#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 -0.00 -0.09 1.61 1.04 -1.26 -5.19 113.70 109.81 2dk4 s SER 2 Ca 0.00 -0.00 -0.33 0.00 0.48 0.00 0.00 55.95 56.10 2dk4 s SER 2 Cb 0.00 0.00 0.14 0.00 0.10 0.00 0.00 66.02 66.26 2dk4 s SER 2 CO 0.00 -0.01 1.34 -0.44 0.98 0.00 0.00 173.24 175.11 2dk4 s SER 3 N -3.02 -0.04 0.23 7.02 0.01 -1.26 -5.19 113.70 111.44 2dk4 s SER 3 Ca 0.15 -0.06 -0.21 0.00 1.31 0.00 0.00 55.95 57.14 2dk4 s SER 3 Cb 0.08 0.09 0.07 0.00 0.21 0.00 0.00 66.02 66.47 2dk4 s SER 3 CO -0.07 -0.17 0.97 -0.83 0.41 0.00 0.00 173.24 173.55 2dk4 s GLY 4 N -2.79 0.11 0.06 3.44 0.00 -1.26 -5.19 107.32 101.69 2dk4 s GLY 4 Ca 0.14 -0.35 -0.28 0.00 0.00 0.00 0.00 44.72 44.23 2dk4 s GLY 4 CO -0.05 1.40 1.09 -1.35 0.00 0.00 0.00 173.10 174.20 2dk4 s SER 5 N -3.25 -0.14 -0.13 1.64 1.04 -1.26 -5.19 113.70 106.41 2dk4 s SER 5 Ca 0.19 -0.26 -0.34 0.00 0.48 0.00 0.00 55.95 56.02 2dk4 s SER 5 Cb -0.03 0.34 0.14 0.00 0.10 0.00 0.00 66.02 66.57 2dk4 s SER 5 CO 0.06 -0.62 1.35 -0.55 0.98 0.00 0.00 173.24 174.46 2dk4 s SER 6 N -2.89 -0.04 0.00 7.02 0.15 -1.26 -5.18 113.70 111.50 2dk4 s SER 6 Ca 0.12 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2dk4 s SER 6 Cb 0.01 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2dk4 s SER 6 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dk4 n GLY 7 N -0.33 1.76 3.47 9.45 0.00 -1.26 -5.18 105.19 113.11 2dk4 n GLY 7 Ca -0.05 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2dk4 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk4 s THR 8 N -0.96 -0.00 -0.29 2.61 2.01 -1.26 -5.16 115.64 112.59 2dk4 s THR 8 Ca 0.00 0.01 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 2dk4 s THR 8 Cb 0.00 -0.81 0.18 0.00 0.01 0.00 0.00 72.50 71.88 2dk4 s THR 8 CO 0.00 0.01 1.16 -0.55 -0.69 0.00 0.00 174.62 174.55 2dk4 s SER 9 N 0.68 -0.24 0.00 3.53 0.15 -1.26 -5.17 113.70 111.40 2dk4 s SER 9 Ca -0.03 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2dk4 s SER 9 Cb -0.05 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.27 2dk4 s SER 9 CO -0.05 -0.06 0.00 -1.54 1.20 0.00 0.00 173.24 172.79 2dk4 n SER 10 N 3.14 0.00 -3.15 5.45 3.41 -1.26 -5.14 113.62 116.06 2dk4 n SER 10 Ca -0.17 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.49 2dk4 n SER 10 Cb 0.57 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2dk4 n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dk4 s ASN 11 N 0.00 -0.57 0.00 4.04 4.22 -1.26 -5.11 114.94 116.25 2dk4 s ASN 11 Ca 0.00 0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.79 2dk4 s ASN 11 Cb 0.00 1.36 0.00 0.00 1.28 0.00 0.00 41.25 43.89 2dk4 s ASN 11 CO 0.00 -0.10 0.02 -0.81 -2.04 0.00 0.00 177.10 174.17 2dk4 n PRO 12 N 5.15 0.00 -3.19 3.55 -0.04 -1.26 -4.98 135.00 134.22 2dk4 n PRO 12 