#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 0.90 -3.56 1.61 2.88 -1.26 -5.14 113.62 109.05 2dkz n SER 2 Ca 0.00 0.12 -0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2dkz n SER 2 Cb 0.00 -0.29 -0.02 0.00 -0.75 0.00 0.00 64.21 63.15 2dkz n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkz s SER 3 N -5.72 -0.25 0.00 -3.46 0.15 -1.26 -5.06 113.70 98.09 2dkz s SER 3 Ca -0.02 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2dkz s SER 3 Cb 0.00 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2dkz s SER 3 CO 0.03 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.60 2dkz n GLY 4 N -0.22 0.74 2.00 9.45 0.00 -1.26 -5.07 105.19 110.84 2dkz n GLY 4 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2dkz n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkz n SER 5 N 0.00 -0.08 -4.57 1.61 2.88 -1.26 -5.10 113.62 107.10 2dkz n SER 5 Ca 0.00 0.13 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 2dkz n SER 5 Cb 0.00 0.14 -0.10 0.00 -0.75 0.00 0.00 64.21 63.50 2dkz n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkz s SER 6 N -4.16 4.40 0.18 -3.46 0.15 -1.26 -5.13 113.70 104.42 2dkz s SER 6 Ca 0.00 -0.32 -0.23 0.00 0.70 0.00 0.00 55.95 56.10 2dkz s SER 6 Cb 0.00 -0.88 0.05 0.00 -1.71 0.00 0.00 66.02 63.48 2dkz s SER 6 CO 0.00 0.22 0.77 -0.83 1.20 0.00 0.00 173.24 174.59 2dkz s GLY 7 N -1.90 -0.30 0.11 9.45 0.00 -1.26 -5.14 107.32 108.27 2dkz s GLY 7 Ca 0.19 0.16 -0.31 0.00 0.00 0.00 0.00 44.72 44.76 2dkz s GLY 7 CO 0.11 0.05 1.37 2.56 0.00 0.00 0.00 173.10 177.18 2dkz s PRO 8 N -3.63 4.33 0.52 2.90 0.04 -1.26 -4.99 135.00 132.92 2dkz s PRO 8 Ca 0.08 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.93 2dkz s PRO 8 Cb -0.03 -3.26 -0.06 0.00 0.04 0.00 0.00 34.50 31.19 2dkz s PRO 8 CO -0.01 -0.42 1.29 -0.46 0.04 0.00 0.00 177.00 177.45 2dkz s TRP 9 N 1.11 2.48 0.09 0.56 -0.00 -1.26 -5.04 118.94 116.88 2dkz s TRP 9 Ca 0.64 1.43 -0.08 0.00 -0.00 0.00 0.00 56.10 58.09 2dkz s TRP 9 Cb -0.36 -3.66 -0.01 0.00 -0.00 0.00 0.00 33.47 29.44 2dkz s TRP 9 CO 0.30 -2.44 0.17 -0.65 -0.00 0.00 0.00 176.95 174.33 2dkz s GLN 10 N -2.85 0.85 0.57 5.86 -0.21 -1.26 -5.11 119.66 117.51 2dkz s GLN 10 Ca 0.69 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.87 2dkz s GLN 10 Cb -0.36 0.33 -0.05 0.00 1.00 0.00 0.00 33.01 33.93 2dkz s GLN 10 CO 0.43 -0.26 1.13 -1.25 -2.12 0.00 0.00 175.29 173.21 2dkz s PRO 11 N -3.88 3.25 1.05 2.91 0.04 -1.26 -5.04 135.00 132.07 2dkz s PRO 11 Ca 0.07 1.57 -0.14 0.00 0.04 0.00 0.00 61.00 62.54 2dkz s PRO 11 Cb 0.05 -1.99 0.22 0.00 0.04 0.00 0.00 34.50 32.81 2dkz s PRO 11 CO -0.10 -0.93 1.10 -1.25 0.04 0.00 0.00 177.00 175.86 2dkz s PRO 12 N -3.44 -0.00 -0.02 0.56 0.04 -1.26 -5.00 135.00 125.88 2dkz s PRO 12 Ca 0.72 0.37 -0.05 0.00 0.04 0.00 0.00 61.00 62.08 2dkz s PRO 12 Cb -0.23 -1.70 -0.28 0.00 0.04 0.00 0.00 34.50 32.33 2dkz s PRO 12 CO 0.30 -2.99 0.77 0.00 0.04 0.00 0.00 177.00 175.11 2dkz h ALA 13 N -2.07 0.27 -0.01 8.56 0.00 -2.00 -3.34 119.26 120.67 2dkz h ALA 13 Ca -0.53 -1.15 -0.21 0.00 0.00 0.00 0.00 54.91 53.02 2dkz h ALA 13 Cb 1.33 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2dkz h ALA 13 CO 0.53 1.14 -0.89 0.22 0.00 0.00 0.00 179.25 180.25 2dkz h ASP 14 N 0.08 0.41 -3.05 0.00 3.58 -1.95 -3.47 116.42 112.01 2dkz h ASP 14 Ca -0.28 -0.32 -0.31 0.00 0.42 0.00 0.00 57.03 56.54 2dkz h ASP 14 Cb 2.04 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.93 2dkz h ASP 14 CO 0.16 1.11 -0.37 0.18 -2.88 0.00 0.00 179.24 177.44 2dkz n LEU 15 N -3.72 -1.36 -3.93 2.28 4.77 -1.26 -4.90 117.00 108.88 2dkz n LEU 15 Ca -0.05 0.18 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 2dkz n LEU 15 Cb 0.81 -2.38 -0.12 0.00 -2.33 0.00 0.00 43.42 39.40 2dkz n LEU 15 CO 0.49 -0.30 -0.01 -0.55 -1.33 0.00 0.00 177.39 175.70 2dkz s SER 16 N -2.09 4.92 0.00 -1.43 0.15 -1.26 -3.69 113.70 110.30 2dkz s SER 16 Ca 0.00 -3.74 0.00 0.00 0.70 0.00 0.00 55.95 52.91 2dkz s SER 16 Cb 0.00 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.64 2dkz s SER 16 CO 0.00 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2dkz n GLY 17 N 2.15 0.20 3.67 9.45 0.00 -1.26 -4.81 105.19 114.58 2dkz n GLY 17 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2dkz n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkz n LEU 18 N 0.00 3.39 -4.90 0.99 4.77 -1.26 -4.79 117.00 115.19 2dkz n LEU 18 Ca 0.00 1.12 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 2dkz n LEU 18 Cb 0.00 -1.44 0.06 0.00 -2.33 0.00 0.00 43.42 39.71 2dkz n LEU 18 CO 0.00 -0.86 0.71 -0.44 -1.33 0.00 0.00 177.39 175.47 2dkz s SER 19 N -0.53 5.04 0.58 -1.43 0.01 -1.26 -0.18 113.70 115.93 2dkz s SER 19 Ca 0.60 0.85 0.28 0.00 1.31 0.00 0.00 55.95 58.98 2dkz s SER 19 Cb -0.55 -1.54 1.56 0.00 0.21 0.00 0.00 66.02 65.70 2dkz s SER 19 CO 0.59 -1.54 2.03 0.40 0.41 0.00 0.00 173.24 175.12 2dkz h ILE 20 N -0.72 0.48 0.00 1.44 2.04 -1.93 0.21 117.51 119.02 2dkz h ILE 20 Ca -0.45 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.23 2dkz h ILE 20 Cb 1.29 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2dkz h ILE 20 CO 0.64 0.00 -1.06 -0.33 0.00 0.00 0.00 178.15 177.40 2dkz h GLU 21 N 0.00 0.00 0.00 2.37 3.07 -1.91 -3.30 114.58 114.80 2dkz h GLU 21 Ca 0.14 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 2dkz h GLU 21 Cb 0.75 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 2dkz h GLU 21 CO -0.00 0.59 -0.66 0.93 -1.40 0.00 0.00 179.01 178.47 2dkz h GLU 22 N 0.00 0.00 -0.52 2.33 4.39 -0.96 -3.20 114.58 116.62 2dkz h GLU 22 Ca -0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2dkz h GLU 22 Cb 1.64 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.27 