#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 7.48 0.44 1.61 0.01 -1.26 -4.87 113.70 117.11 2dkz s SER 2 Ca 0.00 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.02 2dkz s SER 2 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2dkz s SER 2 CO 0.00 0.17 0.00 -0.24 0.41 0.00 0.00 173.24 173.58 2dkz n SER 3 N 1.66 -3.45 0.00 2.44 2.88 -1.26 -5.18 113.62 110.71 2dkz n SER 3 Ca -0.04 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2dkz n SER 3 Cb 0.48 3.25 0.00 0.00 -0.75 0.00 0.00 64.21 67.19 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 -0.88 -1.12 3.87 0.46 0.00 -1.26 -5.16 105.19 101.10 2dkz n GLY 4 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 2dkz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkz s SER 5 N -4.00 6.21 0.24 1.61 1.04 -1.26 -5.09 113.70 112.45 2dkz s SER 5 Ca 0.00 1.40 0.03 0.00 0.48 0.00 0.00 55.95 57.86 2dkz s SER 5 Cb 0.00 -2.45 0.03 0.00 0.10 0.00 0.00 66.02 63.71 2dkz s SER 5 CO 0.00 -0.87 0.28 -1.20 0.98 0.00 0.00 173.24 172.43 2dkz n SER 6 N -2.74 1.15 -0.02 7.02 7.64 -1.26 -5.00 113.62 120.41 2dkz n SER 6 Ca 0.06 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2dkz n SER 6 Cb 0.54 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2dkz n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dkz n GLY 7 N 2.11 0.76 3.63 0.23 0.00 -1.26 -5.03 105.19 105.63 2dkz n GLY 7 Ca 0.04 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.59 3.82 -0.02 1.61 0.04 -1.26 -5.01 135.00 132.60 2dkz s PRO 8 Ca 0.00 1.68 0.02 0.00 0.04 0.00 0.00 61.00 62.74 2dkz s PRO 8 Cb 0.00 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.48 2dkz s PRO 8 CO 0.00 -1.26 -0.04 -0.46 0.04 0.00 0.00 177.00 175.28 2dkz s TRP 9 N 5.10 2.98 0.08 0.56 -0.00 -1.26 -5.13 118.94 121.28 2dkz s TRP 9 Ca 0.71 0.03 0.01 0.00 -0.00 0.00 0.00 56.10 56.84 2dkz s TRP 9 Cb -0.25 -1.66 -0.04 0.00 -0.00 0.00 0.00 33.47 31.52 2dkz s TRP 9 CO 0.29 0.40 -0.05 -0.65 -0.00 0.00 0.00 176.95 176.94 2dkz s GLN 10 N -1.34 0.76 0.56 5.86 1.11 -1.26 -5.03 119.66 120.32 2dkz s GLN 10 Ca 0.17 -1.30 -0.19 0.00 0.01 0.00 0.00 55.36 54.06 2dkz s GLN 10 Cb -0.11 -0.05 -0.05 0.00 -1.01 0.00 0.00 33.01 31.79 2dkz s GLN 10 CO 0.07 -0.06 1.13 -1.25 0.01 0.00 0.00 175.29 175.19 2dkz s PRO 11 N -3.87 3.25 1.13 2.91 0.04 -1.26 -5.04 135.00 132.17 2dkz s PRO 11 Ca 0.10 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.55 2dkz s PRO 11 Cb 0.06 -2.00 0.25 0.00 0.04 0.00 0.00 34.50 32.86 2dkz s PRO 11 CO -0.07 -0.92 1.10 -1.25 0.04 0.00 0.00 177.00 175.91 2dkz s PRO 12 N -3.44 -0.64 -0.07 0.56 0.04 -1.26 -5.00 135.00 125.19 2dkz s PRO 12 Ca 0.72 0.14 0.18 0.00 0.04 0.00 0.00 61.00 62.08 2dkz s PRO 12 Cb -0.23 -1.64 -0.23 0.00 0.04 0.00 0.00 34.50 32.44 2dkz s PRO 12 CO 0.30 -3.37 0.45 0.00 0.04 0.00 0.00 177.00 174.42 2dkz n ALA 13 N -4.56 1.88 0.12 8.56 0.00 -1.26 -4.36 120.51 120.88 2dkz n ALA 13 Ca 0.10 -0.87 -0.24 0.00 0.00 0.00 0.00 53.44 52.44 2dkz n ALA 13 Cb 0.59 -0.61 -0.16 0.00 0.00 0.00 0.00 19.45 19.27 2dkz n ALA 13 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2dkz h ASP 14 N 0.00 0.74 -3.32 0.00 5.19 -1.94 -3.48 116.42 113.61 2dkz h ASP 14 