#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 6.43 0.35 1.61 0.01 -1.26 -4.95 113.70 115.89 2dkz s SER 2 Ca 0.00 0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.77 2dkz s SER 2 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2dkz s SER 2 CO 0.00 -0.16 0.00 -1.20 0.41 0.00 0.00 173.24 172.29 2dkz n SER 3 N 4.93 -7.17 0.00 2.44 7.64 -1.26 -5.02 113.62 115.18 2dkz n SER 3 Ca -0.07 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.01 2dkz n SER 3 Cb 0.51 -3.37 0.00 0.00 -1.01 0.00 0.00 64.21 60.34 2dkz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 4 N -3.40 -2.18 3.45 0.23 0.00 -1.26 -4.78 105.19 97.26 2dkz n GLY 4 Ca 0.01 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 2dkz n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkz s SER 5 N -3.44 6.15 0.29 1.61 0.15 -1.26 -5.03 113.70 112.17 2dkz s SER 5 Ca 0.00 -0.95 -0.13 0.00 0.70 0.00 0.00 55.95 55.57 2dkz s SER 5 Cb 0.00 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 2dkz s SER 5 CO 0.00 -0.56 0.57 -0.44 1.20 0.00 0.00 173.24 174.02 2dkz s SER 6 N 1.99 0.06 0.00 5.45 0.01 -1.26 -5.06 113.70 114.89 2dkz s SER 6 Ca 0.07 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2dkz s SER 6 Cb -0.20 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2dkz s SER 6 CO 0.10 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 173.07 2dkz n GLY 7 N -0.45 -0.15 3.69 3.44 0.00 -1.26 -5.01 105.19 105.45 2dkz n GLY 7 Ca -0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.89 4.27 0.11 1.61 0.04 -1.26 -5.02 135.00 132.87 2dkz s PRO 8 Ca 0.00 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2dkz s PRO 8 Cb 0.00 -3.55 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 2dkz s PRO 8 CO 0.00 -0.59 0.45 -0.46 0.04 0.00 0.00 177.00 176.44 2dkz s TRP 9 N 2.34 3.58 0.10 0.56 -0.00 -1.26 -5.10 118.94 119.16 2dkz s TRP 9 Ca 0.65 0.86 -0.09 0.00 -0.00 0.00 0.00 56.10 57.53 2dkz s TRP 9 Cb -0.33 -2.22 -0.00 0.00 -0.00 0.00 0.00 33.47 30.92 2dkz s TRP 9 CO 0.28 0.48 0.20 -0.65 -0.00 0.00 0.00 176.95 177.25 2dkz s GLN 10 N -2.00 0.88 0.57 5.86 -0.21 -1.26 -5.04 119.66 118.45 2dkz s GLN 10 Ca 0.35 -0.98 -0.19 0.00 0.02 0.00 0.00 55.36 54.57 2dkz s GLN 10 Cb -0.14 0.35 -0.05 0.00 1.00 0.00 0.00 33.01 34.17 2dkz s GLN 10 CO 0.19 -0.28 1.13 -1.25 -2.12 0.00 0.00 175.29 172.95 2dkz s PRO 11 N -3.87 3.25 0.32 2.91 0.04 -1.26 -5.05 135.00 131.34 2dkz s PRO 11 Ca 0.06 1.57 -0.05 0.00 0.04 0.00 0.00 61.00 62.62 2dkz s PRO 11 Cb 0.05 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2dkz s PRO 11 CO -0.10 -0.93 0.28 -0.35 0.04 0.00 0.00 177.00 175.95 2dkz n PRO 12 N -1.52 -1.58 -0.01 0.56 -0.04 -1.26 -4.97 135.00 126.19 2dkz n PRO 12 Ca 0.11 -0.45 -0.18 0.00 -0.04 0.00 0.00 63.50 62.94 2dkz n PRO 12 Cb 0.51 -0.43 -0.07 0.00 -0.04 0.00 0.00 33.50 33.47 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 -2.19 0.28 -3.56 0.55 0.00 -2.05 -3.44 119.26 108.86 2dkz h ALA 13 Ca -0.11 -0.62 -0.67 0.00 0.00 0.00 0.00 54.91 53.51 2dkz h ALA 13 Cb 0.33 -0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.92 2dkz h ALA 13 CO 0.07 0.69 -0.69 -0.51 0.00 0.00 0.00 179.25 178.81 2dkz s ASP 14 N -7.15 4.68 -0.33 0.00 1.01 -1.26 -5.00 116.67 108.63 2dkz s ASP 14 Ca -0.10 -0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.18 2dkz s ASP 14 Cb 0.08 -1.33 0.64 0.00 1.01 0.00 0.00 42.92 43.33 2dkz s ASP 14 CO 0.91 0.32 1.73 0.18 0.21 0.00 0.00 175.17 178.52 2dkz n LEU 15 N 2.53 5.89 -3.89 1.23 4.77 -1.26 -4.69 117.00 121.59 2dkz n LEU 15 Ca -0.18 -3.09 -0.36 0.00 -0.03 0.00 0.00 56.01 52.35 2dkz n LEU 15 Cb 0.53 -0.75 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 2dkz n LEU 15 CO 0.28 0.83 0.57 -0.24 -1.33 0.00 0.00 177.39 177.51 2dkz n SER 16 N -0.38 4.94 0.00 -1.43 2.88 -1.26 -3.63 113.62 114.73 2dkz n SER 16 Ca 0.42 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 2dkz n SER 16 Cb 1.37 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2dkz n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 17 N 1.56 0.21 3.49 0.46 0.00 -1.26 -4.83 105.19 104.82 2dkz n GLY 17 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.92 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 1.20 -4.98 0.99 4.77 -1.26 -4.78 117.00 112.94 2dkz n LEU 18 Ca 0.00 0.57 -0.21 0.00 -0.03 0.00 0.00 56.01 56.35 2dkz n LEU 18 Cb 0.00 -1.25 0.01 0.00 -2.33 0.00 0.00 43.42 39.85 2dkz n LEU 18 CO 0.00 -2.98 0.24 -0.44 -1.33 0.00 0.00 177.39 172.88 2dkz s SER 19 N -1.58 5.68 0.51 -1.43 0.01 -1.26 -1.02 113.70 114.62 2dkz s SER 19 Ca 0.66 -0.01 0.28 0.00 1.31 0.00 0.00 55.95 58.18 2dkz s SER 19 Cb -0.33 -1.15 1.39 0.00 0.21 0.00 0.00 66.02 66.14 2dkz s SER 19 CO 0.58 -0.77 1.90 0.40 0.41 0.00 0.00 173.24 175.76 2dkz h ILE 20 N 0.45 0.61 -0.00 1.44 2.04 -1.92 -1.02 117.51 119.11 2dkz h ILE 20 Ca -0.44 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 2dkz h ILE 20 Cb 1.27 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2dkz h ILE 20 CO 0.53 0.01 -0.08 -0.08 0.00 0.00 0.00 178.15 178.53 2dkz h GLU 21 N 0.08 0.06 -0.74 2.37 4.81 -1.93 -3.26 114.58 115.97 2dkz h GLU 21 Ca 0.40 -0.06 0.15 0.00 -0.13 0.00 0.00 59.36 59.72 2dkz h GLU 21 Cb 1.46 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.81 2dkz h GLU 21 CO -0.04 0.83 0.49 0.93 -0.73 0.00 0.00 179.01 180.50 2dkz h GLU 22 N -0.70 0.36 -0.62 1.92 3.07 -1.60 -0.87 114.58 116.15 2dkz h GLU 22 Ca -0.01 -0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 2dkz h GLU 22 Cb 0.86 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 2dkz h GLU 22 CO 0.02 0.24 0.40 0.28 -1.40 0.00 