#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 6.96 -0.75 1.61 0.01 -1.26 -5.00 113.70 115.27 2dkz s SER 2 Ca 0.00 1.15 -0.26 0.00 1.31 0.00 0.00 55.95 58.14 2dkz s SER 2 Cb 0.00 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2dkz s SER 2 CO 0.00 -0.07 1.44 -0.44 0.41 0.00 0.00 173.24 174.58 2dkz s SER 3 N 0.61 5.98 0.42 2.44 0.01 -1.26 -4.99 113.70 116.91 2dkz s SER 3 Ca 0.35 -0.40 -0.24 0.00 1.31 0.00 0.00 55.95 56.97 2dkz s SER 3 Cb -0.18 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.41 2dkz s SER 3 CO 0.17 -1.95 1.09 -0.83 0.41 0.00 0.00 173.24 172.13 2dkz s GLY 4 N 4.91 2.75 0.25 3.44 0.00 -1.26 -4.85 107.32 112.56 2dkz s GLY 4 Ca 0.44 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.94 2dkz s GLY 4 CO 0.13 1.22 0.00 -1.26 0.00 0.00 0.00 173.10 173.19 2dkz n SER 5 N -0.18 -7.93 0.02 1.64 2.88 -1.26 -4.94 113.62 103.84 2dkz n SER 5 Ca 0.06 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2dkz n SER 5 Cb 0.49 -3.22 0.00 0.00 -0.75 0.00 0.00 64.21 60.73 2dkz n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dkz n SER 6 N -3.93 0.17 0.00 -3.46 3.41 -1.26 -5.18 113.62 103.38 2dkz n SER 6 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dkz n SER 6 Cb 0.49 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dkz n GLY 7 N 2.95 -1.87 3.77 5.00 0.00 -1.26 -5.15 105.19 108.64 2dkz n GLY 7 Ca 0.00 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.88 3.72 0.00 1.61 0.04 -1.26 -5.06 135.00 132.18 2dkz s PRO 8 Ca 0.00 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 2dkz s PRO 8 Cb 0.00 -2.37 -0.00 0.00 0.04 0.00 0.00 34.50 32.16 2dkz s PRO 8 CO 0.00 -0.58 0.06 -0.46 0.04 0.00 0.00 177.00 176.06 2dkz s TRP 9 N -1.56 0.09 0.07 0.56 -0.00 -1.26 -5.17 118.94 111.66 2dkz s TRP 9 Ca 0.64 -0.18 -0.09 0.00 -0.00 0.00 0.00 56.10 56.47 2dkz s TRP 9 Cb -0.28 -0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.11 2dkz s TRP 9 CO 0.34 -0.19 0.20 1.14 -0.00 0.00 0.00 176.95 178.45 2dkz s GLN 10 N -1.04 0.78 0.57 5.86 -2.07 -1.26 -4.99 119.66 117.52 2dkz s GLN 10 Ca -0.11 -0.79 -0.19 0.00 -1.82 0.00 0.00 55.36 52.45 2dkz s GLN 10 Cb -0.07 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.13 2dkz s GLN 10 CO 0.00 -0.24 1.13 -1.25 -1.32 0.00 0.00 175.29 173.61 2dkz s PRO 11 N -3.25 3.25 1.22 9.60 0.04 -1.26 -5.04 135.00 139.56 2dkz s PRO 11 Ca 0.00 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.41 2dkz s PRO 11 Cb 0.02 -1.99 0.30 0.00 0.04 0.00 0.00 34.50 32.86 2dkz s PRO 11 CO -0.08 -0.92 1.11 -1.25 0.04 0.00 0.00 177.00 175.90 2dkz s PRO 12 N -3.44 -1.40 0.24 0.56 0.04 -1.26 -4.95 135.00 124.79 2dkz s PRO 12 Ca 0.72 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 2dkz s PRO 12 Cb -0.23 -1.58 0.28 0.00 0.04 0.00 0.00 34.50 33.00 2dkz s PRO 12 CO 0.30 -3.81 1.73 0.00 0.04 0.00 0.00 177.00 175.25 2dkz h ALA 13 N -2.65 1.04 -3.42 8.56 0.00 -2.03 -3.42 119.26 117.34 2dkz h ALA 13 Ca -0.44 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.53 2dkz h ALA 13 Cb 1.29 -0.20 -0.24 0.00 0.00 0.00 0.00 17.79 18.64 2dkz h ALA 13 CO 0.31 0.59 -0.73 -0.51 0.00 0.00 0.00 179.25 178.92 2dkz s ASP 14 N -6.64 4.31 -0.61 0.00 1.01 -1.26 -5.01 116.67 108.47 2dkz s ASP 14 Ca -0.10 -0.22 -0.01 0.00 0.71 0.00 0.00 52.55 52.93 2dkz s ASP 14 Cb 0.14 -1.54 0.48 0.00 1.01 0.00 0.00 42.92 43.01 2dkz s ASP 14 CO 0.82 0.21 2.01 0.18 0.21 0.00 0.00 175.17 178.60 2dkz n LEU 15 N 3.26 7.47 -3.89 1.23 4.77 -1.26 -4.76 117.00 123.83 2dkz n LEU 15 Ca -0.18 -4.11 -0.34 0.00 -0.03 0.00 0.00 56.01 51.35 2dkz n LEU 15 Cb 0.53 -0.96 -0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2dkz n LEU 15 CO 0.30 1.38 0.36 -1.20 -1.33 0.00 0.00 177.39 176.91 2dkz n SER 16 N -0.90 4.32 0.00 -1.43 7.64 -1.26 -3.38 113.62 118.61 2dkz n SER 16 Ca 0.61 -3.27 0.00 0.00 1.01 0.00 0.00 58.87 57.21 2dkz n SER 16 Cb 0.84 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.71 0.21 3.71 0.23 0.00 -1.26 -4.82 105.19 104.98 2dkz n GLY 17 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 4.58 -4.90 0.99 4.77 -1.26 -4.81 117.00 116.37 2dkz n LEU 18 Ca 0.00 1.05 -0.28 0.00 -0.03 0.00 0.00 56.01 56.75 2dkz n LEU 18 Cb 0.00 -1.53 0.05 0.00 -2.33 0.00 0.00 43.42 39.61 2dkz n LEU 18 CO 0.00 -0.66 0.67 -0.44 -1.33 0.00 0.00 177.39 175.63 2dkz s SER 19 N -0.69 5.24 0.59 -1.43 0.01 -1.26 -0.27 113.70 115.89 2dkz s SER 19 Ca 0.65 0.84 0.28 0.00 1.31 0.00 0.00 55.95 59.03 2dkz s SER 19 Cb -0.46 -1.62 1.64 0.00 0.21 0.00 0.00 66.02 65.79 2dkz s SER 19 CO 0.54 -1.39 2.10 0.40 0.41 0.00 0.00 173.24 175.31 2dkz h ILE 20 N -0.56 0.49 0.04 1.44 2.04 -1.93 0.53 117.51 119.56 2dkz h ILE 20 Ca -0.45 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.18 2dkz h ILE 20 Cb 1.28 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2dkz h ILE 20 CO 0.63 0.00 -1.07 -0.33 0.00 0.00 0.00 178.15 177.38 2dkz h GLU 21 N 0.00 0.08 -0.01 2.37 5.08 -1.92 -3.27 114.58 116.92 2dkz h GLU 21 Ca 0.09 -0.14 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2dkz h GLU 21 Cb 0.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 2dkz h GLU 21 CO -0.00 1.06 -0.68 0.93 -1.00 0.00 0.00 179.01 179.32 2dkz h GLU 22 N 0.02 0.05 -0.71 2.33 4.39 -1.27 -3.16 114.58 116.24 2dkz h GLU 22 Ca -0.05 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2dkz h GLU 22 Cb 1.82 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.45 2dkz h GLU 22 CO 0.15 0.71 0.28 0.28 -1.16 0.00 0.00 179.01 179.27 2dkz h VAL 23 N 0.03 1.24 -0.79 3.13 2.07 -1.41 -0.68 116.25 119.85 2dkz h VAL 23 Ca -0.01 -0.76 0.19 0.00 0.82 0.00 0.00 66.70 66.94 2dkz h VAL 23 Cb 1.21 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2dkz h VAL 23 CO 0.09 0.31 0.54 0.28 0.02 0.00 0.00 177.57 178.81 2dkz h SER 24 N 1.02 0.23 0.45 0.57 0.02 -1.62 0.05 113.55 114.27 2dkz h SER 24 Ca 0.24 0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.99 2dkz h SER 24 Cb 0.20 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2dkz h SER 24 CO -0.02 0.10 -1.73 0.29 -1.14 0.00 0.00 176.83 174.33 2dkz n LYS 25 N -4.42 0.64 -0.31 3.45 5.02 -0.89 -4.07 118.16 117.58 2dkz n LYS 25 Ca 0.16 0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.67 2dkz n LYS 25 Cb 0.69 -1.71 0.29 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.82 1.06 4.39 0.02 0.54 0.43 113.55 120.81 2dkz h SER 26 Ca -0.25 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 2dkz h SER 26 Cb 1.73 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 2dkz h SER 26 CO 0.04 0.45 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.58 2dkz h LEU 27 N 0.88 0.00 -2.09 5.07 3.38 -1.65 -3.13 115.31 117.78 2dkz h LEU 27 Ca 0.46 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.48 2dkz h LEU 27 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2dkz h LEU 27 CO -0.22 0.53 0.15 -0.09 0.09 0.00 0.00 178.44 178.89 2dkz h ARG 28 N 0.00 0.00 -0.29 1.13 2.43 -1.05 -0.01 114.38 116.60 2dkz h ARG 28 Ca -0.01 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 2dkz h ARG 28 Cb 1.20 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 2dkz h ARG 28 CO 0.07 0.00 0.07 0.35 -1.51 0.00 0.00 179.97 178.94 2dkz h PHE 29 N 0.00 0.11 0.00 2.20 3.57 -1.48 -2.70 116.94 118.65 2dkz h PHE 29 Ca 0.09 0.02 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 2dkz h PHE 29 Cb 0.38 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2dkz h PHE 29 CO 0.00 0.03 -1.05 -0.84 -2.23 0.00 0.00 178.31 174.23 2dkz h ILE 30 N 0.17 1.09 -2.16 1.41 3.07 -1.58 -3.49 117.51 116.02 2dkz h ILE 30 Ca 0.13 -2.68 0.00 0.00 1.55 0.00 0.00 64.86 63.86 2dkz h ILE 30 Cb 0.13 2.50 0.00 0.00 -0.27 0.00 0.00 36.82 39.18 2dkz h ILE 30 CO -0.17 0.62 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 2dkz n GLY 31 N 1.36 -1.38 3.87 0.16 0.00 -0.08 -5.12 105.19 103.99 2dkz n GLY 31 Ca -0.04 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.29 2.54 0.33 0.99 1.43 -1.24 -5.04 118.68 117.40 2dkz s LEU 32 Ca 0.00 -1.39 -0.28 0.00 -1.03 0.00 0.00 54.13 51.43 2dkz s LEU 32 Cb 0.00 -1.02 -0.09 0.00 0.03 0.00 0.00 46.19 45.11 2dkz s LEU 32 CO 0.00 -1.06 1.15 -0.55 0.23 0.00 0.00 176.35 176.11 2dkz s SER 33 N -4.18 6.94 0.31 2.29 0.15 -1.26 -4.92 113.70 113.03 2dkz s SER 33 Ca 0.24 2.34 0.05 0.00 0.70 0.00 0.00 55.95 59.28 2dkz s SER 33 Cb -0.01 -2.62 0.70 0.00 -1.71 0.00 0.00 66.02 62.37 2dkz s SER 33 CO 0.15 -0.38 1.82 -0.33 1.20 0.00 0.00 173.24 175.70 2dkz h GLU 34 N 3.30 0.80 -0.51 5.44 4.39 -2.00 -0.71 114.58 125.30 2dkz h GLU 34 Ca -0.48 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 2dkz h GLU 34 Cb 1.22 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2dkz h GLU 34 CO 0.65 0.53 0.25 -0.44 -1.16 0.00 0.00 179.01 178.84 2dkz h ASP 35 N 0.83 0.66 0.13 1.42 3.32 -1.99 -2.45 116.42 118.34 2dkz h ASP 35 Ca 0.52 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.45 2dkz h ASP 35 Cb 0.73 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 2dkz h ASP 35 CO -0.30 0.60 -0.17 0.58 -1.72 0.00 0.00 179.24 178.23 2dkz h VAL 36 N 0.67 0.61 -0.13 -1.35 2.07 -1.52 0.17 116.25 116.78 2dkz h VAL 36 Ca 0.17 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.74 2dkz h VAL 36 Cb 0.11 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 2dkz h VAL 36 CO -0.02 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 177.69 2dkz h ILE 37 N -0.35 0.35 0.00 4.57 2.04 -1.33 -0.04 117.51 122.74 2dkz h ILE 37 Ca 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2dkz h ILE 37 Cb 0.35 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2dkz