Ca -0.30 -0.93 -0.29 0.00 -0.62 0.00 0.00 57.03 54.90 2dkz h ASP 14 Cb 1.78 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 41.02 2dkz h ASP 14 CO 0.03 1.63 -0.35 0.18 -3.12 0.00 0.00 179.24 177.61 2dkz n LEU 15 N -3.83 -1.30 -1.34 1.55 4.77 -1.26 -4.82 117.00 110.77 2dkz n LEU 15 Ca -0.17 0.17 -0.07 0.00 -0.03 0.00 0.00 56.01 55.92 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 0.57 -0.23 0.79 -1.20 -1.33 0.00 0.00 177.39 175.99 2dkz n SER 16 N -1.69 2.72 -0.72 -1.43 7.64 -1.26 -3.57 113.62 115.31 2dkz n SER 16 Ca -0.17 -3.74 -0.04 0.00 1.01 0.00 0.00 58.87 55.94 2dkz n SER 16 Cb 0.61 -0.67 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 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 -1.10 0.53 3.77 0.23 0.00 -1.26 -4.80 105.19 102.55 2dkz n GLY 17 Ca 0.37 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 4.03 0.84 0.99 1.43 -1.26 -5.01 118.68 119.70 2dkz s LEU 18 Ca 0.00 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.28 2dkz s LEU 18 Cb 0.00 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.37 2dkz s LEU 18 CO 0.00 0.34 1.18 -0.94 0.23 0.00 0.00 176.35 177.16 2dkz s SER 19 N -0.62 3.99 0.58 2.29 1.04 -1.26 -0.22 113.70 119.49 2dkz s SER 19 Ca 0.12 0.34 0.27 0.00 0.48 0.00 0.00 55.95 57.16 2dkz s SER 19 Cb -0.12 -0.67 1.69 0.00 0.10 0.00 0.00 66.02 67.02 2dkz s SER 19 CO 0.02 -2.17 2.21 0.40 0.98 0.00 0.00 173.24 174.68 2dkz h ILE 20 N -1.12 0.61 0.06 -1.02 2.04 -1.93 -0.92 117.51 115.22 2dkz h ILE 20 Ca -0.44 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.19 2dkz h ILE 20 Cb 1.28 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2dkz h ILE 20 CO 0.50 0.00 -1.07 -0.33 0.00 0.00 0.00 178.15 177.25 2dkz h GLU 21 N 0.00 0.23 -0.14 2.37 3.07 -1.92 -3.27 114.58 114.92 2dkz h GLU 21 Ca 0.02 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 58.39 2dkz h GLU 21 Cb 0.10 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2dkz h GLU 21 CO -0.00 1.10 -0.57 0.93 -1.40 0.00 0.00 179.01 179.07 2dkz h GLU 22 N 0.10 0.45 -0.65 2.33 4.39 -1.55 -3.18 114.58 116.48 2dkz h GLU 22 Ca -0.09 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.38 2dkz h GLU 22 Cb 1.76 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.39 2dkz h GLU 22 CO 0.17 0.89 0.35 0.28 -1.16 0.00 0.00 179.01 179.54 2dkz h VAL 23 N 0.34 0.95 -0.73 3.13 2.07 -1.41 0.33 116.25 120.93 2dkz h VAL 23 Ca 0.00 -0.22 0.21 0.00 0.82 0.00 0.00 66.70 67.51 2dkz h VAL 23 Cb 1.10 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2dkz h VAL 23 CO 0.10 0.12 0.53 0.28 0.02 0.00 0.00 177.57 178.62 2dkz h SER 24 N 0.65 0.00 0.53 0.57 0.02 -1.62 0.14 113.55 113.83 2dkz h SER 24 Ca 0.29 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.00 2dkz h SER 24 Cb 0.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2dkz h SER 24 CO -0.19 0.00 -1.64 0.29 -1.14 0.00 0.00 176.83 174.15 2dkz n LYS 25 N -4.31 0.63 -0.15 3.45 5.02 -0.30 -3.93 118.16 118.57 2dkz n LYS 25 Ca 0.15 0.23 -0.02 0.00 -2.02 0.00 0.00 58.31 56.64 2dkz n LYS 25 Cb 0.80 -1.77 0.06 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 -0.06 0.53 4.39 0.02 0.13 -0.26 113.55 118.29 2dkz h SER 26 Ca -0.25 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 2dkz h SER 26 Cb 1.82 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.50 2dkz h SER 26 CO 0.06 -0.00 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.24 2dkz h LEU 27 N 0.20 0.00 -1.98 5.07 3.38 -1.68 -2.90 115.31 117.39 2dkz h LEU 27 Ca 0.25 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.43 2dkz h LEU 27 Cb 0.