#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 5.71 -0.66 1.61 0.01 -1.26 -4.94 113.70 114.16 2dkz s SER 2 Ca 0.00 2.74 -0.23 0.00 1.31 0.00 0.00 55.95 59.78 2dkz s SER 2 Cb 0.00 -2.64 0.07 0.00 0.21 0.00 0.00 66.02 63.66 2dkz s SER 2 CO 0.00 -1.27 0.98 -0.44 0.41 0.00 0.00 173.24 172.92 2dkz s SER 3 N -0.84 6.18 0.00 2.44 0.01 -1.26 -4.89 113.70 115.34 2dkz s SER 3 Ca 0.65 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2dkz s SER 3 Cb -0.40 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.41 2dkz s SER 3 CO 0.49 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 173.29 2dkz n GLY 4 N 5.33 4.05 3.70 3.44 0.00 -1.26 -5.13 105.19 115.32 2dkz n GLY 4 Ca -0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 1.68 7.31 -0.11 1.61 0.01 -1.26 -4.97 113.70 117.98 2dkz s SER 5 Ca 0.00 1.63 -0.08 0.00 1.31 0.00 0.00 55.95 58.81 2dkz s SER 5 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.64 2dkz s SER 5 CO 0.00 -0.33 -0.16 -1.20 0.41 0.00 0.00 173.24 171.96 2dkz n SER 6 N 4.28 1.30 -3.78 2.44 7.64 -1.26 -5.07 113.62 119.17 2dkz n SER 6 Ca 0.07 0.44 -0.14 0.00 1.01 0.00 0.00 58.87 60.25 2dkz n SER 6 Cb 0.50 -0.73 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 2dkz n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkz s GLY 7 N -3.91 1.60 0.25 0.23 0.00 -1.26 -5.14 107.32 99.08 2dkz s GLY 7 Ca -0.13 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.61 2dkz s GLY 7 CO 0.20 -1.26 1.27 2.56 0.00 0.00 0.00 173.10 175.86 2dkz s PRO 8 N -3.76 4.43 -0.03 2.90 0.04 -1.26 -5.04 135.00 132.28 2dkz s PRO 8 Ca 0.36 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.34 2dkz s PRO 8 Cb 0.04 -3.16 0.02 0.00 0.04 0.00 0.00 34.50 31.43 2dkz s PRO 8 CO 0.18 -0.15 0.25 -0.46 0.04 0.00 0.00 177.00 176.86 2dkz s TRP 9 N -0.46 -0.15 0.09 0.56 -0.00 -1.26 -5.17 118.94 112.54 2dkz s TRP 9 Ca 0.52 0.28 -0.06 0.00 -0.00 0.00 0.00 56.10 56.84 2dkz s TRP 9 Cb -0.36 0.06 -0.01 0.00 -0.00 0.00 0.00 33.47 33.15 2dkz s TRP 9 CO 0.43 -0.29 0.14 -0.65 -0.00 0.00 0.00 176.95 176.57 2dkz s GLN 10 N -0.94 0.81 0.57 5.86 -0.21 -1.26 -5.00 119.66 119.48 2dkz s GLN 10 Ca -0.10 -1.06 -0.19 0.00 0.02 0.00 0.00 55.36 54.03 2dkz s GLN 10 Cb -0.05 0.31 -0.05 0.00 1.00 0.00 0.00 33.01 34.22 2dkz s GLN 10 CO 0.02 -0.24 1.13 -1.25 -2.12 0.00 0.00 175.29 172.83 2dkz s PRO 11 N -3.89 3.25 1.03 2.91 0.04 -1.26 -5.04 135.00 132.03 2dkz s PRO 11 Ca 0.07 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.51 2dkz s PRO 11 Cb 0.06 -1.99 0.26 0.00 0.04 0.00 0.00 34.50 32.86 2dkz s PRO 11 CO -0.09 -0.93 0.91 -0.35 0.04 0.00 0.00 177.00 176.58 2dkz n PRO 12 N -1.52 -2.81 0.08 0.56 -0.04 -1.26 -4.98 135.00 125.04 2dkz n PRO 12 Ca 0.11 -1.46 -0.01 0.00 -0.04 0.00 0.00 63.50 62.11 2dkz n PRO 12 Cb 0.51 -1.37 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 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 -2.63 0.61 -2.83 0.55 0.00 -1.96 -3.41 119.26 109.60 2dkz h ALA 13 Ca -0.34 -0.73 -0.78 0.00 0.00 0.00 0.00 54.91 53.06 2dkz h ALA 13 Cb 1.05 0.05 -0.27 0.00 0.00 0.00 0.00 17.79 18.61 2dkz h ALA 13 CO 0.22 0.90 0.10 -0.51 0.00 0.00 0.00 179.25 179.96 2dkz s ASP 14 N -6.29 6.68 0.57 0.00 1.11 -1.26 -3.92 116.67 113.56 2dkz s ASP 14 Ca 0.01 -2.86 0.26 0.00 0.18 0.00 0.00 52.55 50.14 2dkz s ASP 14 Cb 0.08 -2.17 1.60 0.00 1.07 0.00 0.00 42.92 43.50 2dkz s ASP 14 CO 0.78 -0.50 2.13 -0.07 1.18 0.00 0.00 175.17 178.69 2dkz h LEU 15 N 7.51 0.00 -5.44 1.23 -0.00 -1.88 -3.22 115.31 113.50 2dkz h LEU 15 Ca 0.11 0.00 -0.66 0.00 -0.00 0.00 0.00 57.88 57.33 2dkz h LEU 15 Cb 1.00 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2dkz h LEU 15 CO 0.78 0.00 3.45 -1.54 -0.00 0.00 0.00 178.44 181.13 2dkz n SER 16 N -4.01 6.53 0.00 -0.43 3.41 -1.23 -3.33 113.62 114.57 2dkz n SER 16 Ca 0.01 -2.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.97 2dkz n SER 16 Cb 0.26 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 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 3.81 0.11 3.48 5.00 0.00 -1.22 -4.73 105.19 111.65 2dkz n GLY 17 Ca 0.66 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.74 0.98 -5.00 0.99 4.77 -1.21 -4.75 117.00 112.05 2dkz n LEU 18 Ca 0.00 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 2dkz n LEU 18 Cb 0.00 -1.26 0.09 0.00 -2.33 0.00 0.00 43.42 39.91 2dkz n LEU 18 CO 0.00 -3.11 0.48 -0.94 -1.33 0.00 0.00 177.39 172.49 2dkz s SER 19 N -1.85 4.64 0.34 -1.43 1.04 -1.26 -0.19 113.70 114.99 2dkz s SER 19 Ca 0.63 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.64 2dkz s SER 19 Cb -0.27 -0.04 0.61 0.00 0.10 0.00 0.00 66.02 66.42 2dkz s SER 19 CO 0.61 -1.65 1.95 0.40 0.98 0.00 0.00 173.24 175.54 2dkz h ILE 20 N -0.28 1.17 0.00 -1.02 2.04 -1.92 -1.47 117.51 116.03 2dkz h ILE 20 Ca -0.35 -0.48 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 2dkz h ILE 20 Cb 1.27 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2dkz h ILE 20 CO 0.41 0.20 -0.53 -0.33 0.00 0.00 0.00 178.15 177.90 2dkz h GLU 21 N 0.74 0.00 -0.10 2.37 5.08 -1.94 -3.20 114.58 117.52 2dkz h GLU 21 Ca 0.19 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.32 2dkz h GLU 21 Cb 0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.33 2dkz h GLU 21 CO -0.03 0.53 -0.83 0.93 -1.00 0.00 0.00 179.01 178.62 2dkz h GLU 22 N 0.00 0.74 -0.91 2.33 4.39 -1.70 -3.20 114.58 116.23 2dkz h GLU 22 Ca -0.01 -0.66 0.18 0.00 0.34 0.00 0.00 59.36 59.21 2dkz h GLU 22 Cb 1.13 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.86 2dkz h GLU 22 CO 0.07 1.26 0.59 0.28 -1.16 0.00 0.00 179.01 180.05 