#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2p n GLY 23 N 0.00 -0.12 3.27 0.00 0.00 -1.26 -4.61 105.19 102.47 2k2p n GLY 23 Ca 0.00 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 44.61 2k2p n GLY 23 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k2p s LEU 24 N 0.00 4.71 -0.36 0.99 1.43 -0.52 -4.92 118.68 120.01 2k2p s LEU 24 Ca 0.00 -1.31 -0.17 0.00 -1.03 0.00 0.00 54.13 51.62 2k2p s LEU 24 Cb 0.00 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 2k2p s LEU 24 CO 0.00 -0.42 0.45 -0.44 0.23 0.00 0.00 176.35 176.17 2k2p s SER 25 N 1.69 6.25 -0.37 2.29 0.01 -1.26 -1.26 113.70 121.04 2k2p s SER 25 Ca 0.01 -0.21 -0.06 0.00 1.31 0.00 0.00 55.95 57.00 2k2p s SER 25 Cb -0.21 -2.24 0.07 0.00 0.21 0.00 0.00 66.02 63.85 2k2p s SER 25 CO 0.02 -0.45 0.16 -0.36 0.41 0.00 0.00 173.24 173.03 2k2p s PHE 26 N 2.23 3.34 -0.95 2.43 0.08 -0.76 -4.96 117.98 119.39 2k2p s PHE 26 Ca 0.15 -1.68 -0.22 0.00 0.12 0.00 0.00 56.93 55.30 2k2p s PHE 26 Cb -0.16 -2.66 0.07 0.00 -0.57 0.00 0.00 43.02 39.70 2k2p s PHE 26 CO 0.13 -0.82 1.32 -1.01 -0.10 0.00 0.00 175.22 174.74 2k2p s HIS 27 N 1.35 2.68 -0.79 0.36 3.76 -1.26 -1.22 115.29 120.18 2k2p s HIS 27 Ca 0.01 -0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 53.76 2k2p s HIS 27 Cb -0.21 -4.56 0.05 0.00 1.11 0.00 0.00 32.58 28.97 2k2p s HIS 27 CO 0.01 -1.81 1.23 0.08 -0.85 0.00 0.00 174.74 173.40 2k2p s VAL 28 N 4.34 3.94 0.36 -0.90 1.01 -0.86 -4.80 120.40 123.49 2k2p s VAL 28 Ca 0.40 -0.09 0.26 0.00 0.00 0.00 0.00 61.98 62.55 2k2p s VAL 28 Cb -0.03 -4.89 0.27 0.00 0.00 0.00 0.00 36.38 31.73 2k2p s VAL 28 CO -0.07 -1.77 2.01 -0.33 0.00 0.00 0.00 175.10 174.94 2k2p h GLU 29 N 9.82 0.00 0.00 2.72 5.08 -1.82 -1.79 114.58 128.59 2k2p h GLU 29 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2k2p h GLU 29 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2k2p h GLU 29 CO 1.28 0.15 -0.45 -0.40 -1.00 0.00 0.00 179.01 178.59 2k2p n ASP 30 N -3.61 0.50 -4.75 1.42 5.75 -1.26 -4.83 116.55 109.75 2k2p n ASP 30 Ca -0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.36 2k2p n ASP 30 Cb 0.29 0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.42 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2k2p s MET 31 N -3.05 4.50 -0.33 0.11 1.75 -0.67 -5.04 119.30 116.55 2k2p s MET 31 Ca 0.10 1.96 0.00 0.00 -1.25 0.00 0.00 55.69 56.51 2k2p s MET 31 Cb 0.16 -3.17 0.11 0.00 2.84 0.00 0.00 34.83 34.77 2k2p s MET 31 CO 0.68 -0.03 0.11 -0.08 -0.65 0.00 0.00 175.02 175.05 2k2p s THR 32 N -0.71 1.16 0.00 10.11 -1.32 -1.26 -4.85 115.64 118.78 2k2p s THR 32 Ca 0.49 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 2k2p s THR 32 Cb -0.35 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.78 2k2p