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2dk4 n PRO 12 Cb 0.57 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.10 -2.43 -3.15 0.52 0.31 -1.26 -4.99 118.33 107.23 2dk4 n VAL 13 Ca 0.00 0.52 0.05 0.00 -0.01 0.00 0.00 64.34 64.89 2dk4 n VAL 13 Cb 0.00 -3.16 -0.00 0.00 -0.91 0.00 0.00 33.84 29.77 2dk4 n VAL 13 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2dk4 s LEU 14 N -1.11 -1.15 -0.32 7.52 0.05 -1.26 -5.10 118.68 117.31 2dk4 s LEU 14 Ca 0.02 0.16 -0.10 0.00 0.05 0.00 0.00 54.13 54.26 2dk4 s LEU 14 Cb -0.00 1.74 0.19 0.00 -2.05 0.00 0.00 46.19 46.07 2dk4 s LEU 14 CO 0.08 -0.21 1.06 -0.70 -0.55 0.00 0.00 176.35 176.02 2dk4 s GLU 15 N 2.88 0.16 -0.27 1.48 -6.30 -1.26 -5.12 118.70 110.26 2dk4 s GLU 15 Ca 0.17 -0.05 -0.04 0.00 -2.50 0.00 0.00 54.97 52.55 2dk4 s GLU 15 Cb -0.07 0.02 0.09 0.00 0.00 0.00 0.00 34.13 34.17 2dk4 s GLU 15 CO -0.24 -0.23 0.12 -0.48 0.02 0.00 0.00 175.26 174.44 2dk4 s LEU 16 N 2.00 0.77 -0.25 2.70 2.34 -1.26 -5.08 118.68 119.89 2dk4 s LEU 16 Ca 0.15 -1.24 -0.02 0.00 0.06 0.00 0.00 54.13 53.08 2dk4 s LEU 16 Cb 0.03 -0.42 0.12 0.00 -0.56 0.00 0.00 46.19 45.37 2dk4 s LEU 16 CO -0.15 -0.42 0.28 -1.61 -1.06 0.00 0.00 176.35 173.38 2dk4 s GLU 17 N 2.03 0.28 -0.20 1.48 8.01 -1.26 -5.13 118.70 123.91 2dk4 s GLU 17 Ca 0.08 0.05 -0.35 0.00 0.01 0.00 0.00 54.97 54.76 2dk4 s GLU 17 Cb -0.16 -0.84 0.14 0.00 -4.31 0.00 0.00 34.13 28.96 2dk4 s GLU 17 CO -0.31 -0.86 1.22 -0.51 0.01 0.00 0.00 175.26 174.81 2dk4 s LEU 18 N 2.36 -0.14 -0.41 1.80 1.43 -1.26 -5.09 118.68 117.38 2dk4 s LEU 18 Ca 0.09 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2dk4 s LEU 18 Cb -0.15 1.37 0.32 0.00 0.03 0.00 0.00 46.19 47.77 2dk4 s LEU 18 CO -0.24 -0.22 1.22 0.00 0.23 0.00 0.00 176.35 177.35 2dk4 n ALA 19 N -0.01 -0.64 -2.68 4.21 0.00 -1.26 -4.99 120.51 115.15 2dk4 n ALA 19 Ca 0.00 -1.20 -0.05 0.00 0.00 0.00 0.00 53.44 52.19 2dk4 n ALA 19 Cb 0.58 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 0.04 0.57 -1.18 0.00 2.13 -1.26 -5.00 120.64 115.94 2dk4 n GLU 20 Ca -0.01 -1.17 -0.28 0.00 0.66 0.00 0.00 57.16 56.36 2dk4 n GLU 20 Cb 0.75 -0.15 0.07 0.00 0.27 0.00 0.00 31.44 32.37 2dk4 n GLU 20 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2dk4 n GLU 21 N -0.29 2.38 -1.69 5.31 0.28 -1.26 -4.99 120.64 120.38 2dk4 n GLU 21 Ca -0.13 -2.69 -0.42 0.00 -0.16 0.00 0.00 57.16 53.75 2dk4 n GLU 21 Cb 0.73 -2.06 -0.00 0.00 1.43 0.00 0.00 31.44 31.54 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2dk4 n LYS 22 N -0.49 2.01 -4.15 3.44 0.00 -1.26 -5.00 118.16 112.70 2dk4 n LYS 22 Ca 0.52 0.71 -0.10 0.00 -0.00 0.00 0.00 58.31 59.44 2dk4 n LYS 22 Cb 0.65 -2.30 -0.10 0.00 -0.00 0.00 0.00 35.03 33.28 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 -1.06 2.45 -1.17 -5.58 1.43 -1.26 -5.06 118.68 108.43 2dk4 s LEU 23 Ca 0.57 -1.02 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 2dk4 s LEU 23 Cb -0.56 0.03 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2dk4 s LEU 23 CO 0.61 -0.52 1.95 -0.81 0.23 0.00 0.00 176.35 177.81 2dk4 n PRO 24 N -0.01 2.28 -2.96 1.29 -0.04 -1.26 -4.57 135.00 129.74 2dk4 n PRO 24 Ca -0.12 -2.55 -0.01 0.00 -0.04 0.00 0.00 63.50 60.78 2dk4 n PRO 24 Cb 0.61 -3.36 -0.01 0.00 -0.04 0.00 0.00 33.50 30.70 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 7.46 -2.05 -0.09 0.54 2.81 -1.26 -4.94 117.12 119.59 2dk4 n MET 25 Ca 0.49 1.82 -0.11 0.00 -1.81 0.00 0.00 57.70 58.09 2dk4 n MET 25 Cb 0.43 -2.49 -0.15 0.00 -0.71 0.00 0.00 33.22 30.30 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 1.72 1.43 -4.32 2.03 -2.24 -1.26 -4.91 114.28 106.73 2dk4 n THR 26 Ca -0.09 -0.82 -0.34 0.00 -2.27 0.00 0.00 64.05 60.53 2dk4 n THR 26 Cb 0.28 -0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 67.76 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 -5.69 3.43 0.77 3.22 1.43 -1.26 -5.10 118.68 115.48 2dk4 s LEU 27 Ca -0.12 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2dk4 s LEU 27 Cb 0.07 -1.83 0.05 0.00 0.03 0.00 0.00 46.19 44.51 2dk4 s LEU 27 CO 0.80 0.22 1.10 -0.44 0.23 0.00 0.00 176.35 178.26 2dk4 s SER 28 N 0.09 4.83 0.19 2.29 0.01 -1.26 -4.72 113.70 115.13 2dk4 s SER 28 Ca 0.01 1.20 -0.24 0.00 1.31 0.00 0.00 55.95 58.23 2dk4 s SER 28 Cb -0.13 -1.95 0.08 0.00 0.21 0.00 0.00 66.02 64.23 2dk4 s SER 28 CO 0.02 -1.74 1.52 -2.11 0.41 0.00 0.00 173.24 171.34 2dk4 n ARG 29 N -3.27 -0.34 -0.01 12.44 -4.01 -1.26 0.16 116.66 120.37 2dk4 n ARG 29 Ca 0.07 1.50 -0.09 0.00 -1.04 0.00 0.00 57.85 58.29 2dk4 n ARG 29 Cb 0.57 -2.22 -0.03 0.00 -3.04 0.00 0.00 32.46 27.74 2dk4 n ARG 29 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 2dk4 h GLN 30 N 0.00 -0.09 -0.22 2.89 4.15 -1.97 1.18 115.11 121.05 2dk4 h GLN 30 Ca 0.25 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.74 2dk4 h GLN 30 Cb 0.49 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2dk4 h GLN 30 CO -0.95 -0.06 0.35 1.49 -1.93 0.00 0.00 178.83 177.73 2dk4 h GLU 31 N -0.10 0.00 0.01 1.69 4.57 -0.61 1.06 114.58 121.20 2dk4 h GLU 31 Ca 0.09 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.93 2dk4 h GLU 31 Cb 0.22 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 2dk4 h GLU 31 CO -0.20 0.00 -2.05 0.28 -1.18 0.00 0.00 179.01 175.86 2dk4 n VAL 32 N -3.44 1.53 -0.02 0.32 0.31 0.85 -4.00 118.33 113.88 2dk4 n VAL 32 Ca 0.03 -0.80 -0.12 0.00 -0.01 0.00 0.00 64.34 63.45 2dk4 n VAL 32 Cb 0.47 -0.89 0.02 0.00 -0.91 0.00 0.00 33.84 32.53 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 1.31 0.00 2.52 2.04 0.54 -2.78 117.51 121.15 2dk4 h ILE 33 Ca -0.42 -1.80 0.00 0.00 1.00 0.00 0.00 64.86 63.64 2dk4 h ILE 33 Cb 2.10 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 39.93 2dk4 h ILE 33 CO 0.05 0.57 0.00 0.54 0.00 0.00 0.00 178.15 179.31 2dk4 n ARG 34 N -3.97 0.00 -0.13 2.37 1.74 0.32 -0.14 116.66 116.85 2dk4 n ARG 34 Ca -0.04 0.37 -0.06 0.00 -0.77 0.00 0.00 57.85 57.35 2dk4 n ARG 34 Cb 0.62 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.77 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 -0.95 5.56 3.08 -1.69 0.43 114.38 120.72 2dk4 h ARG 35 Ca 0.00 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2dk4 h ARG 35 Cb 0.00 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 29.94 2dk4 h ARG 35 CO 0.00 -0.05 -0.50 1.28 -1.07 0.00 0.00 179.97 179.63 2dk4 n LEU 36 N -3.98 -0.88 -0.00 3.04 4.77 -1.05 0.20 117.00 119.10 2dk4 n LEU 36 Ca -0.00 1.68 -0.10 0.00 -0.03 0.00 0.00 56.01 57.56 2dk4 n LEU 36 Cb 0.14 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2dk4 n LEU 36 CO -0.04 -1.42 0.65 0.03 -1.33 0.00 0.00 177.39 175.28 2dk4 h ARG 37 N 0.00 -0.37 0.00 3.23 3.08 0.13 1.24 114.38 121.69 2dk4 h ARG 37 Ca 0.21 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2dk4 h ARG 37 Cb 0.45 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2dk4 h ARG 37 CO -0.91 -0.25 0.00 0.39 -1.07 0.00 0.00 179.97 178.13 2dk4 n GLU 38 N -5.41 0.10 -0.02 0.04 1.02 0.13 -1.10 120.64 115.40 2dk4 n GLU 38 Ca -0.03 0.47 -0.02 0.00 -0.02 0.00 0.00 57.16 57.56 2dk4 n GLU 38 Cb 0.32 -1.75 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.94 0.65 -0.67 3.49 5.12 0.53 -4.99 116.66 118.84 2dk4 n ARG 39 Ca 0.01 0.09 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2dk4 n ARG 39 Cb 0.11 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 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 1.49 1.37 3.72 -0.13 0.00 0.37 -5.04 105.19 106.97 2dk4 n GLY 40 Ca -0.16 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.87 2.41 -0.24 1.61 0.41 -0.32 -5.01 118.70 115.69 2dk4 s GLU 41 Ca 0.00 -1.46 -0.29 0.00 -0.41 0.00 0.00 54.97 52.81 2dk4 s GLU 41 Cb 0.00 -2.21 -0.01 0.00 -1.78 0.00 0.00 34.13 30.13 2dk4 s GLU 41 CO 0.00 0.21 1.32 -1.25 -0.49 0.00 0.00 175.26 175.05 2dk4 s PRO 42 N -3.80 4.03 0.64 0.39 0.04 -1.26 -4.28 135.00 130.76 2dk4 s PRO 42 Ca 0.35 1.45 0.32 0.00 0.04 0.00 0.00 61.00 63.17 2dk4 s PRO 42 Cb -0.04 -3.85 1.79 0.00 0.04 0.00 0.00 34.50 32.44 2dk4 s PRO 42 CO 0.22 -0.97 2.07 -0.84 0.04 0.00 0.00 177.00 177.51 2dk4 h ILE 43 N 5.79 0.18 -2.11 0.56 3.07 -1.93 -3.37 117.51 119.70 2dk4 h ILE 43 Ca -0.27 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.09 2dk4 h ILE 43 Cb 1.11 0.78 -0.26 0.00 -0.27 0.00 0.00 36.82 38.18 2dk4 h ILE 43 CO 1.01 0.00 -0.33 -0.60 -1.05 0.00 0.00 178.15 177.18 2dk4 s ARG 44 N -4.33 0.41 