2dkz h VAL 23 N 0.45 0.74 -0.42 3.13 2.07 -1.30 0.22 116.25 121.14 2dkz h VAL 23 Ca -0.07 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.34 2dkz h VAL 23 Cb 1.47 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2dkz h VAL 23 CO 0.17 0.10 0.29 0.28 0.02 0.00 0.00 177.57 178.43 2dkz h SER 24 N 0.57 0.18 0.43 0.57 0.02 -1.62 -1.50 113.55 112.18 2dkz h SER 24 Ca 0.48 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.18 2dkz h SER 24 Cb 0.95 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.42 2dkz h SER 24 CO -0.22 0.11 -1.77 0.29 -1.14 0.00 0.00 176.83 174.10 2dkz n LYS 25 N -4.46 0.64 -0.17 3.45 5.02 0.57 -3.93 118.16 119.29 2dkz n LYS 25 Ca 0.06 0.17 -0.02 0.00 -2.02 0.00 0.00 58.31 56.50 2dkz n LYS 25 Cb 0.36 -1.72 0.08 0.00 -0.02 0.00 0.00 35.03 33.72 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 0.11 0.76 4.39 0.02 0.06 -0.50 113.55 118.40 2dkz h SER 26 Ca -0.28 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2dkz h SER 26 Cb 1.84 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 2dkz h SER 26 CO 0.05 0.09 -0.42 -0.07 -1.14 0.00 0.00 176.83 175.34 2dkz h LEU 27 N 0.31 0.00 -2.06 5.07 3.38 -1.68 -2.96 115.31 117.37 2dkz h LEU 27 Ca 0.26 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.33 2dkz h LEU 27 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2dkz h LEU 27 CO -0.30 0.42 0.28 -0.09 0.09 0.00 0.00 178.44 178.85 2dkz h ARG 28 N 0.00 0.00 -0.40 1.13 2.43 -1.21 -0.50 114.38 115.83 2dkz h ARG 28 Ca -0.00 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2dkz h ARG 28 Cb 0.91 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.41 2dkz h ARG 28 CO 0.05 0.00 0.07 0.35 -1.51 0.00 0.00 179.97 178.93 2dkz h PHE 29 N 0.00 0.11 0.00 2.20 3.57 -1.42 -2.46 116.94 118.94 2dkz h PHE 29 Ca 0.17 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.53 2dkz h PHE 29 Cb 0.73 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 2dkz h PHE 29 CO 0.00 -0.00 -1.10 -0.84 -2.23 0.00 0.00 178.31 174.13 2dkz h ILE 30 N 0.19 0.75 -2.27 1.41 3.07 -1.53 -3.49 117.51 115.65 2dkz h ILE 30 Ca 0.20 -2.25 0.00 0.00 1.55 0.00 0.00 64.86 64.35 2dkz h ILE 30 Cb 0.25 2.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 2dkz h ILE 30 CO -0.27 0.43 0.00 0.61 -1.05 0.00 0.00 178.15 177.87 2dkz n GLY 31 N 1.35 -0.74 3.25 0.16 0.00 -0.29 -5.11 105.19 103.81 2dkz n GLY 31 Ca -0.06 -0.27 -0.18 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.30 0.00 -4.76 0.99 4.77 -1.25 -5.04 117.00 111.42 2dkz n LEU 32 Ca 0.00 -2.20 -0.40 0.00 -0.03 0.00 0.00 56.01 53.37 2dkz n LEU 32 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 2dkz n LEU 32 CO 0.00 -0.63 0.83 -0.44 -1.33 0.00 0.00 177.39 175.82 2dkz s SER 33 N -3.91 7.17 0.37 -1.43 0.01 -1.26 -4.92 113.70 109.73 2dkz