s THR 32 CO 0.43 -0.70 0.00 0.00 -2.21 0.00 0.00 174.62 172.14 2k2p h GLY 34 N 0.00 0.00 1.13 0.00 0.00 -1.92 -1.18 103.07 101.11 2k2p h GLY 34 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2k2p h GLY 34 CO 0.00 0.00 0.36 0.84 0.00 0.00 0.00 176.54 177.74 2k2p h HIS 35 N 0.00 0.33 0.00 5.60 -0.00 -2.00 -2.55 115.15 116.53 2k2p h HIS 35 Ca 0.06 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2k2p h HIS 35 Cb 0.31 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2k2p h HIS 35 CO 0.00 0.16 -1.26 0.00 -0.00 0.00 0.00 177.93 176.83 2k2p h ALA 37 N 0.97 0.27 -0.47 0.00 0.00 -0.81 -3.20 119.26 116.01 2k2p h ALA 37 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 37 Cb 0.40 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2k2p h ALA 37 CO 0.00 -0.09 0.23 0.78 0.00 0.00 0.00 179.25 180.17 2k2p h GLY 38 N 0.15 0.66 1.85 0.00 0.00 -1.79 -0.25 103.07 103.68 2k2p h GLY 38 Ca 0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 2k2p h GLY 38 CO 0.00 0.10 -0.38 -0.24 0.00 0.00 0.00 176.54 176.02 2k2p h VAL 39 N 0.46 1.29 -0.25 4.60 3.04 -1.87 -2.35 116.25 121.17 2k2p h VAL 39 Ca 0.21 -1.41 -0.09 0.00 -1.01 0.00 0.00 66.70 64.40 2k2p h VAL 39 Cb 0.13 1.65 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2k2p h VAL 39 CO -0.15 0.42 -0.20 0.40 -1.01 0.00 0.00 177.57 177.02 2k2p h ILE 40 N 0.15 1.31 -0.34 3.17 2.04 -1.36 -2.34 117.51 120.13 2k2p h ILE 40 Ca 0.02 -1.34 0.03 0.00 1.00 0.00 0.00 64.86 64.56 2k2p h ILE 40 Cb 0.74 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 2k2p h ILE 40 CO 0.06 0.42 0.17 0.11 0.00 0.00 0.00 178.15 178.90 2k2p h LYS 41 N 0.30 0.33 -0.48 2.37 1.57 -0.82 -1.95 116.57 117.89 2k2p h LYS 41 Ca 0.05 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 2k2p h LYS 41 Cb 0.74 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2k2p h LYS 41 CO 0.05 0.22 0.10 0.78 -0.57 0.00 0.00 179.45 180.03 2k2p h GLY 42 N 0.35 0.78 0.89 3.86 0.00 -1.47 -1.43 103.07 106.05 2k2p h GLY 42 Ca 0.15 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 2k2p h GLY 42 CO -0.11 0.42 -0.24 0.00 0.00 0.00 0.00 176.54 176.62 2k2p h ALA 43 N 1.41 -0.66 -0.11 3.60 0.00 -0.82 -2.74 119.26 119.92 2k2p h ALA 43 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2k2p h ALA 43 Cb 0.29 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k2p h ALA 43 CO 0.00 -0.81 -0.11 0.82 0.00 0.00 0.00 179.25 179.15 2k2p h ILE 44 N -0.78 1.36 -0.10 0.00 2.04 -1.37 -3.12 117.51 115.53 2k2p h ILE 44 Ca -0.07 -1.26 0.02 0.00 1.00 0.00 0.00 64.86 64.55 2k2p h ILE 44 Cb 0.56 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2k2p h ILE 44 CO 0.11 0.36 -0.03 -0.08 0.00 0.00 0.00 178.15 178.51 2k2p h GLU 45 N -0.12 -0.01 0.00 2.37 4.57 -1.35 -0.87 114.58 119.16 2k2p h GLU 45 Ca 0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 2k2p h GLU 45 Cb 0.63 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2k2p h GLU 45 CO 0.03 -0.01 -0.34 0.87 -1.18 0.00 0.00 179.01 178.38 2k2p h LYS 46 N -0.01 0.00 0.14 1.92 6.56 -1.58 -2.88 116.57 120.72 2k2p h LYS 46 Ca 0.05 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.33 2k2p h LYS 46 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 2k2p h LYS 46 CO -0.11 0.34 -1.57 1.15 -2.06 0.00 0.00 179.45 177.20 2k2p h THR 47 N 0.00 0.97 -2.81 -0.16 2.02 -1.44 -3.43 112.91 108.06 2k2p h THR 47 Ca -0.00 -2.43 -0.60 0.00 0.77 0.00 0.00 66.41 64.14 2k2p h THR 47 Cb 0.79 2.71 -0.40 0.00 -1.74 0.00 0.00 68.15 69.51 2k2p h THR 47 CO 0.04 0.77 -0.78 0.68 0.37 0.00 0.00 175.52 176.60 2k2p s VAL 48 N -2.52 1.20 0.04 3.16 -7.23 -0.35 -5.11 120.40 109.58 2k2p s VAL 48 Ca -0.19 -2.69 -0.33 0.00 -1.81 0.00 0.00 61.98 56.96 2k2p s VAL 48 Cb 0.05 -1.83 -0.12 0.00 0.56 0.00 0.00 36.38 35.04 2k2p s VAL 48 CO 0.80 -1.00 1.80 -2.65 -0.31 0.00 0.00 175.10 173.74 2k2p n PRO 49 N 3.25 2.37 0.00 4.82 -0.02 -1.09 -2.60 135.00 141.73 2k2p n PRO 49 Ca 0.15 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 2k2p n PRO 49 Cb 0.38 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 2k2p n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k2p n GLY 50 N 4.11 1.77 3.58 -1.23 0.00 -1.26 -5.08 105.19 107.08 2k2p n GLY 50 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2k2p n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2p s ALA 51 N -1.70 2.87 -0.71 4.61 0.00 -1.07 -4.34 121.76 121.42 2k2p s ALA 51 Ca 0.00 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.26 2k2p s ALA 51 Cb 0.00 -4.05 0.04 0.00 0.00 0.00 0.00 23.12 19.11 2k2p s ALA 51 CO 0.00 -2.77 1.23 0.00 0.00 0.00 0.00 175.76 174.22 2k2p s ALA 52 N 6.02 2.83 0.05 0.00 0.00 -0.17 -4.77 121.76 125.71 2k2p s ALA 52 Ca 0.58 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 2k2p s ALA 52 Cb -0.12 -4.18 -0.05 0.00 0.00 0.00 0.00 23.12 18.76 2k2p s ALA 52 CO 0.28 -3.14 0.77 0.14 0.00 0.00 0.00 175.76 173.81 2k2p s VAL 53 N 5.42 4.72 -0.32 0.00 -7.23 -1.25 -1.40 120.40 120.34 2k2p s VAL 53 Ca 0.34 1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 62.14 2k2p s VAL 53 Cb -0.09 -4.12 0.11 0.00 0.56 0.00 0.00 36.38 32.84 2k2p s VAL 53 CO 0.16 0.36 0.14 -2.28 -0.31 0.00 0.00 175.10 173.17 2k2p s HIS 54 N -0.06 1.00 -0.36 2.82 2.46 0.23 -4.94 115.29 116.44 2k2p s HIS 54 Ca 0.39 -1.43 -0.19 0.00 0.47 0.00 0.00 55.06 54.30 2k2p s HIS 54 Cb -0.21 -1.26 0.00 0.00 -0.13 0.00 0.00 32.58 30.98 2k2p s HIS 54 CO 0.23 -0.84 0.58 0.00 -2.47 0.00 0.00 174.74 172.24 2k2p s ALA 55 N 1.62 3.46 -0.18 1.58 0.00 -1.26 -1.14 121.76 125.84 2k2p s ALA 55 Ca 0.11 -0.96 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 2k2p s ALA 55 Cb -0.18 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2k2p s ALA 55 CO -0.24 -1.33 0.75 0.34 0.00 0.00 0.00 175.76 175.29 2k2p s ASP 56 N 1.79 6.85 0.17 0.00 -1.08 -0.24 -4.92 116.67 119.25 2k2p s ASP 56 Ca 0.22 1.04 -0.14 0.00 -0.52 0.00 0.00 52.55 53.14 2k2p s ASP 56 Cb -0.15 -2.41 0.07 0.00 -1.46 0.00 0.00 42.92 38.97 2k2p s ASP 56 CO 0.14 -0.34 1.81 1.55 0.52 0.00 0.00 175.17 178.85 2k2p h PRO 57 N 7.38 0.54 0.06 4.34 0.13 -1.91 -0.81 132.00 141.73 2k2p h PRO 57 Ca -0.30 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.67 2k2p h PRO 57 Cb 1.14 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.16 2k2p h PRO 57 CO 0.81 0.36 -0.54 0.00 -0.23 0.00 0.00 178.00 178.40 2k2p h ALA 58 N 1.21 -0.02 -0.01 -0.56 0.00 -1.99 -3.33 119.26 114.56 2k2p h ALA 58 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2k2p h ALA 58 Cb 0.02 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k2p h ALA 58 CO -0.09 0.26 -0.29 0.43 0.00 0.00 0.00 179.25 179.56 2k2p n SER 59 N -4.29 0.92 -4.40 0.00 7.64 -1.24 -4.95 113.62 107.29 2k2p n SER 59 Ca -0.12 -0.78 -0.36 0.00 1.01 0.00 0.00 58.87 58.62 2k2p n SER 59 Cb 0.68 0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.94 2k2p n SER 59 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2k2p n ARG 60 N -0.79 -1.05 -3.96 1.43 0.00 -0.31 -4.81 116.66 107.17 2k2p n ARG 60 Ca 0.11 0.14 -0.35 0.00 -0.00 0.00 0.00 57.85 57.76 2k2p n ARG 60 Cb 0.34 -4.21 -0.14 0.00 -0.00 0.00 0.00 32.46 28.45 2k2p n ARG 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2k2p s THR 61 N -3.80 2.98 -0.48 8.89 2.01 -1.22 -2.03 115.64 121.99 2k2p s THR 61 Ca 0.41 -0.73 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 2k2p s THR 61 Cb -0.24 -2.39 0.06 0.00 0.01 0.00 0.00 72.50 69.94 2k2p s THR 61 CO 1.01 0.38 0.49 -0.69 -0.69 0.00 0.00 174.62 175.12 2k2p s VAL 62 N 1.40 5.07 -0.28 3.82 1.01 -0.36 -1.07 120.40 129.99 2k2p s VAL 62 Ca 0.04 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.14 2k2p s VAL 62 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2k2p s VAL 62 CO -0.05 -0.65 0.26 -0.69 0.00 0.00 0.00 175.10 173.96 2k2p s VAL 63 N 2.10 5.26 -0.31 2.92 1.01 -0.29 -1.83 120.40 129.26 2k2p s VAL 63 Ca 0.09 0.26 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 2k2p s VAL 63 Cb -0.21 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.59 2k2p s VAL 63 CO 0.09 0.19 0.07 0.68 0.00 0.00 0.00 175.10 176.13 2k2p s VAL 64 N 1.86 3.70 0.55 2.92 -7.23 -0.39 -0.60 120.40 121.21 2k2p s VAL 64 Ca 0.10 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2k2p s VAL 64 Cb -0.16 -3.01 0.03 0.00 