#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 -0.33 -0.17 1.61 0.01 -1.26 -5.19 113.70 108.38 2dk4 s SER 2 Ca 0.00 0.05 -0.35 0.00 1.31 0.00 0.00 55.95 56.97 2dk4 s SER 2 Cb 0.00 0.33 0.14 0.00 0.21 0.00 0.00 66.02 66.70 2dk4 s SER 2 CO 0.00 -0.52 1.28 -0.55 0.41 0.00 0.00 173.24 173.86 2dk4 s SER 3 N -2.25 -0.08 0.34 2.44 0.15 -1.26 -5.19 113.70 107.85 2dk4 s SER 3 Ca 0.05 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 2dk4 s SER 3 Cb -0.01 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 2dk4 s SER 3 CO -0.07 -0.18 0.65 -0.83 1.20 0.00 0.00 173.24 174.01 2dk4 s GLY 4 N -2.37 0.66 -0.24 9.45 0.00 -1.26 -5.18 107.32 108.38 2dk4 s GLY 4 Ca 0.11 -0.94 -0.32 0.00 0.00 0.00 0.00 44.72 43.58 2dk4 s GLY 4 CO -0.04 -0.52 1.26 -1.35 0.00 0.00 0.00 173.10 172.44 2dk4 s SER 5 N -3.10 -0.12 -0.24 1.64 1.04 -1.26 -5.14 113.70 106.53 2dk4 s SER 5 Ca 0.20 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.70 2dk4 s SER 5 Cb -0.03 0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.21 2dk4 s SER 5 CO 0.13 -0.14 -0.06 -0.94 0.98 0.00 0.00 173.24 173.21 2dk4 s SER 6 N -1.43 4.23 0.25 7.02 1.04 -1.26 -5.08 113.70 118.48 2dk4 s SER 6 Ca 0.07 -0.70 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 2dk4 s SER 6 Cb -0.01 -1.68 0.03 0.00 0.10 0.00 0.00 66.02 64.46 2dk4 s SER 6 CO -0.05 -0.09 0.73 -0.83 0.98 0.00 0.00 173.24 173.99 2dk4 s GLY 7 N 1.38 -0.16 -0.38 7.32 0.00 -1.26 -5.09 107.32 109.12 2dk4 s GLY 7 Ca 0.02 -0.17 0.11 0.00 0.00 0.00 0.00 44.72 44.68 2dk4 s GLY 7 CO -0.05 -0.05 0.70 -0.37 0.00 0.00 0.00 173.10 173.33 2dk4 n THR 8 N -0.45 -0.14 -4.40 0.90 5.66 -1.26 -5.10 114.28 109.49 2dk4 n THR 8 Ca -0.06 -4.51 -0.20 0.00 -3.05 0.00 0.00 64.05 56.23 2dk4 n THR 8 Cb 0.60 -0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 68.61 2dk4 n THR 8 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2dk4 s SER 9 N -2.21 2.11 -0.00 1.09 1.04 -1.26 -5.09 113.70 109.37 2dk4 s SER 9 Ca 0.39 -1.33 -0.06 0.00 0.48 0.00 0.00 55.95 55.44 2dk4 s SER 9 Cb 0.31 -0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2dk4 s SER 9 CO -0.09 -0.58 -0.12 -0.24 0.98 0.00 0.00 173.24 173.19 2dk4 n SER 10 N -0.58 1.27 -2.68 7.02 2.88 -1.26 -5.11 113.62 115.16 2dk4 n SER 10 Ca -0.03 0.19 -0.03 0.00 -1.33 0.00 0.00 58.87 57.67 2dk4 n SER 10 Cb 0.66 -0.46 -0.02 0.00 -0.75 0.00 0.00 64.21 63.64 2dk4 n SER 10 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2dk4 n ASN 11 N -3.71 -4.68 -0.01 -3.46 4.13 -1.26 -4.94 115.26 101.33 2dk4 n ASN 11 Ca -0.05 1.39 -0.17 0.00 1.68 0.00 0.00 54.58 57.44 2dk4 n ASN 11 Cb 0.17 -5.25 -0.10 0.00 -1.54 0.00 0.00 39.78 33.06 2dk4 n ASN 11 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2dk4 h PRO 12 N 3.56 0.39 -1.86 3.52 0.13 -2.08 -3.49 132.00 132.16 2dk4 h PRO 12 Ca -0.25 -0.38 0.21 0.00 -0.87 0.00 0.00 66.00 64.71 2dk4 h PRO 12 Cb 0.58 0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.75 2dk4 h PRO 12 CO 0.06 1.04 -0.32 1.55 -0.23 0.00 0.00 178.00 180.10 2dk4 n VAL 13 N -4.29 0.00 -3.64 1.56 3.14 -1.26 -4.93 118.33 108.91 2dk4 n VAL 13 Ca -0.10 0.05 -0.03 0.00 -2.96 0.00 0.00 64.34 61.31 2dk4 n VAL 13 Cb 0.61 -0.32 -0.05 0.00 -1.06 0.00 0.00 33.84 33.02 2dk4 n VAL 13 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2dk4 s LEU 14 N -4.52 -1.07 1.02 6.55 2.96 -1.26 -5.16 118.68 117.20 2dk4 s LEU 14 Ca 0.00 1.53 -0.11 0.00 -0.22 0.00 0.00 54.13 55.33 2dk4 s LEU 14 Cb 0.00 2.31 0.19 0.00 0.50 0.00 0.00 46.19 49.19 2dk4 s LEU 14 CO 0.00 -0.22 1.02 1.21 -1.32 0.00 0.00 176.35 177.04 2dk4 n GLU 15 N 5.07 -1.19 0.00 1.98 2.13 -1.26 -5.05 120.64 122.32 2dk4 n GLU 15 Ca -0.14 -0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.38 2dk4 n GLU 15 Cb 0.52 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.98 2dk4 n GLU 15 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2dk4 n LEU 16 N -4.24 0.00 -3.23 4.31 4.77 -1.26 -5.01 117.00 112.34 2dk4 n LEU 16 Ca 0.08 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 2dk4 n LEU 16 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 2dk4 n LEU 16 CO 0.52 0.00 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.72 2dk4 n GLU 17 N 0.00 -1.93 -3.21 3.23 1.02 -1.26 -4.99 120.64 113.50 2dk4 n GLU 17 Ca 0.00 1.62 -0.18 0.00 -0.02 0.00 0.00 57.16 58.58 2dk4 n GLU 17 Cb 0.00 -3.10 0.00 0.00 -0.02 0.00 0.00 31.44 28.33 2dk4 n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2dk4 s LEU 18 N -2.22 3.80 0.00 -4.62 2.01 -1.26 -5.09 118.68 111.30 2dk4 s LEU 18 Ca 0.27 -0.28 0.00 0.00 0.01 0.00 0.00 54.13 54.13 2dk4 s LEU 18 Cb -0.04 -2.73 0.00 0.00 0.01 0.00 0.00 46.19 43.43 2dk4 s LEU 18 CO 0.72 -0.62 0.00 0.00 1.01 0.00 0.00 176.35 177.46 2dk4 n ALA 19 N -1.77 0.00 -2.57 4.21 0.00 -1.26 -5.06 120.51 114.06 2dk4 n ALA 19 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2dk4 n ALA 19 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 3.81 -1.00 0.00 4.07 -1.26 -4.78 120.64 121.49 2dk4 n GLU 20 Ca 0.00 -4.49 -0.22 0.00 -0.06 0.00 0.00 57.16 52.40 2dk4 n GLU 20 Cb 0.00 -2.31 0.08 0.00 -0.06 0.00 0.00 31.44 29.15 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 -0.30 2.06 -4.21 5.31 4.71 -1.26 -4.90 120.64 122.05 2dk4 n GLU 21 Ca 0.41 -2.20 -0.25 0.00 -0.01 0.00 0.00 57.16 55.11 2dk4 n GLU 21 Cb 0.38 -1.86 -0.08 0.00 -1.01 0.00 0.00 31.44 28.87 2dk4 n GLU 21 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2dk4 s LYS 22 N -2.51 2.18 0.59 3.49 -0.14 -1.26 -5.05 119.74 117.04 2dk4 s LYS 22 Ca 0.43 -1.90 0.00 0.00 -1.36 0.00 0.00 55.97 53.14 2dk4 s LYS 22 Cb 0.34 -1.92 0.00 0.00 -1.68 0.00 0.00 37.83 34.57 2dk4 s LYS 22 CO 0.02 -0.12 0.00 -0.11 -0.76 