s SER 33 Ca 0.43 2.35 0.10 0.00 1.31 0.00 0.00 55.95 60.13 2dkz s SER 33 Cb -0.03 -2.63 0.85 0.00 0.21 0.00 0.00 66.02 64.41 2dkz s SER 33 CO 0.27 -0.22 1.90 -0.33 0.41 0.00 0.00 173.24 175.27 2dkz h GLU 34 N 3.73 0.63 -0.50 12.44 5.08 -2.00 -0.23 114.58 133.73 2dkz h GLU 34 Ca -0.47 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.75 2dkz h GLU 34 Cb 1.21 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2dkz h GLU 34 CO 0.67 0.42 -0.09 0.22 -1.00 0.00 0.00 179.01 179.23 2dkz h ASP 35 N 0.65 0.89 0.20 1.42 1.82 -1.99 -2.60 116.42 116.82 2dkz h ASP 35 Ca 0.41 -0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 2dkz h ASP 35 Cb 0.65 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2dkz h ASP 35 CO -0.17 1.00 -0.10 0.58 -1.61 0.00 0.00 179.24 178.94 2dkz h VAL 36 N 0.81 0.88 -0.16 2.25 2.07 -1.45 -0.95 116.25 119.70 2dkz h VAL 36 Ca 0.14 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.19 2dkz h VAL 36 Cb 0.60 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 2dkz h VAL 36 CO 0.04 0.12 -0.28 0.40 0.02 0.00 0.00 177.57 177.86 2dkz h ILE 37 N -0.53 0.35 0.00 4.57 2.04 -1.34 0.09 117.51 122.69 2dkz h ILE 37 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dkz h ILE 37 Cb 0.40 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2dkz h ILE 37 CO 0.05 0.00 -0.09 -1.28 0.00 0.00 0.00 178.15 176.82 2dkz h SER 38 N -0.34 0.00 0.22 1.72 0.87 -1.49 -1.44 113.55 113.10 2dkz h SER 38 Ca 0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2dkz h SER 38 Cb 0.50 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2dkz h SER 38 CO -0.35 0.09 -0.11 -0.26 -0.53 0.00 0.00 176.83 175.67 2dkz h PHE 39 N 0.00 0.00 0.00 2.24 0.04 0.46 -0.98 116.94 118.70 2dkz h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2dkz h PHE 39 Cb 0.20 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2dkz h PHE 39 CO 0.00 0.11 -0.06 0.74 -0.60 0.00 0.00 178.31 178.50 2dkz h PHE 40 N 0.00 0.00 -0.66 -0.55 -1.00 -0.92 -3.11 116.94 110.70 2dkz h PHE 40 Ca -0.00 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.87 2dkz h PHE 40 Cb 0.25 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.74 2dkz h PHE 40 CO 0.00 0.38 0.30 0.28 -1.61 0.00 0.00 178.31 177.66 2dkz h VAL 41 N -1.00 0.83 0.00 -0.55 2.07 -1.47 0.13 116.25 116.26 2dkz h VAL 41 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2dkz h VAL 41 Cb 0.40 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2dkz h VAL 41 CO -0.01 0.10 -0.08 0.00 0.02 0.00 0.00 177.57 177.60 2dkz h THR 42 N 0.53 0.55 -0.57 2.57 1.03 -1.33 -1.34 112.91 114.34 2dkz h THR 42 Ca 0.32 -0.38 -0.15 0.00 -0.01 0.00 0.00 66.41 66.19 2dkz h THR 42 Cb 0.35 1.25 -0.09 0.00 -1.07 0.00 0.00 68.15 68.59 2dkz h THR 42 CO -0.27 0.08 0.19 -0.62 -0.01 0.00 0.00 