#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 2.38 3.46 0.00 0.00 -1.26 -4.85 105.19 104.92 2k2p n GLY 23 Ca 0.00 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 4.98 -0.25 0.99 1.43 -0.46 -4.89 118.68 120.48 2k2p s LEU 24 Ca 0.00 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.07 2k2p s LEU 24 Cb 0.00 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2k2p s LEU 24 CO 0.00 -0.64 0.75 -0.55 0.23 0.00 0.00 176.35 176.14 2k2p s SER 25 N 2.06 6.72 -0.24 2.29 0.15 -1.26 -1.31 113.70 122.11 2k2p s SER 25 Ca 0.11 0.87 -0.03 0.00 0.70 0.00 0.00 55.95 57.60 2k2p s SER 25 Cb -0.18 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2k2p s SER 25 CO 0.12 -0.47 -0.04 -0.36 1.20 0.00 0.00 173.24 173.69 2k2p s PHE 26 N 2.73 3.00 -1.03 3.44 0.08 -0.70 -4.99 117.98 120.52 2k2p s PHE 26 Ca 0.31 -1.15 -0.20 0.00 0.12 0.00 0.00 56.93 56.01 2k2p s PHE 26 Cb -0.15 -2.10 0.09 0.00 -0.57 0.00 0.00 43.02 40.28 2k2p s PHE 26 CO 0.08 -0.62 1.37 -3.38 -0.10 0.00 0.00 175.22 172.58 2k2p s HIS 27 N 1.43 2.81 -0.62 0.36 -3.43 -1.26 -1.42 115.29 113.16 2k2p s HIS 27 Ca 0.04 -1.19 -0.27 0.00 -0.80 0.00 0.00 55.06 52.83 2k2p s HIS 27 Cb -0.15 -4.54 0.03 0.00 -1.43 0.00 0.00 32.58 26.49 2k2p s HIS 27 CO -0.03 -1.74 1.19 0.08 -2.00 0.00 0.00 174.74 172.23 2k2p s VAL 28 N 3.92 3.98 -0.40 -5.38 1.01 -0.11 -4.61 120.40 118.82 2k2p s VAL 28 Ca 0.42 0.69 0.26 0.00 0.00 0.00 0.00 61.98 63.36 2k2p s VAL 28 Cb -0.01 -4.76 0.30 0.00 0.00 0.00 0.00 36.38 31.91 2k2p s VAL 28 CO -0.07 -1.46 1.78 -0.33 0.00 0.00 0.00 175.10 175.02 2k2p h GLU 29 N 9.65 0.00 -0.43 2.72 5.08 -1.61 -2.74 114.58 127.25 2k2p h GLU 29 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2k2p h GLU 29 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2k2p h GLU 29 CO 1.20 0.00 0.00 -3.47 -1.00 0.00 0.00 179.01 175.74 2k2p n ASP 30 N -2.53 4.16 -4.74 1.42 2.03 -1.20 -5.02 116.55 110.66 2k2p n ASP 30 Ca 0.03 -2.63 -0.41 0.00 0.52 0.00 0.00 54.79 52.30 2k2p n ASP 30 Cb 0.32 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.19 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2k2p s MET 31 N -2.15 4.46 0.53 -0.67 1.75 -1.04 -4.76 119.30 117.43 2k2p s MET 31 Ca 0.42 1.96 -0.05 0.00 -1.25 0.00 0.00 55.69 56.77 2k2p s MET 31 Cb 0.30 -3.20 -0.02 0.00 2.84 0.00 0.00 34.83 34.75 2k2p s MET 31 CO 0.16 -0.11 0.83 0.95 -0.65 0.00 0.00 175.02 176.20 2k2p s THR 32 N -0.29 4.38 0.00 10.11 -4.23 -1.26 -5.03 115.64 119.32 2k2p s THR 32 Ca 0.52 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 2k2p s THR 32 Cb -0.35 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.81 2k2p s THR 32 CO 0.40 -0.69 0.00 0.00 -0.54 0.00 0.00 174.62 173.79 2k2p h GLY 34 N -0.19 0.00 2.00 0.00 0.00 -1.97 -1.48 103.07 101.43 2k2p h GLY 34 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2k2p h GLY 34 CO 0.00 0.00 -0.14 0.45 0.00 0.00 0.00 176.54 176.85 2k2p h HIS 35 N 0.00 0.00 0.00 5.60 3.86 -2.04 -2.84 115.15 119.73 2k2p h HIS 35 