#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 -0.15 0.00 1.61 1.04 -1.26 -5.19 113.70 109.75 2dk4 s SER 2 Ca 0.00 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2dk4 s SER 2 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2dk4 s SER 2 CO 0.00 -0.36 0.00 -1.54 0.98 0.00 0.00 173.24 172.32 2dk4 n SER 3 N -0.25 0.00 0.00 7.02 3.41 -1.26 -5.19 113.62 117.35 2dk4 n SER 3 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2dk4 n SER 3 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 2dk4 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk4 n GLY 4 N -0.03 5.17 0.00 5.00 0.00 -1.26 -5.18 105.19 108.89 2dk4 n GLY 4 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2dk4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dk4 n SER 5 N 0.00 0.00 -3.71 1.61 3.41 -1.26 -5.19 113.62 108.49 2dk4 n SER 5 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2dk4 n SER 5 Cb 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 2dk4 n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dk4 s SER 6 N 0.00 -0.14 0.00 4.04 1.04 -1.26 -5.18 113.70 112.19 2dk4 s SER 6 Ca 0.00 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dk4 s SER 6 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2dk4 s SER 6 CO 0.00 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2dk4 n GLY 7 N -0.47 3.11 3.23 7.32 0.00 -1.26 -5.16 105.19 111.97 2dk4 n GLY 7 Ca -0.07 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dk4 s THR 8 N -1.58 -0.43 0.00 2.61 -1.32 -1.26 -5.17 115.64 108.49 2dk4 s THR 8 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2dk4 s THR 8 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2dk4 s THR 8 CO 0.00 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.21 2dk4 n SER 9 N 5.25 0.00 -3.20 8.08 7.64 -1.26 -5.16 113.62 124.98 2dk4 n SER 9 Ca -0.07 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.85 2dk4 n SER 9 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.71 2dk4 n SER 9 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk4 s SER 10 N 0.00 -0.37 -0.43 6.43 0.15 -1.26 -5.11 113.70 113.11 2dk4 s SER 10 Ca 0.00 0.31 0.04 0.00 0.70 0.00 0.00 55.95 57.00 2dk4 s SER 10 Cb 0.00 1.34 0.19 0.00 -1.71 0.00 0.00 66.02 65.84 2dk4 s SER 10 CO 0.00 -0.07 0.76 0.21 1.20 0.00 0.00 173.24 175.34 2dk4 s ASN 11 N 2.72 -1.23 -1.17 5.45 2.47 -1.26 -5.05 114.94 116.87 2dk4 s ASN 11 Ca -0.02 -0.97 -0.12 0.00 0.42 0.00 0.00 52.86 52.17 2dk4 s ASN 11 Cb -0.08 1.59 -0.07 0.00 -1.45 0.00 0.00 41.25 41.24 2dk4 s ASN 11 CO -0.12 -0.10 2.32 -0.81 -3.72 0.00 0.00 177.10 174.67 2dk4 n PRO 12 N 3.67 2.53 -3.64 0.43 -0.04 -1.26 -4.70 135.00 131.99 2dk4 n PRO 12 Ca 0.13 -1.94 -0.04 0.00 -0.04 0.00 0.00 63.50 61.61 2dk4 n PRO 12 Cb 0.58 -2.79 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 