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2dkz h LEU 27 CO -0.35 0.44 0.55 -0.09 0.09 0.00 0.00 178.44 179.08 2dkz h ARG 28 N 0.00 0.02 -0.32 1.13 2.43 -1.16 -0.10 114.38 116.37 2dkz h ARG 28 Ca -0.00 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.23 2dkz h ARG 28 Cb 0.82 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 2dkz h ARG 28 CO 0.06 0.01 -0.14 0.35 -1.51 0.00 0.00 179.97 178.74 2dkz h PHE 29 N 0.02 -0.32 0.00 2.20 3.57 -1.44 -2.24 116.94 118.72 2dkz h PHE 29 Ca 0.36 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.76 2dkz h PHE 29 Cb 1.43 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 40.35 2dkz h PHE 29 CO -0.00 -0.21 -0.97 -0.84 -2.23 0.00 0.00 178.31 174.06 2dkz h ILE 30 N -0.08 0.71 -2.47 1.41 3.07 -1.45 -3.50 117.51 115.20 2dkz h ILE 30 Ca 0.16 -2.14 0.00 0.00 1.55 0.00 0.00 64.86 64.43 2dkz h ILE 30 Cb 0.33 2.24 0.00 0.00 -0.27 0.00 0.00 36.82 39.11 2dkz h ILE 30 CO -0.38 0.40 0.00 0.61 -1.05 0.00 0.00 178.15 177.74 2dkz n GLY 31 N 1.31 -1.41 3.94 0.16 0.00 -0.17 -5.11 105.19 103.90 2dkz n GLY 31 Ca -0.04 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.41 2.70 0.34 0.99 1.43 -1.25 -5.03 118.68 117.45 2dkz s LEU 32 Ca 0.00 -1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 51.61 2dkz s LEU 32 Cb 0.00 -1.18 -0.09 0.00 0.03 0.00 0.00 46.19 44.94 2dkz s LEU 32 CO 0.00 -1.22 1.09 -0.44 0.23 0.00 0.00 176.35 176.01 2dkz s SER 33 N -4.39 7.01 0.37 2.29 0.01 -1.26 -4.93 113.70 112.80 2dkz s SER 33 Ca 0.38 2.19 0.12 0.00 1.31 0.00 0.00 55.95 59.95 2dkz s SER 33 Cb -0.03 -2.61 0.90 0.00 0.21 0.00 0.00 66.02 64.49 2dkz s SER 33 CO 0.24 -0.32 1.85 1.05 0.41 0.00 0.00 173.24 176.47 2dkz h GLU 34 N 3.21 0.58 -0.09 12.44 4.11 -2.00 -1.18 114.58 131.66 2dkz h GLU 34 Ca -0.47 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2dkz h GLU 34 Cb 1.22 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2dkz h GLU 34 CO 0.65 0.39 0.05 0.22 0.07 0.00 0.00 179.01 180.38 2dkz h ASP 35 N 0.60 0.08 0.07 3.06 1.82 -1.98 -1.18 116.42 118.89 2dkz h ASP 35 Ca 0.47 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 57.12 2dkz h ASP 35 Cb 0.89 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.87 2dkz h ASP 35 CO -0.22 0.06 -0.12 0.58 -1.61 0.00 0.00 179.24 177.93 2dkz h VAL 36 N 0.11 0.71 0.10 2.25 2.07 -1.61 0.12 116.25 120.00 2dkz h VAL 36 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2dkz h VAL 36 Cb -0.00 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 2dkz h VAL 36 CO -0.02 0.00 -0.33 0.40 0.02 0.00 0.00 177.57 177.64 2dkz h ILE 37 N -0.24 0.30 0.00 4.57 2.04 -1.30 -0.93 117.51 121.94 2dkz h ILE 37 Ca 0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 2dkz h ILE 37 Cb 0.26 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2dkz