#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkz s SER 2 N 0.00 2.89 0.00 1.61 0.01 -1.26 -5.07 113.70 111.88 2dkz s SER 2 Ca 0.00 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.76 2dkz s SER 2 Cb 0.00 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dkz s SER 2 CO 0.00 -0.72 0.00 -0.24 0.41 0.00 0.00 173.24 172.69 2dkz n SER 3 N -0.97 0.22 0.00 2.44 2.88 -1.26 -5.07 113.62 111.86 2dkz n SER 3 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2dkz n SER 3 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.12 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 4 N 1.64 2.89 2.90 0.46 0.00 -1.26 -5.12 105.19 106.70 2dkz n GLY 4 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2dkz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkz s SER 5 N 0.00 -0.06 0.15 1.61 0.01 -1.26 -5.16 113.70 108.99 2dkz s SER 5 Ca 0.00 0.21 -0.11 0.00 1.31 0.00 0.00 55.95 57.36 2dkz s SER 5 Cb 0.00 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2dkz s SER 5 CO 0.00 -0.12 0.32 -0.94 0.41 0.00 0.00 173.24 172.91 2dkz s SER 6 N 0.89 -0.03 0.00 2.44 1.04 -1.26 -5.18 113.70 111.60 2dkz s SER 6 Ca -0.07 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dkz s SER 6 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2dkz s SER 6 CO -0.04 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2dkz n GLY 7 N -0.20 -1.49 3.66 7.32 0.00 -1.26 -5.12 105.19 108.09 2dkz n GLY 7 Ca -0.11 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.55 4.16 0.00 1.61 0.04 -1.26 -5.01 135.00 132.99 2dkz s PRO 8 Ca 0.00 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2dkz s PRO 8 Cb 0.00 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2dkz s PRO 8 CO 0.00 -0.84 -0.05 -0.46 0.04 0.00 0.00 177.00 175.68 2dkz s TRP 9 N 3.97 2.92 0.07 0.56 -0.00 -1.26 -5.13 118.94 120.09 2dkz s TRP 9 Ca 0.67 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.10 56.72 2dkz s TRP 9 Cb -0.29 -1.62 -0.03 0.00 -0.00 0.00 0.00 33.47 31.53 2dkz s TRP 9 CO 0.25 0.39 0.06 -0.65 -0.00 0.00 0.00 176.95 177.00 2dkz s GLN 10 N -1.43 0.73 0.56 5.86 -0.21 -1.26 -5.12 119.66 118.79 2dkz s GLN 10 Ca 0.17 -1.15 -0.19 0.00 0.02 0.00 0.00 55.36 54.22 2dkz s GLN 10 Cb -0.11 0.26 -0.05 0.00 1.00 0.00 0.00 33.01 34.11 2dkz s GLN 10 CO 0.08 -0.18 1.12 -1.25 -2.12 0.00 0.00 175.29 172.94 2dkz s PRO 11 N -3.91 3.26 0.88 2.91 0.04 -1.26 -5.05 135.00 131.87 2dkz s PRO 11 Ca 0.08 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.54 2dkz s PRO 11 Cb 0.07 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.83 2dkz s PRO 11 CO -0.09 -0.91 0.78 -0.35 0.04 0.00 0.00 177.00 176.47 2dkz n PRO 12 N -1.50 -2.55 -0.08 0.56 -0.04 -1.26 -5.01 135.00 125.12 2dkz n PRO 12 Ca 0.11 -1.25 -0.06 0.00 -0.04 0.00 0.00 63.50 62.26 2dkz n PRO 12 Cb 0.51 -1.17 -0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 -4.34 1.72 0.00 0.55 0.00 -1.26 -4.42 120.51 112.76 2dkz n ALA 13 Ca -0.15 -1.17 -0.10 0.00 0.00 0.00 0.00 53.44 52.02 2dkz n ALA 13 Cb 0.42 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.42 2dkz n ALA 13 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2dkz h ASP 14 N 0.00 0.08 -3.25 0.00 3.04 -1.98 -3.48 116.42 