#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 0.76 3.55 0.00 0.00 -1.26 -4.52 105.19 103.71 2k2p n GLY 23 Ca 0.00 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 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 3.76 -0.41 0.99 1.43 -0.47 -4.89 118.68 119.09 2k2p s LEU 24 Ca 0.00 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2k2p s LEU 24 Cb 0.00 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.25 2k2p s LEU 24 CO 0.00 -1.36 0.54 -0.44 0.23 0.00 0.00 176.35 175.32 2k2p s SER 25 N 2.92 6.28 -0.50 2.29 0.01 -1.26 -1.50 113.70 121.94 2k2p s SER 25 Ca 0.37 -0.35 -0.13 0.00 1.31 0.00 0.00 55.95 57.14 2k2p s SER 25 Cb -0.10 -2.28 0.12 0.00 0.21 0.00 0.00 66.02 63.97 2k2p s SER 25 CO 0.22 -0.64 0.41 -0.36 0.41 0.00 0.00 173.24 173.28 2k2p s PHE 26 N 2.49 3.33 -0.95 2.43 0.08 -0.47 -4.98 117.98 119.91 2k2p s PHE 26 Ca 0.18 -1.50 -0.23 0.00 0.12 0.00 0.00 56.93 55.50 2k2p s PHE 26 Cb -0.15 -3.55 0.07 0.00 -0.57 0.00 0.00 43.02 38.82 2k2p s PHE 26 CO 0.16 -0.97 1.33 -1.58 -0.10 0.00 0.00 175.22 174.06 2k2p s HIS 27 N 1.50 2.63 -0.85 0.36 5.65 -1.26 -0.92 115.29 122.39 2k2p s HIS 27 Ca 0.04 -0.85 -0.25 0.00 0.25 0.00 0.00 55.06 54.25 2k2p s HIS 27 Cb -0.27 -4.58 -0.00 0.00 -1.18 0.00 0.00 32.58 26.54 2k2p s HIS 27 CO 0.02 -1.84 1.68 0.08 -0.65 0.00 0.00 174.74 174.02 2k2p s VAL 28 N 4.53 3.61 0.46 0.89 1.01 -0.27 -4.69 120.40 125.94 2k2p s VAL 28 Ca 0.41 -0.24 0.39 0.00 0.00 0.00 0.00 61.98 62.53 2k2p s VAL 28 Cb -0.03 -4.44 0.41 0.00 0.00 0.00 0.00 36.38 32.32 2k2p s VAL 28 CO -0.06 -1.37 2.22 1.05 0.00 0.00 0.00 175.10 176.93 2k2p h GLU 29 N 11.39 0.00 -0.32 2.72 4.11 -1.74 -1.59 114.58 129.15 2k2p h GLU 29 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 2k2p h GLU 29 Cb 1.05 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.25 2k2p h GLU 29 CO 1.29 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.98 2k2p n ASP 30 N -3.18 3.39 -4.72 3.06 5.75 -1.26 -5.07 116.55 114.51 2k2p n ASP 30 Ca -0.02 -3.30 -0.41 0.00 -0.01 0.00 0.00 54.79 51.06 2k2p n ASP 30 Cb 0.16 -0.59 0.01 0.00 -1.03 0.00 0.00 41.12 39.68 2k2p n ASP 30 CO 0.00 0.00 0.00 0.80 -0.11 0.00 0.00 177.20 177.89 2k2p n MET 31 N -0.76 2.12 -2.85 0.11 1.56 -0.60 -5.01 117.12 111.69 2k2p n MET 31 Ca 0.27 0.75 -0.37 0.00 -0.27 0.00 0.00 57.70 58.08 2k2p n MET 31 Cb 0.97 -2.47 -0.06 0.00 2.15 0.00 0.00 33.22 33.81 2k2p n MET 31 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k2p s THR 32 N -1.18 4.29 0.06 1.12 -4.23 -1.26 -5.03 115.64 109.42 2k2p s THR 32 Ca 0.59 1.70 -0.01 0.00 -1.18 0.00 0.00 61.69 62.80 2k2p s THR 32 Cb -0.50 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.38 2k2p s THR 32 CO 0.59 0.16 0.06 0.00 -0.54 0.00 0.00 174.62 174.89 2k2p h GLY 34 N -0.45 0.00 1.39 0.00 0.00 -1.96 0.74 103.07 102.78 2k2p h GLY 34 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.35 2k2p h GLY 34 CO 0.01 0.00 0.31 0.45 0.00 0.00 0.00 176.54 177.32 2k2p h HIS 35 N 0.00 0.46 0.00 5.60 3.86 -2.04 -3.26 115.15 119.77 2k2p h HIS 35 Ca 0.25 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2k2p h HIS 35 Cb 1.54 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.86 2k2p h HIS 35 CO 0.00 0.26 -0.27 0.00 0.86 0.00 0.00 177.93 178.79 2k2p h ALA 37 N 0.00 0.58 -0.50 0.00 0.00 -0.96 -3.32 119.26 115.07 2k2p h ALA 37 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 2k2p h ALA 37 Cb 1.