 0.00 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.25 2dk4 s GLU 41 CO 0.00 -0.55 1.28 -1.25 -0.49 0.00 0.00 175.26 174.25 2dk4 s PRO 42 N -4.50 4.21 0.40 0.39 0.04 -1.26 -4.02 135.00 130.25 2dk4 s PRO 42 Ca 0.59 1.65 0.28 0.00 0.04 0.00 0.00 61.00 63.56 2dk4 s PRO 42 Cb -0.12 -3.78 1.41 0.00 0.04 0.00 0.00 34.50 32.05 2dk4 s PRO 42 CO 0.41 -0.74 1.84 -0.84 0.04 0.00 0.00 177.00 177.71 2dk4 h ILE 43 N 5.53 0.00 -2.11 0.56 3.07 -1.92 -3.36 117.51 119.28 2dk4 h ILE 43 Ca -0.27 -0.08 -0.26 0.00 1.55 0.00 0.00 64.86 65.80 2dk4 h ILE 43 Cb 1.11 0.75 -0.32 0.00 -0.27 0.00 0.00 36.82 38.08 2dk4 h ILE 43 CO 0.97 0.00 -0.58 -0.60 -1.05 0.00 0.00 178.15 176.90 2dk4 s ARG 44 N -3.64 0.31 0.81 0.16 6.06 -1.26 -4.87 118.95 116.51 2dk4 s ARG 44 Ca -0.01 0.16 -0.14 0.00 -2.50 0.00 0.00 55.73 53.24 2dk4 s ARG 44 Cb 0.08 -0.70 0.19 0.00 0.06 0.00 0.00 34.95 34.58 2dk4 s ARG 44 CO 0.30 -0.83 1.05 1.28 -2.50 0.00 0.00 175.30 174.60 2dk4 n LEU 45 N 5.33 0.00 -4.54 -0.88 4.32 -1.26 -4.83 117.00 115.15 2dk4 n LEU 45 Ca -0.03 -1.14 -0.22 0.00 -0.02 0.00 0.00 56.01 54.59 2dk4 n LEU 45 Cb 0.49 -0.81 -0.11 0.00 -1.62 0.00 0.00 43.42 41.36 2dk4 n LEU 45 CO 0.04 -1.33 1.67 0.49 -1.22 0.00 0.00 177.39 177.04 2dk4 n PHE 46 N -3.57 0.87 -3.28 -1.77 3.01 -1.26 -1.91 117.46 109.56 2dk4 n PHE 46 Ca 0.13 0.05 -0.15 0.00 1.01 0.00 0.00 57.45 58.49 2dk4 n PHE 46 Cb 0.46 -2.09 0.07 0.00 -0.01 0.00 0.00 39.48 37.92 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2dk4 n GLY 47 N 6.32 -1.05 3.95 1.37 0.00 -1.26 -5.02 105.19 109.50 2dk4 n GLY 47 Ca 0.52 0.52 -0.19 0.00 0.00 0.00 0.00 46.02 46.87 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 -4.54 2.78 0.16 1.61 2.02 -0.80 -5.13 118.70 114.81 2dk4 s GLU 48 Ca 0.39 -1.29 0.05 0.00 0.02 0.00 0.00 54.97 54.14 2dk4 s GLU 48 Cb -0.05 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 2dk4 s GLU 48 CO 0.74 -0.16 -0.11 -0.08 0.02 0.00 0.00 175.26 175.67 2dk4 s THR 49 N -2.35 1.34 0.32 3.63 -1.32 -1.26 -4.85 115.64 111.14 2dk4 s THR 49 Ca 0.50 -2.10 0.04 0.00 -1.21 0.00 0.00 61.69 58.92 2dk4 s THR 49 Cb -0.08 -1.90 0.41 0.00 -1.51 0.00 0.00 72.50 69.42 2dk4 s THR 49 CO 0.31 -0.70 1.57 0.44 -2.21 0.00 0.00 174.62 174.03 2dk4 h ASP 50 N 2.73 -0.38 0.35 8.08 3.32 -1.96 1.20 116.42 129.76 2dk4 h ASP 50 Ca -0.37 0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2dk4 h ASP 50 Cb 1.20 0.46 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 2dk4 h ASP 50 CO 0.63 -0.36 -0.19 0.22 -1.72 0.00 0.00 179.24 177.81 2dk4 h TYR 51 N 0.01 -0.49 0.12 4.55 5.03 -1.97 1.44 116.97 125.66 2dk4 h TYR 51 Ca 0.63 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.92 2dk4 h TYR 51 Cb 1.35 0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.80 2dk4 h TYR 51 CO -0.44 -0.30 -0.06 0.22 -1.32 0.00 0.00 178.16 176.26 2dk4 h ASP 52 N -0.51 -0.14 0.08 -2.11 1.82 -0.27 1.09 116.42 116.39 2dk4 h ASP 52 Ca -0.04 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.58 2dk4 h ASP 52 Cb 0.40 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 