175.52 174.89 2dkz n GLU 43 N -3.69 3.32 -2.05 0.00 -0.58 0.21 -4.87 120.64 112.97 2dkz n GLU 43 Ca -0.02 -2.43 -0.16 0.00 -0.42 0.00 0.00 57.16 54.12 2dkz n GLU 43 Cb 0.19 -2.04 -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 0.03 -1.74 -2.38 3.49 4.81 -0.51 -4.89 118.16 116.97 2dkz n LYS 44 Ca 0.31 0.85 -0.43 0.00 -0.87 0.00 0.00 58.31 58.17 2dkz n LYS 44 Cb 1.15 -5.35 -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 -2.63 4.16 0.48 3.15 -1.09 0.15 -4.95 121.20 120.46 2dkz s ILE 45 Ca 0.00 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.79 2dkz s ILE 45 Cb 0.00 -4.01 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 2dkz s ILE 45 CO 0.00 -0.26 0.05 -0.90 -1.23 0.00 0.00 174.94 172.59 2dkz n ASP 46 N 7.12 3.23 -0.10 3.58 5.68 -1.26 -4.41 116.55 130.39 2dkz n ASP 46 Ca 0.15 -3.04 0.09 0.00 -0.50 0.00 0.00 54.79 51.49 2dkz n ASP 46 Cb 0.45 0.29 0.44 0.00 -1.14 0.00 0.00 41.12 41.16 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 1.07 0.70 2.00 6.12 0.00 -0.71 0.22 103.07 112.47 2dkz h GLY 47 Ca -0.38 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.61 2dkz h GLY 47 CO 0.63 0.16 -0.55 -0.57 0.00 0.00 0.00 176.54 176.21 2dkz h ASN 48 N 0.54 0.00 0.25 0.19 -1.24 -1.70 -3.19 115.58 110.43 2dkz h ASN 48 Ca 0.26 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.93 2dkz h ASN 48 Cb 0.33 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.41 2dkz h ASN 48 CO -0.08 0.55 -1.56 0.25 -1.29 0.00 0.00 177.43 175.31 2dkz h LEU 49 N 0.00 0.78 0.16 0.34 7.12 -1.48 -3.27 115.31 118.95 2dkz h LEU 49 Ca -0.01 -0.91 0.02 0.00 0.13 0.00 0.00 57.88 57.11 2dkz h LEU 49 Cb 1.27 -0.25 -0.04 0.00 -0.53 0.00 0.00 40.66 41.11 2dkz h LEU 49 CO 0.07 1.73 -0.32 0.25 -0.13 0.00 0.00 178.44 180.03 2dkz h LEU 50 N 0.14 -0.92 -2.12 2.25 5.85 -0.69 -0.23 115.31 119.58 2dkz h LEU 50 Ca -0.28 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.62 2dkz h LEU 50 Cb 2.15 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 43.51 2dkz h LEU 50 CO 0.25 -0.42 0.28 -0.37 -0.34 0.00 0.00 178.44 177.84 2dkz h VAL 51 N -0.57 0.51 0.04 1.05 -1.51 -1.70 0.63 116.25 114.70 2dkz h VAL 51 Ca 0.02 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.27 2dkz h VAL 51 Cb 0.58 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2dkz h VAL 51 CO -0.17 0.00 -1.02 1.56 -1.23 0.00 0.00 177.57 176.72 2dkz h GLN 52 N 0.00 0.21 -6.97 5.19 4.20 -1.18 -3.46 115.11 113.10 2dkz h GLN 52 Ca 0.13 -0.28 -0.56 0.00 0.06 0.00 0.00 58.65 58.01 2dkz h GLN 52 Cb 0.68 0.09 0.14 0.00 0.30 0.00 0.00 27.48 28.69 2dkz h GLN 52 CO -0.00 1.06 0.56 1.28 -0.67 0.00 0.00 178.83 181.05 2dkz n LEU 53 N -3.58 5.05 -4.38 1.46 4.77 0.21 -5.03 117.00 115.51 2dkz n LEU 53 Ca -0.05 1.01 -0.19 0.00 -0.03 0.00 0.00 56.01 56.75 2dkz