#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz n SER 2 N 0.00 -7.87 -4.32 1.61 7.64 -1.26 -5.06 113.62 104.36 2dkz n SER 2 Ca 0.00 1.18 -0.17 0.00 1.01 0.00 0.00 58.87 60.89 2dkz n SER 2 Cb 0.00 -4.97 -0.10 0.00 -1.01 0.00 0.00 64.21 58.12 2dkz n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dkz s SER 3 N -1.74 1.47 0.00 6.43 0.15 -1.26 -5.03 113.70 113.72 2dkz s SER 3 Ca 0.05 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.40 2dkz s SER 3 Cb -0.01 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2dkz s SER 3 CO 0.72 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 175.14 2dkz n GLY 4 N -0.43 -1.02 2.36 9.45 0.00 -1.26 -4.77 105.19 109.52 2dkz n GLY 4 Ca -0.03 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 2dkz n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkz n SER 5 N -1.42 3.66 -0.06 1.61 7.64 -1.26 -4.75 113.62 119.04 2dkz n SER 5 Ca 0.00 -3.15 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 2dkz n SER 5 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 2dkz n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dkz n SER 6 N -0.62 1.88 -3.03 6.43 7.64 -1.26 -4.93 113.62 119.73 2dkz n SER 6 Ca 0.30 0.05 -0.16 0.00 1.01 0.00 0.00 58.87 60.07 2dkz n SER 6 Cb 0.88 -0.28 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 7 N 2.55 1.20 3.77 0.23 0.00 -1.26 -5.14 105.19 106.54 2dkz n GLY 7 Ca -0.23 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 2dkz n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkz s PRO 8 N 0.05 2.65 0.54 1.61 0.04 -1.26 -4.98 135.00 133.65 2dkz s PRO 8 Ca 0.33 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.48 2dkz s PRO 8 Cb 0.12 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2dkz s PRO 8 CO -0.15 -1.36 1.31 1.87 0.04 0.00 0.00 177.00 178.71 2dkz n TRP 9 N -2.72 2.16 -3.86 0.56 -0.00 -1.26 -5.03 117.44 107.29 2dkz n TRP 9 Ca 0.10 0.44 -0.09 0.00 -0.00 0.00 0.00 57.50 57.95 2dkz n TRP 9 Cb 0.52 -2.35 -0.07 0.00 -0.00 0.00 0.00 31.31 29.42 2dkz n TRP 9 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2dkz s GLN 10 N -2.80 0.89 0.56 5.87 -0.21 -1.26 -4.99 119.66 117.73 2dkz s GLN 10 Ca 0.71 -0.97 -0.19 0.00 0.02 0.00 0.00 55.36 54.93 2dkz s GLN 10 Cb -0.43 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 33.89 2dkz s GLN 10 CO 0.50 -0.29 1.13 -1.25 -2.12 0.00 0.00 175.29 173.25 2dkz s PRO 11 N -3.87 3.25 0.65 2.91 0.04 -1.26 -5.05 135.00 131.68 2dkz s PRO 11 Ca 0.06 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2dkz s PRO 11 Cb 0.05 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.75 2dkz s PRO 11 CO -0.10 -0.92 0.58 -0.35 0.04 0.00 0.00 177.00 176.25 2dkz n PRO 12 N -1.51 -2.15 -0.12 0.56 -0.04 -1.26 -4.95 135.00 125.53 2dkz n PRO 12 Ca 0.11 -0.93 -0.06 0.00 -0.04 0.00 0.00 63.50 62.58 2dkz n PRO 12 Cb 0.51 -0.87 0.11 0.00 -0.04 0.00 