0.00 0.00 175.35 174.38 2dk4 n LEU 23 N -1.21 -1.26 0.00 3.17 7.94 -1.26 -4.95 117.00 119.43 2dk4 n LEU 23 Ca -0.02 2.50 0.00 0.00 -1.11 0.00 0.00 56.01 57.38 2dk4 n LEU 23 Cb 0.65 -2.93 0.00 0.00 0.53 0.00 0.00 43.42 41.67 2dk4 n LEU 23 CO 0.46 -1.50 0.00 -0.81 -1.11 0.00 0.00 177.39 174.43 2dk4 n PRO 24 N -3.52 0.07 -1.71 1.96 -0.04 -1.26 -4.81 135.00 125.68 2dk4 n PRO 24 Ca -0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.11 2dk4 n PRO 24 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.78 1.22 -0.57 0.54 2.81 -1.26 -4.71 117.12 114.37 2dk4 n MET 25 Ca 0.00 -2.13 0.46 0.00 -1.81 0.00 0.00 57.70 54.21 2dk4 n MET 25 Cb 0.00 -3.54 0.74 0.00 -0.71 0.00 0.00 33.22 29.71 2dk4 n MET 25 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2dk4 h THR 26 N 5.86 0.04 -4.03 2.03 1.35 -1.94 -3.35 112.91 112.87 2dk4 h THR 26 Ca 0.22 -0.01 -0.69 0.00 -0.55 0.00 0.00 66.41 65.39 2dk4 h THR 26 Cb 0.88 0.02 -0.23 0.00 -1.73 0.00 0.00 68.15 67.09 2dk4 h THR 26 CO 1.38 0.00 -0.77 -0.76 -0.25 0.00 0.00 175.52 175.12 2dk4 s LEU 27 N -8.72 2.72 0.55 3.87 1.43 -1.26 -5.13 118.68 112.14 2dk4 s LEU 27 Ca -0.06 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 2dk4 s LEU 27 Cb 0.29 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2dk4 s LEU 27 CO 0.86 0.34 0.84 -0.94 0.23 0.00 0.00 176.35 177.67 2dk4 s SER 28 N -0.79 5.72 0.09 2.29 1.04 -1.26 -4.80 113.70 115.99 2dk4 s SER 28 Ca 0.12 0.64 -0.18 0.00 0.48 0.00 0.00 55.95 57.01 2dk4 s SER 28 Cb -0.11 -1.72 -0.04 0.00 0.10 0.00 0.00 66.02 64.25 2dk4 s SER 28 CO 0.01 -0.93 1.16 -2.11 0.98 0.00 0.00 173.24 172.35 2dk4 n ARG 29 N -2.43 -0.25 -0.11 4.02 1.85 -1.26 0.33 116.66 118.80 2dk4 n ARG 29 Ca 0.03 1.14 -0.06 0.00 -1.00 0.00 0.00 57.85 57.97 2dk4 n ARG 29 Cb 0.57 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 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 -0.15 -0.21 2.89 4.15 -1.97 1.53 115.11 121.35 2dk4 h GLN 30 Ca 0.09 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.58 2dk4 h GLN 30 Cb 0.24 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2dk4 h GLN 30 CO -0.54 -0.10 0.31 1.49 -1.93 0.00 0.00 178.83 178.06 2dk4 h GLU 31 N -0.15 0.00 0.00 1.69 4.57 -0.47 1.18 114.58 121.39 2dk4 h GLU 31 Ca 0.19 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 58.16 2dk4 h GLU 31 Cb 0.45 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 2dk4 h GLU 31 CO -0.48 0.00 -1.82 0.28 -1.18 0.00 0.00 179.01 175.81 2dk4 n VAL 32 N -3.49 1.08 0.08 0.32 0.31 0.23 -3.96 118.33 112.91 2dk4 n VAL 32 Ca 0.02 -0.72 -0.19 0.00 -0.01 0.00 0.00 64.34 63.45 2dk4 n VAL 32 Cb 0.43 -0.56 -0.11 0.00 -0.91 0.00 0.00 33.84 32.70 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 1.33 0.00 2.52 2.04 0.69 -2.93 117.51 121.15 2dk4 h ILE 33 Ca -0.26 -2.47 0.00 0.00 1.00 0.00 0.00 64.86 