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2k2p h HIS 35 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2k2p h HIS 35 CO 0.00 0.14 -0.03 0.00 0.86 0.00 0.00 177.93 178.90 2k2p h ALA 37 N 0.00 0.71 0.00 0.00 0.00 -1.03 -2.95 119.26 115.99 2k2p h ALA 37 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k2p h ALA 37 Cb 0.73 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2k2p h ALA 37 CO 0.00 0.51 -0.07 0.78 0.00 0.00 0.00 179.25 180.47 2k2p h GLY 38 N 0.79 0.00 0.21 0.00 0.00 -1.87 -1.02 103.07 101.19 2k2p h GLY 38 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2k2p h GLY 38 CO 0.02 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.48 2k2p h VAL 39 N 0.00 1.62 -0.15 4.60 2.07 -1.88 -0.92 116.25 121.58 2k2p h VAL 39 Ca -0.00 -1.84 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 2k2p h VAL 39 Cb 0.17 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 2k2p h VAL 39 CO 0.01 0.48 -0.34 -0.29 0.02 0.00 0.00 177.57 177.45 2k2p h ILE 40 N -0.79 1.28 0.26 4.57 2.10 -1.37 -0.42 117.51 123.14 2k2p h ILE 40 Ca -0.00 -1.37 -0.01 0.00 1.08 0.00 0.00 64.86 64.56 2k2p h ILE 40 Cb 0.78 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.06 2k2p h ILE 40 CO 0.00 0.42 -0.12 0.11 -1.08 0.00 0.00 178.15 177.47 2k2p h LYS 41 N 0.26 -0.33 -0.09 2.19 1.57 -1.32 -3.32 116.57 115.53 2k2p h LYS 41 Ca 0.03 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2k2p h LYS 41 Cb 0.73 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2k2p h LYS 41 CO 0.06 -0.08 0.07 0.78 -0.57 0.00 0.00 179.45 179.71 2k2p h GLY 42 N -0.55 0.00 0.59 3.86 0.00 -0.52 -0.80 103.07 105.65 2k2p h GLY 42 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.31 2k2p h GLY 42 CO 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 176.54 176.36 2k2p h ALA 43 N 1.95 -0.42 -0.04 3.60 0.00 -1.20 -1.91 119.26 121.25 2k2p h ALA 43 Ca 0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.71 2k2p h ALA 43 Cb 0.18 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k2p h ALA 43 CO -0.00 -0.78 -0.79 0.82 0.00 0.00 0.00 179.25 178.50 2k2p h ILE 44 N -0.45 1.34 -0.20 0.00 2.04 -1.61 -3.23 117.51 115.40 2k2p h ILE 44 Ca 0.03 -2.09 0.05 0.00 1.00 0.00 0.00 64.86 63.84 2k2p h ILE 44 Cb 0.47 2.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.87 2k2p h ILE 44 CO -0.13 0.64 -0.12 -0.08 0.00 0.00 0.00 178.15 178.45 2k2p h GLU 45 N 0.21 -0.11 0.00 2.37 4.57 -1.09 -0.84 114.58 119.69 2k2p h GLU 45 Ca -0.09 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 2k2p h GLU 45 Cb 1.46 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.05 2k2p h GLU 45 CO 0.16 -0.07 -0.57 0.87 -1.18 0.00 0.00 179.01 178.21 2k2p h LYS 46 N -0.11 0.00 0.01 1.92 6.56 -1.49 -3.33 116.57 120.12 2k2p h LYS 46 Ca 0.12 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.65 2k2p h LYS 46 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.95 2k2p h LYS 46 CO -0.27 0.57 -0.21 1.15 -2.06 0.00 0.00 179.45 178.63 2k2p h THR 47 N 0.00 1.60 -3.72 -0.16 2.02 -1.51 -3.43 