0.00 33.50 33.22 2dkz n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkz h ALA 13 N -2.40 0.98 -3.59 0.55 0.00 -2.04 -3.42 119.26 109.35 2dkz h ALA 13 Ca -0.22 -0.31 -0.68 0.00 0.00 0.00 0.00 54.91 53.71 2dkz h ALA 13 Cb 0.67 -0.19 -0.29 0.00 0.00 0.00 0.00 17.79 17.97 2dkz h ALA 13 CO 0.14 0.61 -0.83 -0.51 0.00 0.00 0.00 179.25 178.66 2dkz s ASP 14 N -6.66 3.51 -0.48 0.00 1.11 -1.26 -5.02 116.67 107.87 2dkz s ASP 14 Ca -0.10 -0.42 -0.02 0.00 0.18 0.00 0.00 52.55 52.19 2dkz s ASP 14 Cb 0.14 -1.27 0.24 0.00 1.07 0.00 0.00 42.92 43.11 2dkz s ASP 14 CO 0.83 0.21 2.21 0.18 1.18 0.00 0.00 175.17 179.77 2dkz n LEU 15 N 3.23 6.86 -0.05 1.23 4.77 -1.26 -4.12 117.00 127.66 2dkz n LEU 15 Ca -0.18 -3.85 -0.05 0.00 -0.03 0.00 0.00 56.01 51.90 2dkz n LEU 15 Cb 0.53 -1.08 -0.09 0.00 -2.33 0.00 0.00 43.42 40.44 2dkz n LEU 15 CO 0.28 1.45 -0.87 -1.20 -1.33 0.00 0.00 177.39 175.72 2dkz n SER 16 N 0.10 2.06 -1.62 -1.43 7.64 -1.26 -3.44 113.62 115.67 2dkz n SER 16 Ca 0.44 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.31 2dkz n SER 16 Cb 0.56 0.85 0.25 0.00 -1.01 0.00 0.00 64.21 64.86 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 17 N 2.23 2.92 3.81 0.23 0.00 -1.26 -3.39 105.19 109.73 2dkz n GLY 17 Ca -0.18 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2dkz n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkz s LEU 18 N -2.12 4.18 0.62 0.99 1.43 -1.26 -5.02 118.68 117.50 2dkz s LEU 18 Ca 0.40 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 2dkz s LEU 18 Cb 0.32 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.56 2dkz s LEU 18 CO 0.11 0.36 0.89 -0.44 0.23 0.00 0.00 176.35 177.50 2dkz s SER 19 N -0.77 5.15 0.56 2.29 0.01 -1.26 -0.26 113.70 119.42 2dkz s SER 19 Ca 0.13 0.31 0.26 0.00 1.31 0.00 0.00 55.95 57.97 2dkz s SER 19 Cb -0.12 -1.13 1.50 0.00 0.21 0.00 0.00 66.02 66.47 2dkz s SER 19 CO 0.03 -1.30 2.03 0.40 0.41 0.00 0.00 173.24 174.80 2dkz h ILE 20 N -0.24 0.59 0.00 1.44 2.04 -1.92 0.19 117.51 119.62 2dkz h ILE 20 Ca -0.44 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.24 2dkz h ILE 20 Cb 1.30 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 2dkz h ILE 20 CO 0.57 0.00 -0.91 -0.08 0.00 0.00 0.00 178.15 177.74 2dkz h GLU 21 N 0.00 0.00 0.00 2.37 4.81 -1.93 -3.28 114.58 116.56 2dkz h GLU 21 Ca 0.17 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 2dkz h GLU 21 Cb 0.79 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2dkz h GLU 21 CO -0.00 0.77 -0.86 0.93 -0.73 0.00 0.00 179.01 179.12 2dkz h GLU 22 N 0.00 0.03 -0.55 1.92 4.39 -1.03 -3.22 114.58 116.12 2dkz h GLU 22 Ca -0.03 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2dkz h GLU 22 Cb 1.65 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.29 2dkz h GLU 22 CO 0.10 0.87 0.25 0.28 -1.16 0.00 0.00 179.01 179.35 2dkz h VAL 23 N 0.02 1.19 -0.86 3.13 