2dkz h GLU 22 CO 0.08 0.66 0.02 0.28 -1.16 0.00 0.00 179.01 178.88 2dkz h VAL 23 N 0.00 1.25 -0.59 3.13 2.07 -1.38 -1.90 116.25 118.82 2dkz h VAL 23 Ca -0.01 -1.03 0.16 0.00 0.82 0.00 0.00 66.70 66.65 2dkz h VAL 23 Cb 1.28 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 2dkz h VAL 23 CO 0.09 0.37 0.42 0.28 0.02 0.00 0.00 177.57 178.74 2dkz h SER 24 N 0.81 0.06 0.55 0.57 0.02 -1.66 0.02 113.55 113.92 2dkz h SER 24 Ca 0.16 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.87 2dkz h SER 24 Cb 0.46 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 2dkz h SER 24 CO 0.02 0.03 -1.62 0.29 -1.14 0.00 0.00 176.83 174.41 2dkz n LYS 25 N -4.39 0.63 -0.17 3.45 5.02 -0.97 -3.80 118.16 117.94 2dkz n LYS 25 Ca 0.11 0.25 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 2dkz n LYS 25 Cb 0.62 -1.79 0.48 0.00 -0.02 0.00 0.00 35.03 34.32 2dkz n LYS 25 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dkz h SER 26 N 0.00 0.44 0.88 4.39 0.02 -0.20 -0.15 113.55 118.93 2dkz h SER 26 Ca -0.24 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.50 2dkz h SER 26 Cb 1.84 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 64.28 2dkz h SER 26 CO 0.06 0.24 -1.16 -0.07 -1.14 0.00 0.00 176.83 174.76 2dkz h LEU 27 N 0.48 0.00 -1.91 5.07 3.38 -1.66 -3.29 115.31 117.38 2dkz h LEU 27 Ca 0.36 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.55 2dkz h LEU 27 Cb 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2dkz h LEU 27 CO -0.12 1.00 0.55 -0.09 0.09 0.00 0.00 178.44 179.86 2dkz h ARG 28 N 0.00 0.07 -0.25 1.13 2.43 -1.12 -0.25 114.38 116.39 2dkz h ARG 28 Ca -0.07 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 2dkz h ARG 28 Cb 1.82 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 31.29 2dkz h ARG 28 CO 0.12 0.05 -0.19 0.35 -1.51 0.00 0.00 179.97 178.79 2dkz h PHE 29 N 0.07 -0.49 0.00 2.20 3.57 -1.60 -2.25 116.94 118.44 2dkz h PHE 29 Ca 0.37 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.74 2dkz h PHE 29 Cb 1.37 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.34 2dkz h PHE 29 CO -0.00 -0.27 -0.91 -0.84 -2.23 0.00 0.00 178.31 174.06 2dkz h ILE 30 N -0.18 1.10 -2.36 1.41 3.07 -1.50 -3.49 117.51 115.55 2dkz h ILE 30 Ca 0.14 -2.64 0.00 0.00 1.55 0.00 0.00 64.86 63.91 2dkz h ILE 30 Cb 0.39 2.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.45 2dkz h ILE 30 CO -0.36 0.63 0.00 0.61 -1.05 0.00 0.00 178.15 177.97 2dkz n GLY 31 N 1.32 -0.67 4.00 0.16 0.00 -0.21 -5.11 105.19 104.69 2dkz n GLY 31 Ca -0.02 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.67 2.99 0.36 0.99 1.43 -1.25 -5.04 118.68 117.49 2dkz s LEU 32 Ca 0.00 -0.96 -0.26 0.00 -1.03 0.00 0.00 54.13 51.88 2dkz s LEU 32 Cb 0.00 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 2dkz s LEU 32 CO 0.00 -1.30 1.14 -0.44 0.23 0.00 