0.00 179.01 178.55 2dkz h VAL 23 N 0.37 1.13 -0.84 3.13 2.07 -1.36 0.98 116.25 121.73 2dkz h VAL 23 Ca 0.36 -0.28 0.21 0.00 0.82 0.00 0.00 66.70 67.81 2dkz h VAL 23 Cb 0.87 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2dkz h VAL 23 CO -0.11 0.15 0.58 0.28 0.02 0.00 0.00 177.57 178.49 2dkz h SER 24 N 0.81 0.23 0.58 0.57 0.02 -1.21 0.95 113.55 115.49 2dkz h SER 24 Ca 0.23 0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 61.00 2dkz h SER 24 Cb -0.06 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 2dkz h SER 24 CO -0.07 0.09 -1.57 0.29 -1.14 0.00 0.00 176.83 174.43 2dkz n LYS 25 N -4.42 0.63 -0.21 3.45 5.02 -0.71 -3.96 118.16 117.97 2dkz n LYS 25 Ca 0.18 0.21 -0.01 0.00 -2.02 0.00 0.00 58.31 56.67 2dkz n LYS 25 Cb 0.76 -1.78 0.10 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.34 0.54 4.39 0.02 0.17 -0.77 113.55 118.23 2dkz h SER 26 Ca -0.22 0.06 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 2dkz h SER 26 Cb 1.72 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 2dkz h SER 26 CO 0.05 0.21 -0.48 -0.07 -1.14 0.00 0.00 176.83 175.40 2dkz h LEU 27 N 0.50 0.00 -1.79 5.07 3.38 -1.64 -2.96 115.31 117.87 2dkz h LEU 27 Ca 0.30 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.47 2dkz h LEU 27 Cb 0.30 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2dkz h LEU 27 CO -0.25 0.48 0.56 -0.09 0.09 0.00 0.00 178.44 179.23 2dkz h ARG 28 N 0.00 0.18 -0.17 1.13 2.43 -1.26 -0.18 114.38 116.51 2dkz h ARG 28 Ca -0.00 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2dkz h ARG 28 Cb 0.88 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.33 2dkz h ARG 28 CO 0.06 0.12 -0.24 0.35 -1.51 0.00 0.00 179.97 178.75 2dkz h PHE 29 N 0.18 -0.64 0.00 2.20 3.57 -1.47 -2.23 116.94 118.54 2dkz h PHE 29 Ca 0.40 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.76 2dkz h PHE 29 Cb 1.29 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 40.32 2dkz h PHE 29 CO -0.00 -0.32 -0.81 -0.84 -2.23 0.00 0.00 178.31 174.11 2dkz h ILE 30 N -0.28 1.41 -2.10 1.41 3.07 -1.49 -3.49 117.51 116.03 2dkz h ILE 30 Ca 0.11 -2.93 0.00 0.00 1.55 0.00 0.00 64.86 63.60 2dkz h ILE 30 Cb 0.46 2.65 0.00 0.00 -0.27 0.00 0.00 36.82 39.66 2dkz h ILE 30 CO -0.34 0.79 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 2dkz n GLY 31 N 1.22 -1.25 3.91 0.16 0.00 -0.18 -5.12 105.19 103.93 2dkz n GLY 31 Ca 0.01 -0.34 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.32 2.70 0.48 0.99 1.43 -1.25 -5.04 118.68 117.68 2dkz s LEU 32 Ca 0.00 -1.24 -0.22 0.00 -1.03 0.00 0.00 54.13 51.64 2dkz s LEU 32 Cb 0.00 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.95 2dkz s LEU 32 CO 0.00 -1.13 1.15 -0.55 0.23 0.00 0.00 176.35 176.05 2dkz s SER 33 N -4.31 6.10 0.58 2.29 0.15 -1.26 -4.91 113.70 112.33 2dkz s SER 33 Ca 0.35 2.25 0.27 0.00 0.70 0.00 0.00 55.95 59.52 2dkz s SER 33 Cb -0.02 -2.60 1.71 0.00 -1.71 0.00 0.00 66.02 63.40 2dkz s SER 33 CO 0.22 -0.96 2.23 -0.33 1.20 0.00 0.00 173.24 175.60 2dkz h GLU 34 N 1.85 0.00 -0.06 5.44 5.08 -2.01 -1.64 114.58 123.24 2dkz h GLU 34 Ca -0.49 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.62 2dkz h GLU 34 Cb 1.