#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz h SER 2 N 0.00 0.31 -5.89 1.61 4.64 -2.02 -3.44 113.55 108.76 2dkz h SER 2 Ca 0.00 -0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.91 2dkz h SER 2 Cb 0.00 -0.08 0.11 0.00 -0.31 0.00 0.00 62.40 62.12 2dkz h SER 2 CO 0.00 0.28 -0.76 -1.20 -0.87 0.00 0.00 176.83 174.28 2dkz n SER 3 N -4.44 -3.17 -4.57 4.97 7.64 -1.26 -4.84 113.62 107.95 2dkz n SER 3 Ca 0.01 -0.67 -0.28 0.00 1.01 0.00 0.00 58.87 58.93 2dkz n SER 3 Cb 0.12 -4.68 -0.05 0.00 -1.01 0.00 0.00 64.21 58.59 2dkz n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 4 N -3.99 0.25 0.10 0.23 0.00 -1.26 -4.93 107.32 97.72 2dkz s GLY 4 Ca 0.22 -1.78 0.06 0.00 0.00 0.00 0.00 44.72 43.22 2dkz s GLY 4 CO 0.76 3.46 -0.07 -0.56 0.00 0.00 0.00 173.10 176.69 2dkz s SER 5 N 7.32 4.57 -0.27 1.64 0.01 -1.26 -5.11 113.70 120.60 2dkz s SER 5 Ca 0.68 -0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.60 2dkz s SER 5 Cb -0.04 -0.94 0.12 0.00 0.21 0.00 0.00 66.02 65.37 2dkz s SER 5 CO 0.04 0.18 0.27 -0.44 0.41 0.00 0.00 173.24 173.70 2dkz s SER 6 N -2.20 1.64 0.00 2.44 0.01 -1.26 -5.02 113.70 109.31 2dkz s SER 6 Ca 0.22 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2dkz s SER 6 Cb -0.11 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dkz s SER 6 CO 0.15 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 174.03 2dkz n GLY 7 N 5.31 -1.69 3.77 3.44 0.00 -1.26 -5.14 105.19 109.62 2dkz n GLY 7 Ca -0.03 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.54 2.78 0.26 1.61 0.04 -1.26 -5.02 135.00 132.88 2dkz s PRO 8 Ca 0.00 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.20 2dkz s PRO 8 Cb 0.00 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2dkz s PRO 8 CO 0.00 -1.26 0.81 -0.46 0.04 0.00 0.00 177.00 176.13 2dkz s TRP 9 N -2.35 3.66 0.08 0.56 -0.00 -1.26 -5.08 118.94 114.55 2dkz s TRP 9 Ca 0.67 1.55 -0.05 0.00 -0.00 0.00 0.00 56.10 58.27 2dkz s TRP 9 Cb -0.20 -2.74 -0.02 0.00 -0.00 0.00 0.00 33.47 30.50 2dkz s TRP 9 CO 0.42 0.28 0.08 -0.65 -0.00 0.00 0.00 176.95 177.09 2dkz s GLN 10 N -2.01 0.76 0.56 5.86 -0.21 -1.26 -5.08 119.66 118.28 2dkz s GLN 10 Ca 0.46 -1.12 -0.19 0.00 0.02 0.00 0.00 55.36 54.53 2dkz s GLN 10 Cb -0.17 0.28 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 2dkz s GLN 10 CO 0.22 -0.20 1.13 -1.25 -2.12 0.00 0.00 175.29 173.06 2dkz s PRO 11 N -3.91 3.25 1.24 2.91 0.04 -1.26 -5.04 135.00 132.23 2dkz s PRO 11 Ca 0.08 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 2dkz s PRO 11 Cb 0.06 -2.00 0.31 0.00 0.04 0.00 0.00 34.50 32.92 2dkz s PRO 11 CO -0.09 -0.92 1.10 -0.35 0.04 0.00 0.00 177.00 176.78 2dkz n PRO 12 N -1.51 -3.17 -0.98 0.56 -0.04 -1.26 -4.95 135.00 123.65 2dkz n PRO 12 Ca 0.11 -1.76 -0.09 0.00 -0.04 0.00 0.00 63.50 61.72 2dkz n PRO 12 