0.00 176.35 175.98 2dkz s SER 33 N -4.58 6.77 0.50 2.29 0.01 -1.26 -4.91 113.70 112.53 2dkz s SER 33 Ca 0.55 2.30 0.23 0.00 1.31 0.00 0.00 55.95 60.33 2dkz s SER 33 Cb -0.05 -2.61 1.31 0.00 0.21 0.00 0.00 66.02 64.87 2dkz s SER 33 CO 0.35 -0.50 1.98 1.05 0.41 0.00 0.00 173.24 176.53 2dkz h GLU 34 N 2.96 0.10 0.00 12.44 4.11 -2.00 0.24 114.58 132.43 2dkz h GLU 34 Ca -0.48 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 58.84 2dkz h GLU 34 Cb 1.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2dkz h GLU 34 CO 0.64 0.07 -0.50 -0.44 0.07 0.00 0.00 179.01 178.85 2dkz h ASP 35 N 0.11 0.00 0.01 3.06 3.32 -1.99 -2.86 116.42 118.06 2dkz h ASP 35 Ca 0.27 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.32 2dkz h ASP 35 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2dkz h ASP 35 CO -0.03 0.50 -0.00 0.58 -1.72 0.00 0.00 179.24 178.56 2dkz h VAL 36 N 0.00 1.48 -0.08 -1.35 2.07 -0.90 -2.32 116.25 115.14 2dkz h VAL 36 Ca -0.00 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.06 2dkz h VAL 36 Cb 0.96 2.48 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 2dkz h VAL 36 CO 0.06 0.38 -0.15 0.40 0.02 0.00 0.00 177.57 178.29 2dkz h ILE 37 N -0.65 0.62 0.00 4.57 2.04 -1.47 -1.10 117.51 121.52 2dkz h ILE 37 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2dkz h ILE 37 Cb 0.64 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2dkz h ILE 37 CO 0.00 0.00 -0.10 0.28 0.00 0.00 0.00 178.15 178.33 2dkz h SER 38 N -0.20 0.00 0.27 1.72 0.02 -1.61 -1.38 113.55 112.37 2dkz h SER 38 Ca 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2dkz h SER 38 Cb 0.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2dkz h SER 38 CO -0.20 0.10 -0.08 -0.26 -1.14 0.00 0.00 176.83 175.25 2dkz h PHE 39 N 0.00 0.00 0.10 3.45 0.04 -0.60 0.46 116.94 120.38 2dkz h PHE 39 Ca -0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 2dkz h PHE 39 Cb 0.22 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2dkz h PHE 39 CO 0.00 0.08 -1.85 1.19 -0.60 0.00 0.00 178.31 177.14 2dkz n PHE 40 N -3.67 1.23 0.22 -0.55 3.01 -0.55 -3.33 117.46 113.81 2dkz n PHE 40 Ca -0.02 0.30 0.07 0.00 1.01 0.00 0.00 57.45 58.82 2dkz n PHE 40 Cb 0.19 -1.15 0.49 0.00 -0.01 0.00 0.00 39.48 39.00 2dkz n PHE 40 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2dkz h VAL 41 N -0.15 0.86 0.00 -4.37 2.07 -1.25 0.25 116.25 113.66 2dkz h VAL 41 Ca -0.41 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 65.93 2dkz h VAL 41 Cb 1.89 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2dkz h VAL 41 CO 0.03 0.27 -0.67 0.00 0.02 0.00 0.00 177.57 177.22 2dkz h THR 42 N 0.00 0.73 -0.59 2.57 1.03 -1.06 -3.24 112.91 112.35 2dkz h THR 42 Ca -0.00 -2.08 -0.14 0.00 -0.01 0.00 0.00 66.41 64.17 2dkz h THR 42 Cb 0.62 2.30 -0.09 0.00 -1.07 0.00 0.00 68.15 69.92 2dkz h THR 42 CO 0.04 