2dk4 h ASP 52 CO 0.06 -0.09 -0.08 0.00 -1.61 0.00 0.00 179.24 177.52 2dk4 h ALA 53 N 0.71 1.86 0.14 -0.78 0.00 0.13 0.48 119.26 121.79 2dk4 h ALA 53 Ca -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2dk4 h ALA 53 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dk4 h ALA 53 CO 0.03 0.10 -0.07 0.35 0.00 0.00 0.00 179.25 179.66 2dk4 h PHE 54 N 0.00 -0.17 -0.55 0.00 3.57 0.31 -3.00 116.94 117.09 2dk4 h PHE 54 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2dk4 h PHE 54 Cb 0.14 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 2dk4 h PHE 54 CO 0.00 0.20 0.17 1.96 -2.23 0.00 0.00 178.31 178.42 2dk4 h GLN 55 N -0.96 0.33 -0.05 1.11 1.08 0.14 0.66 115.11 117.43 2dk4 h GLN 55 Ca -0.02 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.19 2dk4 h GLN 55 Cb 0.46 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.75 2dk4 h GLN 55 CO 0.03 0.22 -0.47 -0.09 -0.95 0.00 0.00 178.83 177.57 2dk4 h ARG 56 N 0.34 -0.57 0.08 1.46 2.43 -1.01 0.23 114.38 117.33 2dk4 h ARG 56 Ca 0.28 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2dk4 h ARG 56 Cb 0.35 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2dk4 h ARG 56 CO -0.31 -0.38 -0.04 1.25 -1.51 0.00 0.00 179.97 178.99 2dk4 h LEU 57 N -0.59 -0.09 -1.44 3.80 7.12 -1.27 0.28 115.31 123.12 2dk4 h LEU 57 Ca 0.04 -0.07 0.20 0.00 0.13 0.00 0.00 57.88 58.19 2dk4 h LEU 57 Cb 0.68 0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.80 2dk4 h LEU 57 CO -0.36 0.01 0.85 -0.09 -0.13 0.00 0.00 178.44 178.72 2dk4 h ARG 58 N -0.18 0.00 0.06 1.25 1.12 0.88 1.60 114.38 119.11 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 0.15 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.07 2dk4 h ARG 58 CO 0.02 0.00 -1.99 1.17 -3.11 0.00 0.00 179.97 176.06 2dk4 n LYS 59 N -3.38 0.70 -0.12 0.20 4.81 0.02 -3.99 118.16 116.39 2dk4 n LYS 59 Ca 0.15 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.74 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 1.14 -0.98 3.15 2.04 0.41 -1.98 117.51 121.33 2dk4 h ILE 60 Ca -0.41 -0.36 0.19 0.00 1.00 0.00 0.00 64.86 65.28 2dk4 h ILE 60 Cb 2.03 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 38.71 2dk4 h ILE 60 CO 0.06 0.15 0.61 -0.33 0.00 0.00 0.00 178.15 178.64 2dk4 h GLU 61 N 0.49 0.67 0.46 2.37 4.39 -0.57 -0.64 114.58 121.76 2dk4 h GLU 61 Ca 0.13 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 2dk4 h GLU 61 Cb 0.05 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2dk4 h GLU 61 CO -0.02 0.44 -0.22 0.82 -1.16 0.00 0.00 179.01 178.87 2dk4 h ILE 62 N 0.69 0.54 -0.13 3.13 2.04 -1.50 -3.17 117.51 119.12 2dk4 h ILE 62 Ca 0.54 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.41 2dk4 h ILE 62 Cb 0.93 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2dk4 h ILE 62 CO -0.31 0.00 -0.18 -0.07 0.00 0.00 0.00 178.15 177.59 2dk4 h LEU 63 N -0.62 -0.61 -9.59 1.44 -0.00 -0.83 -3.41 115.31 101.69 2dk4 h LEU 63 Ca -0.06 0.08 -0.59 0.00 -0.00 0.00 0.00 57.88 57.31 2dk4 h LEU 63 Cb 0.48 0.25 0.14 0.00 -0.00 0.00 0.00 40.66 41.53 2dk4 h LEU 63 CO 0.10 -0.13 -0.02 0.41 -0.00 0.00 0.00 178.44 178.80 2dk4 n THR 64 N -3.57 2.45 -0.20 0.22 -1.04 -0.83 -4.99 114.28 106.32 2dk4 n THR 64 Ca -0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 2dk4 n THR 64 Cb 0.11 -0.