h ILE 37 CO -0.07 0.00 -0.03 0.77 0.00 0.00 0.00 178.15 178.83 2dkz h SER 38 N -0.54 0.00 0.19 1.72 4.64 -1.09 -0.82 113.55 117.64 2dkz h SER 38 Ca 0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2dkz h SER 38 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2dkz h SER 38 CO -0.21 0.03 -0.09 -0.26 -0.87 0.00 0.00 176.83 175.43 2dkz h PHE 39 N 0.00 0.00 0.08 4.77 0.04 0.67 0.81 116.94 123.31 2dkz h PHE 39 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 2dkz h PHE 39 Cb 0.05 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 2dkz h PHE 39 CO 0.00 0.09 -1.60 0.74 -0.60 0.00 0.00 178.31 176.94 2dkz h PHE 40 N 0.00 0.32 0.00 -0.55 -1.00 -0.91 -3.18 116.94 111.62 2dkz h PHE 40 Ca -0.00 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.51 2dkz h PHE 40 Cb 0.20 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2dkz h PHE 40 CO 0.00 1.63 -0.18 0.28 -1.61 0.00 0.00 178.31 178.43 2dkz h VAL 41 N -0.37 0.66 0.00 -0.55 2.07 -1.27 0.23 116.25 117.03 2dkz h VAL 41 Ca -0.37 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.28 2dkz h VAL 41 Cb 1.73 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 2dkz h VAL 41 CO -0.01 0.17 -0.79 0.00 0.02 0.00 0.00 177.57 176.96 2dkz h THR 42 N 0.00 0.74 -0.57 2.57 1.03 -0.98 -3.26 112.91 112.43 2dkz h THR 42 Ca -0.00 -2.12 -0.15 0.00 -0.01 0.00 0.00 66.41 64.13 2dkz h THR 42 Cb 0.47 2.28 -0.09 0.00 -1.07 0.00 0.00 68.15 69.74 2dkz h THR 42 CO 0.02 0.42 0.19 -0.62 -0.01 0.00 0.00 175.52 175.52 2dkz n GLU 43 N -3.11 3.30 -2.01 0.00 -0.58 -0.90 -4.87 120.64 112.48 2dkz n GLU 43 Ca -0.02 -2.43 -0.17 0.00 -0.42 0.00 0.00 57.16 54.13 2dkz n GLU 43 Cb 0.76 -2.04 -0.04 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 -1.70 -2.48 3.49 4.81 -1.16 -4.90 118.16 116.24 2dkz n LYS 44 Ca 0.31 0.88 -0.42 0.00 -0.87 0.00 0.00 58.31 58.20 2dkz n LYS 44 Cb 1.15 -5.37 -0.03 0.00 0.02 0.00 0.00 35.03 30.81 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 4.32 0.04 3.15 -1.09 0.76 -4.98 121.20 120.77 2dkz s ILE 45 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 2dkz s ILE 45 Cb 0.00 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.83 2dkz s ILE 45 CO 0.00 -0.04 0.00 -0.90 -1.23 0.00 0.00 174.94 172.77 2dkz n ASP 46 N 5.55 2.01 0.32 3.58 5.75 -1.26 -4.46 116.55 128.04 2dkz n ASP 46 Ca 0.11 -1.17 -0.17 0.00 -0.01 0.00 0.00 54.79 53.55 2dkz n ASP 46 Cb 0.46 0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.10 -0.85 1.48 6.12 0.00 -0.77 0.13 103.07 109.28 2dkz h GLY 47 Ca -0.03 0.33 0.07 0.00 0.00 0.00 0.00 47.33 47.70 2dkz h GLY 47 CO 0.05 -0.31 0.19 -0.57 0.00 0.00 0.00 176.54 175.91 2dkz h ASN 48 N -0.80 0.00 0.06 0.19 -1.24 -1.73 -1.26 115.58 110.79 2dkz h ASN 48 Ca -0.07 0.00 -0.24 0.00 0.71 0.00 0.00 56.30 56.70 2dkz h ASN 48 Cb 0.63 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.70 2dkz h ASN 48 CO 0.11 0.00 -0.96 0.25 -1.29 0.00 0.00 177.43 175.54 2dkz h LEU 49 N 0.00 0.74 -0.07 0.34 7.12 -1.76 -2.95 115.31 118.73 2dkz h LEU 49 Ca 0.11 -0.80 -0.00 0.00 0.13 0.00 0.00 57.88 57.32 2dkz h LEU 49 Cb 0.49 -0.23 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2dkz h LEU 49 CO -0.00 