h ILE 37 CO -0.07 0.00 -0.11 0.77 0.00 0.00 0.00 178.15 178.74 2dkz h SER 38 N -0.35 0.00 0.28 1.72 4.64 -1.27 -1.54 113.55 117.02 2dkz h SER 38 Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.39 2dkz h SER 38 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2dkz h SER 38 CO -0.33 0.11 -0.13 -0.26 -0.87 0.00 0.00 176.83 175.35 2dkz h PHE 39 N 0.00 0.00 0.00 4.77 0.04 0.13 -0.43 116.94 121.45 2dkz h PHE 39 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 2dkz h PHE 39 Cb 0.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2dkz h PHE 39 CO 0.00 0.13 -0.68 0.74 -0.60 0.00 0.00 178.31 177.89 2dkz h PHE 40 N 0.00 0.00 -0.75 -0.55 -1.00 -0.92 -3.21 116.94 110.52 2dkz h PHE 40 Ca -0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2dkz h PHE 40 Cb 0.30 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.82 2dkz h PHE 40 CO 0.00 1.14 0.49 0.28 -1.61 0.00 0.00 178.31 178.62 2dkz h VAL 41 N -1.00 1.10 0.00 -0.55 2.07 -1.42 0.13 116.25 116.58 2dkz h VAL 41 Ca -0.18 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 2dkz h VAL 41 Cb 1.08 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2dkz h VAL 41 CO -0.11 0.16 -0.26 0.00 0.02 0.00 0.00 177.57 177.38 2dkz h THR 42 N 0.90 0.70 -0.57 2.57 1.03 -1.23 -2.65 112.91 113.66 2dkz h THR 42 Ca 0.30 -1.16 -0.15 0.00 -0.01 0.00 0.00 66.41 65.40 2dkz h THR 42 Cb 0.08 1.74 -0.09 0.00 -1.07 0.00 0.00 68.15 68.81 2dkz h THR 42 CO -0.09 0.26 0.19 -0.62 -0.01 0.00 0.00 175.52 175.25 2dkz n GLU 43 N -3.52 3.31 -2.01 0.00 -0.58 -0.28 -4.87 120.64 112.68 2dkz n GLU 43 Ca -0.00 -2.44 -0.16 0.00 -0.42 0.00 0.00 57.16 54.13 2dkz n GLU 43 Cb 0.42 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.21 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 -1.71 -2.36 3.49 4.81 -1.00 -4.89 118.16 116.53 2dkz n LYS 44 Ca 0.31 0.87 -0.43 0.00 -0.87 0.00 0.00 58.31 58.20 2dkz n LYS 44 Cb 1.16 -5.36 -0.02 0.00 0.02 0.00 0.00 35.03 30.82 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 0.14 3.15 -1.09 0.30 -4.98 121.20 120.24 2dkz s ILE 45 Ca 0.00 1.41 0.00 0.00 -2.23 0.00 0.00 60.65 59.83 2dkz s ILE 45 Cb 0.00 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2dkz s ILE 45 CO 0.00 -0.12 0.02 -0.90 -1.23 0.00 0.00 174.94 172.70 2dkz n ASP 46 N 6.64 2.26 0.42 3.58 5.68 -1.26 -4.45 116.55 129.43 2dkz n ASP 46 Ca 0.14 -1.60 -0.19 0.00 -0.50 0.00 0.00 54.79 52.64 2dkz n ASP 46 Cb 0.45 0.08 -0.09 0.00 -1.14 0.00 0.00 41.12 40.42 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 0.31 -1.10 1.60 6.12 0.00 -0.83 0.17 103.07 109.34 2dkz h GLY 47 Ca -0.11 0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.67 2dkz h GLY 47 CO 0.19 -0.40 0.16 -0.57 0.00 0.00 0.00 176.54 175.92 2dkz h ASN 48 N -1.05 0.00 0.05 0.19 -1.24 -1.73 -1.83 115.58 109.98 2dkz h ASN 48 Ca -0.11 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.78 2dkz h ASN 48 Cb 0.81 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.87 2dkz h ASN 48 CO 0.18 0.00 -0.52 0.25 -1.29 0.00 0.00 177.43 176.05 2dkz h LEU 49 N 0.00 0.36 -0.21 0.34 7.12 -1.75 -3.15 115.31 118.02 2dkz h LEU 49 Ca 0.07 -0.87 0.05 0.00 