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 0.07 0.61 -2.09 -2.82 -0.04 -1.26 -4.90 135.00 124.56 2dk4 n PRO 65 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2dk4 n PRO 65 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.33 -5.03 -2.72 0.54 1.02 -1.26 -4.85 120.64 108.02 2dk4 n GLU 66 Ca 0.00 3.64 -0.04 0.00 -0.02 0.00 0.00 57.16 60.74 2dk4 n GLU 66 Cb 0.00 -4.17 -0.03 0.00 -0.02 0.00 0.00 31.44 27.21 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 1.74 -9.06 -3.62 2.62 0.31 -1.26 -4.98 118.33 104.07 2dk4 n VAL 67 Ca 0.00 1.92 -0.28 0.00 -0.01 0.00 0.00 64.34 65.97 2dk4 n VAL 67 Cb 0.00 -5.18 -0.12 0.00 -0.91 0.00 0.00 33.84 27.63 2dk4 n VAL 67 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2dk4 s ASN 68 N -0.44 3.07 -0.20 4.52 -0.87 -1.26 -4.95 114.94 114.81 2dk4 s ASN 68 Ca -0.18 -3.07 -0.11 0.00 -1.57 0.00 0.00 52.86 47.93 2dk4 s ASN 68 Cb 0.01 -0.91 -0.05 0.00 -0.02 0.00 0.00 41.25 40.28 2dk4 s ASN 68 CO 0.49 -0.19 0.18 -0.75 -2.57 0.00 0.00 177.10 174.26 2dk4 s LYS 69 N -0.16 4.19 0.00 -0.60 2.20 -1.26 -4.99 119.74 119.12 2dk4 s LYS 69 Ca 0.25 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2dk4 s LYS 69 Cb -0.09 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 2dk4 s LYS 69 CO -0.11 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.53 2dk4 n GLY 70 N 3.61 -1.73 3.64 5.54 0.00 -1.26 -5.06 105.19 109.94 2dk4 n GLY 70 Ca -0.15 0.98 -0.02 0.00 0.00 0.00 0.00 46.02 46.83 2dk4 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk4 s SER 71 N 0.00 -0.03 0.00 1.61 0.01 -1.26 -4.95 113.70 109.08 2dk4 s SER 71 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2dk4 s SER 71 Cb 0.00 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2dk4 s SER 71 CO 0.00 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2dk4 n GLY 72 N 0.66 1.81 3.81 3.44 0.00 -1.26 -5.17 105.19 108.49 2dk4 n GLY 72 Ca -0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.00 2.34 -0.22 1.61 0.04 -1.26 -5.01 135.00 130.50 2dk4 s PRO 73 Ca 0.00 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.79 2dk4 s PRO 73 Cb 0.00 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2dk4 s PRO 73 CO 0.00 -1.46 -0.11 0.45 0.04 0.00 0.00 177.00 175.92 2dk4 s SER 74 N -3.87 3.70 -0.61 6.66 0.15 -1.26 -5.07 113.70 113.40 2dk4 s SER 74 Ca 0.60 -1.04 -0.12 0.00 0.70 0.00 0.00 55.95 56.09 2dk4 s SER 74 Cb -0.14 -1.33 0.15 0.00 -1.71 0.00 0.00 66.02 62.99 2dk4 s SER 74 CO 0.54 -0.15 0.52 -0.55 1.20 0.00 0.00 173.24 174.80 2dk4 s SER 75 N 1.31 6.09 0.00 5.45 0.15 -1.26 -5.29 113.70 120.14 2dk4 s SER 75 Ca -0.03 -2.20 0.03 0.00 0.70 0.00 0.00 55.95 54.45 2dk4 s SER 75 Cb -0.17 -2.11 0.20 0.00 -1.71 0.00 0.00 66.02 62.23 2dk4 s SER 75 CO -0.08 -0.67 0.68 0.61 1.20 0.00 0.00 173.24 174.98