0.25 0.16 6.06 -1.26 -4.90 118.95 115.34 2dk4 s ARG 44 Ca -0.04 1.03 -0.04 0.00 -2.50 0.00 0.00 55.73 54.17 2dk4 s ARG 44 Cb 0.12 0.32 0.06 0.00 0.06 0.00 0.00 34.95 35.51 2dk4 s ARG 44 CO 0.41 -0.36 0.31 1.28 -2.50 0.00 0.00 175.30 174.44 2dk4 n LEU 45 N 5.40 0.00 -4.31 -0.88 4.77 -1.26 -4.93 117.00 115.80 2dk4 n LEU 45 Ca -0.07 -0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.14 2dk4 n LEU 45 Cb 0.50 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2dk4 n LEU 45 CO 0.01 -0.85 1.72 0.33 -1.33 0.00 0.00 177.39 177.27 2dk4 n PHE 46 N -2.58 4.38 0.00 -1.77 7.35 -1.26 -3.80 117.46 119.78 2dk4 n PHE 46 Ca 0.04 -3.11 0.00 0.00 -0.76 0.00 0.00 57.45 53.62 2dk4 n PHE 46 Cb 0.14 -2.25 0.00 0.00 0.35 0.00 0.00 39.48 37.72 2dk4 n PHE 46 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2dk4 n GLY 47 N 4.06 0.90 3.49 7.13 0.00 -1.26 -5.14 105.19 114.36 2dk4 n GLY 47 Ca 0.41 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 0.20 1.74 0.30 1.61 2.02 -1.25 -5.10 118.70 118.23 2dk4 s GLU 48 Ca 0.00 -1.54 0.09 0.00 0.02 0.00 0.00 54.97 53.54 2dk4 s GLU 48 Cb 0.00 -1.91 -0.06 0.00 0.10 0.00 0.00 34.13 32.26 2dk4 s GLU 48 CO 0.00 0.38 -0.12 -0.08 0.02 0.00 0.00 175.26 175.46 2dk4 s THR 49 N -2.00 2.14 0.42 3.63 -1.32 -1.26 -4.85 115.64 112.39 2dk4 s THR 49 Ca 0.25 -2.25 0.29 0.00 -1.21 0.00 0.00 61.69 58.78 2dk4 s THR 49 Cb -0.07 -2.44 0.47 0.00 -1.51 0.00 0.00 72.50 68.94 2dk4 s THR 49 CO 0.13 -0.32 1.59 0.44 -2.21 0.00 0.00 174.62 174.25 2dk4 h ASP 50 N 2.20 0.24 0.33 8.08 3.32 -1.97 0.74 116.42 129.36 2dk4 h ASP 50 Ca -0.41 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.80 2dk4 h ASP 50 Cb 1.25 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.98 2dk4 h ASP 50 CO 0.66 -0.28 -0.16 0.22 -1.72 0.00 0.00 179.24 177.95 2dk4 h TYR 51 N 0.02 -0.41 -0.52 4.55 5.03 -1.97 0.60 116.97 124.27 2dk4 h TYR 51 Ca 0.86 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 62.27 2dk4 h TYR 51 Cb 2.65 0.14 -0.10 0.00 1.55 0.00 0.00 36.73 40.97 2dk4 h TYR 51 CO -0.01 -0.26 -0.11 0.22 -1.32 0.00 0.00 178.16 176.69 2dk4 h ASP 52 N -0.68 -0.44 -0.87 -2.11 1.82 -1.17 1.46 116.42 114.43 2dk4 h ASP 52 Ca -0.05 0.15 0.07 0.00 -0.39 0.00 0.00 57.03 56.81 2dk4 h ASP 52 Cb 0.34 0.31 -0.06 0.00 0.68 0.00 0.00 39.33 40.59 2dk4 h ASP 52 CO 0.07 -0.16 0.53 0.00 -1.61 0.00 0.00 179.24 178.08 2dk4 h ALA 53 N 1.51 1.20 -0.18 -0.78 0.00 0.28 0.28 119.26 121.57 2dk4 h ALA 53 Ca 0.25 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 2dk4 h ALA 53 Cb 0.39 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2dk4 h ALA 53 CO -0.52 0.26 -0.12 0.35 0.00 0.00 0.00 179.25 179.22 2dk4 h PHE 54 N 0.96 0.47 0.39 0.00 3.57 0.20 -3.13 116.94 119.40 2dk4 h PHE 54 Ca 0.38 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2dk4 