n LEU 53 Cb 0.90 -1.55 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 2dkz n LEU 53 CO 0.50 -0.64 -0.35 0.42 -1.33 0.00 0.00 177.39 175.99 2dkz s THR 54 N -1.28 1.37 0.54 -5.08 -4.23 -1.26 -5.01 115.64 100.70 2dkz s THR 54 Ca 0.69 -2.08 0.21 0.00 -1.18 0.00 0.00 61.69 59.33 2dkz s THR 54 Cb -0.44 -2.39 0.31 0.00 1.34 0.00 0.00 72.50 71.33 2dkz s THR 54 CO 0.52 -0.32 2.15 -0.08 -0.54 0.00 0.00 174.62 176.35 2dkz h GLU 55 N 2.37 0.00 -0.04 3.99 4.81 -1.95 0.19 114.58 123.96 2dkz h GLU 55 Ca -0.39 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 2dkz h GLU 55 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2dkz h GLU 55 CO 0.66 0.00 -0.30 0.93 -0.73 0.00 0.00 179.01 179.57 2dkz h GLU 56 N 0.00 0.26 0.00 1.92 5.08 -1.99 -2.91 114.58 116.94 2dkz h GLU 56 Ca 0.04 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.05 2dkz h GLU 56 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2dkz h GLU 56 CO -0.00 0.91 -0.52 0.82 -1.00 0.00 0.00 179.01 179.22 2dkz h ILE 57 N -0.30 1.29 0.00 3.13 2.04 -1.81 0.18 117.51 122.03 2dkz h ILE 57 Ca -0.03 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 2dkz h ILE 57 Cb 0.99 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 2dkz h ILE 57 CO 0.06 0.51 -0.31 -0.07 0.00 0.00 0.00 178.15 178.33 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.68 -0.22 115.31 119.22 2dkz h LEU 58 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2dkz h LEU 58 Cb 0.96 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 2dkz h LEU 58 CO 0.07 0.31 -2.22 -0.24 0.09 0.00 0.00 178.44 176.44 2dkz n SER 59 N -3.61 0.04 -0.04 -0.43 2.88 -1.08 -0.30 113.62 111.08 2dkz n SER 59 Ca -0.01 0.02 -0.03 0.00 -1.33 0.00 0.00 58.87 57.52 2dkz n SER 59 Cb 0.44 1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 65.16 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 -0.02 0.00 -1.46 4.39 -0.58 -3.21 114.58 113.70 2dkz h GLU 60 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2dkz h GLU 60 Cb 1.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2dkz h GLU 60 CO 0.02 0.18 0.00 -0.25 -1.16 0.00 0.00 179.01 177.80 2dkz n ASP 61 N -4.76 0.00 -0.30 1.42 9.92 -0.11 -4.35 116.55 118.37 2dkz n ASP 61 Ca -0.02 0.29 0.07 0.00 -0.53 0.00 0.00 54.79 54.59 2dkz n ASP 61 Cb 0.10 -0.31 0.22 0.00 -0.64 0.00 0.00 41.12 40.49 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 0.84 -4.95 1.24 -1.00 -1.61 -3.46 116.94 108.00 2dkz h PHE 62 Ca 0.00 0.03 -0.40 0.00 2.81 0.00 0.00 57.97 60.41 2dkz h PHE 62 Cb 0.00 -0.24 0.03 0.00 3.61 0.00 0.00 35.95 39.35 2dkz h PHE 62 CO 0.00 0.24 -0.62 1.63 -1.61 0.00 0.00 178.31 177.96 2dkz n LYS 63 N -4.82 -4.99 -1.11 1.51 5.02 0.59 -4.95 118.16 109.42 2dkz n LYS 63 Ca 0.17 0.79 -0.30 0.00 -2.02 0.00 0.00 58.31 56.96 2dkz n