Cb 0.51 -1.65 0.25 0.00 -0.04 0.00 0.00 33.50 32.58 2dkz n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkz n ALA 13 N -4.89 4.63 0.00 0.55 0.00 -1.26 -4.27 120.51 115.27 2dkz n ALA 13 Ca -0.21 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.00 2dkz n ALA 13 Cb 0.59 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2dkz n ALA 13 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2dkz n ASP 14 N -0.30 0.95 -2.27 0.00 9.92 -1.26 -5.03 116.55 118.57 2dkz n ASP 14 Ca 0.41 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.49 2dkz n ASP 14 Cb 1.37 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 41.83 2dkz n ASP 14 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2dkz n LEU 15 N -1.91 -1.66 -0.05 0.64 4.77 -1.26 -4.82 117.00 112.70 2dkz n LEU 15 Ca 0.00 0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2dkz n LEU 15 Cb 0.14 -2.70 -0.08 0.00 -2.33 0.00 0.00 43.42 38.45 2dkz n LEU 15 CO 0.00 -0.32 -0.84 -1.20 -1.33 0.00 0.00 177.39 173.70 2dkz n SER 16 N -1.82 2.63 -1.70 -1.43 7.64 -1.26 -3.46 113.62 114.22 2dkz n SER 16 Ca -0.21 -0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.60 2dkz n SER 16 Cb 0.66 0.59 0.22 0.00 -1.01 0.00 0.00 64.21 64.67 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 2.47 3.15 3.87 0.23 0.00 -1.26 -2.81 105.19 110.84 2dkz n GLY 17 Ca -0.17 -0.73 -0.34 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 -2.21 4.27 0.60 0.99 1.43 -1.26 -5.01 118.68 117.49 2dkz s LEU 18 Ca 0.41 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 2dkz s LEU 18 Cb 0.33 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 44.21 2dkz s LEU 18 CO 0.10 0.30 0.84 -0.94 0.23 0.00 0.00 176.35 176.88 2dkz s SER 19 N -1.68 4.94 0.25 2.29 1.04 -1.26 -0.62 113.70 118.66 2dkz s SER 19 Ca 0.24 -0.34 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 2dkz s SER 19 Cb -0.12 -0.32 0.42 0.00 0.10 0.00 0.00 66.02 66.10 2dkz s SER 19 CO 0.14 -1.40 1.83 0.40 0.98 0.00 0.00 173.24 175.19 2dkz h ILE 20 N -0.07 0.94 0.00 -1.02 2.04 -1.92 0.59 117.51 118.07 2dkz h ILE 20 Ca -0.37 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 2dkz h ILE 20 Cb 1.28 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 2dkz h ILE 20 CO 0.45 0.16 -0.28 -0.33 0.00 0.00 0.00 178.15 178.15 2dkz h GLU 21 N 0.89 0.00 0.03 2.37 4.39 -1.94 -2.92 114.58 117.39 2dkz h GLU 21 Ca 0.42 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.86 2dkz h GLU 21 Cb 0.35 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2dkz h GLU 21 CO -0.23 0.28 -1.01 0.93 -1.16 0.00 0.00 179.01 177.81 2dkz h GLU 22 N 0.00 0.64 -0.77 2.33 4.39 -1.32 -3.25 114.58 116.60 2dkz h GLU 22 Ca -0.00 -0.72 0.10 0.00 0.34 0.00 0.00 59.36 59.08 2dkz h GLU 22 Cb 0.59 0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.40 2dkz