110.83 2dkz h ASP 14 Ca -0.44 -0.14 -0.29 0.00 -3.24 0.00 0.00 57.03 52.91 2dkz h ASP 14 Cb 2.02 -0.03 -0.03 0.00 -1.04 0.00 0.00 39.33 40.26 2dkz h ASP 14 CO 0.03 1.13 -0.35 0.18 -2.04 0.00 0.00 179.24 178.18 2dkz n LEU 15 N -3.18 -1.30 -1.02 0.15 4.77 -1.26 -4.82 117.00 110.34 2dkz n LEU 15 Ca -0.15 0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2dkz n LEU 15 Cb 1.03 -2.31 0.20 0.00 -2.33 0.00 0.00 43.42 40.01 2dkz n LEU 15 CO 0.46 -0.25 0.59 -1.54 -1.33 0.00 0.00 177.39 175.31 2dkz n SER 16 N -1.66 2.28 -0.54 -1.43 3.41 -1.26 -3.85 113.62 110.57 2dkz n SER 16 Ca -0.17 -3.83 -0.00 0.00 -0.26 0.00 0.00 58.87 54.61 2dkz n SER 16 Cb 0.60 -0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 17 N -1.12 0.87 3.88 5.00 0.00 -1.26 -4.73 105.19 107.82 2dkz n GLY 17 Ca 0.29 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 4.36 0.60 0.99 1.43 -1.26 -4.99 118.68 119.80 2dkz s LEU 18 Ca 0.01 0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 53.70 2dkz s LEU 18 Cb 0.01 -2.81 0.02 0.00 0.03 0.00 0.00 46.19 43.44 2dkz s LEU 18 CO -0.00 0.22 0.89 -0.94 0.23 0.00 0.00 176.35 176.74 2dkz s SER 19 N -1.76 5.37 0.57 2.29 1.04 -1.26 -0.45 113.70 119.50 2dkz s SER 19 Ca 0.30 0.50 0.28 0.00 0.48 0.00 0.00 55.95 57.51 2dkz s SER 19 Cb -0.13 -1.42 1.52 0.00 0.10 0.00 0.00 66.02 66.09 2dkz s SER 19 CO 0.17 -1.18 2.00 0.40 0.98 0.00 0.00 173.24 175.61 2dkz h ILE 20 N -0.20 0.50 0.03 -1.02 2.04 -1.91 0.15 117.51 117.11 2dkz h ILE 20 Ca -0.45 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.16 2dkz h ILE 20 Cb 1.28 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 2dkz h ILE 20 CO 0.59 0.00 -1.29 -0.08 0.00 0.00 0.00 178.15 177.37 2dkz h GLU 21 N 0.00 0.07 -0.26 2.37 4.81 -1.92 -3.33 114.58 116.31 2dkz h GLU 21 Ca 0.18 -0.11 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 2dkz h GLU 21 Cb 0.89 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 2dkz h GLU 21 CO -0.00 0.91 -0.34 0.93 -0.73 0.00 0.00 179.01 179.78 2dkz h GLU 22 N 0.02 0.69 -0.81 1.92 4.39 -1.10 -3.09 114.58 116.60 2dkz h GLU 22 Ca -0.13 -0.39 0.15 0.00 0.34 0.00 0.00 59.36 59.33 2dkz h GLU 22 Cb 1.89 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 30.51 2dkz h GLU 22 CO 0.13 1.01 0.53 0.28 -1.16 0.00 0.00 179.01 179.80 2dkz h VAL 23 N 0.41 0.79 -0.47 3.13 2.07 -1.35 0.11 116.25 120.94 2dkz h VAL 23 Ca 0.03 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.51 2dkz h VAL 23 Cb 0.92 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2dkz h VAL 23 CO 0.08 0.09 0.33 0.28 0.02 0.00 0.00 177.57 178.37 2dkz h SER 24 N 0.48 0.05 0.60 0.57 0.02 -1.64 -0.36 113.55 113.27 2dkz h SER 24 Ca 0.40 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.14 2dkz h SER 24 Cb 0.86 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 2dkz h SER 24 CO -0.15 0.03 -1.55 0.29 -1.14 0.00 0.00 176.83 174.31 2dkz n LYS 25 N -4.41 0.63 -0.23 3.45 5.02 0.32 -4.00 118.16 118.93 2dkz n LYS 25 Ca 0.08 0.24 0.16 0.00 -2.02 0.00 0.00 58.31 56.77 2dkz n LYS 25 Cb 0.51 -1.79 0.47 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.47 0.91 4.39 0.02 -0.39 0.12 113.55 119.06 2dkz h SER 26 Ca -0.22 0.04 