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 3.37 0.00 0.00 0.52 0.11 -1.26 -5.18 120.40 117.96 2dk4 s VAL 13 Ca 0.52 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.57 2dk4 s VAL 13 Cb 0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2dk4 s VAL 13 CO -0.02 0.00 0.00 0.18 -3.33 0.00 0.00 175.10 171.93 2dk4 n LEU 14 N 2.27 0.00 0.00 2.54 4.32 -1.26 -5.14 117.00 119.73 2dk4 n LEU 14 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2dk4 n LEU 14 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2dk4 n LEU 14 CO 0.02 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.40 2dk4 n GLU 15 N 0.00 0.00 -3.60 3.23 2.13 -1.26 -5.13 120.64 116.01 2dk4 n GLU 15 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2dk4 n GLU 15 Cb 0.00 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 31.56 2dk4 n GLU 15 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2dk4 s LEU 16 N 0.00 0.96 -0.21 4.31 0.05 -1.26 -5.11 118.68 117.42 2dk4 s LEU 16 Ca 0.00 -1.30 -0.34 0.00 0.05 0.00 0.00 54.13 52.54 2dk4 s LEU 16 Cb 0.00 -0.47 0.15 0.00 -2.05 0.00 0.00 46.19 43.81 2dk4 s LEU 16 CO 0.00 -0.42 1.22 -1.83 -0.55 0.00 0.00 176.35 174.77 2dk4 s GLU 17 N 1.98 0.28 0.23 1.48 -1.05 -1.26 -5.16 118.70 115.20 2dk4 s GLU 17 Ca 0.08 -0.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.61 2dk4 s GLU 17 Cb -0.16 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.57 2dk4 s GLU 17 CO -0.31 -0.11 0.78 -0.51 0.95 0.00 0.00 175.26 176.06 2dk4 s LEU 18 N -1.90 4.39 -0.30 1.83 1.43 -1.26 -5.03 118.68 117.84 2dk4 s LEU 18 Ca 0.09 1.55 -0.14 0.00 -1.03 0.00 0.00 54.13 54.60 2dk4 s LEU 18 Cb -0.01 -3.61 0.18 0.00 0.03 0.00 0.00 46.19 42.77 2dk4 s LEU 18 CO -0.05 0.05 1.10 0.00 0.23 0.00 0.00 176.35 177.68 2dk4 s ALA 19 N -1.47 -3.88 -0.09 4.21 0.00 -1.26 -5.03 121.76 114.23 2dk4 s ALA 19 Ca 0.43 1.37 0.16 0.00 0.00 0.00 0.00 51.96 53.92 2dk4 s ALA 19 Cb -0.18 -2.70 0.36 0.00 0.00 0.00 0.00 23.12 20.59 2dk4 s ALA 19 CO 0.23 -1.79 1.17 -1.91 0.00 0.00 0.00 175.76 173.45 2dk4 n GLU 20 N 5.29 0.74 -0.60 0.00 4.07 -1.26 -4.84 120.64 124.04 2dk4 n GLU 20 Ca 0.01 -2.43 0.47 0.00 -0.06 0.00 0.00 57.16 55.14 2dk4 n GLU 20 Cb 0.56 -0.84 0.74 0.00 -0.06 0.00 0.00 31.44 31.85 2dk4 n GLU 20 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2dk4 n GLU 21 N -0.39 -0.01 -0.07 5.31 1.02 -1.26 -4.81 120.64 120.43 2dk4 n GLU 21 Ca 0.11 1.13 0.01 0.00 -0.02 0.00 0.00 57.16 58.39 2dk4 n GLU 21 Cb 0.86 -2.43 -0.00 0.00 -0.02 0.00 0.00 31.44 29.85 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 -4.21 -0.14 -3.80 3.49 2.85 -1.26 -4.93 118.16 110.16 2dk4 n LYS 22 Ca 0.42 0.09 -0.09 0.00 -1.05 0.00 0.00 58.31 57.68 2dk4 n LYS 22 Cb 1.79 -0.17 -0.06 0.00 -0.65 0.00 0.00 35.03 35.93 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 