h GLU 22 CO 0.04 1.30 0.51 0.28 -1.16 0.00 0.00 179.01 179.98 2dkz h VAL 23 N 0.28 0.93 -0.32 3.13 2.07 -0.95 0.48 116.25 121.86 2dkz h VAL 23 Ca -0.13 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.25 2dkz h VAL 23 Cb 1.68 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2dkz h VAL 23 CO 0.20 0.12 0.28 0.28 0.02 0.00 0.00 177.57 178.47 2dkz h SER 24 N 0.67 0.00 0.18 0.57 0.02 -1.57 -1.14 113.55 112.28 2dkz h SER 24 Ca 0.36 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.98 2dkz h SER 24 Cb 0.49 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 2dkz h SER 24 CO -0.13 0.00 -2.14 0.29 -1.14 0.00 0.00 176.83 173.71 2dkz n LYS 25 N -4.08 0.67 -0.26 3.45 5.02 0.03 -4.11 118.16 118.88 2dkz n LYS 25 Ca 0.05 0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.47 2dkz n LYS 25 Cb 0.44 -1.62 0.17 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.42 0.42 4.39 0.02 0.09 0.15 113.55 119.04 2dkz h SER 26 Ca -0.45 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.47 2dkz h SER 26 Cb 2.14 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 64.68 2dkz h SER 26 CO 0.05 0.21 -0.51 -0.07 -1.14 0.00 0.00 176.83 175.36 2dkz h LEU 27 N 0.56 0.12 -2.01 5.07 3.38 -1.69 -2.91 115.31 117.84 2dkz h LEU 27 Ca 0.40 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.46 2dkz h LEU 27 Cb 0.52 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2dkz h LEU 27 CO -0.33 0.62 0.42 -0.09 0.09 0.00 0.00 178.44 179.15 2dkz h ARG 28 N 0.09 0.00 -0.47 1.13 1.12 -1.11 -0.12 114.38 115.02 2dkz h ARG 28 Ca 0.00 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 58.93 2dkz h ARG 28 Cb 0.94 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.85 2dkz h ARG 28 CO 0.07 0.00 0.18 0.35 -3.11 0.00 0.00 179.97 177.46 2dkz h PHE 29 N 0.00 0.31 0.00 2.20 3.57 -1.42 -2.55 116.94 119.05 2dkz h PHE 29 Ca 0.25 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.60 2dkz h PHE 29 Cb 1.10 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 2dkz h PHE 29 CO 0.00 0.11 -1.18 -0.84 -2.23 0.00 0.00 178.31 174.17 2dkz h ILE 30 N 0.36 0.76 -2.32 1.41 3.07 -1.39 -3.50 117.51 115.90 2dkz h ILE 30 Ca 0.22 -2.29 0.00 0.00 1.55 0.00 0.00 64.86 64.35 2dkz h ILE 30 Cb 0.22 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.03 2dkz h ILE 30 CO -0.22 0.43 0.00 0.61 -1.05 0.00 0.00 178.15 177.92 2dkz n GLY 31 N 1.37 -1.13 3.94 0.16 0.00 -0.19 -5.12 105.19 104.22 2dkz n GLY 31 Ca -0.07 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.46 2.71 0.33 0.99 1.43 -1.25 -5.04 118.68 117.39 2dkz s LEU 32 Ca 0.00 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.61 2dkz s LEU 32 Cb 0.00 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 2dkz s LEU 32 CO 0.00 -1.23 1.19 -0.44 0.23 0.00 0.00 176.35 176.10 2dkz s SER 33 N -4.40 