0.13 0.00 0.00 57.88 57.27 2dkz h LEU 49 Cb 0.39 -0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.35 2dkz h LEU 49 CO -0.00 1.19 -0.12 0.25 -0.13 0.00 0.00 178.44 179.64 2dkz h LEU 50 N -0.42 -0.38 -2.34 2.25 5.85 0.15 0.42 115.31 120.84 2dkz h LEU 50 Ca -0.08 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2dkz h LEU 50 Cb 1.32 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.56 2dkz h LEU 50 CO 0.10 -0.15 0.05 -0.37 -0.34 0.00 0.00 178.44 177.73 2dkz h VAL 51 N -0.10 0.59 0.02 1.05 -1.51 -1.57 -0.76 116.25 113.97 2dkz h VAL 51 Ca 0.12 0.00 -0.22 0.00 -1.23 0.00 0.00 66.70 65.37 2dkz h VAL 51 Cb 0.27 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.37 2dkz h VAL 51 CO -0.27 0.00 -1.01 1.56 -1.23 0.00 0.00 177.57 176.61 2dkz h GLN 52 N 0.00 0.05 -7.01 5.19 4.20 -0.94 -3.46 115.11 113.15 2dkz h GLN 52 Ca 0.02 -0.08 -0.54 0.00 0.06 0.00 0.00 58.65 58.11 2dkz h GLN 52 Cb 0.12 0.03 0.12 0.00 0.30 0.00 0.00 27.48 28.05 2dkz h GLN 52 CO -0.00 1.01 0.64 -0.51 -0.67 0.00 0.00 178.83 179.30 2dkz s LEU 53 N -6.86 4.02 0.23 1.46 1.43 -0.29 -5.03 118.68 113.65 2dkz s LEU 53 Ca -0.00 2.78 0.06 0.00 -1.03 0.00 0.00 54.13 55.94 2dkz s LEU 53 Cb 0.10 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.18 2dkz s LEU 53 CO 0.83 -1.27 -0.07 0.42 0.23 0.00 0.00 176.35 176.49 2dkz s THR 54 N -1.27 1.44 0.54 5.49 -4.23 -1.26 -5.00 115.64 111.35 2dkz s THR 54 Ca 0.65 -2.11 0.25 0.00 -1.18 0.00 0.00 61.69 59.29 2dkz s THR 54 Cb -0.41 -2.25 0.37 0.00 1.34 0.00 0.00 72.50 71.55 2dkz s THR 54 CO 0.50 -0.43 2.02 -0.08 -0.54 0.00 0.00 174.62 176.10 2dkz h GLU 55 N 2.46 0.00 -0.13 3.99 4.81 -1.96 0.26 114.58 124.01 2dkz h GLU 55 Ca -0.39 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 2dkz h GLU 55 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2dkz h GLU 55 CO 0.65 0.00 -0.20 0.93 -0.73 0.00 0.00 179.01 179.66 2dkz h GLU 56 N 0.00 0.37 0.00 1.92 5.08 -1.98 -2.59 114.58 117.37 2dkz h GLU 56 Ca 0.19 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2dkz h GLU 56 Cb 0.82 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 2dkz h GLU 56 CO -0.00 0.80 -0.48 0.82 -1.00 0.00 0.00 179.01 179.15 2dkz h ILE 57 N -0.03 0.98 0.00 3.13 2.04 -1.64 0.35 117.51 122.34 2dkz h ILE 57 Ca 0.01 -1.92 -0.09 0.00 1.00 0.00 0.00 64.86 63.86 2dkz h ILE 57 Cb 0.76 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 2dkz h ILE 57 CO 0.05 0.47 -0.43 -0.07 0.00 0.00 0.00 178.15 178.17 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.52 -0.87 115.31 118.75 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 1.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2dkz h LEU 58 CO 0.06 0.43 -2.20 -0.24 0.09 0.00 0.00 178.44 176.58 2dkz n SER 59 N -3.62 0.06 -0.03 -0.43 2.88 -0.98 -0.74 113.62 110.76 2dkz n SER 59 Ca -0.01 0.03 -0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2dkz n SER 59 Cb 0.53 1.25 -0.00 0.00 -0.75 0.00 0.00 64.21 65.23 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 -0.91 -3.22 114.58 113.38 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 1.