63.14 2dk4 h ILE 33 Cb 1.71 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 40.38 2dk4 h ILE 33 CO 0.04 0.75 0.00 -1.14 0.00 0.00 0.00 178.15 177.79 2dk4 n ARG 34 N -3.77 0.00 -0.07 2.37 0.00 0.35 -0.20 116.66 115.34 2dk4 n ARG 34 Ca -0.11 0.49 -0.07 0.00 -0.00 0.00 0.00 57.85 58.17 2dk4 n ARG 34 Cb 0.93 -1.37 -0.05 0.00 0.00 0.00 0.00 32.46 31.98 2dk4 n ARG 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2dk4 h ARG 35 N 0.00 -0.18 -0.98 -0.14 3.08 -1.72 1.31 114.38 115.76 2dk4 h ARG 35 Ca 0.00 0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.38 2dk4 h ARG 35 Cb 0.00 0.04 -0.18 0.00 0.08 0.00 0.00 29.97 29.91 2dk4 h ARG 35 CO 0.00 -0.12 0.19 1.28 -1.07 0.00 0.00 179.97 180.25 2dk4 n LEU 36 N -3.97 0.04 0.08 3.04 4.77 -1.11 0.19 117.00 120.03 2dk4 n LEU 36 Ca -0.02 1.66 -0.12 0.00 -0.03 0.00 0.00 56.01 57.50 2dk4 n LEU 36 Cb 0.16 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.50 2dk4 n LEU 36 CO 0.00 -1.74 0.54 0.03 -1.33 0.00 0.00 177.39 174.89 2dk4 h ARG 37 N 0.00 -0.22 0.00 3.23 3.08 0.26 1.05 114.38 121.78 2dk4 h ARG 37 Ca 0.67 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.74 2dk4 h ARG 37 Cb 1.55 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.65 2dk4 h ARG 37 CO -0.87 0.17 0.00 0.39 -1.07 0.00 0.00 179.97 178.59 2dk4 n GLU 38 N -4.99 0.12 0.00 0.04 1.02 0.42 0.03 120.64 117.28 2dk4 n GLU 38 Ca -0.09 0.59 0.11 0.00 -0.02 0.00 0.00 57.16 57.75 2dk4 n GLU 38 Cb 0.25 -1.88 -0.12 0.00 -0.02 0.00 0.00 31.44 29.67 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 -2.13 0.41 -0.44 3.49 5.12 0.49 -4.96 116.66 118.64 2dk4 n ARG 39 Ca -0.01 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2dk4 n ARG 39 Cb 0.05 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 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 1.34 0.75 3.83 -0.13 0.00 0.10 -5.04 105.19 106.05 2dk4 n GLY 40 Ca -0.01 0.00 -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 -0.54 3.38 -0.08 1.61 0.41 0.34 -4.95 118.70 118.87 2dk4 s GLU 41 Ca 0.00 0.99 -0.30 0.00 -0.41 0.00 0.00 54.97 55.25 2dk4 s GLU 41 Cb 0.00 -2.05 -0.03 0.00 -1.78 0.00 0.00 34.13 30.27 2dk4 s GLU 41 CO 0.00 -0.75 1.23 -1.25 -0.49 0.00 0.00 175.26 174.01 2dk4 s PRO 42 N -4.58 4.31 0.45 0.39 0.04 -1.26 -4.02 135.00 130.33 2dk4 s PRO 42 Ca 0.59 1.69 0.31 0.00 0.04 0.00 0.00 61.00 63.63 2dk4 s PRO 42 Cb -0.13 -3.62 1.45 0.00 0.04 0.00 0.00 34.50 32.25 2dk4 s PRO 42 CO 0.45 -0.53 1.92 -0.84 0.04 0.00 0.00 177.00 178.04 2dk4 h ILE 43 N 5.13 0.00 -2.39 0.56 3.07 -1.91 -3.37 117.51 118.61 2dk4 h ILE 43 Ca -0.32 -0.21 -0.36 0.00 1.55 0.00 0.00 64.86 65.52 2dk4 h ILE 43 Cb 1.15 1.02 -0.35 0.00 -0.27 0.00 0.00 36.82 38.37 2dk4 h ILE 43 CO 0.91 0.00 -0.66 -0.60 -1.05 0.00 0.00 178.15 176.75 2dk4 s ARG 44 N -3.65 0.25 0.14 0.16 6.06 -1.26 -4.89 118.95 115.76 