#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 7.16 -0.78 1.61 0.15 -1.26 -4.98 113.70 115.60 2dkz s SER 2 Ca 0.00 1.75 0.03 0.00 0.70 0.00 0.00 55.95 58.42 2dkz s SER 2 Cb 0.00 -2.56 0.24 0.00 -1.71 0.00 0.00 66.02 61.99 2dkz s SER 2 CO 0.00 -0.47 0.86 -1.20 1.20 0.00 0.00 173.24 173.62 2dkz n SER 3 N 4.71 4.24 -2.69 5.45 7.64 -1.26 -4.80 113.62 126.90 2dkz n SER 3 Ca 0.09 -3.35 -0.06 0.00 1.01 0.00 0.00 58.87 56.56 2dkz n SER 3 Cb 0.48 -0.86 0.10 0.00 -1.01 0.00 0.00 64.21 62.92 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 1.35 -0.52 3.39 0.23 0.00 -1.26 -5.16 105.19 103.22 2dkz n GLY 4 Ca 0.26 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.69 -0.46 -0.10 1.61 1.04 -1.26 -5.16 113.70 108.68 2dkz s SER 5 Ca 0.21 0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.67 2dkz s SER 5 Cb 0.29 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.97 2dkz s SER 5 CO -0.13 -0.86 -0.14 -0.55 0.98 0.00 0.00 173.24 172.53 2dkz s SER 6 N -2.48 2.28 0.00 7.02 0.15 -1.26 -5.10 113.70 114.31 2dkz s SER 6 Ca -0.01 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2dkz s SER 6 Cb -0.00 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2dkz s SER 6 CO -0.09 0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dkz n GLY 7 N 4.12 0.42 3.72 9.45 0.00 -1.26 -5.15 105.19 116.48 2dkz n GLY 7 Ca -0.20 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.90 1.33 0.03 1.61 0.04 -1.26 -5.07 135.00 129.78 2dkz s PRO 8 Ca 0.00 0.84 0.07 0.00 0.04 0.00 0.00 61.00 61.95 2dkz s PRO 8 Cb 0.00 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 2dkz s PRO 8 CO 0.00 -2.20 -0.20 -0.46 0.04 0.00 0.00 177.00 174.18 2dkz s TRP 9 N -2.93 1.77 0.05 0.56 -0.00 -1.26 -5.15 118.94 111.98 2dkz s TRP 9 Ca 0.63 -0.36 -0.04 0.00 -0.00 0.00 0.00 56.10 56.33 2dkz s TRP 9 Cb -0.18 -1.07 -0.02 0.00 -0.00 0.00 0.00 33.47 32.20 2dkz s TRP 9 CO 0.57 0.06 0.06 1.14 -0.00 0.00 0.00 176.95 178.78 2dkz s GLN 10 N -1.00 0.63 0.56 5.86 -2.07 -1.26 -5.08 119.66 117.32 2dkz s GLN 10 Ca 0.07 -0.96 -0.19 0.00 -1.82 0.00 0.00 55.36 52.46 2dkz s GLN 10 Cb -0.08 0.24 -0.05 0.00 -1.09 0.00 0.00 33.01 32.03 2dkz s GLN 10 CO 0.01 -0.15 1.13 -1.25 -1.32 0.00 0.00 175.29 173.71 2dkz s PRO 11 N -3.29 3.25 1.03 9.60 0.04 -1.26 -5.04 135.00 139.33 2dkz s PRO 11 Ca 0.01 1.57 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 2dkz s PRO 11 Cb 0.03 -2.00 0.26 0.00 0.04 0.00 0.00 34.50 32.83 2dkz s PRO 11 CO -0.08 -0.92 0.92 -0.35 0.04 0.00 0.00 177.00 176.61 2dkz n PRO 12 N -1.51 -2.82 -0.04 0.56 -0.04 -1.26 -5.00 135.00 124.89 2dkz n PRO 12 Ca 0.11 -1.47 -0.02 0.00 -0.04 0.00 0.00 63.50 62.09 2dkz n PRO 12 Cb 0.51 -1.38 -0.14 0.00 -0.04 0.00 0.00 33.50 32.45 2dkz n PRO 12 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dkz