h PHE 54 Cb 0.20 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2dk4 h PHE 54 CO -0.03 0.73 -0.48 1.96 -2.23 0.00 0.00 178.31 178.26 2dk4 h GLN 55 N 0.08 -0.87 -0.94 1.11 4.20 0.25 0.52 115.11 119.46 2dk4 h GLN 55 Ca 0.04 0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.89 2dk4 h GLN 55 Cb 0.62 0.20 -0.11 0.00 0.30 0.00 0.00 27.48 28.49 2dk4 h GLN 55 CO 0.03 -0.58 -0.55 -2.13 -0.67 0.00 0.00 178.83 174.93 2dk4 n ARG 56 N -5.53 -0.41 0.14 1.46 0.63 0.03 -0.08 116.66 112.90 2dk4 n ARG 56 Ca -0.11 1.42 -0.14 0.00 -0.92 0.00 0.00 57.85 58.11 2dk4 n ARG 56 Cb 0.44 -2.09 -0.07 0.00 0.45 0.00 0.00 32.46 31.19 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 -0.29 -1.43 6.15 7.12 -1.43 0.15 115.31 125.57 2dk4 h LEU 57 Ca 0.16 0.02 0.21 0.00 0.13 0.00 0.00 57.88 58.40 2dk4 h LEU 57 Cb 0.39 0.09 -0.03 0.00 -0.53 0.00 0.00 40.66 40.58 2dk4 h LEU 57 CO -0.88 -0.19 0.88 -0.09 -0.13 0.00 0.00 178.44 178.02 2dk4 h ARG 58 N -0.30 0.00 0.06 1.25 1.12 0.35 1.63 114.38 118.48 2dk4 h ARG 58 Ca -0.02 0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.51 2dk4 h ARG 58 Cb 0.25 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.17 2dk4 h ARG 58 CO 0.02 0.00 -2.00 1.17 -3.11 0.00 0.00 179.97 176.05 2dk4 n LYS 59 N -3.40 0.70 -0.12 0.20 4.81 0.89 -3.99 118.16 117.25 2dk4 n LYS 59 Ca 0.16 0.24 -0.09 0.00 -0.87 0.00 0.00 58.31 57.74 2dk4 n LYS 59 Cb 1.12 -1.70 -0.01 0.00 0.02 0.00 0.00 35.03 34.47 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 -0.97 3.15 2.04 0.49 -1.94 117.51 121.46 2dk4 h ILE 60 Ca -0.41 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.25 2dk4 h ILE 60 Cb 2.03 0.72 -0.09 0.00 -0.74 0.00 0.00 36.82 38.74 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 0.48 0.63 0.50 2.37 4.39 -0.47 0.99 114.58 123.47 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 0.07 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2dk4 h GLU 61 CO -0.02 0.42 -0.24 0.82 -1.16 0.00 0.00 179.01 178.83 2dk4 h ILE 62 N 0.65 0.45 -0.65 3.13 2.04 -1.50 -3.05 117.51 118.58 2dk4 h ILE 62 Ca 0.53 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 66.12 2dk4 h ILE 62 Cb 0.97 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 2dk4 h ILE 62 CO -0.29 0.05 0.39 0.17 0.00 0.00 0.00 178.15 178.47 2dk4 h LEU 63 N -0.87 0.63 -9.96 1.44 8.10 -0.68 -3.42 115.31 110.56 2dk4 h LEU 63 Ca -0.07 0.01 -0.55 0.00 0.11 0.00 0.00 57.88 57.38 2dk4 h LEU 63 Cb 0.59 -0.13 0.13 0.00 -0.44 0.00 0.00 40.66 40.81 2dk4 h LEU 63 CO 0.11 0.43 0.63 0.41 -4.11 0.00 0.00 178.44 175.92 2dk4 n THR 64 N -4.72 2.92 -0.25 0.15 -1.04 0.33 -5.01 114.28 106.66 2dk4 n THR 64 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2dk4 n THR 64 Cb 0.10 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.86 