6.88 0.55 2.29 0.01 -1.26 -4.90 113.70 112.86 2dkz s SER 33 Ca 0.39 2.42 0.26 0.00 1.31 0.00 0.00 55.95 60.34 2dkz s SER 33 Cb -0.03 -2.63 1.44 0.00 0.21 0.00 0.00 66.02 65.01 2dkz s SER 33 CO 0.25 -0.43 1.99 -0.33 0.41 0.00 0.00 173.24 175.12 2dkz h GLU 34 N 3.30 0.00 -0.08 12.44 5.08 -2.01 0.41 114.58 133.73 2dkz h GLU 34 Ca -0.48 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.65 2dkz h GLU 34 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 2dkz h GLU 34 CO 0.65 0.00 -0.86 -0.44 -1.00 0.00 0.00 179.01 177.36 2dkz h ASP 35 N 0.00 0.78 -0.11 1.42 3.32 -1.99 -3.07 116.42 116.76 2dkz h ASP 35 Ca 0.23 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 2dkz h ASP 35 Cb 0.99 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 2dkz h ASP 35 CO -0.00 1.34 0.06 0.58 -1.72 0.00 0.00 179.24 179.50 2dkz h VAL 36 N 0.41 1.09 0.13 -1.35 2.07 -1.30 -0.60 116.25 116.70 2dkz h VAL 36 Ca -0.07 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2dkz h VAL 36 Cb 1.48 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2dkz h VAL 36 CO 0.16 0.08 -0.29 0.40 0.02 0.00 0.00 177.57 177.95 2dkz h ILE 37 N 0.08 0.37 0.00 4.57 2.04 -1.52 -1.37 117.51 121.68 2dkz h ILE 37 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2dkz h ILE 37 Cb 0.08 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2dkz h ILE 37 CO -0.01 0.00 -0.03 -1.28 0.00 0.00 0.00 178.15 176.83 2dkz h SER 38 N -0.52 0.00 0.10 1.72 0.87 -1.48 -0.95 113.55 113.29 2dkz h SER 38 Ca 0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2dkz h SER 38 Cb 0.54 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dkz h SER 38 CO -0.16 0.03 -0.05 -0.26 -0.53 0.00 0.00 176.83 175.86 2dkz h PHE 39 N 0.00 0.00 0.11 2.24 0.04 0.06 0.83 116.94 120.21 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 0.06 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 2dkz h PHE 39 CO 0.00 0.05 -1.47 0.74 -0.60 0.00 0.00 178.31 177.03 2dkz h PHE 40 N 0.00 0.41 -0.05 -0.55 -1.00 -0.97 -3.15 116.94 111.62 2dkz h PHE 40 Ca -0.00 -0.30 -0.06 0.00 2.81 0.00 0.00 57.97 60.42 2dkz h PHE 40 Cb 0.11 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2dkz h PHE 40 CO 0.00 1.57 -0.27 0.28 -1.61 0.00 0.00 178.31 178.28 2dkz h VAL 41 N -0.32 1.22 0.00 -0.55 2.07 -1.23 0.24 116.25 117.68 2dkz h VAL 41 Ca -0.32 -1.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 2dkz h VAL 41 Cb 1.75 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2dkz h VAL 41 CO 0.04 0.30 -0.46 0.00 0.02 0.00 0.00 177.57 177.47 2dkz h THR 42 N 0.07 0.83 -0.55 2.57 1.03 -0.98 -3.14 112.91 112.74 2dkz h THR 42 Ca 0.01 -2.01 -0.13 0.00 -0.01 0.00 0.00 66.41 64.27 2dkz h THR 42 Cb 0.53 2.29 -0.08 0.00 -1.07 0.00 0.00 68.15 69.82 2dkz h THR 42 CO 0.04 0.45 0.17 -0.62 -0.01 0.00 0.00 175.52 175.54 