2dk4 s ARG 44 Ca -0.00 -0.09 -0.02 0.00 -2.50 0.00 0.00 55.73 53.12 2dk4 s ARG 44 Cb 0.09 -0.94 0.03 0.00 0.06 0.00 0.00 34.95 34.20 2dk4 s ARG 44 CO 0.40 -0.89 0.19 1.28 -2.50 0.00 0.00 175.30 173.77 2dk4 n LEU 45 N 5.30 0.00 -4.56 -0.88 4.32 -1.26 -4.86 117.00 115.07 2dk4 n LEU 45 Ca -0.04 -0.21 -0.22 0.00 -0.02 0.00 0.00 56.01 55.52 2dk4 n LEU 45 Cb 0.47 -0.14 -0.06 0.00 -1.62 0.00 0.00 43.42 42.07 2dk4 n LEU 45 CO 0.04 -0.64 1.45 -0.36 -1.22 0.00 0.00 177.39 176.66 2dk4 s PHE 46 N -1.41 1.24 -0.94 -1.77 0.08 -1.26 -2.78 117.98 111.13 2dk4 s PHE 46 Ca 0.11 1.65 -0.04 0.00 0.12 0.00 0.00 56.93 58.76 2dk4 s PHE 46 Cb -0.00 -3.59 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 2dk4 s PHE 46 CO 0.08 -1.87 0.82 0.41 -0.10 0.00 0.00 175.22 174.55 2dk4 n GLY 47 N 6.56 -0.74 3.43 4.36 0.00 -1.26 -5.00 105.19 112.54 2dk4 n GLY 47 Ca 0.42 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.45 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 -4.44 3.62 0.62 1.61 2.02 -1.12 -5.09 118.70 115.93 2dk4 s GLU 48 Ca 0.31 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 54.69 2dk4 s GLU 48 Cb -0.04 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 2dk4 s GLU 48 CO 0.64 -0.14 1.02 -0.08 0.02 0.00 0.00 175.26 176.72 2dk4 s THR 49 N 1.45 4.65 0.24 3.63 -1.32 -1.26 -4.66 115.64 118.37 2dk4 s THR 49 Ca 0.05 0.81 -0.15 0.00 -1.21 0.00 0.00 61.69 61.20 2dk4 s THR 49 Cb -0.15 -3.85 0.30 0.00 -1.51 0.00 0.00 72.50 67.30 2dk4 s THR 49 CO 0.02 -1.10 1.56 0.44 -2.21 0.00 0.00 174.62 173.33 2dk4 h ASP 50 N -0.31 -1.25 -0.14 8.08 5.19 -1.98 0.66 116.42 126.67 2dk4 h ASP 50 Ca -0.44 0.30 0.03 0.00 -0.62 0.00 0.00 57.03 56.30 2dk4 h ASP 50 Cb 1.19 0.70 -0.03 0.00 0.18 0.00 0.00 39.33 41.37 2dk4 h ASP 50 CO 0.62 -0.30 -0.05 0.22 -3.12 0.00 0.00 179.24 176.61 2dk4 h TYR 51 N -0.01 -0.11 0.25 4.55 5.03 -1.97 0.83 116.97 125.53 2dk4 h TYR 51 Ca 0.38 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.71 2dk4 h TYR 51 Cb 0.63 0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.95 2dk4 h TYR 51 CO -0.82 -0.08 -0.39 -0.44 -1.32 0.00 0.00 178.16 175.10 2dk4 h ASP 52 N -0.02 -1.10 -0.67 -2.11 3.32 -0.30 0.71 116.42 116.25 2dk4 h ASP 52 Ca 0.07 0.11 0.07 0.00 0.02 0.00 0.00 57.03 57.30 2dk4 h ASP 52 Cb 0.14 0.39 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 2dk4 h ASP 52 CO -0.16 -0.50 0.35 0.00 -1.72 0.00 0.00 179.24 177.21 2dk4 h ALA 53 N -0.24 0.90 0.39 3.45 0.00 0.19 0.06 119.26 124.01 2dk4 h ALA 53 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dk4 h ALA 53 Cb 0.68 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2dk4 h ALA 53 CO -0.15 0.01 -0.31 0.35 0.00 0.00 0.00 179.25 179.15 2dk4 h PHE 54 N 0.64 -0.83 0.17 0.00 3.57 0.15 -2.21 116.94 118.44 2dk4 h PHE 54 Ca 0.31 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.82 