#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 -1.14 -0.23 1.61 1.04 -1.26 -5.12 113.70 108.60 2dkz s SER 2 Ca 0.00 -0.99 -0.00 0.00 0.48 0.00 0.00 55.95 55.44 2dkz s SER 2 Cb 0.00 1.47 0.06 0.00 0.10 0.00 0.00 66.02 67.66 2dkz s SER 2 CO 0.00 -0.08 -0.02 -0.94 0.98 0.00 0.00 173.24 173.18 2dkz s SER 3 N 1.35 3.66 0.00 7.02 1.04 -1.26 -5.05 113.70 120.46 2dkz s SER 3 Ca 0.22 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2dkz s SER 3 Cb 0.01 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dkz s SER 3 CO -0.08 -0.26 0.03 0.61 0.98 0.00 0.00 173.24 174.52 2dkz n GLY 4 N 4.76 1.45 0.50 7.32 0.00 -1.26 -4.92 105.19 113.04 2dkz n GLY 4 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.45 1.35 -4.34 1.61 7.64 -1.26 -5.05 113.62 113.10 2dkz n SER 5 Ca 0.00 0.22 -0.27 0.00 1.01 0.00 0.00 58.87 59.83 2dkz n SER 5 Cb 0.00 -0.52 0.16 0.00 -1.01 0.00 0.00 64.21 62.84 2dkz n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dkz s SER 6 N -6.21 3.60 0.00 6.43 0.01 -1.26 -4.93 113.70 111.34 2dkz s SER 6 Ca -0.20 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2dkz s SER 6 Cb 0.06 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2dkz s SER 6 CO 0.26 -2.39 0.00 0.61 0.41 0.00 0.00 173.24 172.14 2dkz n GLY 7 N -3.34 -0.57 3.63 3.44 0.00 -1.26 -4.84 105.19 102.24 2dkz n GLY 7 Ca 0.16 0.30 -0.43 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.82 0.28 1.61 0.04 -1.26 -5.00 135.00 134.49 2dkz s PRO 8 Ca 0.00 1.67 -0.19 0.00 0.04 0.00 0.00 61.00 62.52 2dkz s PRO 8 Cb 0.00 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.43 2dkz s PRO 8 CO 0.00 -1.26 0.77 -0.46 0.04 0.00 0.00 177.00 176.09 2dkz s TRP 9 N 5.09 3.54 0.09 0.56 -0.00 -1.26 -5.08 118.94 121.89 2dkz s TRP 9 Ca 0.71 1.39 -0.08 0.00 -0.00 0.00 0.00 56.10 58.11 2dkz s TRP 9 Cb -0.25 -2.64 -0.00 0.00 -0.00 0.00 0.00 33.47 30.58 2dkz s TRP 9 CO 0.29 0.22 0.18 -0.65 -0.00 0.00 0.00 176.95 176.99 2dkz s GLN 10 N -2.39 0.86 0.56 5.86 -0.21 -1.26 -5.04 119.66 118.05 2dkz s GLN 10 Ca 0.49 -1.00 -0.19 0.00 0.02 0.00 0.00 55.36 54.68 2dkz s GLN 10 Cb -0.14 0.34 -0.05 0.00 1.00 0.00 0.00 33.01 34.16 2dkz s GLN 10 CO 0.20 -0.27 1.13 -1.25 -2.12 0.00 0.00 175.29 172.97 2dkz s PRO 11 N -3.88 3.26 1.13 2.91 0.04 -1.26 -5.04 135.00 132.16 2dkz s PRO 11 Ca 0.06 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2dkz s PRO 11 Cb 0.05 -2.00 0.25 0.00 0.04 0.00 0.00 34.50 32.85 2dkz s PRO 11 CO -0.10 -0.92 1.10 -1.25 0.04 0.00 0.00 177.00 175.88 2dkz s PRO 12 N -3.43 -0.66 0.15 0.56 0.04 -1.26 -4.95 135.00 125.45 2dkz s PRO 12 Ca 0.72 0.14 -0.17 0.00 0.04 0.00 0.00 61.00 61.72 2dkz s PRO 12 Cb -0.23 -1.64 0.06 0.00 0.04 0.00 0.00 34.50 32.72 2dkz s PRO 12 CO 0.30 -3.38 1.71 0.00 0.04 0.00 0.00 177.00 175.67 2dkz