LYS 63 Cb 0.40 -5.65 0.22 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 -6.76 0.98 0.67 -0.35 1.43 -1.00 -4.97 118.68 108.69 2dkz s LEU 64 Ca 0.38 0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.15 2dkz s LEU 64 Cb -0.18 -2.70 0.01 0.00 0.03 0.00 0.00 46.19 43.35 2dkz s LEU 64 CO 0.47 -3.81 1.14 -0.44 0.23 0.00 0.00 176.35 173.94 2dkz s SER 65 N -3.73 4.89 0.22 2.29 0.01 -1.26 -4.75 113.70 111.36 2dkz s SER 65 Ca 0.69 2.11 -0.07 0.00 1.31 0.00 0.00 55.95 59.99 2dkz s SER 65 Cb -0.13 -2.56 0.32 0.00 0.21 0.00 0.00 66.02 63.85 2dkz s SER 65 CO 0.57 -1.78 1.80 0.50 0.41 0.00 0.00 173.24 174.73 2dkz h LYS 66 N 0.01 0.65 -0.47 12.44 3.64 -1.99 0.91 116.57 131.76 2dkz h LYS 66 Ca -0.47 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 2dkz h LYS 66 Cb 1.26 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2dkz h LYS 66 CO 0.53 0.43 0.13 -0.07 -2.27 0.00 0.00 179.45 178.20 2dkz h LEU 67 N 0.67 0.64 0.13 5.20 -0.00 -1.99 -2.32 115.31 117.63 2dkz h LEU 67 Ca 0.34 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.12 2dkz h LEU 67 Cb 0.31 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2dkz h LEU 67 CO -0.24 0.62 -0.06 1.56 -0.00 0.00 0.00 178.44 180.33 2dkz h GLN 68 N 0.68 -0.16 -0.82 1.13 4.20 -1.54 -1.50 115.11 117.09 2dkz h GLN 68 Ca 0.16 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.10 2dkz h GLN 68 Cb 0.22 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 2dkz h GLN 68 CO -0.01 0.30 0.57 0.28 -0.67 0.00 0.00 178.83 179.31 2dkz h VAL 69 N -0.74 0.64 0.21 -0.54 2.07 -0.80 0.89 116.25 117.98 2dkz h VAL 69 Ca -0.02 -0.05 -0.32 0.00 0.82 0.00 0.00 66.70 67.13 2dkz h VAL 69 Cb 0.54 0.48 0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2dkz h VAL 69 CO 0.03 0.03 -1.43 0.50 0.02 0.00 0.00 177.57 176.72 2dkz h LYS 70 N 0.15 0.45 0.00 1.57 3.64 -1.39 -2.38 116.57 118.61 2dkz h LYS 70 Ca 0.41 -0.76 -0.05 0.00 -1.27 0.00 0.00 60.65 58.97 2dkz h LYS 70 Cb 1.37 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 2dkz h LYS 70 CO -0.07 1.36 -0.26 0.87 -2.27 0.00 0.00 179.45 179.09 2dkz h LYS 71 N 0.12 0.00 0.00 1.90 1.57 0.16 -1.86 116.57 118.47 2dkz h LYS 71 Ca -0.22 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 2dkz h LYS 71 Cb 2.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.41 2dkz h LYS 71 CO 0.25 0.26 -0.28 0.82 -0.57 0.00 0.00 179.45 179.92 2dkz h ILE 72 N 0.00 0.74 -0.74 1.86 2.04 -0.99 -3.04 117.51 117.38 2dkz h ILE 72 Ca -0.00 -1.63 0.12 0.00 1.00 0.00 0.00 64.86 64.35 2dkz h ILE 72 Cb 0.58 1.47 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 2dkz h ILE 72 CO 0.03 0.25 0.34 0.24 0.00 0.00 0.00 178.15 179.01 2dkz h MET 73 N -1.00 0.52 0.00 2.37 2.86 -1.45 0.16 114.93 118.38 2dkz h MET 73 Ca -0.06 