2dk4 h PHE 54 Cb 0.24 0.31 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2dk4 h PHE 54 CO -0.09 -0.46 -0.44 1.96 -2.23 0.00 0.00 178.31 177.05 2dk4 h GLN 55 N -0.70 -0.68 -0.95 1.11 1.08 0.84 0.65 115.11 116.46 2dk4 h GLN 55 Ca -0.03 0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.30 2dk4 h GLN 55 Cb 0.61 0.15 -0.12 0.00 -0.05 0.00 0.00 27.48 28.08 2dk4 h GLN 55 CO -0.01 -0.45 -0.56 -2.13 -0.95 0.00 0.00 178.83 174.72 2dk4 n ARG 56 N -5.48 -0.41 0.09 1.46 0.63 -0.03 0.08 116.66 112.99 2dk4 n ARG 56 Ca -0.08 1.44 -0.13 0.00 -0.92 0.00 0.00 57.85 58.16 2dk4 n ARG 56 Cb 0.39 -2.12 -0.08 0.00 0.45 0.00 0.00 32.46 31.11 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 -0.12 -1.45 6.15 7.12 -1.02 0.64 115.31 126.64 2dk4 h LEU 57 Ca 0.16 -0.04 0.19 0.00 0.13 0.00 0.00 57.88 58.32 2dk4 h LEU 57 Cb 0.39 0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2dk4 h LEU 57 CO -0.90 -0.04 0.84 -0.09 -0.13 0.00 0.00 178.44 178.12 2dk4 h ARG 58 N -0.19 0.00 0.05 1.25 1.12 0.36 1.61 114.38 118.59 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 -1.98 1.17 -3.11 0.00 0.00 179.97 176.07 2dk4 n LYS 59 N -3.38 0.69 -0.12 0.20 3.00 0.11 -3.94 118.16 114.72 2dk4 n LYS 59 Ca 0.14 0.23 -0.09 0.00 -0.00 0.00 0.00 58.31 58.59 2dk4 n LYS 59 Cb 1.06 -1.70 -0.01 0.00 0.00 0.00 0.00 35.03 34.38 2dk4 n LYS 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2dk4 h ILE 60 N 0.03 1.16 -0.93 3.15 2.04 0.44 -1.54 117.51 121.86 2dk4 h ILE 60 Ca -0.40 -0.44 0.15 0.00 1.00 0.00 0.00 64.86 65.17 2dk4 h ILE 60 Cb 2.04 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 38.81 2dk4 h ILE 60 CO 0.06 0.17 0.59 -0.33 0.00 0.00 0.00 178.15 178.64 2dk4 h GLU 61 N 0.46 0.69 0.49 2.37 4.39 -0.59 -1.65 114.58 120.73 2dk4 h GLU 61 Ca 0.13 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2dk4 h GLU 61 Cb 0.10 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2dk4 h GLU 61 CO -0.02 0.46 -0.23 0.82 -1.16 0.00 0.00 179.01 178.87 2dk4 h ILE 62 N 0.71 0.38 -0.72 3.13 2.04 -1.50 -3.25 117.51 118.29 2dk4 h ILE 62 Ca 0.48 -0.45 0.07 0.00 1.00 0.00 0.00 64.86 65.95 2dk4 h ILE 62 Cb 0.77 0.53 -0.09 0.00 -0.74 0.00 0.00 36.82 37.29 2dk4 h ILE 62 CO -0.24 0.06 -0.44 -0.07 0.00 0.00 0.00 178.15 177.46 2dk4 h LEU 63 N -0.97 -1.62 -9.47 1.44 3.38 -0.46 -3.40 115.31 104.20 2dk4 h LEU 63 Ca -0.07 0.24 -0.59 0.00 0.09 0.00 0.00 57.88 57.56 2dk4 h LEU 63 Cb 0.60 0.71 0.15 0.00 0.09 0.00 0.00 40.66 42.21 2dk4 h LEU 63 CO 0.11 -0.18 -0.25 0.41 0.09 0.00 0.00 178.44 178.61 2dk4 n THR 64 N -4.70 2.14 -0.27 0.22 -1.04 -0.70 -4.98 114.28 104.94 2dk4 n THR 64 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 2dk4 n THR 64 Cb 0.20 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.24 0.46 -3.09 -2.82 -0.04 -1.26 -4.77 135.00 123.72 2dk4 n PRO 65 Ca 