h ALA 13 N -2.35 0.31 -3.58 8.56 0.00 -2.06 -3.41 119.26 116.73 2dkz h ALA 13 Ca -0.49 0.09 -0.68 0.00 0.00 0.00 0.00 54.91 53.83 2dkz h ALA 13 Cb 1.31 0.15 -0.18 0.00 0.00 0.00 0.00 17.79 19.07 2dkz h ALA 13 CO 0.43 -0.39 -0.68 0.16 0.00 0.00 0.00 179.25 178.77 2dkz s ASP 14 N -5.26 4.78 -0.44 0.00 -4.77 -1.26 -5.01 116.67 104.71 2dkz s ASP 14 Ca -0.13 0.00 0.02 0.00 -3.30 0.00 0.00 52.55 49.14 2dkz s ASP 14 Cb 0.12 -1.23 0.53 0.00 -1.09 0.00 0.00 42.92 41.25 2dkz s ASP 14 CO 0.70 0.35 1.86 0.18 0.70 0.00 0.00 175.17 178.96 2dkz n LEU 15 N 2.10 6.54 -2.10 2.11 4.77 -1.26 -4.45 117.00 124.71 2dkz n LEU 15 Ca -0.18 -3.51 -0.27 0.00 -0.03 0.00 0.00 56.01 52.02 2dkz n LEU 15 Cb 0.53 -0.85 0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2dkz n LEU 15 CO 0.28 1.09 1.01 -1.20 -1.33 0.00 0.00 177.39 177.24 2dkz n SER 16 N -0.83 5.96 -0.66 -1.43 7.64 -1.26 -3.75 113.62 119.28 2dkz n SER 16 Ca 0.52 -3.76 -0.03 0.00 1.01 0.00 0.00 58.87 56.61 2dkz n SER 16 Cb 1.29 -0.76 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.91 0.30 3.62 0.23 0.00 -1.26 -4.83 105.19 102.33 2dkz n GLY 17 Ca 0.54 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.22 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 3.44 0.98 0.99 1.43 -1.26 -5.02 118.68 119.25 2dkz s LEU 18 Ca 0.00 0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 2dkz s LEU 18 Cb 0.00 -1.80 0.18 0.00 0.03 0.00 0.00 46.19 44.61 2dkz s LEU 18 CO 0.00 0.31 1.17 -0.94 0.23 0.00 0.00 176.35 177.12 2dkz s SER 19 N -0.49 2.87 0.23 2.29 1.04 -1.26 -0.27 113.70 118.11 2dkz s SER 19 Ca 0.08 0.76 -0.07 0.00 0.48 0.00 0.00 55.95 57.20 2dkz s SER 19 Cb -0.12 -1.16 0.27 0.00 0.10 0.00 0.00 66.02 65.11 2dkz s SER 19 CO 0.02 -2.93 1.87 0.40 0.98 0.00 0.00 173.24 173.59 2dkz h ILE 20 N -1.76 1.12 -0.33 -1.02 2.04 -1.93 -1.84 117.51 113.80 2dkz h ILE 20 Ca -0.48 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 2dkz h ILE 20 Cb 1.30 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2dkz h ILE 20 CO 0.51 0.19 -0.08 -0.33 0.00 0.00 0.00 178.15 178.44 2dkz h GLU 21 N 1.05 0.63 -0.66 2.37 4.39 -1.92 -2.95 114.58 117.48 2dkz h GLU 21 Ca 0.34 -0.24 0.07 0.00 0.34 0.00 0.00 59.36 59.87 2dkz h GLU 21 Cb 0.03 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2dkz h GLU 21 CO -0.12 0.81 0.44 0.93 -1.16 0.00 0.00 179.01 179.90 2dkz h GLU 22 N 0.41 0.62 -0.49 2.33 5.08 -1.81 -0.88 114.58 119.84 2dkz h GLU 22 Ca 0.08 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2dkz h GLU 22 Cb 0.58 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2dkz h GLU 22 CO 0.03 0.41 0.32 0.28 -1.00 0.00 0.00 179.01 179.06 2dkz h VAL 23 N 0.64 1.05 -0.84 3.13 2.07 -1.17 -1.51 116.25 119.63 2dkz h VAL 23 Ca 0.29 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.75 