2.07 -1.30 -1.19 116.25 119.31 2dkz h VAL 23 Ca -0.02 -0.57 0.15 0.00 0.82 0.00 0.00 66.70 67.09 2dkz h VAL 23 Cb 1.51 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 2dkz h VAL 23 CO 0.12 0.23 0.56 0.28 0.02 0.00 0.00 177.57 178.78 2dkz h SER 24 N 0.78 0.56 0.73 0.57 0.02 -1.65 -0.50 113.55 114.06 2dkz h SER 24 Ca 0.19 0.04 -0.19 0.00 -0.84 0.00 0.00 61.79 60.99 2dkz h SER 24 Cb 0.12 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2dkz h SER 24 CO -0.02 0.27 -1.39 0.11 -1.14 0.00 0.00 176.83 174.66 2dkz h LYS 25 N 0.58 0.00 -0.98 3.45 1.57 -1.57 -3.33 116.57 116.29 2dkz h LYS 25 Ca 0.43 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.32 2dkz h LYS 25 Cb 0.82 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.05 2dkz h LYS 25 CO -0.18 0.37 0.62 0.77 -0.57 0.00 0.00 179.45 180.46 2dkz h SER 26 N 0.00 0.92 1.09 0.86 0.02 0.11 -0.18 113.55 116.38 2dkz h SER 26 Ca -0.17 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 2dkz h SER 26 Cb 1.67 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 2dkz h SER 26 CO 0.06 0.53 -0.55 -0.07 -1.14 0.00 0.00 176.83 175.65 2dkz h LEU 27 N 1.01 0.00 -1.92 5.07 3.38 -1.62 -3.16 115.31 118.07 2dkz h LEU 27 Ca 0.46 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.51 2dkz h LEU 27 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2dkz h LEU 27 CO -0.22 0.55 0.23 -0.09 0.09 0.00 0.00 178.44 179.00 2dkz h ARG 28 N 0.00 0.09 -0.33 1.13 2.43 -1.14 -1.13 114.38 115.43 2dkz h ARG 28 Ca -0.01 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2dkz h ARG 28 Cb 1.24 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.70 2dkz h ARG 28 CO 0.07 0.06 -0.13 0.35 -1.51 0.00 0.00 179.97 178.81 2dkz h PHE 29 N 0.09 -0.31 0.00 2.20 3.57 -1.50 -1.93 116.94 119.07 2dkz h PHE 29 Ca 0.15 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.54 2dkz h PHE 29 Cb 0.49 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 2dkz h PHE 29 CO -0.00 -0.20 -0.76 -0.84 -2.23 0.00 0.00 178.31 174.28 2dkz h ILE 30 N -0.07 1.10 -1.70 1.41 3.07 -1.62 -3.49 117.51 116.21 2dkz h ILE 30 Ca 0.17 -2.59 0.00 0.00 1.55 0.00 0.00 64.86 63.99 2dkz h ILE 30 Cb 0.32 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 2dkz h ILE 30 CO -0.38 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 177.96 2dkz n GLY 31 N 1.29 -0.76 3.91 0.16 0.00 -0.49 -5.12 105.19 104.17 2dkz n GLY 31 Ca -0.00 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 2dkz n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkz s LEU 32 N -0.33 2.66 0.43 0.99 1.43 -1.24 -5.03 118.68 117.60 2dkz s LEU 32 Ca 0.00 -1.27 -0.21 0.00 -1.03 0.00 0.00 54.13 51.61 2dkz s LEU 32 Cb 0.00 -1.15 -0.10 0.00 0.03 0.00 0.00 46.19 44.96 2dkz s LEU 32 CO 0.00 -1.13 0.97 -0.55 0.23 0.00 0.00 176.35 175.87 2dkz s SER 33 N -4.29 6.87 0.54 2.29 0.15 -1.26 -4.94 113.70 113.06 2dkz