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 2dkz h GLU 60 CO 0.02 0.00 0.00 -0.25 -1.16 0.00 0.00 179.01 177.62 2dkz n ASP 61 N -3.85 0.00 -0.32 1.42 9.92 -0.36 -4.17 116.55 119.19 2dkz n ASP 61 Ca -0.00 0.52 0.08 0.00 -0.53 0.00 0.00 54.79 54.87 2dkz n ASP 61 Cb 0.01 -0.47 0.25 0.00 -0.64 0.00 0.00 41.12 40.27 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 0.88 -3.08 1.24 0.04 -1.57 -3.45 116.94 111.00 2dkz h PHE 62 Ca 0.00 0.03 -0.35 0.00 2.80 0.00 0.00 57.97 60.45 2dkz h PHE 62 Cb 0.00 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 37.86 2dkz h PHE 62 CO 0.02 0.22 -0.44 1.17 -0.60 0.00 0.00 178.31 178.69 2dkz n LYS 63 N -4.82 -1.84 -0.42 1.51 4.81 0.08 -4.95 118.16 112.54 2dkz n LYS 63 Ca 0.19 0.87 -0.30 0.00 -0.87 0.00 0.00 58.31 58.20 2dkz n LYS 63 Cb 0.46 -5.48 0.28 0.00 0.02 0.00 0.00 35.03 30.31 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 -5.70 -0.80 0.82 3.14 1.43 -0.99 -4.97 118.68 111.61 2dkz s LEU 64 Ca 0.00 0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 2dkz s LEU 64 Cb 0.00 -2.44 0.08 0.00 0.03 0.00 0.00 46.19 43.86 2dkz s LEU 64 CO 0.00 -5.19 1.09 -0.55 0.23 0.00 0.00 176.35 171.93 2dkz s SER 65 N -3.08 4.15 0.39 2.29 0.15 -1.26 -4.77 113.70 111.57 2dkz s SER 65 Ca 0.69 1.56 0.06 0.00 0.70 0.00 0.00 55.95 58.96 2dkz s SER 65 Cb -0.15 -2.28 0.78 0.00 -1.71 0.00 0.00 66.02 62.66 2dkz s SER 65 CO 0.59 -2.22 2.00 0.50 1.20 0.00 0.00 173.24 175.31 2dkz h LYS 66 N -1.26 0.53 -0.24 5.44 3.64 -1.99 0.09 116.57 122.78 2dkz h LYS 66 Ca -0.47 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 58.66 2dkz h LYS 66 Cb 1.26 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2dkz h LYS 66 CO 0.55 0.42 -0.63 -0.07 -2.27 0.00 0.00 179.45 177.44 2dkz h LEU 67 N 0.53 0.97 0.04 5.20 -0.00 -1.99 -2.74 115.31 117.32 2dkz h LEU 67 Ca 0.14 -0.57 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2dkz h LEU 67 Cb 0.06 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.44 2dkz h LEU 67 CO -0.02 1.36 -0.02 1.56 -0.00 0.00 0.00 178.44 181.33 2dkz h GLN 68 N 0.62 -0.05 -0.52 1.13 4.20 -1.80 -0.29 115.11 118.41 2dkz h GLN 68 Ca -0.01 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.83 2dkz h GLN 68 Cb 1.25 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 2dkz h GLN 68 CO 0.14 0.37 0.36 0.28 -0.67 0.00 0.00 178.83 179.31 2dkz h VAL 69 N -0.48 0.81 0.03 -0.54 2.07 -1.07 0.58 116.25 117.65 2dkz h VAL 69 Ca -0.00 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 2dkz h VAL 69 Cb 0.44 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2dkz h VAL 69 CO 0.01 0.03 -0.16 0.50 0.02 0.00 0.00 177.57 177.96 2dkz h LYS 70 N 0.15 0.06 0.26 1.57 3.64 -1.37 -3.02 116.57 117.86 2dkz h LYS 70 Ca 0.25 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2dkz h LYS 70 Cb 0.77 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2dkz h LYS 70 CO -0.03 1.03 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.72 2dkz h LYS 71 N -0.85 -0.50 -0.41 1.90 3.64 -0.46 -2.07 116.57 117.81 2dkz h LYS 71 Ca -0.03 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2dkz h LYS 71 Cb 1.11 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 2dkz h LYS 71 CO 0.03 -0.33 -0.04 0.82 -2.27 0.00 0.00 179.45 