2dkz n GLU 43 N -3.28 3.38 -2.25 0.00 -0.58 -0.91 -4.88 120.64 112.13 2dkz n GLU 43 Ca 0.02 -2.42 -0.14 0.00 -0.42 0.00 0.00 57.16 54.20 2dkz n GLU 43 Cb 0.67 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.96 -2.57 3.49 4.81 -1.15 -4.90 118.16 115.95 2dkz n LYS 44 Ca 0.30 0.72 -0.42 0.00 -0.87 0.00 0.00 58.31 58.03 2dkz n LYS 44 Cb 1.13 -5.27 -0.03 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 -2.62 4.52 0.22 3.15 -1.09 0.81 -4.99 121.20 121.19 2dkz s ILE 45 Ca 0.00 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.24 2dkz s ILE 45 Cb 0.00 -4.17 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2dkz s ILE 45 CO 0.00 -0.02 0.02 -0.90 -1.23 0.00 0.00 174.94 172.81 2dkz n ASP 46 N 5.26 2.27 0.36 3.58 5.68 -1.26 -4.40 116.55 128.05 2dkz n ASP 46 Ca 0.10 -2.00 -0.19 0.00 -0.50 0.00 0.00 54.79 52.21 2dkz n ASP 46 Cb 0.47 0.23 -0.10 0.00 -1.14 0.00 0.00 41.12 40.59 2dkz n ASP 46 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dkz h GLY 47 N 0.59 -1.25 0.96 6.12 0.00 -1.04 0.25 103.07 108.70 2dkz h GLY 47 Ca -0.18 0.54 0.14 0.00 0.00 0.00 0.00 47.33 47.84 2dkz h GLY 47 CO 0.29 -0.41 0.38 -0.57 0.00 0.00 0.00 176.54 176.24 2dkz h ASN 48 N -1.08 0.00 0.06 0.19 -1.24 -1.55 -0.39 115.58 111.57 2dkz h ASN 48 Ca -0.08 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.68 2dkz h ASN 48 Cb 0.90 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.97 2dkz h ASN 48 CO 0.03 0.00 -0.99 0.25 -1.29 0.00 0.00 177.43 175.43 2dkz h LEU 49 N 0.00 0.77 -0.05 0.34 7.12 -1.69 -3.00 115.31 118.80 2dkz h LEU 49 Ca 0.23 -0.79 -0.00 0.00 0.13 0.00 0.00 57.88 57.45 2dkz h LEU 49 Cb 1.00 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 40.88 2dkz h LEU 49 CO -0.00 1.48 0.03 0.25 -0.13 0.00 0.00 178.44 180.07 2dkz h LEU 50 N 0.16 0.07 -2.25 2.25 5.85 0.11 0.16 115.31 121.66 2dkz h LEU 50 Ca -0.14 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2dkz h LEU 50 Cb 1.68 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 2dkz h LEU 50 CO 0.19 0.10 -0.05 -0.37 -0.34 0.00 0.00 178.44 177.97 2dkz h VAL 51 N 0.03 0.57 0.01 1.05 -1.51 -1.42 -1.78 116.25 113.20 2dkz h VAL 51 Ca 0.02 -0.20 -0.26 0.00 -1.23 0.00 0.00 66.70 65.04 2dkz h VAL 51 Cb 0.04 1.12 -0.04 0.00 -2.13 0.00 0.00 31.29 30.29 2dkz h VAL 51 CO -0.00 0.05 -1.37 1.56 -1.23 0.00 0.00 177.57 176.57 2dkz h GLN 52 N 0.00 0.03 -6.75 5.19 4.20 -1.22 -3.47 115.11 113.09 2dkz h GLN 52 Ca -0.00 -0.05 -0.57 0.00 0.06 0.00 0.00 58.65 58.09 2dkz h GLN 52 Cb 0.12 0.02 0.12 0.00 0.30 0.00 0.00 27.48 28.03 2dkz h GLN 52 CO 0.01 0.79 0.46 1.28 -0.67 0.00 0.00 178.83 180.70 2dkz n LEU 53 N -3.23 3.54 0.00 1.46 4.77 0.50 -5.01 117.00 119.03 2dkz n LEU 53 Ca -0.09 1.17 -0.10 0.00 -0.03 0.00 0.00 56.01 56.95 2dkz n LEU 53 Cb 1.00 