1.46 0.03 0.25 -0.13 0.00 0.00 178.44 180.05 2dkz h LEU 50 N 0.12 0.09 -2.24 2.25 5.85 0.33 -0.26 115.31 121.44 2dkz h LEU 50 Ca -0.14 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 2dkz h LEU 50 Cb 1.65 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.66 2dkz h LEU 50 CO 0.19 0.18 -0.05 -0.37 -0.34 0.00 0.00 178.44 178.05 2dkz h VAL 51 N -0.01 0.58 0.05 1.05 -1.51 -1.39 -1.80 116.25 113.23 2dkz h VAL 51 Ca 0.02 -0.20 -0.25 0.00 -1.23 0.00 0.00 66.70 65.04 2dkz h VAL 51 Cb 0.12 1.13 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 2dkz h VAL 51 CO -0.00 0.05 -1.25 1.56 -1.23 0.00 0.00 177.57 176.70 2dkz h GLN 52 N 0.00 0.11 -6.88 5.19 4.20 -1.23 -3.46 115.11 113.04 2dkz h GLN 52 Ca -0.00 -0.20 -0.57 0.00 0.06 0.00 0.00 58.65 57.95 2dkz h GLN 52 Cb 0.12 0.07 0.15 0.00 0.30 0.00 0.00 27.48 28.13 2dkz h GLN 52 CO 0.01 1.02 0.28 1.28 -0.67 0.00 0.00 178.83 180.74 2dkz n LEU 53 N -3.38 4.19 -4.33 1.46 4.77 -0.16 -5.02 117.00 114.53 2dkz n LEU 53 Ca -0.07 0.88 -0.18 0.00 -0.03 0.00 0.00 56.01 56.61 2dkz n LEU 53 Cb 0.99 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 2dkz n LEU 53 CO 0.49 -1.42 -0.44 0.42 -1.33 0.00 0.00 177.39 175.11 2dkz s THR 54 N -1.41 1.66 0.52 -5.08 -4.23 -1.26 -5.01 115.64 100.83 2dkz s THR 54 Ca 0.74 -2.17 0.26 0.00 -1.18 0.00 0.00 61.69 59.34 2dkz s THR 54 Cb -0.43 -2.00 0.42 0.00 1.34 0.00 0.00 72.50 71.83 2dkz s THR 54 CO 0.48 -0.60 1.95 -0.08 -0.54 0.00 0.00 174.62 175.84 2dkz h GLU 55 N 2.64 0.05 -0.14 3.99 4.81 -1.95 0.22 114.58 124.21 2dkz h GLU 55 Ca -0.38 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.66 2dkz h GLU 55 Cb 1.22 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2dkz h GLU 55 CO 0.61 0.03 -0.63 0.93 -0.73 0.00 0.00 179.01 179.23 2dkz h GLU 56 N 0.05 0.67 0.00 1.92 5.08 -1.97 -2.96 114.58 117.37 2dkz h GLU 56 Ca 0.32 -0.54 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 2dkz h GLU 56 Cb 1.21 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.55 2dkz h GLU 56 CO -0.02 1.15 -0.52 0.82 -1.00 0.00 0.00 179.01 179.45 2dkz h ILE 57 N 0.34 1.12 0.00 3.13 2.04 -1.42 0.16 117.51 122.88 2dkz h ILE 57 Ca -0.04 -1.95 -0.07 0.00 1.00 0.00 0.00 64.86 63.80 2dkz h ILE 57 Cb 1.27 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 39.47 2dkz h ILE 57 CO 0.13 0.51 -0.33 -0.07 0.00 0.00 0.00 178.15 178.39 2dkz h LEU 58 N 0.00 0.00 0.00 1.44 3.38 -0.65 -1.04 115.31 118.44 2dkz h LEU 58 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2dkz h LEU 58 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2dkz h LEU 58 CO 0.07 0.33 -2.15 -0.24 0.09 0.00 0.00 178.44 176.54 2dkz n SER 59 N -3.56 0.40 -0.01 -0.43 2.88 -1.12 -0.22 113.62 111.56 2dkz n SER 59 Ca -0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2dkz n SER 59 Cb 0.47 1.30 -0.00 0.00 -0.75 0.00 0.00 64.21 65.22 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 -0.06 0.00 -1.46 4.39 -0.65 -3.19 114.58 113.61 2dkz h GLU 60 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2dkz h GLU 60 Cb 1.72 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2dkz h GLU 60 CO 0.02 -0.04 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.37 2dkz h ASP 61 N -0.86 0.00 -0.65 1.42 3.32 -1.41 -3.38 116.42 114.85 2dkz h ASP 61 Ca -0.01 0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.12 2dkz h ASP 61 Cb 0.