s SER 33 Ca 0.33 1.75 0.21 0.00 0.70 0.00 0.00 55.95 58.94 2dkz s SER 33 Cb -0.02 -2.55 1.39 0.00 -1.71 0.00 0.00 66.02 63.13 2dkz s SER 33 CO 0.21 -0.41 2.11 1.05 1.20 0.00 0.00 173.24 177.39 2dkz h GLU 34 N 1.97 0.00 -0.20 5.44 4.11 -2.00 -1.81 114.58 122.10 2dkz h GLU 34 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 2dkz h GLU 34 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2dkz h GLU 34 CO 0.61 0.00 -0.06 -0.44 0.07 0.00 0.00 179.01 179.19 2dkz h ASP 35 N 0.00 0.41 0.16 3.06 5.19 -1.99 -2.42 116.42 120.83 2dkz h ASP 35 Ca 0.09 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 2dkz h ASP 35 Cb 0.36 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.76 2dkz h ASP 35 CO -0.00 0.70 -0.08 0.58 -3.12 0.00 0.00 179.24 177.32 2dkz h VAL 36 N 0.11 0.85 -0.14 -1.35 2.07 -1.73 0.68 116.25 116.76 2dkz h VAL 36 Ca 0.05 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2dkz h VAL 36 Cb 0.53 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2dkz h VAL 36 CO 0.02 0.01 -0.23 0.40 0.02 0.00 0.00 177.57 177.79 2dkz h ILE 37 N -0.25 0.43 0.00 4.57 2.04 -1.48 -0.57 117.51 122.25 2dkz h ILE 37 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 2dkz h ILE 37 Cb 0.19 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2dkz h ILE 37 CO 0.04 0.00 -0.16 0.28 0.00 0.00 0.00 178.15 178.31 2dkz h SER 38 N -0.29 0.00 0.14 1.72 0.02 -1.35 -1.73 113.55 112.06 2dkz h SER 38 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2dkz h SER 38 Cb 0.45 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2dkz h SER 38 CO -0.30 0.16 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.22 2dkz h PHE 39 N 0.00 0.00 0.09 3.45 0.04 0.78 0.82 116.94 122.13 2dkz h PHE 39 Ca -0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 2dkz h PHE 39 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2dkz h PHE 39 CO 0.00 0.07 -1.46 0.74 -0.60 0.00 0.00 178.31 177.06 2dkz h PHE 40 N 0.00 0.37 0.00 -0.55 -1.00 -0.99 -3.10 116.94 111.67 2dkz h PHE 40 Ca -0.00 -0.27 -0.05 0.00 2.81 0.00 0.00 57.97 60.46 2dkz h PHE 40 Cb 0.15 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 2dkz h PHE 40 CO 0.00 1.57 -0.25 0.28 -1.61 0.00 0.00 178.31 178.31 2dkz h VAL 41 N -0.37 0.98 0.00 -0.55 2.07 -1.22 0.25 116.25 117.41 2dkz h VAL 41 Ca -0.33 -0.90 -0.11 0.00 0.82 0.00 0.00 66.70 66.18 2dkz h VAL 41 Cb 1.72 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2dkz h VAL 41 CO 0.02 0.24 -0.69 0.00 0.02 0.00 0.00 177.57 177.16 2dkz h THR 42 N 0.00 0.74 -0.55 2.57 1.03 -0.98 -3.24 112.91 112.47 2dkz h THR 42 Ca -0.00 -2.10 -0.13 0.00 -0.01 0.00 0.00 66.41 64.17 2dkz h THR 42 Cb 0.49 2.30 -0.08 0.00 -1.07 0.00 0.00 68.15 69.80 2dkz h THR 42 CO 0.03 0.42 0.16 -0.62 -0.01 0.00 0.00 175.52 175.50 2dkz n GLU 43 N -3.14 3.38 -2.25 0.00 -0.58 -0.91 -4.88 120.64 112.28 2dkz n GLU 43 Ca -0.00 -2.41 -0.14 0.00 -0.42 0.00 0.00 57.16 54.18 2dkz n GLU 43 Cb 0.74 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 2dkz n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2dkz n LYS 44 N 0.08 -1.97 -2.60 3.49 4.81 -1.14 -4.90 118.16 115.94 2dkz n LYS 44 Ca 0.30 0.71 -0.43 0.00 -0.87 0.00 0.00 58.31 58.02 2dkz n LYS 44 Cb 1.13 -5.26 -0.02 0.00 0.02 0.00 0.00 35.03 30.89 2dkz n LYS 44 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2dkz s ILE 45 N -2.61 4.59 0.03 3.15 -1.09 0.83 -4.98 121.20 121.12 2dkz s ILE 45 Ca 0.00 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 2dkz s ILE 45 Cb 0.00 -4.22 -0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2dkz s ILE 45 CO 0.00 -0.09 0.00 -0.90 -1.23 0.00 0.00 174.94 172.72 2dkz n ASP 46 N 5.78 1.92 0.45 3.58 5.75 -1.26 -4.38 116.55 128.39 2dkz n ASP 46 Ca 0.11 -1.15 -0.20 0.00 -0.01 0.00 0.00 54.79 53.54 2dkz n ASP 46 Cb 0.47 0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.49 2dkz n ASP 46 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2dkz h GLY 47 N 0.09 -1.24 1.08 6.12 0.00 -0.82 0.16 103.07 108.45 2dkz h GLY 47 Ca -0.03 0.48 0.12 0.00 0.00 0.00 0.00 47.33 47.90 2dkz h GLY 47 CO 0.05 -0.44 0.35 -0.57 0.00 0.00 0.00 176.54 175.92 2dkz h ASN 48 N -1.17 0.00 0.05 0.19 -1.24 -1.58 -1.01 115.58 110.82 2dkz h ASN 48 Ca -0.11 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.76 2dkz h ASN 48 Cb 0.91 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.97 2dkz h ASN 48 CO 0.16 0.00 -0.58 0.25 -1.29 0.00 0.00 177.43 175.97 2dkz h LEU 49 N 0.00 0.42 0.11 0.34 7.12 -1.74 -3.13 115.31 118.42 2dkz h LEU 49 Ca 0.19 -0.85 0.01 0.00 0.13 0.00 0.00 57.88 57.36 2dkz h LEU 49 Cb 0.89 -0.13 -0.02 0.00 -0.53 0.00 0.00 40.66 40.87 2dkz h LEU 49 CO -0.00 1.23 -0.13 0.25 -0.13 0.00 0.00 178.44 179.65 2dkz h LEU 50 N -0.32 -0.36 -2.17 2.25 5.85 0.56 0.95 115.31 122.08 2dkz h LEU 50 Ca -0.09 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2dkz h LEU 50 Cb 1.36 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2dkz h LEU 50 CO 0.11 -0.20 0.22 -0.37 -0.34 0.00 0.00 178.44 177.87 2dkz h VAL 51 N -0.28 0.53 0.00 1.05 -1.51 -1.46 0.81 116.25 115.40 2dkz h VAL 51 Ca 0.01 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.32 2dkz h VAL 51 Cb 0.28 0.83 -0.03 0.00 -2.13 0.00 0.00 31.29 30.24 2dkz h VAL 51 CO -0.06 0.00 -1.09 1.56 -1.23 0.00 0.00 177.57 176.75 2dkz h GLN 52 N 0.00 0.00 -6.79 5.19 4.20 -1.21 -3.46 115.11 113.04 2dkz h GLN 52 Ca 0.11 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.29 2dkz h GLN 52 Cb 0.55 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.40 2dkz h GLN 52 CO -0.00 0.47 0.74 -0.51 -0.67 0.00 0.00 178.83 178.85 2dkz s LEU 53 N -6.15 4.39 0.34 1.46 1.43 0.28 -5.03 118.68 115.40 2dkz s LEU 53 Ca -0.00 2.70 0.09 0.00 -1.03 0.00 0.00 54.13 55.89 2dkz s