0.00 1.11 0.92 -5.58 1.43 -1.26 -5.12 118.68 110.18 2dk4 s LEU 23 Ca 0.00 -0.57 -0.13 0.00 -1.03 0.00 0.00 54.13 52.41 2dk4 s LEU 23 Cb 0.00 1.27 0.14 0.00 0.03 0.00 0.00 46.19 47.63 2dk4 s LEU 23 CO 0.00 -0.77 1.14 -2.16 0.23 0.00 0.00 176.35 174.79 2dk4 s PRO 24 N -3.85 1.09 0.16 1.29 0.04 -1.26 -4.92 135.00 127.54 2dk4 s PRO 24 Ca 0.05 0.26 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 2dk4 s PRO 24 Cb 0.04 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 2dk4 s PRO 24 CO -0.11 -2.23 0.57 -0.12 0.04 0.00 0.00 177.00 175.15 2dk4 n MET 25 N -3.78 0.00 0.00 4.56 1.56 -1.26 -4.88 117.12 113.32 2dk4 n MET 25 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 2dk4 n MET 25 Cb 0.59 -1.01 0.00 0.00 2.15 0.00 0.00 33.22 34.96 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 0.23 0.00 -3.59 1.12 -2.24 -1.26 -5.08 114.28 103.46 2dk4 n THR 26 Ca 0.17 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.60 2dk4 n THR 26 Cb 0.21 -0.80 -0.05 0.00 -2.10 0.00 0.00 70.33 67.58 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 -5.15 4.35 0.51 3.22 1.43 -1.26 -5.09 118.68 116.69 2dk4 s LEU 27 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2dk4 s LEU 27 Cb 0.00 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.29 2dk4 s LEU 27 CO 0.00 0.18 0.74 -0.44 0.23 0.00 0.00 176.35 177.06 2dk4 s SER 28 N -1.73 5.53 0.04 2.29 0.01 -1.26 -4.82 113.70 113.75 2dk4 s SER 28 Ca 0.32 0.17 -0.07 0.00 1.31 0.00 0.00 55.95 57.68 2dk4 s SER 28 Cb -0.14 -1.22 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 2dk4 s SER 28 CO 0.18 -0.95 0.98 -2.11 0.41 0.00 0.00 173.24 171.75 2dk4 n ARG 29 N -2.25 -0.10 -0.11 12.44 1.85 -1.26 0.42 116.66 127.65 2dk4 n ARG 29 Ca 0.05 0.97 -0.08 0.00 -1.00 0.00 0.00 57.85 57.79 2dk4 n ARG 29 Cb 0.59 -1.45 -0.02 0.00 -1.05 0.00 0.00 32.46 30.53 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 -0.25 -0.45 2.89 4.15 -1.97 1.58 115.11 121.07 2dk4 h GLN 30 Ca 0.04 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.61 2dk4 h GLN 30 Cb 0.10 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 2dk4 h GLN 30 CO -0.22 -0.16 0.53 1.49 -1.93 0.00 0.00 178.83 178.53 2dk4 h GLU 31 N -0.26 0.00 0.05 1.69 4.57 -0.99 1.05 114.58 120.69 2dk4 h GLU 31 Ca 0.17 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.00 2dk4 h GLU 31 Cb 0.53 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 2dk4 h GLU 31 CO -0.52 0.00 -2.01 0.28 -1.18 0.00 0.00 179.01 175.59 2dk4 n VAL 32 N -3.58 1.64 -0.14 0.32 0.31 0.26 -3.99 118.33 113.15 2dk4 n VAL 32 Ca 0.08 -0.72 -0.08 0.00 -0.01 0.00 0.00 64.34 63.62 2dk4 n VAL 32 Cb 0.71 -1.32 0.08 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.03 1.26 0.00 2.52 2.04 0.65 -2.32 117.51 121.70 2dk4 h ILE 33 Ca -0.41 