0.11 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.41 2dk4 n PRO 65 Cb 0.42 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.45 -2.12 -3.65 0.54 1.02 -1.26 -5.03 120.64 109.69 2dk4 n GLU 66 Ca 0.00 1.82 -0.03 0.00 -0.02 0.00 0.00 57.16 58.93 2dk4 n GLU 66 Cb 0.00 -3.77 -0.07 0.00 -0.02 0.00 0.00 31.44 27.58 2dk4 n GLU 66 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2dk4 s VAL 67 N -1.84 0.00 0.04 2.62 0.11 -1.26 -5.12 120.40 114.95 2dk4 s VAL 67 Ca 0.22 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2dk4 s VAL 67 Cb -0.04 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.79 2dk4 s VAL 67 CO 0.70 0.00 -0.09 0.20 -3.33 0.00 0.00 175.10 172.58 2dk4 s ASN 68 N 0.60 1.01 0.15 3.54 -0.87 -1.26 -5.15 114.94 112.96 2dk4 s ASN 68 Ca -0.01 -0.48 -0.24 0.00 -1.57 0.00 0.00 52.86 50.56 2dk4 s ASN 68 Cb -0.04 -0.01 0.06 0.00 -0.02 0.00 0.00 41.25 41.25 2dk4 s ASN 68 CO -0.12 -0.12 0.80 -0.75 -2.57 0.00 0.00 177.10 174.34 2dk4 s LYS 69 N -1.33 1.29 0.41 -0.60 2.36 -1.26 -5.15 119.74 115.45 2dk4 s LYS 69 Ca -0.06 -0.62 -0.26 0.00 -2.55 0.00 0.00 55.97 52.48 2dk4 s LYS 69 Cb -0.09 0.50 -0.09 0.00 -1.05 0.00 0.00 37.83 37.10 2dk4 s LYS 69 CO 0.01 -0.58 1.33 0.20 1.55 0.00 0.00 175.35 177.86 2dk4 s GLY 70 N -2.79 2.93 0.78 5.54 0.00 -1.26 -4.99 107.32 107.52 2dk4 s GLY 70 Ca 0.08 1.28 -0.11 0.00 0.00 0.00 0.00 44.72 45.97 2dk4 s GLY 70 CO -0.02 1.88 1.08 -0.45 0.00 0.00 0.00 173.10 175.59 2dk4 s SER 71 N -0.66 4.57 -0.38 1.64 0.15 -1.26 -5.04 113.70 112.72 2dk4 s SER 71 Ca 0.57 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.80 2dk4 s SER 71 Cb -0.39 -2.34 0.13 0.00 -1.71 0.00 0.00 66.02 61.71 2dk4 s SER 71 CO 0.51 -1.96 0.21 -0.83 1.20 0.00 0.00 173.24 172.37 2dk4 s GLY 72 N -3.64 1.13 0.51 9.45 0.00 -1.26 -5.13 107.32 108.39 2dk4 s GLY 72 Ca 0.61 -2.06 -0.19 0.00 0.00 0.00 0.00 44.72 43.07 2dk4 s GLY 72 CO 0.55 1.86 1.04 2.56 0.00 0.00 0.00 173.10 179.12 2dk4 s PRO 73 N 0.92 3.69 -0.30 2.90 0.04 -1.26 -5.05 135.00 135.94 2dk4 s PRO 73 Ca 0.17 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.41 2dk4 s PRO 73 Cb -0.23 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.40 2dk4 s PRO 73 CO -0.03 -0.52 0.88 0.45 0.04 0.00 0.00 177.00 177.82 2dk4 s SER 74 N -2.20 -0.79 -0.86 6.66 0.15 -1.26 -5.09 113.70 110.31 2dk4 s SER 74 Ca 0.66 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.86 2dk4 s SER 74 Cb -0.16 1.79 -0.02 0.00 -1.71 0.00 0.00 66.02 65.91 2dk4 s SER 74 CO 0.24 -0.15 1.81 -0.55 1.20 0.00 0.00 173.24 175.80 2dk4 s SER 75 N 2.72 5.44 0.00 5.45 0.15 -1.26 -5.24 113.70 120.96 2dk4 s SER 75 Ca 0.02 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2dk4 s SER 75 Cb -0.10 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dk4 s SER 75 CO -0.17 -2.43 0.00 0.61 1.20 0.00 0.00 173.24 172.46