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 2dkz h SER 26 Cb 1.75 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 64.21 2dkz h SER 26 CO 0.06 0.22 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.93 2dkz h LEU 27 N 0.49 0.05 -2.07 5.07 3.38 -1.68 -3.22 115.31 117.33 2dkz h LEU 27 Ca 0.44 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.47 2dkz h LEU 27 Cb 0.97 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2dkz h LEU 27 CO -0.18 0.98 0.29 -0.09 0.09 0.00 0.00 178.44 179.54 2dkz h ARG 28 N 0.01 0.00 -0.30 1.13 9.65 -0.90 -0.20 114.38 123.78 2dkz h ARG 28 Ca -0.02 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 2dkz h ARG 28 Cb 1.69 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 30.21 2dkz h ARG 28 CO 0.13 0.00 -0.11 0.35 2.80 0.00 0.00 179.97 183.14 2dkz h PHE 29 N 0.00 -0.25 0.00 2.20 3.57 -1.54 -2.50 116.94 118.43 2dkz h PHE 29 Ca 0.17 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 2dkz h PHE 29 Cb 0.75 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2dkz h PHE 29 CO 0.00 -0.17 -1.11 -0.84 -2.23 0.00 0.00 178.31 173.96 2dkz h ILE 30 N -0.05 0.60 -2.09 1.41 3.07 -1.58 -3.50 117.51 115.38 2dkz h ILE 30 Ca 0.15 -2.03 0.00 0.00 1.55 0.00 0.00 64.86 64.53 2dkz h ILE 30 Cb 0.28 2.13 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2dkz h ILE 30 CO -0.34 0.34 0.00 0.61 -1.05 0.00 0.00 178.15 177.72 2dkz n GLY 31 N 1.33 -2.03 2.69 0.16 0.00 -0.16 -5.12 105.19 102.06 2dkz n GLY 31 Ca -0.06 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 2dkz n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkz n LEU 32 N 0.00 0.00 -4.77 0.99 4.77 -1.25 -5.02 117.00 111.72 2dkz n LEU 32 Ca 0.00 -2.12 -0.39 0.00 -0.03 0.00 0.00 56.01 53.47 2dkz n LEU 32 Cb 0.00 0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 2dkz n LEU 32 CO 0.00 -0.44 0.84 -0.44 -1.33 0.00 0.00 177.39 176.02 2dkz s SER 33 N -3.22 6.83 0.56 -1.43 0.01 -1.26 -4.91 113.70 110.28 2dkz s SER 33 Ca 0.16 2.36 0.24 0.00 1.31 0.00 0.00 55.95 60.02 2dkz s SER 33 Cb -0.01 -2.62 1.51 0.00 0.21 0.00 0.00 66.02 65.10 2dkz s SER 33 CO 0.10 -0.46 2.12 -0.33 0.41 0.00 0.00 173.24 175.08 2dkz h GLU 34 N 3.15 0.00 -0.19 12.44 4.39 -2.00 -1.31 114.58 131.06 2dkz h GLU 34 Ca -0.48 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.04 2dkz h GLU 34 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2dkz h GLU 34 CO 0.64 0.00 -0.57 0.22 -1.16 0.00 0.00 179.01 178.15 2dkz h ASP 35 N 0.00 0.83 0.15 1.42 1.82 -1.99 -2.98 116.42 115.67 2dkz h ASP 35 Ca 0.08 -0.59 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 2dkz h ASP 35 Cb 0.37 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.14 2dkz h ASP 35 CO -0.00 1.27 -0.07 0.58 -1.61 0.00 0.00 179.24 179.41 2dkz h VAL 36 N 0.43 0.88 -0.54 2.25 2.07 -1.63 0.18 116.25 119.90 2dkz h VAL 36 Ca -0.02 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2dkz h VAL 36 Cb 1.19 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.83 2dkz h VAL 36 CO 0.12 0.03 0.09 0.40 0.02 0.00 0.00 177.57 178.23 2dkz h ILE 37 N -0.26 0.67 0.00 4.57 2.04 -1.54 0.30 117.51 123.30 2dkz h ILE 37 Ca -0.02 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 2dkz h ILE 37 Cb 0.20 