2dkz h VAL 23 Cb 0.31 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2dkz h VAL 23 CO -0.09 0.10 0.54 0.28 0.02 0.00 0.00 177.57 178.42 2dkz h SER 24 N 0.55 0.59 0.75 0.57 0.02 -1.18 -0.84 113.55 114.01 2dkz h SER 24 Ca 0.20 0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.93 2dkz h SER 24 Cb 0.09 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2dkz h SER 24 CO -0.05 0.31 -1.35 0.11 -1.14 0.00 0.00 176.83 174.71 2dkz h LYS 25 N 0.63 0.00 -0.90 3.45 1.57 -1.40 -3.31 116.57 116.61 2dkz h LYS 25 Ca 0.41 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.37 2dkz h LYS 25 Cb 0.69 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 2dkz h LYS 25 CO -0.17 0.71 0.59 0.77 -0.57 0.00 0.00 179.45 180.78 2dkz h SER 26 N 0.00 0.54 1.07 0.86 0.02 -0.45 0.13 113.55 115.71 2dkz h SER 26 Ca -0.15 0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.65 2dkz h SER 26 Cb 1.88 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 64.33 2dkz h SER 26 CO 0.10 0.24 -0.91 -0.07 -1.14 0.00 0.00 176.83 175.04 2dkz h LEU 27 N 0.55 0.00 -1.77 5.07 3.38 -1.62 -3.26 115.31 117.66 2dkz h LEU 27 Ca 0.47 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.63 2dkz h LEU 27 Cb 0.96 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 2dkz h LEU 27 CO -0.21 0.91 0.53 -0.09 0.09 0.00 0.00 178.44 179.67 2dkz h ARG 28 N 0.00 0.20 -0.08 1.13 2.43 -0.82 -0.55 114.38 116.69 2dkz h ARG 28 Ca -0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2dkz h ARG 28 Cb 1.69 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 31.14 2dkz h ARG 28 CO 0.12 0.13 -0.29 0.35 -1.51 0.00 0.00 179.97 178.77 2dkz h PHE 29 N 0.20 -0.78 0.00 2.20 3.57 -1.57 -1.98 116.94 118.58 2dkz h PHE 29 Ca 0.38 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.81 2dkz h PHE 29 Cb 1.17 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 40.25 2dkz h PHE 29 CO -0.00 -0.37 -0.46 -0.84 -2.23 0.00 0.00 178.31 174.41 2dkz h ILE 30 N -0.39 0.87 -2.37 1.41 3.07 -1.55 -3.49 117.51 115.06 2dkz h ILE 30 Ca 0.08 -1.98 0.00 0.00 1.55 0.00 0.00 64.86 64.51 2dkz h ILE 30 Cb 0.51 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.32 2dkz h ILE 30 CO -0.30 0.45 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 2dkz n GLY 31 N 0.89 -1.66 3.89 0.16 0.00 -0.30 -5.12 105.19 103.05 2dkz n GLY 31 Ca 0.01 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.26 2.66 0.40 0.99 1.43 -1.25 -5.03 118.68 117.63 2dkz s LEU 32 Ca 0.00 -1.28 -0.24 0.00 -1.03 0.00 0.00 54.13 51.58 2dkz s LEU 32 Cb 0.00 -1.15 -0.09 0.00 0.03 0.00 0.00 46.19 44.99 2dkz s LEU 32 CO 0.00 -1.09 1.07 -0.44 0.23 0.00 0.00 176.35 176.11 2dkz s SER 33 N -4.25 6.70 0.57 2.29 0.01 -1.26 -4.91 113.70 112.84 2dkz s SER 33 Ca 0.32 2.08 0.27 0.00 1.31 0.00 0.00 