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 2dkz h ASP 61 CO 0.01 0.10 0.32 -0.26 -1.72 0.00 0.00 179.24 177.70 2dkz h PHE 62 N -0.20 0.58 -3.02 4.55 0.04 -1.57 -3.46 116.94 113.86 2dkz h PHE 62 Ca 0.00 0.03 -0.40 0.00 2.80 0.00 0.00 57.97 60.39 2dkz h PHE 62 Cb 0.01 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 2dkz h PHE 62 CO -0.00 0.24 -0.51 1.63 -0.60 0.00 0.00 178.31 179.06 2dkz n LYS 63 N -4.86 -1.73 -0.47 1.51 4.76 0.70 -4.94 118.16 113.13 2dkz n LYS 63 Ca 0.09 0.98 -0.30 0.00 -2.87 0.00 0.00 58.31 56.21 2dkz n LYS 63 Cb 0.22 -5.63 0.28 0.00 -1.84 0.00 0.00 35.03 28.06 2dkz n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dkz s LEU 64 N -5.96 -0.67 0.58 -0.35 1.43 -0.93 -4.95 118.68 107.83 2dkz s LEU 64 Ca 0.00 0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 53.83 2dkz s LEU 64 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2dkz s LEU 64 CO 0.00 -5.09 1.22 -0.44 0.23 0.00 0.00 176.35 172.27 2dkz s SER 65 N -3.13 5.27 0.47 2.29 0.01 -1.26 -4.73 113.70 112.61 2dkz s SER 65 Ca 0.69 2.42 0.21 0.00 1.31 0.00 0.00 55.95 60.58 2dkz s SER 65 Cb -0.15 -2.60 1.22 0.00 0.21 0.00 0.00 66.02 64.70 2dkz s SER 65 CO 0.59 -1.54 1.91 0.07 0.41 0.00 0.00 173.24 174.68 2dkz h LYS 66 N 1.04 0.24 -0.01 12.44 2.10 -1.99 0.71 116.57 131.09 2dkz h LYS 66 Ca -0.50 -0.01 -0.25 0.00 -2.00 0.00 0.00 60.65 57.88 2dkz h LYS 66 Cb 1.29 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.59 2dkz h LYS 66 CO 0.56 0.16 -1.00 -0.07 -2.00 0.00 0.00 179.45 177.10 2dkz h LEU 67 N 0.24 0.81 0.10 7.07 -0.00 -1.99 -2.95 115.31 118.60 2dkz h LEU 67 Ca 0.39 -0.64 -0.00 0.00 -0.00 0.00 0.00 57.88 57.63 2dkz h LEU 67 Cb 1.16 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 41.58 2dkz h LEU 67 CO -0.09 1.44 -0.05 1.56 -0.00 0.00 0.00 178.44 181.30 2dkz h GLN 68 N 0.36 -0.13 -0.24 1.13 4.20 -1.31 -0.45 115.11 118.68 2dkz h GLN 68 Ca -0.11 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.68 2dkz h GLN 68 Cb 1.64 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 2dkz h GLN 68 CO 0.19 0.18 0.18 0.28 -0.67 0.00 0.00 178.83 179.00 2dkz h VAL 69 N -0.45 0.79 0.00 -0.54 2.07 -1.10 0.22 116.25 117.23 2dkz h VAL 69 Ca -0.01 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 2dkz h VAL 69 Cb 0.38 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2dkz h VAL 69 CO 0.02 0.00 -0.90 0.50 0.02 0.00 0.00 177.57 177.21 2dkz h LYS 70 N 0.00 0.00 0.00 1.57 3.64 -1.33 -3.14 116.57 117.32 2dkz h LYS 70 Ca 0.11 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2dkz h LYS 70 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2dkz h LYS 70 CO -0.00 0.52 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.41 2dkz h LYS 71 N 0.00 0.00 -0.47 1.90 3.64 0.77 -3.17 116.57 119.24 2dkz h LYS 71 Ca -0.06 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2dkz h LYS 71 Cb 1.54 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.30 2dkz h LYS 71 CO 0.07 0.93 0.17 0.82 -2.27 0.00 0.00 179.45 