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.51 2dkz h GLU 34 CO 0.59 0.00 -0.93 -0.44 -1.00 0.00 0.00 179.01 177.24 2dkz h ASP 35 N 0.00 0.89 0.08 1.42 3.32 -1.99 -3.08 116.42 117.06 2dkz h ASP 35 Ca 0.00 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 2dkz h ASP 35 Cb 0.01 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2dkz h ASP 35 CO -0.00 1.46 -0.04 0.58 -1.72 0.00 0.00 179.24 179.52 2dkz h VAL 36 N 0.44 0.97 0.21 -1.35 2.07 -1.68 -0.45 116.25 116.46 2dkz h VAL 36 Ca -0.09 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2dkz h VAL 36 Cb 1.57 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2dkz h VAL 36 CO 0.18 0.04 -0.45 0.40 0.02 0.00 0.00 177.57 177.77 2dkz h ILE 37 N -0.18 0.12 -0.14 4.57 2.04 -1.57 -1.01 117.51 121.35 2dkz h ILE 37 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2dkz h ILE 37 Cb 0.15 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2dkz h ILE 37 CO 0.02 0.00 0.11 -1.28 0.00 0.00 0.00 178.15 176.99 2dkz h SER 38 N -0.74 0.00 0.10 1.72 0.87 -1.52 -0.04 113.55 113.94 2dkz h SER 38 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2dkz h SER 38 Cb 0.73 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 2dkz h SER 38 CO -0.20 0.00 -0.05 -0.26 -0.53 0.00 0.00 176.83 175.79 2dkz h PHE 39 N 0.00 0.00 0.10 2.24 0.04 0.30 0.92 116.94 120.54 2dkz h PHE 39 Ca 0.06 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.54 2dkz h PHE 39 Cb 0.28 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2dkz h PHE 39 CO 0.00 0.05 -1.53 0.74 -0.60 0.00 0.00 178.31 176.96 2dkz h PHE 40 N 0.00 0.37 -0.26 -0.55 -1.00 -0.75 -3.20 116.94 111.55 2dkz h PHE 40 Ca -0.00 -0.27 -0.06 0.00 2.81 0.00 0.00 57.97 60.45 2dkz h PHE 40 Cb 0.11 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2dkz h PHE 40 CO 0.00 1.60 -0.10 0.28 -1.61 0.00 0.00 178.31 178.48 2dkz h VAL 41 N -0.34 1.21 0.00 -0.55 2.07 -1.19 0.25 116.25 117.70 2dkz h VAL 41 Ca -0.34 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 2dkz h VAL 41 Cb 1.75 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 2dkz h VAL 41 CO 0.02 0.29 -0.37 0.00 0.02 0.00 0.00 177.57 177.53 2dkz h THR 42 N 0.40 0.75 -0.56 2.57 1.03 -0.97 -3.01 112.91 113.11 2dkz h THR 42 Ca 0.08 -1.65 -0.13 0.00 -0.01 0.00 0.00 66.41 64.70 2dkz h THR 42 Cb 0.43 2.07 -0.08 0.00 -1.07 0.00 0.00 68.15 69.50 2dkz h THR 42 CO 0.02 0.36 0.16 -0.62 -0.01 0.00 0.00 175.52 175.43 2dkz n GLU 