0.42 0.18 -0.62 -0.01 0.00 0.00 175.52 175.52 2dkz n GLU 43 N -3.14 3.45 -2.18 0.00 -0.58 -0.99 -4.88 120.64 112.33 2dkz n GLU 43 Ca -0.00 -2.53 -0.15 0.00 -0.42 0.00 0.00 57.16 54.06 2dkz n GLU 43 Cb 0.74 -2.07 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.05 -1.89 -2.46 3.49 3.00 -1.17 -4.89 118.16 114.29 2dkz n LYS 44 Ca 0.31 0.75 -0.42 0.00 -0.00 0.00 0.00 58.31 58.95 2dkz n LYS 44 Cb 1.17 -5.29 -0.03 0.00 0.00 0.00 0.00 35.03 30.89 2dkz n LYS 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dkz s ILE 45 N -2.61 4.29 0.11 3.15 -1.09 0.83 -4.98 121.20 120.90 2dkz s ILE 45 Ca 0.00 1.60 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 2dkz s ILE 45 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2dkz s ILE 45 CO 0.00 -0.04 0.00 -0.90 -1.23 0.00 0.00 174.94 172.77 2dkz n ASP 46 N 5.56 2.27 0.30 3.58 5.75 -1.26 -4.47 116.55 128.28 2dkz n ASP 46 Ca 0.12 -1.48 -0.17 0.00 -0.01 0.00 0.00 54.79 53.25 2dkz n ASP 46 Cb 0.46 0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.26 -0.74 1.66 6.12 0.00 -0.76 0.55 103.07 110.15 2dkz h GLY 47 Ca -0.09 0.28 0.05 0.00 0.00 0.00 0.00 47.33 47.56 2dkz h GLY 47 CO 0.15 -0.27 0.13 -0.57 0.00 0.00 0.00 176.54 175.98 2dkz h ASN 48 N -0.75 0.00 -0.04 0.19 -1.24 -1.73 -2.05 115.58 109.96 2dkz h ASN 48 Ca -0.07 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.84 2dkz h ASN 48 Cb 0.56 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.62 2dkz h ASN 48 CO 0.12 0.00 -0.35 0.25 -1.29 0.00 0.00 177.43 176.16 2dkz h LEU 49 N 0.00 0.38 0.02 0.34 7.12 -1.79 -3.04 115.31 118.35 2dkz h LEU 49 Ca 0.08 -0.70 0.03 0.00 0.13 0.00 0.00 57.88 57.42 2dkz h LEU 49 Cb 0.33 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.30 2dkz h LEU 49 CO -0.00 1.02 -0.27 0.25 -0.13 0.00 0.00 178.44 179.31 2dkz h LEU 50 N -0.23 -0.79 -2.24 2.25 5.85 -0.20 0.18 115.31 120.13 2dkz h LEU 50 Ca -0.03 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2dkz h LEU 50 Cb 1.04 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2dkz h LEU 50 CO 0.07 -0.34 0.18 -0.37 -0.34 0.00 0.00 178.44 177.64 2dkz h VAL 51 N -0.42 0.50 0.00 1.05 -1.51 -1.55 0.21 116.25 114.53 2dkz h VAL 51 Ca 0.06 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.31 2dkz h VAL 51 Cb 0.50 0.86 -0.03 0.00 -2.13 0.00 0.00 31.29 30.48 2dkz h VAL 51 CO -0.22 0.00 -1.15 1.56 -1.23 0.00 0.00 177.57 176.54 2dkz h GLN 52 N 0.00 0.00 -7.03 5.19 4.20 -0.92 -3.46 115.11 113.09 2dkz h GLN 52 Ca 0.08 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.24 2dkz h GLN 52 Cb 0.43 0.00 0.13 0.00 0.30 0.00 0.00 27.48 28.33 2dkz h GLN 52 CO -0.00 0.81 0.61 -0.51 -0.67 0.00 0.00 178.83 179.07 2dkz s LEU 53 N -6.50 3.92 0.48 1.46 1.43 0.44 -5.03 118.68 114.88 2dkz s LEU 53 Ca -0.00 2.