0.56 0.00 0.00 36.38 33.80 2k2p s VAL 64 CO 0.11 -0.05 0.78 -0.83 -0.31 0.00 0.00 175.10 174.79 2k2p s GLY 65 N 1.42 1.83 0.00 2.32 0.00 -0.49 -1.43 107.32 110.96 2k2p s GLY 65 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2k2p s GLY 65 CO 0.02 -1.06 0.00 0.61 0.00 0.00 0.00 173.10 172.67 2k2p n GLY 66 N -2.34 1.94 3.19 0.20 0.00 -1.26 -1.00 105.19 105.91 2k2p n GLY 66 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2k2p n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k2p s VAL 67 N -3.13 1.28 -0.83 1.61 -7.23 -1.26 -4.82 120.40 106.02 2k2p s VAL 67 Ca 0.00 -1.26 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 2k2p s VAL 67 Cb 0.00 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 35.81 2k2p s VAL 67 CO 0.00 -0.09 0.72 -0.24 -0.31 0.00 0.00 175.10 175.18 2k2p n SER 68 N 1.46 1.57 -3.93 4.85 2.88 -1.26 -4.72 113.62 114.47 2k2p n SER 68 Ca -0.20 -1.29 -0.43 0.00 -1.33 0.00 0.00 58.87 55.63 2k2p n SER 68 Cb 0.54 -0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 2k2p n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k2p n ASP 69 N 0.37 5.31 0.01 -3.46 9.92 -1.26 -4.84 116.55 122.60 2k2p n ASP 69 Ca 0.04 -3.15 -0.11 0.00 -0.53 0.00 0.00 54.79 51.04 2k2p n ASP 69 Cb 0.17 -1.45 -0.05 0.00 -0.64 0.00 0.00 41.12 39.14 2k2p n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k2p h ALA 70 N 5.81 0.06 -0.73 2.24 0.00 -2.00 -1.08 119.26 123.56 2k2p h ALA 70 Ca 0.36 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k2p h ALA 70 Cb 0.65 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2k2p h ALA 70 CO 1.55 -0.47 0.32 0.00 0.00 0.00 0.00 179.25 180.65 2k2p h ALA 71 N 1.06 1.18 -0.20 0.00 0.00 -1.99 -1.42 119.26 117.89 2k2p h ALA 71 Ca 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2k2p h ALA 71 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2k2p h ALA 71 CO -0.06 0.60 -0.01 1.25 0.00 0.00 0.00 179.25 181.04 2k2p h HIS 72 N 1.05 0.39 -0.89 0.00 6.17 -1.89 -2.53 115.15 117.45 2k2p h HIS 72 Ca 0.25 -0.07 -0.00 0.00 0.71 0.00 0.00 60.37 61.26 2k2p h HIS 72 Cb 0.16 -0.10 -0.04 0.00 2.52 0.00 0.00 27.41 29.94 2k2p h HIS 72 CO 0.01 0.56 0.55 0.82 0.71 0.00 0.00 177.93 180.59 2k2p h ILE 73 N 0.11 1.24 -0.90 6.26 1.08 -1.06 -2.31 117.51 121.93 2k2p h ILE 73 Ca 0.06 -0.50 0.05 0.00 -0.39 0.00 0.00 64.86 64.08 2k2p h ILE 73 Cb 0.41 -0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.07 2k2p h ILE 73 CO 0.01 0.25 0.59 0.00 -0.69 0.00 0.00 178.15 178.31 2k2p h ALA 74 N 1.39 1.47 -0.43 1.87 0.00 -1.07 -0.81 119.26 121.68 2k2p h ALA 74 Ca 0.32 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 2k2p h ALA 74 Cb -0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2k2p h ALA 74 CO -0.06 0.42 -0.22 0.93 0.00 