55.95 59.93 2dkz s SER 33 Cb -0.02 -2.59 1.55 0.00 0.21 0.00 0.00 66.02 65.17 2dkz s SER 33 CO 0.20 -0.54 2.04 1.05 0.41 0.00 0.00 173.24 176.40 2dkz h GLU 34 N 2.47 0.00 -0.12 12.44 4.11 -2.01 -0.35 114.58 131.12 2dkz h GLU 34 Ca -0.48 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.73 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 0.62 0.00 -0.77 -0.44 0.07 0.00 0.00 179.01 178.49 2dkz h ASP 35 N 0.00 0.89 0.12 3.06 5.19 -1.99 -3.06 116.42 120.62 2dkz h ASP 35 Ca 0.14 -0.65 -0.00 0.00 -0.62 0.00 0.00 57.03 55.90 2dkz h ASP 35 Cb 0.71 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 2dkz h ASP 35 CO -0.00 1.40 -0.08 0.58 -3.12 0.00 0.00 179.24 178.02 2dkz h VAL 36 N 0.44 0.83 -0.26 -1.35 2.07 -1.44 0.13 116.25 116.68 2dkz h VAL 36 Ca -0.06 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.52 2dkz h VAL 36 Cb 1.40 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2dkz h VAL 36 CO 0.16 0.00 -0.15 0.40 0.02 0.00 0.00 177.57 178.00 2dkz h ILE 37 N -0.20 0.57 0.00 4.57 2.04 -1.57 -0.25 117.51 122.67 2dkz h ILE 37 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 2dkz h ILE 37 Cb 0.17 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2dkz h ILE 37 CO 0.00 0.00 -0.21 -1.28 0.00 0.00 0.00 178.15 176.66 2dkz h SER 38 N -0.12 0.00 0.32 1.72 0.87 -1.41 -2.13 113.55 112.80 2dkz h SER 38 Ca 0.14 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2dkz h SER 38 Cb 0.33 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 2dkz h SER 38 CO -0.33 0.21 -0.15 -0.26 -0.53 0.00 0.00 176.83 175.77 2dkz h PHE 39 N 0.00 0.00 0.09 2.24 0.04 0.11 -0.08 116.94 119.35 2dkz h PHE 39 Ca -0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 2dkz h PHE 39 Cb 0.48 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 2dkz h PHE 39 CO 0.00 0.15 -1.64 0.74 -0.60 0.00 0.00 178.31 176.96 2dkz h PHE 40 N 0.00 0.36 0.00 -0.55 -1.00 -0.99 -3.17 116.94 111.58 2dkz h PHE 40 Ca -0.00 -0.26 -0.04 0.00 2.81 0.00 0.00 57.97 60.48 2dkz h PHE 40 Cb 0.35 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 2dkz h PHE 40 CO 0.00 1.65 -0.17 0.28 -1.61 0.00 0.00 178.31 178.46 2dkz h VAL 41 N -0.30 0.63 0.00 -0.55 2.07 -1.33 0.24 116.25 117.01 2dkz h VAL 41 Ca -0.37 -0.75 -0.12 0.00 0.82 0.00 0.00 66.70 66.28 2dkz h VAL 41 Cb 1.78 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 2dkz h VAL 41 CO 0.01 0.17 -0.85 0.00 0.02 0.00 0.00 177.57 176.91 2dkz h THR 42 N 0.00 0.70 -0.57 2.57 1.03 -1.15 -3.27 112.91 112.21 2dkz h THR 42 Ca -0.00 -2.09 -0.15 0.00 -0.01 0.00 0.00 66.41 64.16 2dkz h THR 42 Cb 0.46 2.25 -0.09 0.00 -1.07 0.00 0.00 68.15 69.70 2dkz h THR 42 CO 0.02 0.40 0.19 -0.62 -0.01 0.00 0.00 175.52 175.50 2dkz n GLU 43 N -3.08 3.31 -2.03 0.00 -0.58 -0.90 -4.87 120.64 112.48 2dkz