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.87 2dkz s LEU 53 Cb 0.09 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2dkz s LEU 53 CO 0.81 -1.42 0.01 0.42 0.23 0.00 0.00 176.35 176.40 2dkz s THR 54 N -1.30 1.34 0.17 5.49 -4.23 -1.26 -4.99 115.64 110.85 2dkz s THR 54 Ca 0.68 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 2dkz s THR 54 Cb -0.40 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.18 2dkz s THR 54 CO 0.48 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 176.19 2dkz h GLU 55 N 1.47 0.00 0.02 3.99 4.22 -1.96 -2.34 114.58 119.98 2dkz h GLU 55 Ca -0.44 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 58.73 2dkz h GLU 55 Cb 1.30 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.57 2dkz h GLU 55 CO 0.75 0.41 -1.08 0.93 -2.18 0.00 0.00 179.01 177.84 2dkz h GLU 56 N 0.00 0.69 0.00 1.92 5.08 -1.96 -2.87 114.58 117.44 2dkz h GLU 56 Ca -0.00 -0.77 -0.08 0.00 -1.00 0.00 0.00 59.36 57.51 2dkz h GLU 56 Cb 0.94 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2dkz h GLU 56 CO 0.05 1.34 -0.37 0.82 -1.00 0.00 0.00 179.01 179.85 2dkz h ILE 57 N 0.37 0.84 0.00 3.13 2.04 -1.95 0.24 117.51 122.18 2dkz h ILE 57 Ca -0.14 -1.54 -0.11 0.00 1.00 0.00 0.00 64.86 64.06 2dkz h ILE 57 Cb 1.74 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 39.76 2dkz h ILE 57 CO 0.21 0.36 -0.54 -0.07 0.00 0.00 0.00 178.15 178.11 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -1.43 -1.44 115.31 117.26 2dkz h LEU 58 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2dkz h LEU 58 Cb 0.93 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2dkz h LEU 58 CO 0.05 0.54 -2.10 -0.24 0.09 0.00 0.00 178.44 176.78 2dkz n SER 59 N -3.33 0.17 -0.04 -0.43 2.88 -1.08 -0.59 113.62 111.20 2dkz n SER 59 Ca 0.01 0.08 -0.01 0.00 -1.33 0.00 0.00 58.87 57.61 2dkz n SER 59 Cb 0.70 1.11 -0.00 0.00 -0.75 0.00 0.00 64.21 65.26 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 4.39 -0.58 -3.27 114.58 113.66 2dkz h GLU 60 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2dkz h GLU 60 Cb 1.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 2dkz h GLU 60 CO 0.03 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.41 2dkz n ASP 61 N -3.84 0.00 -0.28 1.42 2.03 -0.58 -4.12 116.55 111.18 2dkz n ASP 61 Ca -0.02 0.45 0.06 0.00 0.52 0.00 0.00 54.79 55.80 2dkz n ASP 61 Cb 0.08 -0.30 0.21 0.00 -0.72 0.00 0.00 41.12 40.39 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2dkz h PHE 62 N 0.00 0.69 -2.16 -0.67 -1.00 -1.58 -3.45 116.94 108.77 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 -0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.32 2dkz h PHE 62 CO 0.04 0.15 -0.44 1.17 -1.61 0.00 0.00 178.31 177.62 2dkz n LYS 63 N -4.91 -1.45 -0.26 1.51 4.81 0.24 -4.96 118.16 113.15 2dkz n LYS 63 Ca 0.16 0.99 -0.31 0.00 -0.87 0.00 0.00 58.31 58.28 2dkz n LYS 63 Cb 0.42 -5.47 0.30 0.00 