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k2p h ALA 37 CO 0.00 0.81 -0.04 0.78 0.00 0.00 0.00 179.25 180.80 2k2p h GLY 38 N 1.49 0.94 2.00 0.00 0.00 -1.85 -2.39 103.07 103.25 2k2p h GLY 38 Ca -0.04 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 2k2p h GLY 38 CO 0.13 0.62 -0.40 -0.24 0.00 0.00 0.00 176.54 176.65 2k2p h VAL 39 N 0.80 1.13 -0.41 4.60 3.04 -1.92 -1.52 116.25 121.97 2k2p h VAL 39 Ca 0.14 -1.45 -0.11 0.00 -1.01 0.00 0.00 66.70 64.28 2k2p h VAL 39 Cb 0.53 1.81 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 2k2p h VAL 39 CO 0.03 0.39 -0.15 0.40 -1.01 0.00 0.00 177.57 177.23 2k2p h ILE 40 N 0.00 1.28 0.19 3.17 2.04 -1.55 -0.73 117.51 121.91 2k2p h ILE 40 Ca -0.00 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.57 2k2p h ILE 40 Cb 0.78 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2k2p h ILE 40 CO 0.05 0.43 -0.09 0.11 0.00 0.00 0.00 178.15 178.65 2k2p h LYS 41 N 0.65 -0.24 -0.07 2.37 1.57 -1.21 -3.13 116.57 116.51 2k2p h LYS 41 Ca 0.10 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2k2p h LYS 41 Cb 0.70 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2k2p h LYS 41 CO 0.05 -0.07 -0.25 0.78 -0.57 0.00 0.00 179.45 179.39 2k2p h GLY 42 N -0.36 0.13 0.54 3.86 0.00 -1.30 -1.81 103.07 104.13 2k2p h GLY 42 Ca -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 47.25 2k2p h GLY 42 CO 0.04 0.09 -0.10 0.00 0.00 0.00 0.00 176.54 176.57 2k2p h ALA 43 N 1.63 0.03 0.04 3.60 0.00 -1.07 -1.94 119.26 121.55 2k2p h ALA 43 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k2p h ALA 43 Cb 0.52 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k2p h ALA 43 CO 0.04 -0.54 -0.02 0.82 0.00 0.00 0.00 179.25 179.55 2k2p h ILE 44 N -0.10 1.35 0.19 0.00 2.04 -1.54 -3.34 117.51 116.12 2k2p h ILE 44 Ca 0.09 -1.55 0.01 0.00 1.00 0.00 0.00 64.86 64.41 2k2p h ILE 44 Cb 0.24 2.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 2k2p h ILE 44 CO -0.22 0.38 -0.26 -0.08 0.00 0.00 0.00 178.15 177.96 2k2p h GLU 45 N -0.77 -0.50 0.00 2.37 4.81 -1.27 -1.18 114.58 118.05 2k2p h GLU 45 Ca -0.01 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2k2p h GLU 45 Cb 0.66 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2k2p h GLU 45 CO 0.01 -0.33 0.00 1.63 -0.73 0.00 0.00 179.01 179.59 2k2p n LYS 46 N -5.38 0.16 -0.00 1.92 4.01 -0.74 -2.43 118.16 115.70 2k2p n LYS 46 Ca -0.08 0.39 -0.18 0.00 -0.51 0.00 0.00 58.31 57.93 2k2p n LYS 46 Cb 0.29 -1.80 -0.14 0.00 -0.51 0.00 0.00 35.03 32.87 2k2p n LYS 46 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2k2p n THR 47 N -2.09 1.74 -3.63 -0.18 -1.04 -0.84 -4.78 114.28 103.45 2k2p n THR 47 Ca 0.02 -0.69 -0.29 0.00 -2.04 0.00 0.00 64.05 61.05 2k2p n THR 47 Cb 0.21 -1.57 -0.13 0.00 -1.82 0.00 0.00 70.33 67.02 2k2p n THR 47 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2k2p s VAL 48 N -2.57 0.88 0.28 12.58 -7.23 -0.50 -5.13 120.40 118.71 2k2p s VAL 48 Ca -0.19 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 