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.24 2dk4 h ILE 33 Cb 2.03 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2dk4 h ILE 33 CO 0.06 0.42 0.00 -1.14 0.00 0.00 0.00 178.15 177.49 2dk4 n ARG 34 N -4.15 0.00 -0.06 2.37 0.63 0.31 0.10 116.66 115.85 2dk4 n ARG 34 Ca 0.02 0.58 -0.09 0.00 -0.92 0.00 0.00 57.85 57.44 2dk4 n ARG 34 Cb 0.38 -1.40 -0.06 0.00 0.45 0.00 0.00 32.46 31.83 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 -0.28 -0.42 -0.14 3.08 -1.69 0.19 114.38 115.13 2dk4 h ARG 35 Ca 0.00 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2dk4 h ARG 35 Cb 0.00 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 2dk4 h ARG 35 CO 0.00 -0.18 -0.25 1.28 -1.07 0.00 0.00 179.97 179.75 2dk4 n LEU 36 N -4.37 -0.44 -0.25 3.04 4.77 -0.87 0.12 117.00 119.00 2dk4 n LEU 36 Ca -0.03 1.29 -0.04 0.00 -0.03 0.00 0.00 56.01 57.21 2dk4 n LEU 36 Cb 0.22 -0.37 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2dk4 n LEU 36 CO 0.02 -0.88 0.63 0.03 -1.33 0.00 0.00 177.39 175.86 2dk4 h ARG 37 N 0.00 -0.11 -0.32 3.23 3.08 0.22 1.36 114.38 121.85 2dk4 h ARG 37 Ca 0.07 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.19 2dk4 h ARG 37 Cb 0.17 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2dk4 h ARG 37 CO -0.39 -0.07 0.22 0.93 -1.07 0.00 0.00 179.97 179.59 2dk4 h GLU 38 N -0.11 0.12 -0.01 0.04 5.08 0.27 0.56 114.58 120.52 2dk4 h GLU 38 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2dk4 h GLU 38 Cb 0.56 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2dk4 h GLU 38 CO -0.75 0.08 -0.07 0.54 -1.00 0.00 0.00 179.01 177.81 2dk4 n ARG 39 N -4.47 1.33 -1.03 2.33 5.12 0.41 -4.89 116.66 115.45 2dk4 n ARG 39 Ca 0.04 -0.71 -0.01 0.00 -1.93 0.00 0.00 57.85 55.24 2dk4 n ARG 39 Cb 0.31 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.20 0.47 3.84 -0.13 0.00 0.22 -5.01 105.19 105.78 2dk4 n GLY 40 Ca 0.18 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.94 3.61 -0.22 1.61 0.41 0.67 -4.93 118.70 118.92 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 30.26 2dk4 s GLU 41 CO 0.00 -0.56 1.30 -1.25 -0.49 0.00 0.00 175.26 174.27 2dk4 s PRO 42 N -4.52 4.08 0.60 0.39 0.04 -1.26 -3.91 135.00 130.43 2dk4 s PRO 42 Ca 0.58 1.51 0.29 0.00 0.04 0.00 0.00 61.00 63.42 2dk4 s PRO 42 Cb -0.12 -3.83 1.54 0.00 0.04 0.00 0.00 34.50 32.13 2dk4 s PRO 42 CO 0.42 -0.90 1.94 -0.84 0.04 0.00 0.00 177.00 177.66 2dk4 h ILE 43 N 5.71 0.32 -3.34 0.56 3.07 -1.94 -3.38 117.51 118.52 2dk4 h ILE 43 Ca -0.27 0.00 -0.26 0.00 1.55 0.00 0.00 64.86 65.88 2dk4 h ILE 43 Cb 1.10 0.67 -0.33 0.00 -0.27 0.00 0.00 36.82 38.00 2dk4 h ILE 43 CO 1.00 0.00 -0.65 -0.60 -1.05 0.00 0.00 178.15 176.85 2dk4 s ARG 44 N -4.53 0.04 0.00 0.16 6.06 -1.26 -4.94 118.95 114.49 2dk4 s ARG 44 Ca -0.04 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 