LEU 53 Cb 0.08 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 2dkz s LEU 53 CO 0.79 -0.68 -0.02 0.42 0.23 0.00 0.00 176.35 177.09 2dkz s THR 54 N -0.32 2.56 0.57 5.49 -4.23 -1.26 -4.98 115.64 113.47 2dkz s THR 54 Ca 0.57 -2.04 0.27 0.00 -1.18 0.00 0.00 61.69 59.30 2dkz s THR 54 Cb -0.42 -2.75 0.35 0.00 1.34 0.00 0.00 72.50 71.02 2dkz s THR 54 CO 0.47 -0.21 2.15 -0.08 -0.54 0.00 0.00 174.62 176.41 2dkz h GLU 55 N 1.87 0.00 0.00 3.99 4.81 -1.96 -0.04 114.58 123.26 2dkz h GLU 55 Ca -0.43 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2dkz h GLU 55 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2dkz h GLU 55 CO 0.67 0.00 -0.00 0.93 -0.73 0.00 0.00 179.01 179.88 2dkz h GLU 56 N 0.00 -0.01 0.00 1.92 3.07 -1.98 -2.63 114.58 114.95 2dkz h GLU 56 Ca 0.05 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.85 2dkz h GLU 56 Cb 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2dkz h GLU 56 CO -0.00 0.51 -0.30 0.82 -1.40 0.00 0.00 179.01 178.64 2dkz h ILE 57 N -0.53 0.79 0.00 3.13 2.04 -1.81 0.24 117.51 121.37 2dkz h ILE 57 Ca -0.00 -1.25 -0.09 0.00 1.00 0.00 0.00 64.86 64.52 2dkz h ILE 57 Cb 0.52 1.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2dkz h ILE 57 CO 0.00 0.29 -0.42 -0.07 0.00 0.00 0.00 178.15 177.95 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -1.00 -0.04 115.31 119.09 2dkz h LEU 58 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2dkz h LEU 58 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 2dkz h LEU 58 CO 0.04 0.42 -2.25 -0.24 0.09 0.00 0.00 178.44 176.50 2dkz n SER 59 N -3.58 0.12 -0.06 -0.43 2.88 -1.00 -0.22 113.62 111.33 2dkz n SER 59 Ca -0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2dkz n SER 59 Cb 0.53 1.27 -0.06 0.00 -0.75 0.00 0.00 64.21 65.21 2dkz n SER 59 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2dkz h GLU 60 N 0.00 0.00 0.00 -1.46 5.08 -0.54 -3.23 114.58 114.43 2dkz h GLU 60 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2dkz h GLU 60 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2dkz h GLU 60 CO 0.02 0.43 0.00 -0.25 -1.00 0.00 0.00 179.01 178.21 2dkz n ASP 61 N -4.68 0.00 -0.22 1.42 8.00 -0.05 -4.40 116.55 116.62 2dkz n ASP 61 Ca -0.06 0.26 0.01 0.00 0.71 0.00 0.00 54.79 55.70 2dkz n ASP 61 Cb 0.24 -0.28 0.12 0.00 -0.02 0.00 0.00 41.12 41.18 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2dkz h PHE 62 N 0.00 0.48 -4.00 1.24 -1.00 -1.59 -3.46 116.94 108.61 2dkz h PHE 62 Ca 0.00 0.03 -0.38 0.00 2.81 0.00 0.00 57.97 60.43 2dkz h PHE 62 Cb 0.00 -0.12 0.05 0.00 3.61 0.00 0.00 35.95 39.49 2dkz h PHE 62 CO 0.00 0.14 -0.56 1.63 -1.61 0.00 0.00 178.31 177.91 2dkz n LYS 63 N -4.95 -4.17 -0.55 1.51 5.02 0.69 -4.95 118.16 110.75 2dkz n LYS 63 Ca 0.10 0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 56.96 2dkz n LYS 63 Cb 0.28 -5.59 0.27 0.00 -0.02 0.00 