57.65 2k2p s VAL 48 Cb 0.07 -1.63 -0.12 0.00 0.56 0.00 0.00 36.38 35.26 2k2p s VAL 48 CO 0.78 -0.88 1.53 -2.65 -0.31 0.00 0.00 175.10 173.57 2k2p n PRO 49 N 3.99 2.48 0.00 4.82 -0.02 -1.15 -2.91 135.00 142.21 2k2p n PRO 49 Ca 0.07 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 2k2p n PRO 49 Cb 0.37 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 2.14 1.67 3.58 -1.23 0.00 -1.26 -5.05 105.19 105.05 2k2p n GLY 50 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.96 2.83 -0.73 4.61 0.00 -1.15 -4.57 121.76 120.79 2k2p s ALA 51 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 2k2p s ALA 51 Cb 0.00 -4.06 0.02 0.00 0.00 0.00 0.00 23.12 19.08 2k2p s ALA 51 CO 0.00 -2.82 1.40 0.00 0.00 0.00 0.00 175.76 174.34 2k2p s ALA 52 N 6.29 2.63 -0.06 0.00 0.00 -0.62 -4.73 121.76 125.27 2k2p s ALA 52 Ca 0.61 -1.29 -0.25 0.00 0.00 0.00 0.00 51.96 51.02 2k2p s ALA 52 Cb -0.13 -4.29 -0.03 0.00 0.00 0.00 0.00 23.12 18.67 2k2p s ALA 52 CO 0.28 -3.44 0.79 0.14 0.00 0.00 0.00 175.76 173.54 2k2p s VAL 53 N 6.35 4.98 -0.34 0.00 -7.23 -1.26 -1.71 120.40 121.18 2k2p s VAL 53 Ca 0.42 1.64 -0.00 0.00 -1.81 0.00 0.00 61.98 62.22 2k2p s VAL 53 Cb -0.08 -4.13 0.11 0.00 0.56 0.00 0.00 36.38 32.84 2k2p s VAL 53 CO 0.14 0.21 0.15 -2.28 -0.31 0.00 0.00 175.10 173.01 2k2p s HIS 54 N 0.98 1.44 -0.37 2.82 2.46 0.08 -4.96 115.29 117.74 2k2p s HIS 54 Ca 0.42 -1.77 -0.20 0.00 0.47 0.00 0.00 55.06 53.98 2k2p s HIS 54 Cb -0.19 -1.53 0.00 0.00 -0.13 0.00 0.00 32.58 30.74 2k2p s HIS 54 CO 0.20 -0.84 0.59 0.00 -2.47 0.00 0.00 174.74 172.22 2k2p s ALA 55 N 1.29 3.44 -0.42 1.58 0.00 -1.26 -0.86 121.76 125.53 2k2p s ALA 55 Ca 0.13 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.01 2k2p s ALA 55 Cb -0.20 -3.14 0.07 0.00 0.00 0.00 0.00 23.12 19.86 2k2p s ALA 55 CO -0.16 -1.38 0.27 0.34 0.00 0.00 0.00 175.76 174.83 2k2p s ASP 56 N 1.81 5.73 0.34 0.00 -1.08 -0.57 -4.97 116.67 117.93 2k2p s ASP 56 Ca 0.22 -1.42 0.08 0.00 -0.52 0.00 0.00 52.55 50.91 2k2p s ASP 56 Cb -0.15 -2.02 0.77 0.00 -1.46 0.00 0.00 42.92 40.06 2k2p s ASP 56 CO 0.15 -0.54 1.84 -0.65 0.52 0.00 0.00 175.17 176.49 2k2p h PRO 57 N 8.47 0.72 -0.12 4.34 0.11 -1.89 0.23 132.00 143.85 2k2p h PRO 57 Ca -0.24 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.73 2k2p h PRO 57 Cb 1.09 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2k2p h PRO 57 CO 0.77 0.48 -0.29 0.00 -0.21 0.00 0.00 178.00 178.74 2k2p h ALA 58 N 1.60 0.20 0.00 -0.75 0.00 -1.96 -3.24 119.26 115.10 2k2p h ALA 58 Ca 0.49 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k2p h ALA 58 Cb 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k2p h ALA 58 CO -0.25 0.22 -0.37 0.77 0.00 0.00 0.00 179.25 179.62 2k2p h SER 59 N 0.00 0.00 -4.19 0.00 0.02 -1.95 -3.48 113.55 103.95 2k2p h SER 59 Ca -0.00 -0.04 -0.32 0.00 -0.84 0.00 0.00 61.79 60.59 2k2p h SER 59 Cb 0.89 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.51 2k2p h SER 59 CO 0.06 0.02 -0.51 0.54 -1.14 0.00 0.00 176.83 175.81 2k2p n ARG 60 N -2.63 -5.04 -3.78 3.45 5.12 0.78 -4.95 116.66 109.62 2k2p n ARG 60 Ca 0.03 0.69 -0.20 0.00 -1.93 0.00 0.00 57.85 56.44 2k2p n ARG 60 Cb 0.50 -5.18 -0.17 0.00 -1.16 0.00 