n GLU 43 Ca -0.02 -2.44 -0.16 0.00 -0.42 0.00 0.00 57.16 54.12 2dkz n GLU 43 Cb 0.77 -2.04 -0.03 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 0.02 -1.73 -2.44 3.49 3.00 -1.16 -4.90 118.16 114.46 2dkz n LYS 44 Ca 0.31 0.85 -0.43 0.00 -0.00 0.00 0.00 58.31 59.05 2dkz n LYS 44 Cb 1.15 -5.35 -0.02 0.00 0.00 0.00 0.00 35.03 30.81 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 -2.63 4.30 0.30 3.15 -1.09 0.80 -4.99 121.20 121.04 2dkz s ILE 45 Ca 0.00 1.57 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 2dkz s ILE 45 Cb 0.00 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2dkz s ILE 45 CO 0.00 -0.15 0.06 -0.90 -1.23 0.00 0.00 174.94 172.72 2dkz n ASP 46 N 6.63 2.61 -0.18 3.58 5.68 -1.26 -4.48 116.55 129.13 2dkz n ASP 46 Ca 0.14 -2.24 -0.07 0.00 -0.50 0.00 0.00 54.79 52.12 2dkz n ASP 46 Cb 0.45 0.15 0.03 0.00 -1.14 0.00 0.00 41.12 40.60 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 0.62 0.75 2.00 6.12 0.00 -0.78 0.13 103.07 111.91 2dkz h GLY 47 Ca -0.23 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 2dkz h GLY 47 CO 0.38 0.27 -0.25 -0.57 0.00 0.00 0.00 176.54 176.37 2dkz h ASN 48 N 0.71 0.00 0.10 0.19 -1.24 -1.73 -2.84 115.58 110.77 2dkz h ASN 48 Ca 0.20 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.05 2dkz h ASN 48 Cb -0.08 0.00 0.02 0.00 0.73 0.00 0.00 38.32 38.99 2dkz h ASN 48 CO -0.05 0.25 -0.67 0.25 -1.29 0.00 0.00 177.43 175.92 2dkz h LEU 49 N 0.00 0.43 -0.14 0.34 7.12 -1.70 -3.23 115.31 118.12 2dkz h LEU 49 Ca -0.00 -0.91 0.05 0.00 0.13 0.00 0.00 57.88 57.14 2dkz h LEU 49 Cb 0.55 -0.14 -0.05 0.00 -0.53 0.00 0.00 40.66 40.49 2dkz h LEU 49 CO 0.03 1.30 -0.20 0.25 -0.13 0.00 0.00 178.44 179.70 2dkz h LEU 50 N -0.38 -0.61 -2.17 2.25 5.85 -0.65 0.82 115.31 120.41 2dkz h LEU 50 Ca -0.11 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2dkz h LEU 50 Cb 1.49 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.79 2dkz h LEU 50 CO 0.13 -0.24 0.23 -0.37 -0.34 0.00 0.00 178.44 177.84 2dkz h VAL 51 N -0.24 0.53 0.00 1.05 -1.51 -1.64 0.85 116.25 115.29 2dkz h VAL 51 Ca 0.10 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 65.39 2dkz h VAL 51 Cb 0.39 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.35 2dkz h VAL 51 CO -0.29 0.00 -1.02 1.56 -1.23 0.00 0.00 177.57 176.60 2dkz h GLN 52 N 0.00 0.00 -6.89 5.19 4.20 -0.96 -3.46 115.11 113.19 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 0.56 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.42 2dkz h GLN 52 CO -0.00 0.66 0.72 -0.51 -0.67 0.00 0.00 178.83 179.03 2dkz s LEU 53 N -6.39 4.37 0.41 1.46 1.43 0.29 -5.03 118.68 115.22 2dkz s LEU 53 Ca 0.00 2.86 0.07 0.00 -1.03 0.00 0.00 54.13 56.04 2dkz s LEU 53 Cb 0.09 -3.65 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 