n ALA 13 N -4.58 1.95 0.01 0.55 0.00 -1.26 -4.37 120.51 112.81 2dkz n ALA 13 Ca -0.17 -0.91 -0.13 0.00 0.00 0.00 0.00 53.44 52.23 2dkz n ALA 13 Cb 0.49 -0.54 -0.14 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 0.16 -4.11 0.00 3.32 -1.97 -3.48 116.42 110.34 2dkz h ASP 14 Ca -0.30 -0.30 -0.29 0.00 0.02 0.00 0.00 57.03 56.15 2dkz h ASP 14 Cb 1.75 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 2dkz h ASP 14 CO 0.03 1.26 -0.40 0.18 -1.72 0.00 0.00 179.24 178.60 2dkz n LEU 15 N -3.24 -1.39 -1.13 1.55 4.32 -1.26 -4.83 117.00 111.01 2dkz n LEU 15 Ca -0.18 0.04 -0.04 0.00 -0.02 0.00 0.00 56.01 55.81 2dkz n LEU 15 Cb 1.04 -2.26 0.19 0.00 -1.62 0.00 0.00 43.42 40.77 2dkz n LEU 15 CO 0.46 -0.06 0.61 -1.20 -1.22 0.00 0.00 177.39 175.99 2dkz n SER 16 N -1.96 2.54 -0.80 -1.43 7.64 -1.26 -3.79 113.62 114.56 2dkz n SER 16 Ca -0.13 -3.82 -0.02 0.00 1.01 0.00 0.00 58.87 55.91 2dkz n SER 16 Cb 0.60 -0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.75 3.85 0.23 0.00 -1.26 -4.81 105.19 102.85 2dkz n GLY 17 Ca 0.32 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 4.12 0.52 0.99 1.43 -1.26 -5.02 118.68 119.45 2dkz s LEU 18 Ca 0.03 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2dkz s LEU 18 Cb 0.04 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.66 2dkz s LEU 18 CO -0.02 0.21 0.72 -0.94 0.23 0.00 0.00 176.35 176.55 2dkz s SER 19 N -2.21 5.38 0.56 2.29 1.04 -1.26 -1.69 113.70 117.80 2dkz s SER 19 Ca 0.30 -0.11 0.27 0.00 0.48 0.00 0.00 55.95 56.88 2dkz s SER 19 Cb -0.12 -0.83 1.49 0.00 0.10 0.00 0.00 66.02 66.66 2dkz s SER 19 CO 0.22 -1.04 2.02 0.40 0.98 0.00 0.00 173.24 175.81 2dkz h ILE 20 N 0.22 0.59 0.00 -1.02 2.04 -1.93 0.22 117.51 117.63 2dkz h ILE 20 Ca -0.42 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.29 2dkz h ILE 20 Cb 1.29 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2dkz h ILE 20 CO 0.50 0.00 -0.82 -0.08 0.00 0.00 0.00 178.15 177.75 2dkz h GLU 21 N 0.00 0.00 -0.07 2.37 4.81 -1.93 -3.32 114.58 116.44 2dkz h GLU 21 Ca 0.18 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.21 2dkz h GLU 21 Cb 0.83 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.22 2dkz h GLU 21 CO -0.00 0.65 -0.73 0.93 -0.73 0.00 0.00 179.01 179.13 2dkz h GLU 22 N 0.00 0.61 -0.99 1.92 4.39 -0.96 -3.24 114.58 116.32 2dkz h GLU 22 Ca -0.04 -0.57 0.16 0.00 0.34 0.00 0.00 59.36 59.25 2dkz h GLU 22 Cb 1.57 0.14 -0.09 0.00 -0.10 0.00 0.00 28.75 30.27 2dkz h GLU 22 CO 0.09 1.19 0.62 0.28 -1.16 0.00 0.00 179.01 180.02 2dkz h VAL 23 N 0.25 0.80 -0.55 3.13 2.07 -1.40 0.18 116.25 120.73 2dkz h VAL 23 Ca -0.07 -0.28 0.16 0.00 0.82 0.00 0.00 66.70 67.33 2dkz h VAL 23 Cb 1.39 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2dkz h