112.91 107.71 2k2p h THR 47 Ca -0.01 -2.04 -0.69 0.00 0.77 0.00 0.00 66.41 64.45 2k2p h THR 47 Cb 1.42 2.92 -0.31 0.00 -1.74 0.00 0.00 68.15 70.45 2k2p h THR 47 CO 0.07 0.55 -0.66 -0.69 0.37 0.00 0.00 175.52 175.17 2k2p s VAL 48 N -2.92 3.37 -0.37 3.16 1.01 -0.35 -5.08 120.40 119.22 2k2p s VAL 48 Ca -0.16 -1.24 -0.29 0.00 0.00 0.00 0.00 61.98 60.29 2k2p s VAL 48 Cb -0.00 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 2k2p s VAL 48 CO 0.73 -0.13 1.55 -2.16 0.00 0.00 0.00 175.10 175.09 2k2p s PRO 49 N 1.33 3.51 0.00 2.72 0.04 -1.26 -3.19 135.00 138.15 2k2p s PRO 49 Ca -0.03 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2k2p s PRO 49 Cb -0.19 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2k2p s PRO 49 CO 0.01 -1.64 0.00 0.41 0.04 0.00 0.00 177.00 175.82 2k2p n GLY 50 N 5.16 1.02 3.58 0.56 0.00 -1.26 -5.08 105.19 109.17 2k2p n GLY 50 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 2.99 -0.74 4.61 0.00 -1.19 -4.32 121.76 121.11 2k2p s ALA 51 Ca 0.00 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 2k2p s ALA 51 Cb 0.00 -4.03 0.03 0.00 0.00 0.00 0.00 23.12 19.12 2k2p s ALA 51 CO 0.00 -2.67 1.26 0.00 0.00 0.00 0.00 175.76 174.35 2k2p s ALA 52 N 4.95 2.78 -0.06 0.00 0.00 -0.33 -4.71 121.76 124.39 2k2p s ALA 52 Ca 0.42 -1.44 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 2k2p s ALA 52 Cb -0.08 -4.23 -0.03 0.00 0.00 0.00 0.00 23.12 18.78 2k2p s ALA 52 CO 0.25 -3.26 0.78 0.14 0.00 0.00 0.00 175.76 173.68 2k2p s VAL 53 N 5.56 4.99 -0.36 0.00 -7.23 -1.26 -1.45 120.40 120.66 2k2p s VAL 53 Ca 0.34 1.61 0.02 0.00 -1.81 0.00 0.00 61.98 62.15 2k2p s VAL 53 Cb -0.08 -4.12 0.11 0.00 0.56 0.00 0.00 36.38 32.84 2k2p s VAL 53 CO 0.14 0.21 0.11 -2.28 -0.31 0.00 0.00 175.10 172.96 2k2p s HIS 54 N 0.97 2.74 -0.30 2.82 2.46 0.32 -4.96 115.29 119.35 2k2p s HIS 54 Ca 0.41 -2.48 -0.06 0.00 0.47 0.00 0.00 55.06 53.41 2k2p s HIS 54 Cb -0.18 -2.34 0.02 0.00 -0.13 0.00 0.00 32.58 29.94 2k2p s HIS 54 CO 0.20 -0.89 0.06 0.00 -2.47 0.00 0.00 174.74 171.64 2k2p s ALA 55 N 1.00 3.00 -0.25 1.58 0.00 -1.25 -1.06 121.76 124.78 2k2p s ALA 55 Ca 0.12 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.49 2k2p s ALA 55 Cb -0.20 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 2k2p s ALA 55 CO -0.13 -0.99 0.08 0.34 0.00 0.00 0.00 175.76 175.06 2k2p s ASP 56 N 1.45 5.19 0.36 0.00 -1.08 -0.84 -4.98 116.67 116.77 2k2p s ASP 56 Ca 0.01 -0.21 0.06 0.00 -0.52 0.00 0.00 52.55 51.90 2k2p s ASP 56 Cb -0.18 -1.94 0.69 0.00 -1.46 0.00 0.00 42.92 40.04 2k2p s ASP 56 CO 0.01 -0.04 1.92 1.55 0.52 0.00 0.00 175.17 179.13 2k2p h PRO 57 N 8.25 0.45 0.05 4.34 0.13 -1.91 0.86 132.00 144.17 2k2p h PRO 57 Ca -0.38 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 2k2p h PRO 57 Cb 1.17 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2k2p h PRO 57 CO 0.58 0.47 -0.55 0.00 -0.23 0.00 0.00 178.00 178.27 2k2p h ALA 58 N 1.58 -0.01 0.00 -0.56 0.00 -1.95 -3.35 119.26 114.98 2k2p h ALA 58 