53.50 2dk4 s ARG 44 Cb 0.14 -0.21 0.00 0.00 0.06 0.00 0.00 34.95 34.94 2dk4 s ARG 44 CO 0.50 -0.17 0.00 1.28 -2.50 0.00 0.00 175.30 174.41 2dk4 n LEU 45 N 4.24 0.00 -4.57 -0.88 4.77 -1.26 -4.94 117.00 114.36 2dk4 n LEU 45 Ca -0.26 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.41 2dk4 n LEU 45 Cb 0.51 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2dk4 n LEU 45 CO 0.19 -0.42 1.45 -0.36 -1.33 0.00 0.00 177.39 176.91 2dk4 s PHE 46 N 0.30 2.05 -0.65 -1.77 0.40 -1.26 -3.59 117.98 113.45 2dk4 s PHE 46 Ca 0.00 0.15 -0.02 0.00 -0.60 0.00 0.00 56.93 56.45 2dk4 s PHE 46 Cb 0.00 -4.22 -0.03 0.00 0.51 0.00 0.00 43.02 39.29 2dk4 s PHE 46 CO 0.00 -1.68 0.56 0.41 0.70 0.00 0.00 175.22 175.21 2dk4 n GLY 47 N 6.55 -0.21 3.53 4.36 0.00 -1.26 -5.03 105.19 113.13 2dk4 n GLY 47 Ca 0.40 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.18 3.41 0.49 1.61 2.02 -1.24 -5.10 118.70 115.72 2dk4 s GLU 48 Ca 0.17 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 2dk4 s GLU 48 Cb -0.02 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2dk4 s GLU 48 CO 0.44 0.38 0.83 -0.08 0.02 0.00 0.00 175.26 176.84 2dk4 s THR 49 N -0.01 4.84 0.34 3.63 -1.32 -1.26 -4.70 115.64 117.15 2dk4 s THR 49 Ca 0.01 0.43 0.11 0.00 -1.21 0.00 0.00 61.69 61.03 2dk4 s THR 49 Cb -0.13 -3.83 0.38 0.00 -1.51 0.00 0.00 72.50 67.41 2dk4 s THR 49 CO 0.03 -0.82 1.56 0.47 -2.21 0.00 0.00 174.62 173.65 2dk4 n ASP 50 N -2.10 0.11 0.30 8.08 8.00 -1.26 0.12 116.55 129.80 2dk4 n ASP 50 Ca 0.02 1.67 -0.12 0.00 0.71 0.00 0.00 54.79 57.07 2dk4 n ASP 50 Cb 0.55 -0.71 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 2dk4 n ASP 50 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2dk4 h TYR 51 N 0.00 -0.71 -0.77 1.24 5.03 -1.98 0.48 116.97 120.26 2dk4 h TYR 51 Ca 0.72 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 62.16 2dk4 h TYR 51 Cb 1.73 0.23 -0.10 0.00 1.55 0.00 0.00 36.73 40.15 2dk4 h TYR 51 CO -0.26 -0.44 0.32 -0.44 -1.32 0.00 0.00 178.16 176.01 2dk4 h ASP 52 N -0.81 0.30 -0.31 -2.11 3.32 -1.14 0.29 116.42 115.97 2dk4 h ASP 52 Ca -0.08 0.11 0.01 0.00 0.02 0.00 0.00 57.03 57.09 2dk4 h ASP 52 Cb 0.58 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2dk4 h ASP 52 CO 0.13 0.11 0.18 0.00 -1.72 0.00 0.00 179.24 177.94 2dk4 h ALA 53 N 1.55 0.39 -0.75 3.45 0.00 0.10 -1.15 119.26 122.85 2dk4 h ALA 53 Ca 0.42 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.35 2dk4 h ALA 53 Cb 0.65 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2dk4 h ALA 53 CO -0.40 -0.18 0.49 0.35 0.00 0.00 0.00 179.25 179.50 2dk4 h PHE 54 N 0.37 0.91 0.43 0.00 3.57 0.25 -2.84 116.94 119.64 2dk4 h PHE 54 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 2dk4 h PHE 54 Cb -0.01 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2dk4 h PHE 54 CO -0.07 0.54 -0.33 1.96 -2.23 0.00 0.00 178.31 178.18 2dk4 h GLN 55 N 0.96 -0.72 -0.78 1.11 4.20 0.02 0.24 115.11 120.14 2dk4 h GLN 55 Ca 0.29 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.12 2dk4 h GLN 55 Cb -0.03 0.16 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 2dk4 h GLN 55 CO -0.09 -0.48 -0.46 -2.13 -0.67 0.00 0.00 178.83 175.00 2dk4 n ARG 56 N -5.45 -0.34 0.12 1.46 0.63 -0.49 0.09 116.66 112.68 2dk4 n ARG 56 Ca -0.11 1.33 -0.13 0.00 -0.92 0.00 0.00 57.85 58.03 2dk4 n ARG 56 Cb 0.35 -1.97 -0.07 0.00 0.45 0.00 0.00 32.46 31.23 2dk4 n ARG 56 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2dk4 h LEU 57 N 0.00 -0.33 -1.43 6.15 7.12 -1.39 0.16 115.31 125.59 2dk4 h LEU 57 Ca 0.12 0.03 0.21 0.00 0.13 0.00 0.00 57.88 58.37 2dk4 h LEU 57 Cb 0.32 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2dk4 h LEU 57 CO -0.73 -0.20 0.87 -0.09 -0.13 0.00 0.00 178.44 178.17 2dk4 h ARG 58 N -0.29 0.00 0.06 1.25 1.12 0.25 1.62 114.38 118.38 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 0.27 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.19 2dk4 h ARG 58 CO -0.02 0.00 -2.00 1.17 -3.11 0.00 0.00 179.97 176.01 2dk4 n LYS 59 N -3.39 0.70 -0.13 0.20 4.81 0.11 -3.97 118.16 116.50 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 1.11 -1.70 -0.00 0.00 0.02 0.00 0.00 35.03 34.46 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 -1.00 3.15 2.04 0.48 -2.07 117.51 121.30 2dk4 h ILE 60 Ca -0.41 -0.38 0.17 0.00 1.00 0.00 0.00 64.86 65.24 2dk4 h ILE 60 Cb 2.03 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 38.70 2dk4 h ILE 60 CO 0.06 0.15 0.61 -0.33 0.00 0.00 0.00 178.15 178.65 2dk4 h GLU 61 N 0.50 0.79 0.95 2.37 4.39 -0.50 -1.63 114.58 121.46 2dk4 h GLU 61 Ca 0.14 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2dk4 h GLU 61 Cb 0.05 -0.18 0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2dk4 h GLU 61 CO -0.02 0.52 -0.46 0.82 -1.16 0.00 0.00 179.01 178.71 2dk4 h ILE 62 N 0.82 0.04 -0.30 3.13 2.04 -1.52 -3.20 117.51 118.52 2dk4 h ILE 62 Ca 0.56 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 66.42 2dk4 h ILE 62 Cb 0.80 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 2dk4 h ILE 62 CO -0.36 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.53 2dk4 h LEU 63 N -1.31 -0.71 -8.25 1.44 3.38 -0.88 -3.41 115.31 105.58 2dk4 h LEU 63 Ca -0.13 0.11 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 2dk4 h LEU 63 Cb 0.98 0.31 0.14 0.00 0.09 0.00 0.00 40.66 42.19 2dk4 h LEU 63 CO 0.21 -0.09 -0.86 0.41 0.09 0.00 0.00 178.44 178.21 2dk4 n THR 64 N -3.73 0.63 -0.04 0.22 -1.04 -0.76 -4.89 114.28 104.66 2dk4 n THR 64 Ca 0.00 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.05 61.42 2dk4 n THR 64 Cb 0.09 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.31 -0.01 -5.70 -2.82 0.13 -1.85 -3.45 132.00 118.62 2dk4 h PRO 65 Ca -0.33 0.00 -0.83 0.00 -0.87 0.00 0.00 66.00 63.97 2dk4 h PRO 65 Cb 1.