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2dkz h ILE 37 CO 0.03 0.04 -0.38 0.77 0.00 0.00 0.00 178.15 178.61 2dkz h SER 38 N 0.22 0.00 0.37 1.72 4.64 -1.36 -2.80 113.55 116.35 2dkz h SER 38 Ca 0.28 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.56 2dkz h SER 38 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2dkz h SER 38 CO -0.37 0.38 -0.17 -0.26 -0.87 0.00 0.00 176.83 175.54 2dkz h PHE 39 N 0.00 0.00 0.09 4.77 0.04 0.15 -1.74 116.94 120.26 2dkz h PHE 39 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2dkz h PHE 39 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 2dkz h PHE 39 CO 0.00 0.17 -0.05 0.74 -0.60 0.00 0.00 178.31 178.57 2dkz h PHE 40 N 0.00 -0.12 -0.43 -0.55 -1.00 -1.14 -3.08 116.94 110.61 2dkz h PHE 40 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.86 2dkz h PHE 40 Cb 0.40 0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.92 2dkz h PHE 40 CO 0.00 -0.07 -0.05 0.28 -1.61 0.00 0.00 178.31 176.86 2dkz h VAL 41 N -1.03 0.61 -0.09 -0.55 2.07 -1.55 0.22 116.25 115.94 2dkz h VAL 41 Ca -0.01 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2dkz h VAL 41 Cb 0.10 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2dkz h VAL 41 CO 0.02 0.01 0.10 0.00 0.02 0.00 0.00 177.57 177.72 2dkz h THR 42 N 0.05 0.49 -0.58 2.57 1.03 -1.47 0.92 112.91 115.92 2dkz h THR 42 Ca 0.21 0.00 -0.15 0.00 -0.01 0.00 0.00 66.41 66.46 2dkz h THR 42 Cb 0.32 0.92 -0.09 0.00 -1.07 0.00 0.00 68.15 68.23 2dkz h THR 42 CO -0.40 0.00 0.19 -0.62 -0.01 0.00 0.00 175.52 174.68 2dkz n GLU 43 N -3.82 3.34 -2.02 0.00 -0.58 0.58 -4.87 120.64 113.27 2dkz n GLU 43 Ca -0.01 -2.47 -0.16 0.00 -0.42 0.00 0.00 57.16 54.10 2dkz n GLU 43 Cb 0.20 -2.05 -0.03 0.00 -0.57 0.00 0.00 31.44 28.99 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 0.02 -1.70 -2.46 3.49 4.81 0.32 -4.89 118.16 117.74 2dkz n LYS 44 Ca 0.31 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 2dkz n LYS 44 Cb 1.17 -5.37 -0.02 0.00 0.02 0.00 0.00 35.03 30.83 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 -2.64 4.26 0.18 3.15 -1.09 0.04 -5.00 121.20 120.10 2dkz s ILE 45 Ca 0.00 1.47 0.01 0.00 -2.23 0.00 0.00 60.65 59.90 2dkz s ILE 45 Cb 0.00 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 2dkz s ILE 45 CO 0.00 -0.35 0.07 -0.90 -1.23 0.00 0.00 174.94 172.53 2dkz n ASP 46 N 7.13 2.05 0.40 3.58 5.68 -1.26 -4.32 116.55 129.81 2dkz n ASP 46 Ca 0.14 -1.71 -0.19 0.00 -0.50 0.00 0.00 54.79 52.52 2dkz n ASP 46 Cb 0.46 0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.33 -1.22 1.37 6.12 0.00 -0.92 0.13 103.07 108.87 2dkz h GLY 47 Ca -0.13 0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.77 2dkz h GLY 47 CO 0.22 -0.42 0.24 -0.57 0.00 0.00 0.00 176.54 176.01 2dkz h ASN 48 N -1.11 0.00 0.06 0.19 -1.24 -1.72 -0.88 115.58 110.88 2dkz h ASN 48 Ca -0.10 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.66 2dkz h ASN 48 Cb 0.89 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.97 2dkz h ASN 48 CO 0.10 0.00 -1.04 0.25 -1.29 0.00 0.00 177.43 175.44 2dkz h LEU 49 N 0.00 0.81 -0.26 0.34 7.12 -1.74 -2.87 115.31 118.71 2dkz h LEU 49 Ca 0.12 -0.79 0.02 0.00 0.13 0.00 0.00 57.88 57.36 2dkz h