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.63 2dkz n LEU 53 CO 0.46 -0.64 0.09 0.35 -1.33 0.00 0.00 177.39 176.33 2dkz n THR 54 N 0.13 0.00 -0.00 -5.08 -2.24 -1.26 -5.00 114.28 100.83 2dkz n THR 54 Ca 0.06 -0.93 -0.14 0.00 -2.27 0.00 0.00 64.05 60.77 2dkz n THR 54 Cb 0.37 -0.51 -0.14 0.00 -2.10 0.00 0.00 70.33 67.95 2dkz n THR 54 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2dkz h GLU 55 N 0.00 0.11 -0.05 -0.78 4.81 -1.95 -3.18 114.58 113.54 2dkz h GLU 55 Ca -0.14 -0.20 -0.11 0.00 -0.13 0.00 0.00 59.36 58.78 2dkz h GLU 55 Cb 0.57 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2dkz h GLU 55 CO 0.21 0.81 -0.49 0.93 -0.73 0.00 0.00 179.01 179.75 2dkz h GLU 56 N 0.03 0.13 0.00 1.92 5.08 -1.98 -2.96 114.58 116.80 2dkz h GLU 56 Ca -0.32 -0.07 -0.20 0.00 -1.00 0.00 0.00 59.36 57.77 2dkz h GLU 56 Cb 2.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.24 2dkz h GLU 56 CO 0.09 0.59 -0.96 0.82 -1.00 0.00 0.00 179.01 178.56 2dkz h ILE 57 N 0.10 1.69 0.00 3.13 2.04 -1.98 -0.72 117.51 121.77 2dkz h ILE 57 Ca 0.00 -3.28 -0.04 0.00 1.00 0.00 0.00 64.86 62.54 2dkz h ILE 57 Cb 0.90 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.75 2dkz h ILE 57 CO 0.07 0.94 -0.20 -0.07 0.00 0.00 0.00 178.15 178.89 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -1.50 0.53 115.31 119.16 2dkz h LEU 58 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2dkz h LEU 58 Cb 1.69 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.40 2dkz h LEU 58 CO 0.12 0.20 -2.16 -0.24 0.09 0.00 0.00 178.44 176.46 2dkz n SER 59 N -3.79 0.38 -0.01 -0.43 2.88 -1.17 -0.17 113.62 111.30 2dkz n SER 59 Ca -0.02 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2dkz n SER 59 Cb 0.30 1.29 -0.01 0.00 -0.75 0.00 0.00 64.21 65.05 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 -0.08 0.00 -1.46 4.39 -0.95 -3.23 114.58 113.25 2dkz h GLU 60 Ca -0.33 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2dkz h GLU 60 Cb 1.73 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2dkz h GLU 60 CO 0.02 -0.05 0.00 -0.25 -1.16 0.00 0.00 179.01 177.57 2dkz n ASP 61 N -4.72 0.00 -0.23 1.42 8.00 0.16 -4.36 116.55 116.83 2dkz n ASP 61 Ca -0.01 0.28 0.02 0.00 0.71 0.00 0.00 54.79 55.79 2dkz n ASP 61 Cb 0.03 -0.28 0.14 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.42 -4.42 1.24 -1.00 -1.62 -3.46 116.94 108.09 2dkz h PHE 62 Ca 0.00 0.03 -0.38 0.00 2.81 0.00 0.00 57.97 60.44 2dkz h PHE 62 Cb 0.00 -0.08 0.07 0.00 3.61 0.00 0.00 35.95 39.55 2dkz h PHE 62 CO 0.00 0.07 -0.58 1.63 -1.61 0.00 0.00 178.31 177.82 2dkz n LYS 63 N -5.02 -5.10 -0.62 1.51 5.02 0.76 -4.95 118.16 109.76 2dkz n LYS 63 Ca 0.11 0.84 -0.30 0.00 -2.02 0.00 0.00 58.31 56.94 2dkz n LYS 63 Cb 0.34 -5.60 0.27 0.00 -0.02 0.00 0.00 35.03 30.02 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 -6.36 -0.43 0.58 -0.35 1.43 -0.83 -4.95 118.68 107.77 2dkz s LEU 64 Ca 0.33 0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 2dkz s LEU 64 Cb -0.15 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2dkz s LEU 64 CO 0.41 -4.92 1.16 -0.55 0.23 0.00 0.00 176.35 172.67 2dkz s SER 65 N -3.38 5.39 0.51 2.29 0.15 -1.26 -4.76 113.70 112.65 2dkz s SER 65 Ca 0.69 2.23 0.26 0.00 0.70 0.00 0.00 55.95 59.83 2dkz s SER 65 Cb -0.12 -2.58 1.36 0.00 -1.71 0.00 0.00 66.02 62.97 2dkz s SER 65 CO 0.58 -1.45 1.94 0.07 1.20 0.00 0.00 173.24 175.57 2dkz h LYS 66 N 0.87 0.08 0.09 5.44 2.10 -1.99 0.16 116.57 123.32 2dkz h LYS 66 Ca -0.50 -0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 57.94 2dkz h LYS 66 Cb 1.27 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 32.61 2dkz h LYS 66 CO 0.56 0.05 -0.87 -0.07 -2.00 0.00 0.00 179.45 177.12 2dkz h LEU 67 N 0.08 0.62 0.07 7.07 -0.00 -1.99 -3.05 115.31 118.11 2dkz h LEU 67 Ca 0.35 -0.85 -0.00 0.00 -0.00 0.00 0.00 57.88 57.38 2dkz h LEU 67 Cb 1.27 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 2dkz h LEU 67 CO -0.03 1.40 -0.03 1.56 -0.00 0.00 0.00 178.44 181.34 2dkz h GLN 68 N -0.08 -0.08 -0.04 1.13 4.20 -1.47 0.17 115.11 118.93 2dkz h GLN 68 Ca -0.13 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.59 2dkz h GLN 68 Cb 1.61 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.41 2dkz h GLN 68 CO 0.17 0.02 0.05 0.28 -0.67 0.00 0.00 178.83 178.67 2dkz h VAL 69 N -0.17 0.56 0.07 -0.54 2.07 -1.16 0.22 116.25 117.28 2dkz h VAL 69 Ca -0.01 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 2dkz h VAL 69 Cb 0.14 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2dkz h VAL 69 CO 0.01 0.00 -1.50 0.50 0.02 0.00 0.00 177.57 176.60 2dkz h LYS 70 N 0.00 0.14 0.05 1.57 3.64 -1.29 -3.16 116.57 117.52 2dkz h LYS 70 Ca 0.02 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2dkz h LYS 70 Cb 0.11 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2dkz h LYS 70 CO -0.00 0.94 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.88 2dkz h LYS 71 N 0.04 -0.07 -0.74 1.90 3.64 0.46 -3.18 116.57 118.62 2dkz h LYS 71 Ca -0.22 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.26 2dkz h LYS 71 Cb 1.97 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 33.73 2dkz h LYS 71 CO 0.13 0.55 0.38 0.82 -2.27 0.00 0.00 179.45 179.06 2dkz h ILE 72 N -0.87 0.85 0.07 2.00 2.04 -0.80 -2.37 117.51 118.43 2dkz h ILE 72 Ca -0.01 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.66 2dkz h ILE 72 Cb 0.65 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2dkz h ILE 72 CO 0.01 0.12 -0.40 0.24 0.00 0.00 0.00 178.15 178.12 2dkz h MET 73 N 0.63 -0.58 -0.86 2.37 2.86 -1.65 -0.84 114.93 116.87 2dkz h MET 73 Ca 0.36 0.04 0.18 0.00 -2.06 0.00 0.00 59.70 58.22 2dkz h MET 