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.46 2dk4 h PRO 65 CO 0.43 0.72 0.70 -1.91 -0.23 0.00 0.00 178.00 177.71 2dk4 n GLU 66 N -4.74 0.00 -2.21 0.86 2.13 -1.26 -4.71 120.64 110.70 2dk4 n GLU 66 Ca -0.09 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.41 2dk4 n GLU 66 Cb 0.36 -1.42 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2dk4 s VAL 67 N 3.07 3.68 0.53 6.31 -7.23 -1.26 -4.93 120.40 120.56 2dk4 s VAL 67 Ca 1.01 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 59.97 2dk4 s VAL 67 Cb -1.42 -4.62 -0.05 0.00 0.56 0.00 0.00 36.38 30.84 2dk4 s VAL 67 CO 0.77 -1.28 1.31 0.54 -0.31 0.00 0.00 175.10 176.13 2dk4 s ASN 68 N 6.22 5.44 0.88 4.85 2.20 -1.26 -5.01 114.94 128.27 2dk4 s ASN 68 Ca 0.64 2.66 -0.12 0.00 -0.94 0.00 0.00 52.86 55.10 2dk4 s ASN 68 Cb -0.01 -2.63 0.16 0.00 -2.00 0.00 0.00 41.25 36.78 2dk4 s ASN 68 CO 0.07 -1.44 1.23 -0.54 -2.94 0.00 0.00 177.10 173.48 2dk4 s LYS 69 N -2.88 1.09 0.00 3.55 -0.14 -1.26 -4.95 119.74 115.14 2dk4 s LYS 69 Ca 0.70 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.86 2dk4 s LYS 69 Cb -0.38 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2dk4 s LYS 69 CO 0.45 -2.07 0.00 0.41 -0.76 0.00 0.00 175.35 173.38 2dk4 n GLY 70 N -3.50 -0.24 3.27 -3.33 0.00 -1.26 -5.15 105.19 94.99 2dk4 n GLY 70 Ca 0.14 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -0.12 -0.39 1.61 0.15 -1.26 -5.13 113.70 108.56 2dk4 s SER 71 Ca 0.00 -0.33 0.02 0.00 0.70 0.00 0.00 55.95 56.35 2dk4 s SER 71 Cb 0.00 0.40 0.11 0.00 -1.71 0.00 0.00 66.02 64.83 2dk4 s SER 71 CO 0.00 -0.74 0.14 -0.83 1.20 0.00 0.00 173.24 173.02 2dk4 s GLY 72 N -2.52 1.74 -1.11 9.45 0.00 -1.26 -5.03 107.32 108.60 2dk4 s GLY 72 Ca 0.00 -2.46 -0.18 0.00 0.00 0.00 0.00 44.72 42.08 2dk4 s GLY 72 CO -0.08 1.27 2.04 -1.55 0.00 0.00 0.00 173.10 174.78 2dk4 n PRO 73 N 4.04 2.16 -4.52 2.90 -0.04 -1.26 -4.87 135.00 133.42 2dk4 n PRO 73 Ca 0.04 -2.27 -0.26 0.00 -0.04 0.00 0.00 63.50 60.97 2dk4 n PRO 73 Cb 0.38 -3.14 -0.13 0.00 -0.04 0.00 0.00 33.50 30.57 2dk4 n PRO 73 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dk4 s SER 74 N 4.28 2.61 -0.18 3.54 1.04 -1.26 -5.06 113.70 118.67 2dk4 s SER 74 Ca 0.53 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 56.22 2dk4 s SER 74 Cb 0.13 -0.19 -0.07 0.00 0.10 0.00 0.00 66.02 65.99 2dk4 s SER 74 CO 0.03 0.13 -0.23 -0.24 0.98 0.00 0.00 173.24 173.92 2dk4 n SER 75 N 1.51 1.88 0.00 7.02 2.88 -1.26 -5.12 113.62 120.52 2dk4 n SER 75 Ca -0.18 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2dk4 n SER 75 Cb 0.53 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dk4 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42