0.00 35.03 29.98 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2dkz s LEU 64 N -6.18 -0.54 0.64 -0.35 1.43 -1.01 -4.96 118.68 107.70 2dkz s LEU 64 Ca 0.24 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 2dkz s LEU 64 Cb -0.11 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2dkz s LEU 64 CO 0.30 -5.00 1.16 -0.55 0.23 0.00 0.00 176.35 172.49 2dkz s SER 65 N -3.28 5.00 0.57 2.29 0.15 -1.26 -4.74 113.70 112.44 2dkz s SER 65 Ca 0.69 2.22 0.28 0.00 0.70 0.00 0.00 55.95 59.83 2dkz s SER 65 Cb -0.13 -2.58 1.52 0.00 -1.71 0.00 0.00 66.02 63.12 2dkz s SER 65 CO 0.58 -1.71 2.01 0.07 1.20 0.00 0.00 173.24 175.39 2dkz h LYS 66 N 0.36 0.00 0.12 5.44 2.10 -1.99 -0.38 116.57 122.22 2dkz h LYS 66 Ca -0.48 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 57.98 2dkz h LYS 66 Cb 1.27 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.62 2dkz h LYS 66 CO 0.54 0.00 -0.83 -0.07 -2.00 0.00 0.00 179.45 177.09 2dkz h LEU 67 N 0.00 0.41 0.44 7.07 -0.00 -1.99 -3.16 115.31 118.09 2dkz h LEU 67 Ca 0.17 -0.94 -0.02 0.00 -0.00 0.00 0.00 57.88 57.09 2dkz h LEU 67 Cb 0.85 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 2dkz h LEU 67 CO -0.00 1.39 -0.21 1.56 -0.00 0.00 0.00 178.44 181.18 2dkz h GLN 68 N -0.43 -0.57 -0.66 1.13 4.20 -1.59 0.19 115.11 117.38 2dkz h GLN 68 Ca -0.15 0.04 0.17 0.00 0.06 0.00 0.00 58.65 58.77 2dkz h GLN 68 Cb 1.60 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 2dkz h GLN 68 CO 0.12 -0.36 0.46 0.28 -0.67 0.00 0.00 178.83 178.67 2dkz h VAL 69 N -0.64 0.72 0.19 -0.54 2.07 -1.28 0.21 116.25 116.98 2dkz h VAL 69 Ca -0.06 -0.04 -0.31 0.00 0.82 0.00 0.00 66.70 67.11 2dkz h VAL 69 Cb 0.48 0.58 0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2dkz h VAL 69 CO 0.10 0.02 -1.38 0.50 0.02 0.00 0.00 177.57 176.84 2dkz h LYS 70 N 0.13 0.41 -0.14 1.57 3.11 -1.40 -2.93 116.57 117.31 2dkz h LYS 70 Ca 0.32 -0.70 -0.04 0.00 -2.81 0.00 0.00 60.65 57.41 2dkz h LYS 70 Cb 1.09 0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 32.57 2dkz h LYS 70 CO -0.04 1.34 -0.08 -0.22 -2.81 0.00 0.00 179.45 177.64 2dkz h LYS 71 N 0.11 0.30 -0.68 1.90 3.64 0.12 -2.84 116.57 119.12 2dkz h LYS 71 Ca -0.20 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2dkz h LYS 71 Cb 2.08 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.86 2dkz h LYS 71 CO 0.24 0.64 0.43 0.82 -2.27 0.00 0.00 179.45 179.31 2dkz h ILE 72 N -0.04 1.19 -0.41 2.00 2.04 -0.80 -2.41 117.51 119.07 2dkz h ILE 72 Ca 0.03 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.56 2dkz h ILE 72 Cb 0.56 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2dkz h ILE 72 CO 0.02 0.19 0.11 0.24 0.00 0.00 0.00 178.15 178.71 2dkz h MET 73 N 0.93 0.24 0.00 2.37 2.86 -1.50 -0.31 114.93 119.52 2dkz h MET 73 Ca 0.25 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2dkz h MET 73 Cb -0.06 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.54 2dkz h MET 73 CO -0.05 0.16 -0.10 1.96 1.06 0.00 0.00 176.91 179.95 2dkz h GLN 74 N 0.25 0.00 -0.17 1.72 4.20 -1.23 -2.05 115.11 117.82 2dkz h GLN 74 Ca 0.19 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.69 2dkz h GLN 74 Cb 0.