177.66 2dkz h ILE 72 N -0.52 0.65 -0.81 2.00 2.04 -1.06 -1.05 117.51 118.76 2dkz h ILE 72 Ca -0.01 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.97 2dkz h ILE 72 Cb 0.48 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 2dkz h ILE 72 CO -0.04 0.01 0.40 0.24 0.00 0.00 0.00 178.15 178.76 2dkz h MET 73 N 0.06 0.56 0.00 2.37 2.86 -1.36 0.20 114.93 119.63 2dkz h MET 73 Ca 0.20 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2dkz h MET 73 Cb 0.30 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2dkz h MET 73 CO -0.37 0.37 -0.28 1.96 1.06 0.00 0.00 176.91 179.65 2dkz h GLN 74 N 0.58 0.00 -0.05 1.72 4.20 -0.52 -1.84 115.11 119.21 2dkz h GLN 74 Ca 0.44 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.94 2dkz h GLN 74 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2dkz h GLN 74 CO -0.36 0.28 -0.82 0.35 -0.67 0.00 0.00 178.83 177.61 2dkz h PHE 75 N 0.00 0.59 0.38 2.96 3.57 0.22 -1.97 116.94 122.69 2dkz h PHE 75 Ca -0.00 -0.29 -0.02 0.00 3.53 0.00 0.00 57.97 61.19 2dkz h PHE 75 Cb 0.51 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2dkz h PHE 75 CO 0.00 1.07 -0.18 0.82 -2.23 0.00 0.00 178.31 177.79 2dkz h ILE 76 N 0.27 0.22 -0.40 1.41 2.04 -0.77 -3.32 117.51 116.96 2dkz h ILE 76 Ca -0.05 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.18 2dkz h ILE 76 Cb 1.42 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2dkz h ILE 76 CO 0.14 0.05 0.16 0.78 0.00 0.00 0.00 178.15 179.28 2dkz h ASN 77 N -1.07 0.20 -2.03 1.72 2.35 -1.47 -3.48 115.58 111.80 2dkz h ASN 77 Ca -0.05 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dkz h ASN 77 Cb 0.48 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2dkz h ASN 77 CO 0.09 0.15 0.00 0.61 -1.65 0.00 0.00 177.43 176.63 2dkz n GLY 78 N -1.23 0.63 3.88 2.83 0.00 -0.74 -5.07 105.19 105.49 2dkz n GLY 78 Ca 0.02 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.76 6.59 -0.07 1.61 0.01 -1.24 -4.95 113.70 112.90 2dkz s SER 79 Ca 0.00 0.84 -0.32 0.00 1.31 0.00 0.00 55.95 57.78 2dkz s SER 79 Cb 0.00 -2.19 0.14 0.00 0.21 0.00 0.00 66.02 64.17 2dkz s SER 79 CO 0.00 -0.04 1.36 -0.83 0.41 0.00 0.00 173.24 174.14 2dkz s GLY 80 N -2.37 -0.44 0.42 3.44 0.00 -1.26 -5.01 107.32 102.10 2dkz s GLY 80 Ca 0.46 0.91 0.21 0.00 0.00 0.00 0.00 44.72 46.30 2dkz s GLY 80 CO 0.22 0.19 1.84 -0.56 0.00 0.00 0.00 173.10 174.79 2dkz h PRO 81 N 2.00 0.00 0.00 2.90 0.13 -2.04 -3.34 132.00 131.65 2dkz h PRO 81 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2dkz h PRO 81 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2dkz h PRO 81 CO 0.28 0.28 -0.04 0.77 -0.23 0.00 0.00 178.00 179.07 2dkz h SER 82 N 0.00 0.00 -5.08 1.44 0.02 -2.00 -3.49 113.55 104.44 2dkz h SER 82 Ca -0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 2dkz h SER 82 Cb 0.71 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.33 2dkz h SER 82 CO 0.04 0.11 -0.36 -1.20 -1.14 0.00 0.00 176.83 174.28 2dkz n SER 83 N -2.57 -6.53 0.00 3.07 7.64 -1.26 -5.24 113.62 108.74 2dkz n SER 83 Ca -0.01 -0.33 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2dkz n SER 83 Cb 0.02 -4.65 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64