0.00 32.46 26.45 2k2p n ARG 60 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2k2p s THR 61 N -3.14 0.13 -0.46 0.55 2.01 -1.12 -1.11 115.64 112.50 2k2p s THR 61 Ca 0.35 0.23 -0.16 0.00 0.31 0.00 0.00 61.69 62.42 2k2p s THR 61 Cb -0.15 -0.31 0.06 0.00 0.01 0.00 0.00 72.50 72.11 2k2p s THR 61 CO 0.43 0.20 0.40 -0.69 -0.69 0.00 0.00 174.62 174.26 2k2p s VAL 62 N 1.77 5.21 -0.23 3.82 1.01 -0.10 -1.52 120.40 130.36 2k2p s VAL 62 Ca 0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 2k2p s VAL 62 Cb -0.13 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 2k2p s VAL 62 CO -0.03 -0.54 0.07 -0.69 0.00 0.00 0.00 175.10 173.91 2k2p s VAL 63 N 1.74 4.53 -0.22 2.92 1.01 -0.04 -1.37 120.40 128.97 2k2p s VAL 63 Ca 0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2k2p s VAL 63 Cb -0.23 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2k2p s VAL 63 CO 0.08 0.37 0.01 0.68 0.00 0.00 0.00 175.10 176.24 2k2p s VAL 64 N 1.20 3.93 0.13 2.92 -7.23 -0.56 -0.74 120.40 120.04 2k2p s VAL 64 Ca 0.05 -0.31 0.03 0.00 -1.81 0.00 0.00 61.98 59.93 2k2p s VAL 64 Cb -0.14 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 2k2p s VAL 64 CO 0.04 0.40 0.20 -0.83 -0.31 0.00 0.00 175.10 174.60 2k2p s GLY 65 N 1.26 1.84 0.00 2.32 0.00 -0.70 -1.37 107.32 110.68 2k2p s GLY 65 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2k2p s GLY 65 CO 0.01 -1.04 0.00 0.61 0.00 0.00 0.00 173.10 172.68 2k2p n GLY 66 N -0.19 3.08 3.60 0.20 0.00 -1.26 -1.59 105.19 109.04 2k2p n GLY 66 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.10 3.55 -0.12 1.61 -7.23 -1.26 -5.00 120.40 109.85 2k2p s VAL 67 Ca 0.00 -1.13 0.17 0.00 -1.81 0.00 0.00 61.98 59.21 2k2p s VAL 67 Cb 0.00 -2.65 0.28 0.00 0.56 0.00 0.00 36.38 34.57 2k2p s VAL 67 CO 0.00 0.16 1.14 -1.20 -0.31 0.00 0.00 175.10 174.89 2k2p n SER 68 N 0.80 2.11 -4.11 4.85 7.64 -1.26 -4.49 113.62 119.16 2k2p n SER 68 Ca -0.13 -3.06 -0.43 0.00 1.01 0.00 0.00 58.87 56.26 2k2p n SER 68 Cb 0.52 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 63.31 2k2p n SER 68 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k2p n ASP 69 N -1.29 5.81 0.16 6.43 9.92 -1.26 -4.89 116.55 131.44 2k2p n ASP 69 Ca 0.15 -3.22 -0.14 0.00 -0.53 0.00 0.00 54.79 51.06 2k2p n ASP 69 Cb 0.65 -1.37 -0.07 0.00 -0.64 0.00 0.00 41.12 39.69 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 5.97 -0.40 -0.78 2.24 0.00 -2.00 -1.74 119.26 122.54 2k2p h ALA 70 Ca 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2k2p h ALA 70 Cb 0.71 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2k2p h ALA 70 CO 1.31 -0.75 0.34 0.00 0.00 0.00 0.00 179.25 180.15 2k2p h ALA 71 N 0.31 1.01 0.03 0.00 0.00 -1.99 -1.56 119.26 117.07 2k2p h ALA 71 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k2p h ALA 71 Cb 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k2p h ALA 71 CO -0.01 0.62 -0.02 1.25 0.00 0.00 0.00 179.25 181.09 2k2p h HIS 72 N 1.12 -0.04 -0.69 0.00 6.17 -1.92 -0.80 115.15 119.00 2k2p h HIS 72 Ca 0.26 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.27 2k2p h HIS 72 Cb 0.18 0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.09 2k2p h HIS 72 CO 0.02 0.05 0.13 0.82 0.71 0.00 0.00 177.93 179.66 2k2p h ILE 73 N -0.13 1.26 -0.71 6.26 1.08 -1.28 -2.71 117.51 121.29 2k2p h ILE 73 Ca -0.00 -1.