179.18 2dkz h ILE 72 N -1.00 0.85 -0.91 2.00 2.04 -0.83 -1.57 117.51 118.09 2dkz h ILE 72 Ca -0.02 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.80 2dkz h ILE 72 Cb 0.95 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.44 2dkz h ILE 72 CO -0.01 0.06 0.57 0.24 0.00 0.00 0.00 178.15 179.01 2dkz h MET 73 N 0.35 0.97 0.00 2.37 2.86 -1.69 -0.14 114.93 119.65 2dkz h MET 73 Ca 0.22 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2dkz h MET 73 Cb 0.22 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2dkz h MET 73 CO -0.22 0.64 -0.26 1.96 1.06 0.00 0.00 176.91 180.09 2dkz h GLN 74 N 1.00 0.00 0.00 1.72 4.20 -1.29 -2.32 115.11 118.42 2dkz h GLN 74 Ca 0.41 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.98 2dkz h GLN 74 Cb 0.25 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2dkz h GLN 74 CO -0.20 0.26 -0.67 0.35 -0.67 0.00 0.00 178.83 177.90 2dkz h PHE 75 N 0.00 0.00 0.09 2.96 3.57 -0.18 -0.41 116.94 122.97 2dkz h PHE 75 Ca -0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 2dkz h PHE 75 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2dkz h PHE 75 CO 0.00 0.67 -0.05 0.82 -2.23 0.00 0.00 178.31 177.52 2dkz h ILE 76 N 0.00 0.00 0.00 1.41 2.04 -0.90 -3.33 117.51 116.73 2dkz h ILE 76 Ca -0.01 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 2dkz h ILE 76 Cb 1.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2dkz h ILE 76 CO 0.09 0.00 -0.09 0.78 0.00 0.00 0.00 178.15 178.93 2dkz h ASN 77 N -0.65 0.00 -4.69 1.72 2.35 -1.57 -3.48 115.58 109.27 2dkz h ASN 77 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2dkz h ASN 77 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2dkz h ASN 77 CO 0.02 0.09 -0.17 0.61 -1.65 0.00 0.00 177.43 176.33 2dkz n GLY 78 N -1.01 -1.06 3.69 2.83 0.00 -0.17 -5.04 105.19 104.43 2dkz n GLY 78 Ca -0.02 0.56 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.47 5.16 0.12 1.61 0.15 -1.16 -5.02 113.70 112.10 2dkz s SER 79 Ca 0.08 -0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2dkz s SER 79 Cb -0.02 -1.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.93 2dkz s SER 79 CO 0.55 0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.88 2dkz n GLY 80 N 1.36 -2.00 3.75 9.45 0.00 -1.26 -4.93 105.19 111.56 2dkz n GLY 80 Ca -0.14 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.15 1.98 -0.06 1.61 0.04 -1.26 -5.07 135.00 130.08 2dkz s PRO 81 Ca 0.00 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.08 2dkz s PRO 81 Cb 0.00 -1.87 0.04 0.00 0.04 0.00 0.00 34.50 32.71 2dkz s PRO 81 CO 0.00 -1.81 0.12 -1.12 0.04 0.00 0.00 177.00 174.23 2dkz s SER 82 N -3.41 0.64 -1.31 6.66 0.01 -1.26 -4.85 113.70 110.19 2dkz s SER 82 Ca 0.62 0.24 -0.05 0.00 1.31 0.00 0.00 55.95 58.07 2dkz s SER 82 Cb -0.17 0.13 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2dkz s SER 82 CO 0.56 -0.22 0.35 -0.24 0.41 0.00 0.00 173.24 174.10 2dkz n SER 83 N 5.04 -4.46 0.00 2.44 2.88 -1.26 -5.28 113.62 112.98 2dkz n SER 83 Ca -0.10 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2dkz n SER 83 Cb 0.50 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 2dkz n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42