43 N -3.35 3.44 -2.32 0.00 -0.58 -0.87 -4.88 120.64 112.08 2dkz n GLU 43 Ca 0.01 -2.45 -0.14 0.00 -0.42 0.00 0.00 57.16 54.16 2dkz n GLU 43 Cb 0.57 -2.05 -0.01 0.00 -0.57 0.00 0.00 31.44 29.38 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 0.09 -2.06 -2.58 3.49 3.00 -1.14 -4.89 118.16 114.08 2dkz n LYS 44 Ca 0.30 0.67 -0.43 0.00 -0.00 0.00 0.00 58.31 58.85 2dkz n LYS 44 Cb 1.13 -5.24 -0.02 0.00 0.00 0.00 0.00 35.03 30.90 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 -2.62 4.54 0.02 3.15 -1.09 0.84 -4.97 121.20 121.07 2dkz s ILE 45 Ca 0.00 1.84 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 2dkz s ILE 45 Cb 0.00 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.69 2dkz s ILE 45 CO 0.00 -0.07 0.00 -0.90 -1.23 0.00 0.00 174.94 172.74 2dkz n ASP 46 N 5.71 1.89 0.18 3.58 5.75 -1.26 -4.38 116.55 128.01 2dkz n ASP 46 Ca 0.11 -1.08 -0.14 0.00 -0.01 0.00 0.00 54.79 53.66 2dkz n ASP 46 Cb 0.47 0.02 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.05 -0.40 2.00 6.12 0.00 -1.26 0.18 103.07 109.76 2dkz h GLY 47 Ca -0.02 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 2dkz h GLY 47 CO 0.03 -0.15 -0.00 -0.57 0.00 0.00 0.00 176.54 175.85 2dkz h ASN 48 N -0.42 0.00 0.09 0.19 -1.24 -1.71 -2.28 115.58 110.21 2dkz h ASN 48 Ca -0.04 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 56.80 2dkz h ASN 48 Cb 0.32 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.39 2dkz h ASN 48 CO 0.06 0.00 -0.74 0.25 -1.29 0.00 0.00 177.43 175.72 2dkz h LEU 49 N 0.00 0.49 -0.16 0.34 7.12 -1.76 -3.17 115.31 118.16 2dkz h LEU 49 Ca -0.00 -0.89 0.04 0.00 0.13 0.00 0.00 57.88 57.17 2dkz h LEU 49 Cb 0.01 -0.16 -0.05 0.00 -0.53 0.00 0.00 40.66 39.94 2dkz h LEU 49 CO 0.00 1.33 -0.12 0.25 -0.13 0.00 0.00 178.44 179.77 2dkz h LEU 50 N -0.28 -0.39 -2.15 2.25 5.85 -0.11 0.27 115.31 120.75 2dkz h LEU 50 Ca -0.12 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.72 2dkz h LEU 50 Cb 1.53 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 2dkz h LEU 50 CO 0.14 -0.16 0.09 -0.37 -0.34 0.00 0.00 178.44 177.80 2dkz h VAL 51 N -0.13 0.77 0.00 1.05 -1.51 -1.57 -0.44 116.25 114.42 2dkz h VAL 51 Ca 0.10 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.40 2dkz h VAL 51 Cb 0.28 0.94 -0.02 0.00 -2.13 0.00 0.00 31.29 30.35 2dkz h VAL 51 CO -0.24 0.00 -0.81 1.56 -1.23 0.00 0.00 177.57 176.84 2dkz h GLN 52 N 0.00 0.00 -6.91 5.19 4.20 -1.06 -3.45 115.11 113.08 2dkz h GLN 52 Ca 0.05 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.23 2dkz h GLN 52 Cb 0.22 0.00 0.08 0.00 0.30 0.00 0.00 27.48 28.08 2dkz h GLN 52 CO -0.00 0.81 0.64 -0.51 -0.67 0.00 0.00 178.83 179.10 2dkz s LEU 53 N -6.69 4.34 0.30 1.46 1.43 -0.09 -5.03 118.68 114.40 2dkz s LEU 53 Ca 0.02 2.71 0.07 0.00 -1.03 0.00 0.00 54.13 55.90 2dkz