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 2k2p h ILE 73 Cb 0.11 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 2k2p h ILE 73 CO 0.01 0.39 0.46 0.00 -0.69 0.00 0.00 178.15 178.32 2k2p h ALA 74 N 1.07 1.48 -0.61 1.87 0.00 -1.00 -2.01 119.26 120.06 2k2p h ALA 74 Ca 0.21 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2k2p h ALA 74 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2k2p h ALA 74 CO 0.01 0.48 -0.01 0.93 0.00 0.00 0.00 179.25 180.66 2k2p h GLU 75 N 0.97 1.08 0.24 0.00 4.39 -0.89 -2.39 114.58 117.98 2k2p h GLU 75 Ca 0.26 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2k2p h GLU 75 Cb -0.10 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 2k2p h GLU 75 CO -0.05 1.06 -0.11 0.82 -1.16 0.00 0.00 179.01 179.56 2k2p h ILE 76 N 0.98 0.82 -0.46 3.13 2.04 -1.08 -1.56 117.51 121.39 2k2p h ILE 76 Ca 0.17 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 2k2p h ILE 76 Cb 0.58 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 2k2p h ILE 76 CO 0.03 0.09 -0.12 -0.29 0.00 0.00 0.00 178.15 177.86 2k2p h ILE 77 N -0.53 1.26 0.00 -0.67 2.10 -1.46 -1.88 117.51 116.35 2k2p h ILE 77 Ca -0.03 -1.22 -0.14 0.00 1.08 0.00 0.00 64.86 64.55 2k2p h ILE 77 Cb 0.39 1.04 -0.02 0.00 -1.09 0.00 0.00 36.82 37.14 2k2p h ILE 77 CO 0.05 0.42 -0.67 0.00 -1.08 0.00 0.00 178.15 176.87 2k2p h THR 78 N 0.75 1.44 0.00 2.19 1.03 -1.28 -2.54 112.91 114.51 2k2p h THR 78 Ca 0.12 -2.31 -0.03 0.00 -0.01 0.00 0.00 66.41 64.18 2k2p h THR 78 Cb 0.63 2.26 -0.00 0.00 -1.07 0.00 0.00 68.15 69.96 2k2p h THR 78 CO 0.04 0.65 -0.13 0.00 -0.01 0.00 0.00 175.52 176.08 2k2p h ALA 79 N 1.33 1.01 0.00 0.00 0.00 -0.95 -1.94 119.26 118.71 2k2p h ALA 79 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k2p h ALA 79 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k2p h ALA 79 CO 0.09 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.50 2k2p n ALA 80 N -2.17 2.31 -0.31 0.00 0.00 -0.73 -4.90 120.51 114.71 2k2p n ALA 80 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k2p n ALA 80 Cb 0.39 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.97 0.81 3.08 0.00 0.00 -0.73 -5.05 105.19 104.28 2k2p n GLY 81 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.11 3.55 -0.27 1.61 2.02 -0.99 -5.02 117.35 116.14 2k2p s TYR 82 Ca 0.00 -2.53 -0.26 0.00 -0.37 0.00 0.00 57.07 53.91 2k2p s TYR 82 Cb 0.00 -2.73 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 2k2p s TYR 82 CO 0.00 -0.92 0.90 -0.08 -1.57 0.00 0.00 175.55 173.88 2k2p s THR 83 N 1.06 4.73 0.09 -0.71 -1.32 -1.26 -2.88 115.64 115.36 2k2p s THR 83 Ca 0.04 1.58 -0.15 0.00 -1.21 0.00 0.00 61.69 61.95 2k2p s THR 83 Cb -0.20 -4.22 -0.11 0.00 -1.51 0.00 0.00 72.50 66.46 2k2p s THR 83 CO -0.05 -0.22 1.38 1.55 -2.21 0.00 0.00 174.62 175.06 2k2p h PRO 84 N 7.84 0.67 0.00 7.08 0.13 -1.89 -3.44 132.00 142.39 2k2p h PRO 84 Ca -0.22 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2k2p h PRO 84 Cb 1.08 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2k2p h PRO 84 CO 0.93 1.02 0.00 -1.91 -0.23 0.00 0.00 178.00 177.80