LEU 49 Cb 0.61 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.46 2dkz h LEU 49 CO -0.00 1.51 0.10 0.25 -0.13 0.00 0.00 178.44 180.17 2dkz h LEU 50 N 0.20 0.13 -1.62 2.25 5.85 0.68 0.26 115.31 123.06 2dkz h LEU 50 Ca -0.15 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2dkz h LEU 50 Cb 1.73 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.75 2dkz h LEU 50 CO 0.20 0.11 -0.18 -0.37 -0.34 0.00 0.00 178.44 177.86 2dkz h VAL 51 N 0.23 0.67 0.00 1.05 -1.51 -1.55 -2.52 116.25 112.61 2dkz h VAL 51 Ca 0.11 -0.79 -0.20 0.00 -1.23 0.00 0.00 66.70 64.59 2dkz h VAL 51 Cb 0.07 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.69 2dkz h VAL 51 CO -0.10 0.18 -1.06 1.56 -1.23 0.00 0.00 177.57 176.92 2dkz h GLN 52 N 0.00 0.00 -6.87 5.19 4.20 -1.04 -3.47 115.11 113.12 2dkz h GLN 52 Ca -0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2dkz h GLN 52 Cb 0.48 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.41 2dkz h GLN 52 CO 0.02 0.78 0.31 1.28 -0.67 0.00 0.00 178.83 180.55 2dkz n LEU 53 N -3.24 4.16 0.00 1.46 4.77 0.83 -5.02 117.00 119.95 2dkz n LEU 53 Ca -0.03 0.92 -0.10 0.00 -0.03 0.00 0.00 56.01 56.76 2dkz n LEU 53 Cb 0.92 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 2dkz n LEU 53 CO 0.45 -1.29 -0.05 0.35 -1.33 0.00 0.00 177.39 175.52 2dkz n THR 54 N -1.20 0.00 0.00 -5.08 -2.24 -1.26 -5.01 114.28 99.49 2dkz n THR 54 Ca 0.11 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.96 2dkz n THR 54 Cb 0.45 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 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 0.14 0.00 -0.78 4.81 -1.95 -3.18 114.58 113.61 2dkz h GLU 55 Ca -0.14 -0.23 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 2dkz h GLU 55 Cb 0.43 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 2dkz h GLU 55 CO 0.22 0.87 -0.43 0.93 -0.73 0.00 0.00 179.01 179.87 2dkz h GLU 56 N 0.04 0.00 0.05 1.92 5.08 -1.98 -2.95 114.58 116.75 2dkz h GLU 56 Ca -0.32 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.80 2dkz h GLU 56 Cb 2.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.25 2dkz h GLU 56 CO 0.10 0.43 -1.13 0.82 -1.00 0.00 0.00 179.01 178.23 2dkz h ILE 57 N 0.00 1.60 0.00 3.13 2.04 -1.98 -1.41 117.51 120.89 2dkz h ILE 57 Ca -0.00 -3.25 -0.04 0.00 1.00 0.00 0.00 64.86 62.56 2dkz h ILE 57 Cb 0.83 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 2dkz h ILE 57 CO 0.06 0.93 -0.21 -0.07 0.00 0.00 0.00 178.15 178.85 2dkz h LEU 58 N 0.03 0.00 0.00 1.44 3.38 -1.50 0.20 115.31 118.86 2dkz h LEU 58 Ca -0.07 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 2dkz h LEU 58 Cb 1.86 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 2dkz h LEU 58 CO 0.16 0.21 -2.11 -0.24 0.09 0.00 0.00 178.44 176.55 2dkz n SER 59 N -3.78 0.16 -0.06 -0.43 2.88 -1.15 -0.25 113.62 110.99 2dkz n SER 59 Ca -0.02 0.07 -0.06 0.00 -1.33 0.00 0.00 58.87 57.53 2dkz n SER 59 Cb 0.32 1.12 -0.05 0.00 -0.75 0.00 0.00 64.21 64.85 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 -1.04 -3.25 114.58 113.23 2dkz h GLU 60 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2dkz h GLU 60 Cb 1.