s LEU 53 Cb 0.09 -3.75 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 2dkz s LEU 53 CO 0.79 -0.69 -0.04 0.42 0.23 0.00 0.00 176.35 177.06 2dkz s THR 54 N -1.18 1.67 0.44 5.49 -4.23 -1.26 -4.99 115.64 111.57 2dkz s THR 54 Ca 0.52 -2.11 0.16 0.00 -1.18 0.00 0.00 61.69 59.08 2dkz s THR 54 Cb -0.40 -2.55 0.35 0.00 1.34 0.00 0.00 72.50 71.24 2dkz s THR 54 CO 0.52 -0.23 1.95 -0.08 -0.54 0.00 0.00 174.62 176.24 2dkz h GLU 55 N 2.20 0.37 -0.22 3.99 4.81 -1.96 0.20 114.58 123.97 2dkz h GLU 55 Ca -0.40 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.72 2dkz h GLU 55 Cb 1.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 2dkz h GLU 55 CO 0.69 0.24 -0.18 0.93 -0.73 0.00 0.00 179.01 179.96 2dkz h GLU 56 N 0.38 0.51 0.00 1.92 5.08 -1.98 -1.70 114.58 118.79 2dkz h GLU 56 Ca 0.32 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2dkz h GLU 56 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2dkz h GLU 56 CO -0.09 0.83 -0.38 0.82 -1.00 0.00 0.00 179.01 179.19 2dkz h ILE 57 N 0.20 0.92 0.00 3.13 2.04 -1.65 0.24 117.51 122.39 2dkz h ILE 57 Ca 0.04 -1.53 -0.12 0.00 1.00 0.00 0.00 64.86 64.25 2dkz h ILE 57 Cb 0.72 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.71 2dkz h ILE 57 CO 0.05 0.38 -0.58 -0.07 0.00 0.00 0.00 178.15 177.93 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.56 -1.29 115.31 118.28 2dkz h LEU 58 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2dkz h LEU 58 Cb 0.89 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 2dkz h LEU 58 CO 0.05 0.58 -1.98 -0.24 0.09 0.00 0.00 178.44 176.94 2dkz n SER 59 N -3.32 0.33 -0.06 -0.43 2.88 -0.65 -0.34 113.62 112.04 2dkz n SER 59 Ca 0.01 0.15 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 2dkz n SER 59 Cb 0.73 0.85 -0.01 0.00 -0.75 0.00 0.00 64.21 65.03 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 5.08 -0.59 -3.26 114.58 114.35 2dkz h GLU 60 Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2dkz h GLU 60 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2dkz h GLU 60 CO 0.03 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 2dkz n ASP 61 N -4.55 0.00 -0.33 1.42 8.00 -0.51 -4.17 116.55 116.41 2dkz n ASP 61 Ca -0.03 0.44 0.09 0.00 0.71 0.00 0.00 54.79 56.00 2dkz n ASP 61 Cb 0.11 -0.36 0.26 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.98 -2.91 1.24 0.04 -1.56 -3.45 116.94 111.27 2dkz h PHE 62 Ca 0.00 0.03 -0.39 0.00 2.80 0.00 0.00 57.97 60.41 2dkz h PHE 62 Cb 0.00 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 2dkz h PHE 62 CO 0.03 0.28 -0.49 1.17 -0.60 0.00 0.00 178.31 178.70 2dkz n LYS 63 N -4.76 -1.74 -0.70 1.51 4.81 0.54 -4.95 118.16 112.87 2dkz n LYS 63 Ca 0.20 0.97 -0.28 0.00 -0.87 0.00 0.00 58.31 58.32 2dkz n LYS 63 Cb 0.45 -5.59 0.24 0.00 0.02 0.00 0.00 35.03 30.15 