VAL 23 CO 0.15 0.15 0.44 0.28 0.02 0.00 0.00 177.57 178.60 2dkz h SER 24 N 0.82 0.00 0.29 0.57 0.02 -1.65 -0.05 113.55 113.56 2dkz h SER 24 Ca 0.53 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.18 2dkz h SER 24 Cb 0.74 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 2dkz h SER 24 CO -0.30 0.00 -1.96 0.29 -1.14 0.00 0.00 176.83 173.71 2dkz n LYS 25 N -4.17 0.66 -0.18 3.45 5.02 0.50 -4.05 118.16 119.38 2dkz n LYS 25 Ca 0.10 0.14 0.19 0.00 -2.02 0.00 0.00 58.31 56.72 2dkz n LYS 25 Cb 0.66 -1.67 0.56 0.00 -0.02 0.00 0.00 35.03 34.56 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 0.30 1.16 4.39 0.02 0.39 0.22 113.55 120.04 2dkz h SER 26 Ca -0.36 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.46 2dkz h SER 26 Cb 2.00 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.49 2dkz h SER 26 CO 0.05 0.14 -0.87 -0.07 -1.14 0.00 0.00 176.83 174.94 2dkz h LEU 27 N 0.31 0.00 -1.90 5.07 3.38 -1.68 -3.28 115.31 117.21 2dkz h LEU 27 Ca 0.41 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.53 2dkz h LEU 27 Cb 1.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2dkz h LEU 27 CO -0.12 0.68 0.43 -0.09 0.09 0.00 0.00 178.44 179.43 2dkz h ARG 28 N 0.00 0.10 -0.46 1.13 9.65 -0.71 0.67 114.38 124.76 2dkz h ARG 28 Ca -0.05 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.91 2dkz h ARG 28 Cb 1.56 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 30.05 2dkz h ARG 28 CO 0.08 0.06 0.05 0.35 2.80 0.00 0.00 179.97 183.31 2dkz h PHE 29 N 0.10 0.06 0.00 2.20 3.57 -1.61 -2.35 116.94 118.92 2dkz h PHE 29 Ca 0.29 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.65 2dkz h PHE 29 Cb 1.02 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 2dkz h PHE 29 CO -0.00 -0.05 -1.22 -0.84 -2.23 0.00 0.00 178.31 173.97 2dkz h ILE 30 N 0.17 0.71 -2.93 1.41 3.07 -1.50 -3.50 117.51 114.94 2dkz h ILE 30 Ca 0.23 -2.23 0.00 0.00 1.55 0.00 0.00 64.86 64.41 2dkz h ILE 30 Cb 0.32 2.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2dkz h ILE 30 CO -0.34 0.40 0.00 0.61 -1.05 0.00 0.00 178.15 177.77 2dkz n GLY 31 N 1.37 -2.78 3.15 0.16 0.00 0.12 -5.11 105.19 102.10 2dkz n GLY 31 Ca -0.07 -0.29 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 0.00 -4.76 0.99 4.77 -1.25 -5.04 117.00 111.71 2dkz n LEU 32 Ca 0.00 -2.55 -0.40 0.00 -0.03 0.00 0.00 56.01 53.03 2dkz n LEU 32 Cb 0.00 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2dkz n LEU 32 CO 0.00 -0.46 0.89 -0.44 -1.33 0.00 0.00 177.39 176.05 2dkz s SER 33 N -3.56 7.01 0.52 -1.43 0.01 -1.26 -4.90 113.70 110.09 2dkz s SER 33 Ca 0.14 2.49 0.26 0.00 1.31 0.00 0.00 55.95 60.15 2dkz s SER 33 Cb -0.01 -2.64 1.39 0.00 0.21 0.00 0.00 66.02 64.97 2dkz s SER 33 CO 0.09 -0.35 1.96 1.05 0.41 0.00 0.00 173.24 176.40 2dkz h