0.02 0.00 0.00 35.03 30.30 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2dkz s LEU 64 N -5.09 -1.40 0.53 3.14 1.43 -0.85 -4.95 118.68 111.49 2dkz s LEU 64 Ca 0.00 0.90 -0.20 0.00 -1.03 0.00 0.00 54.13 53.80 2dkz s LEU 64 Cb 0.00 -2.28 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 2dkz s LEU 64 CO 0.00 -5.58 1.13 -0.55 0.23 0.00 0.00 176.35 171.58 2dkz s SER 65 N -3.02 5.79 0.46 2.29 0.15 -1.26 -4.78 113.70 113.32 2dkz s SER 65 Ca 0.68 2.19 0.21 0.00 0.70 0.00 0.00 55.95 59.74 2dkz s SER 65 Cb -0.14 -2.58 1.20 0.00 -1.71 0.00 0.00 66.02 62.79 2dkz s SER 65 CO 0.58 -1.17 1.87 0.50 1.20 0.00 0.00 173.24 176.22 2dkz h LYS 66 N 1.31 0.27 -0.11 5.44 3.64 -1.99 0.13 116.57 125.27 2dkz h LYS 66 Ca -0.50 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 2dkz h LYS 66 Cb 1.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2dkz h LYS 66 CO 0.57 0.18 -0.35 1.25 -2.27 0.00 0.00 179.45 178.83 2dkz h LEU 67 N 0.28 0.49 0.40 5.20 7.12 -1.98 -2.84 115.31 123.98 2dkz h LEU 67 Ca 0.44 -0.61 -0.02 0.00 0.13 0.00 0.00 57.88 57.82 2dkz h LEU 67 Cb 1.28 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2dkz h LEU 67 CO -0.12 1.02 -0.19 1.56 -0.13 0.00 0.00 178.44 180.57 2dkz h GLN 68 N -0.01 -0.52 -0.32 1.25 4.20 -1.44 0.62 115.11 118.90 2dkz h GLN 68 Ca -0.01 0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.82 2dkz h GLN 68 Cb 0.98 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 2dkz h GLN 68 CO 0.07 -0.29 0.32 0.28 -0.67 0.00 0.00 178.83 178.54 2dkz h VAL 69 N -0.63 0.48 0.00 -0.54 2.07 -1.15 0.26 116.25 116.73 2dkz h VAL 69 Ca -0.06 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.27 2dkz h VAL 69 Cb 0.46 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2dkz h VAL 69 CO 0.09 0.00 -1.21 0.50 0.02 0.00 0.00 177.57 176.98 2dkz h LYS 70 N 0.00 0.00 0.12 1.57 3.11 -1.17 -3.27 116.57 116.93 2dkz h LYS 70 Ca 0.15 0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.83 2dkz h LYS 70 Cb 0.79 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 32.04 2dkz h LYS 70 CO -0.00 0.53 -0.70 -0.22 -2.81 0.00 0.00 179.45 176.25 2dkz h LYS 71 N 0.00 0.26 0.40 1.90 3.64 0.17 -3.09 116.57 119.84 2dkz h LYS 71 Ca -0.13 -0.44 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 2dkz h LYS 71 Cb 1.68 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 2dkz h LYS 71 CO 0.08 1.21 -0.46 0.82 -2.27 0.00 0.00 179.45 178.83 2dkz h ILE 72 N -0.46 0.09 -0.60 2.00 2.04 -0.80 -1.96 117.51 117.82 2dkz h ILE 72 Ca -0.12 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.85 2dkz h ILE 72 Cb 1.55 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 2dkz h ILE 72 CO 0.13 0.00 0.15 0.24 0.00 0.00 0.00 178.15 178.67 2dkz h MET 73 N -0.89 0.29 -0.57 2.37 2.86 -1.72 0.15 114.93 117.42 2dkz h MET 73 Ca -0.04 