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 -5.82 0.84 1.08 3.14 1.43 -0.94 -4.97 118.68 113.44 2dkz s LEU 64 Ca 0.00 1.36 -0.12 0.00 -1.03 0.00 0.00 54.13 54.34 2dkz s LEU 64 Cb 0.00 -3.29 0.24 0.00 0.03 0.00 0.00 46.19 43.17 2dkz s LEU 64 CO 0.00 -4.06 1.06 -0.44 0.23 0.00 0.00 176.35 173.15 2dkz s SER 65 N -2.79 1.69 0.31 2.29 0.01 -1.26 -4.75 113.70 109.20 2dkz s SER 65 Ca 0.68 1.65 0.04 0.00 1.31 0.00 0.00 55.95 59.63 2dkz s SER 65 Cb -0.23 -2.33 0.52 0.00 0.21 0.00 0.00 66.02 64.19 2dkz s SER 65 CO 0.63 -3.78 1.80 0.50 0.41 0.00 0.00 173.24 172.80 2dkz h LYS 66 N -2.33 0.47 -0.07 12.44 3.64 -1.99 -2.23 116.57 126.49 2dkz h LYS 66 Ca -0.56 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 58.60 2dkz h LYS 66 Cb 1.31 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2dkz h LYS 66 CO 0.49 0.61 -0.27 1.25 -2.27 0.00 0.00 179.45 179.26 2dkz h LEU 67 N 0.44 0.36 0.46 5.20 7.12 -1.99 -2.92 115.31 123.99 2dkz h LEU 67 Ca 0.08 -0.63 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 2dkz h LEU 67 Cb 0.50 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 2dkz h LEU 67 CO 0.03 0.92 -0.40 1.56 -0.13 0.00 0.00 178.44 180.43 2dkz h GLN 68 N -0.18 -0.83 -0.65 1.25 4.20 -1.89 0.15 115.11 117.16 2dkz h GLN 68 Ca -0.01 0.06 0.19 0.00 0.06 0.00 0.00 58.65 58.94 2dkz h GLN 68 Cb 0.90 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 2dkz h GLN 68 CO 0.06 -0.55 0.48 0.28 -0.67 0.00 0.00 178.83 178.43 2dkz h VAL 69 N -0.86 0.63 0.05 -0.54 2.07 -1.51 0.30 116.25 116.39 2dkz h VAL 69 Ca -0.05 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.24 2dkz h VAL 69 Cb 0.74 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2dkz h VAL 69 CO -0.03 0.00 -1.08 0.50 0.02 0.00 0.00 177.57 176.98 2dkz h LYS 70 N 0.00 0.12 0.10 1.57 3.11 -1.11 -2.71 116.57 117.65 2dkz h LYS 70 Ca 0.31 -0.20 -0.29 0.00 -2.81 0.00 0.00 60.65 57.66 2dkz h LYS 70 Cb 1.27 0.07 0.03 0.00 -1.00 0.00 0.00 32.23 32.59 2dkz h LYS 70 CO -0.00 1.08 -1.21 -0.22 -2.81 0.00 0.00 179.45 176.29 2dkz h LYS 71 N 0.04 0.59 -0.32 1.90 3.64 0.22 -2.99 116.57 119.65 2dkz h LYS 71 Ca -0.06 -0.77 -0.07 0.00 -1.27 0.00 0.00 60.65 58.48 2dkz h LYS 71 Cb 1.82 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.88 2dkz h LYS 71 CO 0.16 1.34 -0.07 0.82 -2.27 0.00 0.00 179.45 179.44 2dkz h ILE 72 N 0.27 1.28 -0.48 2.00 2.04 -0.68 -2.88 117.51 119.06 2dkz h ILE 72 Ca -0.17 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.60 2dkz h ILE 72 Cb 1.87 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 39.27 2dkz h ILE 72 CO 0.23 0.36 0.30 0.24 0.00 0.00 0.00 178.15 179.27 2dkz h MET 73 N 0.39 0.58 0.00 2.37 2.86 -1.58 -1.18 114.93 118.37 2dkz h MET 73 Ca 0.08 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2dkz h MET 73 Cb 0.55 