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.00 2dkz h GLN 74 CO -0.23 0.10 -0.74 0.35 -0.67 0.00 0.00 178.83 177.64 2dkz h PHE 75 N 0.00 1.05 0.09 2.96 3.57 -0.62 0.09 116.94 124.08 2dkz h PHE 75 Ca -0.00 -0.45 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2dkz h PHE 75 Cb 0.19 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2dkz h PHE 75 CO 0.00 1.28 -0.04 0.82 -2.23 0.00 0.00 178.31 178.14 2dkz h ILE 76 N 0.55 1.09 -0.29 1.41 2.04 -0.64 -3.24 117.51 118.43 2dkz h ILE 76 Ca -0.04 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 2dkz h ILE 76 Cb 1.36 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 2dkz h ILE 76 CO 0.15 0.16 -0.07 0.78 0.00 0.00 0.00 178.15 179.18 2dkz h ASN 77 N -0.42 0.56 -0.18 1.72 2.35 -1.48 -3.48 115.58 114.65 2dkz h ASN 77 Ca -0.01 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 2dkz h ASN 77 Cb 0.36 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2dkz h ASN 77 CO 0.02 0.79 -0.06 0.61 -1.65 0.00 0.00 177.43 177.14 2dkz n GLY 78 N -0.17 0.61 3.70 2.83 0.00 0.02 -4.97 105.19 107.21 2dkz n GLY 78 Ca -0.03 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2dkz n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dkz n SER 79 N 1.45 3.98 -3.33 1.61 7.64 -1.25 -4.96 113.62 118.74 2dkz n SER 79 Ca -0.03 1.02 -0.09 0.00 1.01 0.00 0.00 58.87 60.78 2dkz n SER 79 Cb 0.14 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 61.78 2dkz n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 80 N 1.95 0.46 0.75 0.23 0.00 -1.26 -5.06 107.32 104.38 2dkz s GLY 80 Ca 0.79 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 44.61 2dkz s GLY 80 CO 0.35 -0.41 1.10 2.56 0.00 0.00 0.00 173.10 176.70 2dkz s PRO 81 N -3.02 2.36 -0.22 2.90 0.04 -1.26 -5.03 135.00 130.77 2dkz s PRO 81 Ca 0.18 1.22 -0.11 0.00 0.04 0.00 0.00 61.00 62.33 2dkz s PRO 81 Cb -0.04 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2dkz s PRO 81 CO 0.11 -1.57 0.17 0.45 0.04 0.00 0.00 177.00 176.21 2dkz s SER 82 N -3.21 6.20 0.40 6.66 0.15 -1.26 -4.97 113.70 117.67 2dkz s SER 82 Ca 0.62 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dkz s SER 82 Cb -0.18 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2dkz s SER 82 CO 0.53 0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.83 2dkz n SER 83 N 3.96 -8.42 0.00 5.45 2.88 -1.26 -5.38 113.62 110.86 2dkz n SER 83 Ca -0.15 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2dkz n SER 83 Cb 0.52 -4.42 0.00 0.00 -0.75 0.00 0.00 64.21 59.56 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42