2dkz s LEU 53 CO 0.80 -0.72 0.10 0.42 0.23 0.00 0.00 176.35 177.18 2dkz s THR 54 N -0.98 2.20 0.45 5.49 -4.23 -1.26 -4.99 115.64 112.32 2dkz s THR 54 Ca 0.52 -1.83 0.24 0.00 -1.18 0.00 0.00 61.69 59.44 2dkz s THR 54 Cb -0.43 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 70.69 2dkz s THR 54 CO 0.56 -0.01 2.07 -0.08 -0.54 0.00 0.00 174.62 176.63 2dkz h GLU 55 N 1.58 0.00 0.03 3.99 4.81 -1.96 -1.12 114.58 121.92 2dkz h GLU 55 Ca -0.43 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.59 2dkz h GLU 55 Cb 1.25 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.65 2dkz h GLU 55 CO 0.74 0.12 -0.85 0.93 -0.73 0.00 0.00 179.01 179.23 2dkz h GLU 56 N 0.00 0.52 0.00 1.92 4.39 -1.96 -2.85 114.58 116.59 2dkz h GLU 56 Ca -0.00 -0.60 -0.07 0.00 0.34 0.00 0.00 59.36 59.03 2dkz h GLU 56 Cb 0.28 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2dkz h GLU 56 CO 0.02 1.22 -0.32 0.82 -1.16 0.00 0.00 179.01 179.59 2dkz h ILE 57 N 0.07 0.79 0.00 3.13 2.04 -1.87 0.22 117.51 121.89 2dkz h ILE 57 Ca -0.11 -1.34 -0.12 0.00 1.00 0.00 0.00 64.86 64.29 2dkz h ILE 57 Cb 1.55 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 2dkz h ILE 57 CO 0.16 0.31 -0.56 -0.07 0.00 0.00 0.00 178.15 177.99 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -1.24 -1.16 115.31 117.72 2dkz h LEU 58 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 2dkz h LEU 58 Cb 0.81 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2dkz h LEU 58 CO 0.04 0.56 -2.00 -0.24 0.09 0.00 0.00 178.44 176.89 2dkz n SER 59 N -3.33 0.29 -0.06 -0.43 2.88 -1.07 -0.46 113.62 111.44 2dkz n SER 59 Ca 0.01 0.13 -0.02 0.00 -1.33 0.00 0.00 58.87 57.66 2dkz n SER 59 Cb 0.71 0.91 -0.01 0.00 -0.75 0.00 0.00 64.21 65.08 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 -0.62 -3.27 114.58 113.62 2dkz h GLU 60 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 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 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.63 2dkz n ASP 61 N -4.51 0.00 -0.33 1.42 8.00 -0.47 -4.16 116.55 116.50 2dkz n ASP 61 Ca -0.03 0.42 0.09 0.00 0.71 0.00 0.00 54.79 55.97 2dkz n ASP 61 Cb 0.12 -0.32 0.26 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.96 -2.92 1.24 0.04 -1.57 -3.45 116.94 111.24 2dkz h PHE 62 Ca 0.00 0.03 -0.38 0.00 2.80 0.00 0.00 57.97 60.42 2dkz h PHE 62 Cb 0.00 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 2dkz h PHE 62 CO 0.03 0.26 -0.47 1.17 -0.60 0.00 0.00 178.31 178.70 2dkz n LYS 63 N -4.78 -1.76 -0.41 1.51 4.81 0.39 -4.95 118.16 112.97 2dkz n LYS 63 Ca 0.20 0.95 -0.30 0.00 -0.87 0.00 0.00 58.31 58.28 2dkz n LYS 63 Cb 0.46 -5.56 0.28 0.00 0.02 0.00 0.00 35.03 30.24 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 -5.75 -0.87 0.62 3.14 1.43 -0.98 -4.96 