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 2dkz h MET 73 CO 0.03 0.39 -0.00 1.96 1.06 0.00 0.00 176.91 180.35 2dkz h GLN 74 N 0.60 0.00 0.10 1.72 4.20 -1.47 -1.51 115.11 118.75 2dkz h GLN 74 Ca 0.19 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 2dkz h GLN 74 Cb -0.01 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.79 2dkz h GLN 74 CO -0.07 0.00 -1.21 0.35 -0.67 0.00 0.00 178.83 177.23 2dkz h PHE 75 N 0.00 1.02 0.52 2.96 3.57 -1.02 -1.67 116.94 122.31 2dkz h PHE 75 Ca -0.00 -0.62 -0.03 0.00 3.53 0.00 0.00 57.97 60.85 2dkz h PHE 75 Cb 0.00 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.66 2dkz h PHE 75 CO 0.00 1.46 -0.25 0.82 -2.23 0.00 0.00 178.31 178.11 2dkz h ILE 76 N 0.30 0.28 0.63 1.41 2.04 -0.62 -3.34 117.51 118.22 2dkz h ILE 76 Ca -0.18 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.20 2dkz h ILE 76 Cb 1.88 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 2dkz h ILE 76 CO 0.23 0.05 -0.30 0.78 0.00 0.00 0.00 178.15 178.91 2dkz h ASN 77 N -1.04 -0.71 0.00 1.72 2.35 -1.46 -3.48 115.58 112.96 2dkz h ASN 77 Ca -0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2dkz h ASN 77 Cb 0.61 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.16 2dkz h ASN 77 CO 0.12 -0.42 0.00 0.61 -1.65 0.00 0.00 177.43 176.09 2dkz n GLY 78 N -1.05 3.00 3.77 2.83 0.00 -0.63 -5.04 105.19 108.07 2dkz n GLY 78 Ca -0.13 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 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 0.43 6.25 -0.42 1.61 0.01 -1.26 -4.98 113.70 115.34 2dkz s SER 79 Ca 0.00 2.87 0.01 0.00 1.31 0.00 0.00 55.95 60.14 2dkz s SER 79 Cb 0.00 -2.65 0.23 0.00 0.21 0.00 0.00 66.02 63.81 2dkz s SER 79 CO 0.00 -0.92 1.00 0.61 0.41 0.00 0.00 173.24 174.34 2dkz n GLY 80 N 0.59 -1.00 0.27 3.44 0.00 -1.26 -4.95 105.19 102.28 2dkz n GLY 80 Ca 0.03 0.72 0.16 0.00 0.00 0.00 0.00 46.02 46.93 2dkz n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkz h PRO 81 N 4.06 0.00 -0.46 1.61 0.13 -2.05 -3.14 132.00 132.15 2dkz h PRO 81 Ca -0.09 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.08 2dkz h PRO 81 Cb 1.13 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.22 2dkz h PRO 81 CO 0.01 0.04 0.22 0.77 -0.23 0.00 0.00 178.00 178.81 2dkz h SER 82 N 0.00 0.30 -5.65 1.44 0.02 -2.03 -3.47 113.55 104.17 2dkz h SER 82 Ca -0.00 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2dkz h SER 82 Cb 0.52 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2dkz h SER 82 CO 0.01 0.22 -0.47 -0.24 -1.14 0.00 0.00 176.83 175.20 2dkz n SER 83 N -4.92 -7.23 0.00 3.07 2.88 -1.19 -5.35 113.62 100.88 2dkz n SER 83 Ca 0.03 0.04 0.02 0.00 -1.33 0.00 0.00 58.87 57.64 2dkz n SER 83 Cb 0.13 -4.47 0.12 0.00 -0.75 0.00 0.00 64.21 59.24 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42