GLU 34 N 3.61 0.04 -0.24 12.44 4.11 -2.00 -0.32 114.58 132.23 2dkz h GLU 34 Ca -0.48 -0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.86 2dkz h GLU 34 Cb 1.22 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2dkz h GLU 34 CO 0.66 0.03 -0.19 -0.44 0.07 0.00 0.00 179.01 179.13 2dkz h ASP 35 N 0.04 0.58 0.26 3.06 5.19 -1.99 -2.72 116.42 120.85 2dkz h ASP 35 Ca 0.31 -0.46 -0.00 0.00 -0.62 0.00 0.00 57.03 56.26 2dkz h ASP 35 Cb 1.19 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 2dkz h ASP 35 CO -0.02 0.92 -0.23 0.58 -3.12 0.00 0.00 179.24 177.37 2dkz h VAL 36 N 0.26 0.51 -0.25 -1.35 2.07 -1.44 0.22 116.25 116.28 2dkz h VAL 36 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2dkz h VAL 36 Cb 0.73 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 2dkz h VAL 36 CO 0.05 0.00 -0.19 0.40 0.02 0.00 0.00 177.57 177.85 2dkz h ILE 37 N -0.51 0.48 0.00 4.57 2.04 -1.52 0.16 117.51 122.73 2dkz h ILE 37 Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2dkz h ILE 37 Cb 0.46 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2dkz h ILE 37 CO -0.03 0.00 -0.16 -1.28 0.00 0.00 0.00 178.15 176.69 2dkz h SER 38 N -0.19 0.00 0.31 1.72 0.87 -1.31 -1.91 113.55 113.04 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 0.39 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2dkz h SER 38 CO -0.36 0.16 -0.15 -0.26 -0.53 0.00 0.00 176.83 175.68 2dkz h PHE 39 N 0.00 0.00 0.00 2.24 0.04 0.15 -1.15 116.94 118.22 2dkz h PHE 39 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2dkz h PHE 39 Cb 0.36 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.50 2dkz h PHE 39 CO 0.00 0.15 -0.19 0.74 -0.60 0.00 0.00 178.31 178.41 2dkz h PHE 40 N 0.00 0.00 -0.68 -0.55 -1.00 -0.98 -3.20 116.94 110.53 2dkz h PHE 40 Ca -0.00 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.88 2dkz h PHE 40 Cb 0.35 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 39.84 2dkz h PHE 40 CO 0.00 0.45 0.31 0.28 -1.61 0.00 0.00 178.31 177.74 2dkz h VAL 41 N -1.00 0.81 0.00 -0.55 2.07 -1.50 0.15 116.25 116.23 2dkz h VAL 41 Ca -0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2dkz h VAL 41 Cb 0.50 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2dkz h VAL 41 CO -0.02 0.10 -0.06 0.00 0.02 0.00 0.00 177.57 177.60 2dkz h THR 42 N 0.53 0.56 -0.59 2.57 1.03 -1.37 -1.00 112.91 114.65 2dkz h THR 42 Ca 0.34 -0.27 -0.15 0.00 -0.01 0.00 0.00 66.41 66.32 2dkz h THR 42 Cb 0.40 1.17 -0.09 0.00 -1.07 0.00 0.00 68.15 68.56 2dkz h THR 42 CO -0.29 0.06 0.19 -0.62 -0.01 0.00 0.00 175.52 174.85 2dkz n GLU 43 N -3.76 3.35 -2.01 0.00 -0.58 0.32 -4.87 120.64 113.09 2dkz n GLU 43 Ca -0.02 -2.48 -0.17 0.00 -0.42 0.00 0.00 57.16 54.07 2dkz n GLU 43 Cb 0.16 -2.05 -0.04 0.00 -0.57 0.00 0.00 31.44 28.94 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 0.01 -1.69 -2.42 3.49 4.81 -0.38 -4.90 118.16 117.09 2dkz n LYS 44 Ca 0.32 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 58.22 2dkz n LYS 44 Cb 1.17 -5.38 -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 -2.65 4.25 0.05 3.15 -1.09 -0.00 -5.00 121.20 119.92 2dkz s ILE 45 Ca 0.00 1.