118.68 111.31 2dkz s LEU 64 Ca 0.00 0.91 -0.17 0.00 -1.03 0.00 0.00 54.13 53.84 2dkz s LEU 64 Cb 0.00 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 2dkz s LEU 64 CO 0.00 -5.23 1.16 -0.44 0.23 0.00 0.00 176.35 172.07 2dkz s SER 65 N -3.11 5.12 0.39 2.29 0.01 -1.26 -4.73 113.70 112.42 2dkz s SER 65 Ca 0.69 2.23 0.15 0.00 1.31 0.00 0.00 55.95 60.33 2dkz s SER 65 Cb -0.14 -2.58 1.00 0.00 0.21 0.00 0.00 66.02 64.51 2dkz s SER 65 CO 0.59 -1.63 1.84 0.07 0.41 0.00 0.00 173.24 174.51 2dkz h LYS 66 N 0.53 0.48 -0.12 12.44 2.10 -1.99 0.46 116.57 130.47 2dkz h LYS 66 Ca -0.49 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 57.98 2dkz h LYS 66 Cb 1.28 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2dkz h LYS 66 CO 0.54 0.32 -0.50 -0.07 -2.00 0.00 0.00 179.45 177.74 2dkz h LEU 67 N 0.49 0.65 0.49 7.07 -0.00 -1.99 -2.96 115.31 119.07 2dkz h LEU 67 Ca 0.49 -0.63 -0.02 0.00 -0.00 0.00 0.00 57.88 57.72 2dkz h LEU 67 Cb 1.09 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.56 2dkz h LEU 67 CO -0.22 1.17 -0.24 1.56 -0.00 0.00 0.00 178.44 180.72 2dkz h GLN 68 N 0.16 -0.64 -0.61 1.13 4.20 -1.46 0.14 115.11 118.03 2dkz h GLN 68 Ca -0.03 0.04 0.18 0.00 0.06 0.00 0.00 58.65 58.90 2dkz h GLN 68 Cb 1.14 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 2dkz h GLN 68 CO 0.11 -0.40 0.46 0.28 -0.67 0.00 0.00 178.83 178.61 2dkz h VAL 69 N -0.72 0.62 0.05 -0.54 2.07 -1.09 0.25 116.25 116.90 2dkz h VAL 69 Ca -0.07 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 2dkz h VAL 69 Cb 0.54 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2dkz h VAL 69 CO 0.11 0.00 -1.31 0.50 0.02 0.00 0.00 177.57 176.89 2dkz h LYS 70 N 0.00 0.11 -0.02 1.57 3.64 -1.26 -3.21 116.57 117.40 2dkz h LYS 70 Ca 0.29 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2dkz h LYS 70 Cb 1.21 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2dkz h LYS 70 CO -0.00 0.97 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.77 2dkz h LYS 71 N 0.03 0.14 0.07 1.90 3.64 0.21 -2.47 116.57 120.09 2dkz h LYS 71 Ca -0.14 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2dkz h LYS 71 Cb 1.91 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.71 2dkz h LYS 71 CO 0.14 0.80 -0.32 0.82 -2.27 0.00 0.00 179.45 178.62 2dkz h ILE 72 N -0.48 0.31 -0.49 2.00 2.04 -0.79 -1.22 117.51 118.88 2dkz h ILE 72 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2dkz h ILE 72 Cb 0.84 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2dkz h ILE 72 CO 0.03 0.00 0.25 0.24 0.00 0.00 0.00 178.15 178.67 2dkz h MET 73 N -0.51 0.48 -0.26 2.37 2.86 -1.66 -0.73 114.93 117.47 2dkz h MET 73 Ca 0.04 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2dkz h MET 73 Cb 0.57 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2dkz