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2dkz h GLU 60 CO 0.03 0.39 0.00 -0.25 -1.16 0.00 0.00 179.01 178.02 2dkz n ASP 61 N -4.70 0.00 -0.20 1.42 9.92 0.68 -4.32 116.55 119.35 2dkz n ASP 61 Ca -0.05 0.26 0.21 0.00 -0.53 0.00 0.00 54.79 54.68 2dkz n ASP 61 Cb 0.21 -0.37 0.58 0.00 -0.64 0.00 0.00 41.12 40.90 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2dkz h PHE 62 N 0.00 0.36 -4.14 1.24 0.04 -1.57 -3.45 116.94 109.43 2dkz h PHE 62 Ca 0.00 0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.48 2dkz h PHE 62 Cb 0.00 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 2dkz h PHE 62 CO 0.00 0.10 -0.41 1.17 -0.60 0.00 0.00 178.31 178.57 2dkz n LYS 63 N -4.44 -2.65 -0.79 1.51 4.81 0.65 -4.93 118.16 112.32 2dkz n LYS 63 Ca 0.18 0.63 -0.30 0.00 -0.87 0.00 0.00 58.31 57.95 2dkz n LYS 63 Cb 0.74 -5.28 0.27 0.00 0.02 0.00 0.00 35.03 30.78 2dkz n LYS 63 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2dkz n LEU 64 N -3.11 0.00 -4.87 3.14 4.77 -0.64 -4.95 117.00 111.34 2dkz n LEU 64 Ca -0.13 -1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 54.47 2dkz n LEU 64 Cb 0.60 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2dkz n LEU 64 CO 0.27 -2.39 0.68 -0.55 -1.33 0.00 0.00 177.39 174.07 2dkz s SER 65 N -4.04 6.24 0.37 -1.43 0.15 -1.26 -4.82 113.70 108.91 2dkz s SER 65 Ca 0.70 1.35 0.09 0.00 0.70 0.00 0.00 55.95 58.79 2dkz s SER 65 Cb -0.09 -2.44 0.83 0.00 -1.71 0.00 0.00 66.02 62.62 2dkz s SER 65 CO 0.55 -0.82 1.92 0.07 1.20 0.00 0.00 173.24 176.16 2dkz h LYS 66 N -0.21 0.65 -0.42 5.44 2.10 -1.98 0.11 116.57 122.27 2dkz h LYS 66 Ca -0.45 -0.04 -0.09 0.00 -2.00 0.00 0.00 60.65 58.07 2dkz h LYS 66 Cb 1.19 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.36 2dkz h LYS 66 CO 0.62 0.43 -0.10 -0.07 -2.00 0.00 0.00 179.45 178.33 2dkz h LEU 67 N 0.67 0.81 0.00 7.07 -0.00 -1.99 -2.33 115.31 119.54 2dkz h LEU 67 Ca 0.37 -0.36 -0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2dkz h LEU 67 Cb 0.54 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2dkz h LEU 67 CO -0.14 0.98 -0.00 1.56 -0.00 0.00 0.00 178.44 180.83 2dkz h GLN 68 N 0.62 -0.00 -0.27 1.13 4.20 -1.62 0.36 115.11 119.53 2dkz h GLN 68 Ca 0.11 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.89 2dkz h GLN 68 Cb 0.62 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2dkz h GLN 68 CO 0.04 0.44 0.25 0.28 -0.67 0.00 0.00 178.83 179.17 2dkz h VAL 69 N -0.45 0.57 0.00 -0.54 2.07 -0.85 0.82 116.25 117.87 2dkz h VAL 69 Ca -0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 2dkz h VAL 69 Cb 0.44 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2dkz h VAL 69 CO 0.00 0.00 -0.70 0.50 0.02 0.00 0.00 177.57 177.39 2dkz h LYS 70 N 0.00 0.00 0.31 1.57 3.64 -1.26 -3.17 116.57 117.66 2dkz h LYS 70 Ca 0.13 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2dkz h LYS 70 Cb 0.63 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 2dkz h LYS 70 CO -0.00 1.00 -0.25 0.87 -2.27 0.00 0.00 179.45 178.79 2dkz h LYS 71 N -1.00 -0.55 0.19 1.90 1.57 -0.42 0.98 116.57 119.23 2dkz h LYS 71 Ca -0.19 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2dkz h LYS 71 Cb 1.17 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.56 2dkz h LYS 71 CO -0.12 -0.37 -0.42 0.82 -0.57 0.00 