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2dkz h MET 73 Cb 0.62 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2dkz h MET 73 CO -0.03 0.34 -0.27 -0.56 1.06 0.00 0.00 176.91 177.44 2dkz h GLN 74 N 0.53 0.00 -0.04 1.72 -0.00 -1.49 -2.59 115.11 113.24 2dkz h GLN 74 Ca 0.39 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.87 2dkz h GLN 74 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.98 2dkz h GLN 74 CO -0.34 0.27 -0.73 0.35 -0.00 0.00 0.00 178.83 178.39 2dkz h PHE 75 N 0.00 0.30 0.28 0.06 3.57 -0.61 0.43 116.94 120.97 2dkz h PHE 75 Ca -0.00 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.35 2dkz h PHE 75 Cb 0.60 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2dkz h PHE 75 CO 0.00 0.87 -0.14 0.82 -2.23 0.00 0.00 178.31 177.63 2dkz h ILE 76 N 0.15 0.00 0.00 1.41 2.04 -0.87 -3.30 117.51 116.94 2dkz h ILE 76 Ca -0.02 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 2dkz h ILE 76 Cb 1.29 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2dkz h ILE 76 CO 0.11 0.00 -0.23 0.78 0.00 0.00 0.00 178.15 178.81 2dkz h ASN 77 N -0.81 0.00 -0.60 1.72 2.35 -1.61 -2.67 115.58 113.96 2dkz h ASN 77 Ca -0.04 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.89 2dkz h ASN 77 Cb 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2dkz h ASN 77 CO 0.06 0.23 0.46 1.23 -1.65 0.00 0.00 177.43 177.76 2dkz h GLY 78 N 0.91 0.00 -7.19 2.83 0.00 -0.99 -3.37 103.07 95.26 2dkz h GLY 78 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 2dkz h GLY 78 CO 0.03 0.00 -0.09 -0.56 0.00 0.00 0.00 176.54 175.92 2dkz s SER 79 N -5.89 6.29 0.00 0.19 0.01 -1.01 -4.99 113.70 108.31 2dkz s SER 79 Ca -0.05 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dkz s SER 79 Cb 0.19 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2dkz s SER 79 CO 0.71 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2dkz n GLY 80 N 4.84 0.67 3.73 3.44 0.00 -1.25 -4.83 105.19 111.80 2dkz n GLY 80 Ca -0.05 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.00 4.38 -0.09 1.61 0.04 -1.26 -5.03 135.00 132.65 2dkz s PRO 81 Ca 0.00 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.04 2dkz s PRO 81 Cb 0.00 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.37 2dkz s PRO 81 CO 0.00 -0.28 0.20 0.45 0.04 0.00 0.00 177.00 177.41 2dkz s SER 82 N 0.50 -0.20 -1.43 6.66 0.15 -1.26 -4.86 113.70 113.27 2dkz s SER 82 Ca 0.58 0.43 -0.04 0.00 0.70 0.00 0.00 55.95 57.61 2dkz s SER 82 Cb -0.36 0.32 0.02 0.00 -1.71 0.00 0.00 66.02 64.30 2dkz s SER 82 CO 0.36 -0.15 0.38 -0.24 1.20 0.00 0.00 173.24 174.79 2dkz n SER 83 N 4.10 -5.04 0.00 5.45 2.88 -1.26 -5.31 113.62 114.44 2dkz n SER 83 Ca -0.25 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 2dkz n SER 83 Cb 0.53 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42