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.95 2dkz s ILE 45 Cb 0.00 -3.99 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2dkz s ILE 45 CO 0.00 -0.11 0.01 -0.90 -1.23 0.00 0.00 174.94 172.71 2dkz n ASP 46 N 6.33 1.93 0.08 3.58 5.75 -1.26 -4.38 116.55 128.59 2dkz n ASP 46 Ca 0.13 -1.21 -0.13 0.00 -0.01 0.00 0.00 54.79 53.58 2dkz n ASP 46 Cb 0.45 0.03 -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 0.11 -0.15 2.00 6.12 0.00 -1.52 0.18 103.07 109.81 2dkz h GLY 47 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2dkz h GLY 47 CO 0.06 -0.05 -0.11 -0.57 0.00 0.00 0.00 176.54 175.87 2dkz h ASN 48 N -0.22 0.00 0.10 0.19 -1.24 -1.75 -2.41 115.58 110.25 2dkz h ASN 48 Ca -0.01 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.78 2dkz h ASN 48 Cb 0.18 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.25 2dkz h ASN 48 CO 0.02 0.11 -0.90 0.25 -1.29 0.00 0.00 177.43 175.63 2dkz h LEU 49 N 0.00 0.61 -0.29 0.34 7.12 -1.80 -3.02 115.31 118.28 2dkz h LEU 49 Ca -0.00 -0.87 0.03 0.00 0.13 0.00 0.00 57.88 57.18 2dkz h LEU 49 Cb 0.24 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 40.14 2dkz h LEU 49 CO 0.01 1.42 0.09 0.25 -0.13 0.00 0.00 178.44 180.08 2dkz h LEU 50 N -0.11 0.08 -1.86 2.25 5.85 -0.29 0.21 115.31 121.44 2dkz h LEU 50 Ca -0.14 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2dkz h LEU 50 Cb 1.65 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.71 2dkz h LEU 50 CO 0.17 0.08 -0.13 -0.37 -0.34 0.00 0.00 178.44 177.85 2dkz h VAL 51 N 0.21 0.69 0.00 1.05 -1.51 -1.56 -2.26 116.25 112.88 2dkz h VAL 51 Ca 0.13 -0.55 -0.23 0.00 -1.23 0.00 0.00 66.70 64.82 2dkz h VAL 51 Cb 0.11 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 30.57 2dkz h VAL 51 CO -0.14 0.13 -1.18 1.56 -1.23 0.00 0.00 177.57 176.71 2dkz h GLN 52 N 0.00 0.01 -6.81 5.19 4.20 -1.08 -3.46 115.11 113.15 2dkz h GLN 52 Ca -0.00 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 58.13 2dkz h GLN 52 Cb 0.33 0.01 0.13 0.00 0.30 0.00 0.00 27.48 28.24 2dkz h GLN 52 CO 0.02 0.89 0.44 1.28 -0.67 0.00 0.00 178.83 180.78 2dkz n LEU 53 N -3.28 3.88 -4.57 1.46 4.77 0.62 -5.02 117.00 114.86 2dkz n LEU 53 Ca -0.04 1.09 -0.26 0.00 -0.03 0.00 0.00 56.01 56.76 2dkz n LEU 53 Cb 0.97 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.47 2dkz n LEU 53 CO 0.47 -0.80 -0.28 0.42 -1.33 0.00 0.00 177.39 175.87 2dkz s THR 54 N -1.22 1.72 0.41 -5.08 -4.23 -1.26 -5.01 115.64 100.97 2dkz s THR 54 Ca 0.62 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.33 2dkz s THR 54 Cb -0.51 -2.92 0.21 0.00 1.34 0.00 0.00 72.50 70.63 2dkz s THR 54 CO 0.57 0.00 1.99 -0.08 -0.54 0.00 0.00 174.62 176.56 2dkz h GLU 55 N 1.87 0.00 -0.17 3.99 4.81 -1.95 -1.18 114.58 121.95 2dkz h GLU 55 Ca -0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 2dkz h GLU 55 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2dkz h GLU 55 CO 0.77 0.19 -0.25 0.93 -0.73 0.00 0.00 179.01 179.93 2dkz h GLU 56 N 0.00 0.47 -0.04 1.92 4.39 -1.99 -2.81 114.58 116.53 2dkz h GLU 56 Ca -0.00 -0.28 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 2dkz h GLU 56 Cb 0.41 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2dkz h GLU 56 CO 0.03 0.87 -0.60 0.82 -1.16 0.00 0.00 179.01 178.96 2dkz h ILE 57 N 0.11 1.40 0.00 3.13 2.04 -1.91 0.22 117.51 122.51 2dkz h ILE 57 Ca 0.02 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 2dkz h ILE 57 Cb 0.82 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2dkz h ILE 57 CO 0.06 0.58 -0.23 -0.07 0.00 0.00 0.00 178.15 178.49 2dkz h LEU 58 N 0.11 0.00 0.00 1.44 3.38 -1.21 0.13 115.31 119.16 2dkz h LEU 58 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2dkz h LEU 58 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 2dkz h LEU 58 CO 0.09 0.23 -2.23 -0.24 0.09 0.00 0.00 178.44 176.38 2dkz n SER 59 N -3.78 0.12 -0.05 -0.43 2.88 -1.06 -0.12 113.62 111.17 2dkz n SER 59 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.51 2dkz n SER 59 Cb 0.33 1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 65.11 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 -0.41 -3.22 114.58 113.87 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 1.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.44 2dkz h GLU 60 CO 0.02 0.05 0.00 -3.47 -1.16 0.00 0.00 179.01 174.45 2dkz n ASP 61 N -4.75 0.00 -0.26 1.42 2.03 0.44 -4.32 116.55 111.10 2dkz n ASP 61 Ca -0.01 0.41 0.02 0.00 0.52 0.00 0.00 54.79 55.73 2dkz n ASP 61 Cb 0.05 -0.42 0.15 0.00 -0.72 0.00 0.00 41.12 40.18 2dkz n ASP 61 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2dkz h PHE 62 N 0.00 0.70 -4.42 -0.67 -1.00 -1.57 -3.46 116.94 106.52 2dkz h PHE 62 Ca 0.00 0.03 -0.41 0.00 2.81 0.00 0.00 57.97 60.40 2dkz h PHE 62 Cb 0.00 -0.20 0.05 0.00 3.61 0.00 0.00 35.95 39.40 2dkz h PHE 62 CO 0.00 0.26 -0.60 1.63 -1.61 0.00 0.00 178.31 177.99 2dkz n LYS 63 N -4.83 -4.56 -0.67 1.51 5.02 0.83 -4.94 118.16 110.51 2dkz n LYS 63 Ca 0.12 0.89 -0.23 0.00 -2.02 0.00 0.00 58.31 57.07 2dkz n LYS 63 Cb 0.28 -5.74 0.20 0.00 -0.02 0.00 0.00 35.03 29.76 2dkz n LYS 63 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2dkz n LEU 64 N -3.94 0.00 -4.87 -0.35 4.77 -0.88 -4.96 117.00 106.78 2dkz n LEU 64 Ca -0.12 -0.85 -0.31 0.00 -0.03 0.00 0.00 56.01 54.70 2dkz n LEU 64 Cb 0.62 -0.77 0.01 0.00 -2.33 0.00 0.00 43.42 40.95 2dkz n LEU 64 CO 0.46 -2.03 0.71 -0.55 -1.33 0.00 0.00 177.39 174.65 2dkz s SER 65 N -3.58 6.27 0.17 -1.43 0.15 -1.26 -4.82 113.70 109.19 2dkz s SER 65 Ca 0.54 1.42 -0.15 0.00 0.70 0.00 0.00 55.95 58.46 2dkz s SER 65 Cb -0.06 -2.47 0.13 0.00 -1.71 0.00 0.00 66.02 61.91 2dkz s SER 65 CO 0.42 -0.84 1.71 0.50 1.20 0.00 0.00 173.24 176.23 2dkz h LYS 66 N -0.20 0.16 -0.49 5.44 3.64 -1.98 0.12 116.57 123.26 2dkz h LYS 66 Ca -0.44 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 2dkz h LYS 66 Cb 1.19 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2dkz h LYS 66 CO 0.62 0.10 0.31 1.25 -2.27 0.00 0.00 179.45 179.47 2dkz h LEU 67 N 0.16 0.53 0.59 5.20 7.12 -1.98 -1.64 115.31 125.29 2dkz h LEU 67 Ca 0.21 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.18 2dkz h LEU 67 Cb 0.28 -0.13 0.01 0.00 -0.53 0.00 0.00 40.66 40.29 2dkz h LEU 67 CO -0.30 0.38 -0.29 1.56 -0.13 0.00 0.00 178.44 179.66 2dkz h GLN 68 N 0.64 -0.77 -0.67 1.25 4.20 -1.74 0.24 115.11 118.26 2dkz h GLN 68 Ca 0.18 0.05 0.19 0.00 0.06 0.00 0.00 58.65 59.14 2dkz h GLN 68 Cb -0.05 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 2dkz h GLN 68 CO -0.05 -0.48 0.52 0.28 -0.67 0.00 0.00 178.83 178.42 2dkz h VAL 69 N -0.88 0.57 0.04 -0.54 2.07 -0.69 0.26 116.25 117.08 2dkz h VAL 69 Ca -0.08 0.00 -0.27 0.00 0.82 0.00 0.00 66.70 67.17 2dkz h VAL 69 Cb 0.64 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 2dkz h VAL 69 CO 0.13 0.00 -1.40 0.50 0.02 0.00 0.00 177.57 176.82 2dkz h LYS 70 N 0.00 0.09 0.00 1.57 3.11 -0.85 -2.57 116.57 117.92 2dkz h LYS 70 Ca 0.32 -0.16 -0.11 0.00 -2.81 0.00 0.00 60.65 57.89 2dkz h LYS 70 Cb 1.35 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.63 2dkz h LYS 70 CO -0.00 0.90 -0.50 -0.22 -2.81 0.00 0.00 179.45 176.81 2dkz h LYS 71 N 0.03 0.00 0.00 1.90 3.64 0.26 -2.65 116.57 119.74 2dkz h LYS 71 Ca -0.18 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.11 2dkz h LYS 71 Cb 1.93 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 2dkz h LYS 71 CO 0.13 0.50 -0.55 0.82 -2.27 0.00 0.00 179.45 178.08 2dkz h ILE 72 N 0.00 1.24 -0.43 2.00 2.04 -0.76 -3.31 117.51 118.29 2dkz h ILE 72 Ca -0.01 -2.13 0.06 0.00 1.00 0.00 0.00 64.86 63.78 2dkz h ILE 72 Cb 1.16 2.55 -0.05 0.00 -0.74 0.00 0.00 36.82 39.73 2dkz h ILE 72 CO 0.07 0.42 0.13 0.24 0.00 0.00 0.00 178.15 179.01 2dkz h MET 73 N -1.00 0.28 -0.29 2.37 2.86 -1.56 0.04 114.93 117.64 2dkz h MET 73 Ca -0.15 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.56 2dkz h MET 73 Cb 1.05 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 2dkz h MET 73 CO -0.09 0.19 0.29 -0.56 