73 Cb 0.38 0.13 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 2dkz h MET 73 CO -0.27 -0.39 0.57 1.96 1.06 0.00 0.00 176.91 179.84 2dkz h GLN 74 N -0.60 0.46 -0.40 1.72 4.20 -1.44 0.15 115.11 119.19 2dkz h GLN 74 Ca 0.03 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2dkz h GLN 74 Cb 0.65 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2dkz h GLN 74 CO -0.26 0.30 0.02 0.35 -0.67 0.00 0.00 178.83 178.57 2dkz h PHE 75 N 0.47 0.66 0.29 2.96 3.57 -0.69 0.21 116.94 124.42 2dkz h PHE 75 Ca 0.44 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 2dkz h PHE 75 Cb 0.98 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2dkz h PHE 75 CO -0.00 0.62 -0.14 0.82 -2.23 0.00 0.00 178.31 177.38 2dkz h ILE 76 N 0.60 0.50 -0.65 1.41 2.04 0.09 -3.28 117.51 118.22 2dkz h ILE 76 Ca 0.13 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 2dkz h ILE 76 Cb 0.35 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2dkz h ILE 76 CO 0.01 0.12 0.35 0.78 0.00 0.00 0.00 178.15 179.41 2dkz h ASN 77 N -0.95 0.80 0.00 1.72 -0.26 -1.37 -3.47 115.58 112.05 2dkz h ASN 77 Ca -0.04 -0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.64 2dkz h ASN 77 Cb 0.50 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 2dkz h ASN 77 CO 0.07 0.65 0.00 0.61 -1.06 0.00 0.00 177.43 177.70 2dkz n GLY 78 N -1.23 1.17 3.59 2.83 0.00 0.70 -5.04 105.19 107.22 2dkz n GLY 78 Ca 0.06 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 2dkz n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkz s SER 79 N -2.41 6.58 -0.48 1.61 1.04 -1.01 -4.91 113.70 114.12 2dkz s SER 79 Ca 0.00 0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.81 2dkz s SER 79 Cb 0.00 -2.50 0.22 0.00 0.10 0.00 0.00 66.02 63.84 2dkz s SER 79 CO 0.00 -1.11 0.85 0.61 0.98 0.00 0.00 173.24 174.57 2dkz n GLY 80 N 4.81 -0.49 3.57 7.32 0.00 -1.26 -4.85 105.19 114.29 2dkz n GLY 80 Ca 0.09 0.43 -0.28 0.00 0.00 0.00 0.00 46.02 46.26 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 0.77 2.51 -0.11 1.61 0.04 -1.26 -4.91 135.00 133.65 2dkz s PRO 81 Ca 0.30 -0.82 0.01 0.00 0.04 0.00 0.00 61.00 60.53 2dkz s PRO 81 Cb 0.11 -5.17 0.02 0.00 0.04 0.00 0.00 34.50 29.50 2dkz s PRO 81 CO -0.13 -3.75 -0.14 0.45 0.04 0.00 0.00 177.00 173.47 2dkz s SER 82 N 7.10 2.35 -0.11 6.66 0.15 -1.26 -4.96 113.70 123.64 2dkz s SER 82 Ca 0.69 -0.40 -0.08 0.00 0.70 0.00 0.00 55.95 56.86 2dkz s SER 82 Cb -0.03 -1.03 0.03 0.00 -1.71 0.00 0.00 66.02 63.28 2dkz s SER 82 CO 0.08 -0.01 0.15 -1.20 1.20 0.00 0.00 173.24 173.46 2dkz n SER 83 N 4.35 -3.01 0.00 5.45 7.64 -1.26 -5.16 113.62 121.63 2dkz n SER 83 Ca -0.18 1.32 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2dkz n SER 83 Cb 0.51 -4.72 0.00 0.00 -1.01 0.00 0.00 64.21 58.99 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64