0.00 179.45 178.79 2dkz h ILE 72 N -0.58 0.15 -0.75 1.86 2.04 -1.05 -1.90 117.51 117.30 2dkz h ILE 72 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 2dkz h ILE 72 Cb 0.51 0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.66 2dkz h ILE 72 CO -0.02 0.00 0.35 0.24 0.00 0.00 0.00 178.15 178.72 2dkz h MET 73 N -0.70 0.54 -0.22 2.37 2.86 -1.50 0.17 114.93 118.44 2dkz h MET 73 Ca 0.01 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 2dkz h MET 73 Cb 0.70 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2dkz h MET 73 CO -0.20 0.36 0.19 1.96 1.06 0.00 0.00 176.91 180.27 2dkz h GLN 74 N 0.55 0.00 0.00 1.72 4.20 -0.15 0.57 115.11 122.01 2dkz h GLN 74 Ca 0.39 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.92 2dkz h GLN 74 Cb 0.50 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2dkz h GLN 74 CO -0.33 0.00 -0.94 0.35 -0.67 0.00 0.00 178.83 177.24 2dkz h PHE 75 N 0.00 0.00 0.40 2.96 3.57 0.07 -1.02 116.94 122.92 2dkz h PHE 75 Ca 0.11 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2dkz h PHE 75 Cb 0.49 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 2dkz h PHE 75 CO 0.00 0.81 -0.19 0.82 -2.23 0.00 0.00 178.31 177.52 2dkz h ILE 76 N 0.00 0.00 -0.06 1.41 2.04 -0.24 -3.33 117.51 117.33 2dkz h ILE 76 Ca -0.05 -0.45 -0.17 0.00 1.00 0.00 0.00 64.86 65.20 2dkz h ILE 76 Cb 1.66 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2dkz h ILE 76 CO 0.10 0.00 -0.70 0.78 0.00 0.00 0.00 178.15 178.33 2dkz h ASN 77 N -0.98 0.35 -4.20 1.72 2.35 -1.56 -3.49 115.58 109.77 2dkz h ASN 77 Ca -0.05 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 2dkz h ASN 77 Cb 0.41 -0.10 0.07 0.00 0.05 0.00 0.00 38.32 38.75 2dkz h ASN 77 CO 0.09 0.94 -0.31 0.61 -1.65 0.00 0.00 177.43 177.11 2dkz n GLY 78 N 0.48 -0.30 3.68 2.83 0.00 -0.39 -4.94 105.19 106.55 2dkz n GLY 78 Ca -0.03 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.00 6.63 1.15 1.61 0.01 -1.22 -4.99 113.70 113.90 2dkz s SER 79 Ca 0.16 2.39 -0.16 0.00 1.31 0.00 0.00 55.95 59.66 2dkz s SER 79 Cb -0.02 -2.55 0.26 0.00 0.21 0.00 0.00 66.02 63.92 2dkz s SER 79 CO 0.37 -0.90 1.06 -0.83 0.41 0.00 0.00 173.24 173.34 2dkz s GLY 80 N 2.87 1.54 -1.17 3.44 0.00 -1.26 -4.84 107.32 107.89 2dkz s GLY 80 Ca 0.74 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 44.71 2dkz s GLY 80 CO 0.32 0.24 1.94 2.56 0.00 0.00 0.00 173.10 178.15 2dkz s PRO 81 N -4.96 2.49 -0.26 2.90 0.04 -1.26 -4.81 135.00 129.14 2dkz s PRO 81 Ca 0.68 -1.13 -0.04 0.00 0.04 0.00 0.00 61.00 60.55 2dkz s PRO 81 Cb -0.17 -5.24 0.14 0.00 0.04 0.00 0.00 34.50 29.27 2dkz s PRO 81 CO 0.59 -3.97 0.50 -1.12 0.04 0.00 0.00 177.00 173.04 2dkz s SER 82 N 6.56 -0.60 -0.86 6.66 0.01 -1.26 -4.98 113.70 119.24 2dkz s SER 82 Ca 0.68 0.77 -0.03 0.00 1.31 0.00 0.00 55.95 58.69 2dkz s SER 82 Cb -0.01 1.68 -0.03 0.00 0.21 0.00 0.00 66.02 67.87 2dkz s SER 82 CO 0.13 -0.26 0.78 -0.24 0.41 0.00 0.00 173.24 174.05 2dkz n SER 83 N 5.40 -7.06 0.00 2.44 2.88 -1.26 -5.16 113.62 110.86 2dkz n SER 83 Ca -0.05 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2dkz n SER 83 Cb 0.50 -5.10 0.00 0.00 -0.75 0.00 0.00 64.21 58.86 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42