1.06 0.00 0.00 176.91 177.79 2dkz h GLN 74 N 0.29 0.00 0.02 1.72 3.07 -1.64 0.13 115.11 118.70 2dkz h GLN 74 Ca 0.20 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.71 2dkz h GLN 74 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.74 2dkz h GLN 74 CO -0.22 0.00 -1.10 0.35 0.09 0.00 0.00 178.83 177.95 2dkz h PHE 75 N 0.00 0.10 0.42 0.06 3.57 -1.09 -2.96 116.94 117.03 2dkz h PHE 75 Ca 0.14 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2dkz h PHE 75 Cb 0.71 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2dkz h PHE 75 CO 0.00 1.06 -0.20 0.82 -2.23 0.00 0.00 178.31 177.76 2dkz h ILE 76 N 0.01 0.00 0.44 1.41 2.04 -0.11 -3.35 117.51 117.95 2dkz h ILE 76 Ca -0.05 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2dkz h ILE 76 Cb 1.83 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2dkz h ILE 76 CO 0.14 0.00 -0.48 0.78 0.00 0.00 0.00 178.15 178.59 2dkz h ASN 77 N -0.94 -1.34 0.00 1.72 2.35 -1.56 -3.48 115.58 112.32 2dkz h ASN 77 Ca -0.06 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2dkz h ASN 77 Cb 0.43 0.45 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2dkz h ASN 77 CO 0.09 -0.63 0.00 0.61 -1.65 0.00 0.00 177.43 175.85 2dkz n GLY 78 N -1.54 3.02 3.76 2.83 0.00 -1.12 -5.10 105.19 107.04 2dkz n GLY 78 Ca -0.11 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2dkz n GLY 78 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dkz n SER 79 N 0.00 3.81 -3.00 1.61 2.88 -1.26 -4.87 113.62 112.79 2dkz n SER 79 Ca 0.00 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.57 2dkz n SER 79 Cb 0.00 -1.60 -0.02 0.00 -0.75 0.00 0.00 64.21 61.84 2dkz n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkz n GLY 80 N 1.40 1.05 0.44 0.46 0.00 -1.26 -4.89 105.19 102.40 2dkz n GLY 80 Ca 0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 2dkz n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dkz n PRO 81 N 2.12 -1.30 -1.80 1.61 -0.04 -1.26 -5.08 135.00 129.24 2dkz n PRO 81 Ca 0.18 -0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 2dkz n PRO 81 Cb 0.56 -0.21 0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2dkz n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dkz n SER 82 N -3.24 0.85 -3.64 3.54 2.88 -1.26 -5.14 113.62 107.61 2dkz n SER 82 Ca 0.02 -1.69 -0.04 0.00 -1.33 0.00 0.00 58.87 55.83 2dkz n SER 82 Cb 0.07 -0.36 -0.06 0.00 -0.75 0.00 0.00 64.21 63.12 2dkz n SER 82 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dkz s SER 83 N -3.32 -0.11 0.00 -3.46 0.15 -1.26 -5.33 113.70 100.37 2dkz s SER 83 Ca 0.38 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2dkz s SER 83 Cb -0.02 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dkz s SER 83 CO 0.25 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.24