0.00 0.00 179.25 180.31 2k2p h GLU 75 N 1.08 0.86 0.00 0.00 4.39 -0.99 -2.58 114.58 117.34 2k2p h GLU 75 Ca 0.37 -0.36 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2k2p h GLU 75 Cb 0.11 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2k2p h GLU 75 CO -0.13 1.00 -0.00 0.82 -1.16 0.00 0.00 179.01 179.54 2k2p h ILE 76 N 0.75 1.33 -0.22 3.13 2.04 -0.95 -2.41 117.51 121.19 2k2p h ILE 76 Ca 0.10 -0.99 -0.13 0.00 1.00 0.00 0.00 64.86 64.84 2k2p h ILE 76 Cb 0.76 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2k2p h ILE 76 CO 0.06 0.26 -0.40 -0.29 0.00 0.00 0.00 178.15 177.78 2k2p h ILE 77 N -0.43 1.30 0.00 -0.67 2.10 -1.26 -2.56 117.51 115.99 2k2p h ILE 77 Ca -0.00 -1.56 -0.10 0.00 1.08 0.00 0.00 64.86 64.28 2k2p h ILE 77 Cb 0.42 1.57 -0.01 0.00 -1.09 0.00 0.00 36.82 37.71 2k2p h ILE 77 CO 0.00 0.49 -0.47 0.00 -1.08 0.00 0.00 178.15 177.09 2k2p h THR 78 N 0.42 1.27 0.00 2.19 1.03 -1.34 -2.58 112.91 113.91 2k2p h THR 78 Ca 0.04 -1.65 0.00 0.00 -0.01 0.00 0.00 66.41 64.79 2k2p h THR 78 Cb 0.89 1.91 0.00 0.00 -1.07 0.00 0.00 68.15 69.87 2k2p h THR 78 CO 0.08 0.46 0.00 0.00 -0.01 0.00 0.00 175.52 176.05 2k2p h ALA 79 N 1.53 1.00 -0.12 0.00 0.00 -1.00 -0.49 119.26 120.18 2k2p h ALA 79 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2p h ALA 79 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k2p h ALA 79 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2k2p n ALA 80 N -1.94 2.54 -0.58 0.00 0.00 -0.98 -4.91 120.51 114.64 2k2p n ALA 80 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2k2p n ALA 80 Cb 0.19 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2k2p n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2p n GLY 81 N 0.98 0.77 3.06 0.00 0.00 -0.19 -4.94 105.19 104.86 2k2p n GLY 81 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2k2p n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k2p s TYR 82 N -2.87 3.49 -0.11 1.61 2.02 -1.21 -5.02 117.35 115.26 2k2p s TYR 82 Ca 0.00 -2.57 -0.23 0.00 -0.37 0.00 0.00 57.07 53.90 2k2p s TYR 82 Cb 0.00 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.12 2k2p s TYR 82 CO 0.00 -0.91 0.70 -0.08 -1.57 0.00 0.00 175.55 173.70 2k2p s THR 83 N 1.04 5.02 0.20 -0.71 -1.32 -1.26 -2.95 115.64 115.65 2k2p s THR 83 Ca 0.00 1.41 -0.04 0.00 -1.21 0.00 0.00 61.69 61.85 2k2p s THR 83 Cb -0.20 -4.03 -0.02 0.00 -1.51 0.00 0.00 72.50 66.74 2k2p s THR 83 CO -0.06 0.19 1.54 1.55 -2.21 0.00 0.00 174.62 175.63 2k2p h PRO 84 N 6.99 0.66 0.00 7.08 0.13 -1.89 -3.41 132.00 141.55 2k2p h PRO 84 Ca -0.37 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2k2p h PRO 84 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k2p h PRO 84 CO 0.77 0.96 0.00 0.39 -0.23 0.00 0.00 178.00 179.89