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.74 2dkz h MET 73 Cb 0.80 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 2dkz h MET 73 CO -0.10 0.19 0.40 1.96 1.06 0.00 0.00 176.91 180.42 2dkz h GLN 74 N 0.29 0.06 0.08 1.72 4.20 -1.38 0.66 115.11 120.75 2dkz h GLN 74 Ca 0.31 -0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.77 2dkz h GLN 74 Cb 0.45 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2dkz h GLN 74 CO -0.38 0.04 -1.13 0.35 -0.67 0.00 0.00 178.83 177.05 2dkz h PHE 75 N 0.06 0.41 0.55 2.96 3.57 0.03 0.15 116.94 124.67 2dkz h PHE 75 Ca 0.27 -0.28 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2dkz h PHE 75 Cb 1.00 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.72 2dkz h PHE 75 CO -0.00 1.19 -0.27 0.82 -2.23 0.00 0.00 178.31 177.82 2dkz h ILE 76 N 0.09 0.29 -0.12 1.41 2.04 0.04 -3.30 117.51 117.96 2dkz h ILE 76 Ca -0.10 -0.39 -0.23 0.00 1.00 0.00 0.00 64.86 65.15 2dkz h ILE 76 Cb 1.84 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 38.33 2dkz h ILE 76 CO 0.18 0.04 -0.82 0.78 0.00 0.00 0.00 178.15 178.33 2dkz h ASN 77 N -1.04 0.87 -5.66 1.72 2.35 -1.44 -3.49 115.58 108.89 2dkz h ASN 77 Ca -0.08 -0.59 -0.30 0.00 -0.55 0.00 0.00 56.30 54.78 2dkz h ASN 77 Cb 0.64 -0.26 0.17 0.00 0.05 0.00 0.00 38.32 38.92 2dkz h ASN 77 CO 0.12 1.38 -0.87 0.61 -1.65 0.00 0.00 177.43 177.03 2dkz n GLY 78 N 0.75 -1.04 3.57 2.83 0.00 0.04 -5.01 105.19 106.33 2dkz n GLY 78 Ca -0.08 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2dkz n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkz s SER 79 N -3.51 4.54 -0.42 1.61 0.01 -1.26 -5.06 113.70 109.62 2dkz s SER 79 Ca 0.42 -0.11 0.08 0.00 1.31 0.00 0.00 55.95 57.64 2dkz s SER 79 Cb -0.08 -1.07 0.26 0.00 0.21 0.00 0.00 66.02 65.34 2dkz s SER 79 CO 0.77 0.32 0.67 0.61 0.41 0.00 0.00 173.24 176.02 2dkz n GLY 80 N 1.89 2.13 3.55 3.44 0.00 -1.26 -5.09 105.19 109.86 2dkz n GLY 80 Ca -0.17 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 2dkz n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkz s PRO 81 N -0.79 2.62 0.00 1.61 0.04 -1.26 -4.95 135.00 132.28 2dkz s PRO 81 Ca 0.34 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.92 2dkz s PRO 81 Cb 0.21 -4.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.31 2dkz s PRO 81 CO -0.14 -2.78 0.02 -1.54 0.04 0.00 0.00 177.00 172.60 2dkz s SER 82 N 8.09 0.09 -1.28 6.66 1.04 -1.26 -5.08 113.70 121.96 2dkz s SER 82 Ca 0.67 -0.20 -0.16 0.00 0.48 0.00 0.00 55.95 56.75 2dkz s SER 82 Cb -0.12 0.10 0.10 0.00 0.10 0.00 0.00 66.02 66.20 2dkz s SER 82 CO 0.19 -0.17 1.69 -0.24 0.98 0.00 0.00 173.24 175.69 2dkz n SER 83 N 2.28 4.96 0.00 7.02 2.88 -1.26 -5.34 113.62 124.16 2dkz n SER 83 Ca -0.18 -2.94 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 2dkz n SER 83 Cb 0.57 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42