h MET 73 CO -0.22 0.32 0.23 1.96 1.06 0.00 0.00 176.91 180.26 2dkz h GLN 74 N 0.50 0.00 0.01 1.72 4.20 -0.94 0.72 115.11 121.31 2dkz h GLN 74 Ca 0.21 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.71 2dkz h GLN 74 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 2dkz h GLN 74 CO -0.14 0.00 -1.00 0.35 -0.67 0.00 0.00 178.83 177.37 2dkz h PHE 75 N 0.00 0.03 0.37 2.96 3.57 0.05 -1.09 116.94 122.85 2dkz h PHE 75 Ca 0.12 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2dkz h PHE 75 Cb 0.59 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2dkz h PHE 75 CO 0.00 1.00 -0.18 0.82 -2.23 0.00 0.00 178.31 177.72 2dkz h ILE 76 N 0.01 0.00 0.02 1.41 2.04 -0.30 -3.37 117.51 117.31 2dkz h ILE 76 Ca -0.02 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 2dkz h ILE 76 Cb 1.75 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2dkz h ILE 76 CO 0.13 0.00 -0.01 0.78 0.00 0.00 0.00 178.15 179.05 2dkz h ASN 77 N -1.00 -0.02 -1.45 1.72 4.21 -1.53 -3.49 115.58 114.02 2dkz h ASN 77 Ca -0.05 -0.48 0.00 0.00 1.21 0.00 0.00 56.30 56.98 2dkz h ASN 77 Cb 0.39 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.59 2dkz h ASN 77 CO 0.08 0.47 0.00 0.61 -1.29 0.00 0.00 177.43 177.31 2dkz n GLY 78 N 0.25 -1.16 3.69 2.83 0.00 -0.41 -5.07 105.19 105.32 2dkz n GLY 78 Ca -0.08 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.89 2dkz n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkz s SER 79 N 0.00 5.78 0.23 1.61 0.15 -1.24 -5.07 113.70 115.16 2dkz s SER 79 Ca 0.00 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 56.76 2dkz s SER 79 Cb 0.00 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.36 2dkz s SER 79 CO 0.00 0.24 0.31 -0.83 1.20 0.00 0.00 173.24 174.16 2dkz s GLY 80 N -0.03 1.05 -1.16 9.45 0.00 -1.26 -5.07 107.32 110.29 2dkz s GLY 80 Ca 0.07 -1.32 -0.23 0.00 0.00 0.00 0.00 44.72 43.24 2dkz s GLY 80 CO 0.01 -1.02 1.94 2.56 0.00 0.00 0.00 173.10 176.58 2dkz s PRO 81 N -4.02 2.50 -0.54 2.90 0.04 -1.26 -4.82 135.00 129.80 2dkz s PRO 81 Ca 0.31 -1.10 0.04 0.00 0.04 0.00 0.00 61.00 60.28 2dkz s PRO 81 Cb 0.03 -5.23 0.15 0.00 0.04 0.00 0.00 34.50 29.49 2dkz s PRO 81 CO 0.11 -3.94 0.36 0.45 0.04 0.00 0.00 177.00 174.03 2dkz s SER 82 N 6.61 3.71 0.07 6.66 0.15 -1.26 -4.94 113.70 124.69 2dkz s SER 82 Ca 0.68 -3.23 -0.16 0.00 0.70 0.00 0.00 55.95 53.94 2dkz s SER 82 Cb -0.01 -1.21 -0.16 0.00 -1.71 0.00 0.00 66.02 62.93 2dkz s SER 82 CO 0.12 -0.17 1.27 0.28 1.20 0.00 0.00 173.24 175.94 2dkz h SER 83 N 5.96 0.73 0.00 5.45 0.02 -2.08 -3.55 113.55 120.08 2dkz h SER 83 Ca 0.10 -0.62 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2dkz h SER 83 Cb 0.85 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2dkz h SER 83 CO 0.57 1.23 0.00 0.61 -1.14 0.00 0.00 176.83 178.10