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 -0.28 0.49 -3.37 -2.82 -0.04 -1.26 -4.68 135.00 123.05 2dk4 n PRO 65 Ca 0.06 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 2dk4 n PRO 65 Cb 0.42 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.42 -1.70 -3.61 0.54 1.02 -1.26 -4.96 120.64 110.24 2dk4 n GLU 66 Ca 0.00 1.30 -0.28 0.00 -0.02 0.00 0.00 57.16 58.16 2dk4 n GLU 66 Cb 0.00 -1.81 -0.16 0.00 -0.02 0.00 0.00 31.44 29.45 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2dk4 s VAL 67 N -1.34 0.13 0.09 2.62 1.01 -1.26 -5.11 120.40 116.53 2dk4 s VAL 67 Ca 0.34 -0.62 -0.36 0.00 0.00 0.00 0.00 61.98 61.34 2dk4 s VAL 67 Cb -0.03 -0.94 -0.17 0.00 0.00 0.00 0.00 36.38 35.23 2dk4 s VAL 67 CO 0.77 -0.50 1.15 0.59 0.00 0.00 0.00 175.10 177.10 2dk4 n ASN 68 N 5.18 0.84 -4.45 3.32 4.13 -1.26 -4.78 115.26 118.24 2dk4 n ASN 68 Ca -0.06 1.14 -0.43 0.00 1.68 0.00 0.00 54.58 56.91 2dk4 n ASN 68 Cb 0.45 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.60 2dk4 n ASN 68 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 2dk4 n LYS 69 N 1.90 0.57 0.00 3.52 0.00 -1.26 -4.98 118.16 117.91 2dk4 n LYS 69 Ca 0.18 0.21 0.00 0.00 0.00 0.00 0.00 58.31 58.70 2dk4 n LYS 69 Cb 0.17 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2dk4 n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dk4 n GLY 70 N 1.77 -0.12 1.26 3.14 0.00 -1.26 -5.07 105.19 104.92 2dk4 n GLY 70 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dk4 n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk4 n SER 71 N 0.00 0.56 0.00 1.61 2.88 -1.26 -5.17 113.62 112.25 2dk4 n SER 71 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2dk4 n SER 71 Cb 0.00 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 2dk4 n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk4 n GLY 72 N 3.03 3.01 3.76 0.46 0.00 -1.26 -5.17 105.19 109.02 2dk4 n GLY 72 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.53 0.60 1.61 0.04 -1.26 -4.91 135.00 128.55 2dk4 s PRO 73 Ca 0.00 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.70 2dk4 s PRO 73 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2dk4 s PRO 73 CO 0.00 -3.21 0.00 0.43 0.04 0.00 0.00 177.00 174.26 2dk4 n SER 74 N -4.34 -8.03 -2.67 6.66 7.64 -1.26 -5.02 113.62 106.60 2dk4 n SER 74 Ca 0.16 1.66 -0.00 0.00 1.01 0.00 0.00 58.87 61.69 2dk4 n SER 74 Cb 0.59 -5.04 0.02 0.00 -1.01 0.00 0.00 64.21 58.78 2dk4 n SER 74 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk4 s SER 75 N -6.31 -0.07 0.00 6.43 1.04 -1.26 -5.20 113.70 108.33 2dk4 s SER 75 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 2dk4 s SER 75 Cb 0.00 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2dk4 s SER 75 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82