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 2k2p h ALA 58 Cb 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2p h ALA 58 CO 0.01 0.27 -0.43 0.77 0.00 0.00 0.00 179.25 179.87 2k2p h SER 59 N -0.38 0.00 -3.53 0.00 0.02 -1.98 -3.48 113.55 104.21 2k2p h SER 59 Ca -0.08 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.56 2k2p h SER 59 Cb 1.35 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.94 2k2p h SER 59 CO 0.11 0.39 -0.46 0.54 -1.14 0.00 0.00 176.83 176.27 2k2p n ARG 60 N -3.19 -3.81 -4.05 3.45 5.12 0.29 -4.93 116.66 109.55 2k2p n ARG 60 Ca 0.02 0.68 -0.31 0.00 -1.93 0.00 0.00 57.85 56.31 2k2p n ARG 60 Cb 0.69 -5.08 -0.16 0.00 -1.16 0.00 0.00 32.46 26.76 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 -3.03 1.78 -0.42 0.55 2.01 -1.21 -0.94 115.64 114.38 2k2p s THR 61 Ca 0.24 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 2k2p s THR 61 Cb -0.10 -1.71 0.06 0.00 0.01 0.00 0.00 72.50 70.76 2k2p s THR 61 CO 0.29 0.38 0.29 -0.69 -0.69 0.00 0.00 174.62 174.20 2k2p s VAL 62 N 1.38 4.67 -0.17 3.82 1.01 -0.51 -1.98 120.40 128.62 2k2p s VAL 62 Ca 0.02 -1.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 2k2p s VAL 62 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2k2p s VAL 62 CO -0.10 -0.44 0.04 -0.69 0.00 0.00 0.00 175.10 173.90 2k2p s VAL 63 N 1.54 4.56 -0.28 2.92 1.01 -0.22 -1.71 120.40 128.21 2k2p s VAL 63 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2k2p s VAL 63 Cb -0.22 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2k2p s VAL 63 CO 0.05 0.47 -0.05 0.68 0.00 0.00 0.00 175.10 176.25 2k2p s VAL 64 N 0.32 2.54 0.51 2.92 -7.23 -0.43 -0.52 120.40 118.51 2k2p s VAL 64 Ca 0.01 -1.56 -0.05 0.00 -1.81 0.00 0.00 61.98 58.57 2k2p s VAL 64 Cb -0.13 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2k2p s VAL 64 CO 0.01 -0.09 0.82 -0.83 -0.31 0.00 0.00 175.10 174.69 2k2p s GLY 65 N 1.17 1.53 0.00 2.32 0.00 -0.53 -1.35 107.32 110.45 2k2p s GLY 65 Ca -0.07 -0.53 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2k2p s GLY 65 CO -0.03 -0.34 0.00 0.61 0.00 0.00 0.00 173.10 173.33 2k2p n GLY 66 N -2.34 2.61 3.22 0.20 0.00 -1.26 -1.19 105.19 106.42 2k2p n GLY 66 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.65 1.32 0.00 1.61 -7.23 -1.26 -4.91 120.40 107.29 2k2p s VAL 67 Ca 0.00 -1.45 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 2k2p s VAL 67 Cb 0.00 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.65 2k2p s VAL 67 CO 0.00 -0.21 0.27 -0.24 -0.31 0.00 0.00 175.10 174.61 2k2p n SER 68 N 1.09 0.54 -4.58 4.85 2.88 -1.26 -4.31 113.62 112.83 2k2p n SER 68 Ca -0.20 -0.82 -0.41 0.00 -1.33 0.00 0.00 58.87 56.11 2k2p n SER 68 Cb 0.54 0.22 -0.01 0.00 -0.75 0.00 0.00 64.21 64.21 2k2p n SER 68 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k2p s ASP 69 N -0.22 6.64 0.07 -3.46 1.11 -1.26 -4.84 116.67 114.71 2k2p s ASP 69 Ca 0.00 -2.19 -0.23 0.00 0.18 0.00 0.00 52.55 50.32 2k2p s ASP 69 Cb 0.00 -2.58 -0.14 0.00 1.07 0.00 0.00 42.92 41.27 2k2p s ASP 69 CO 0.00 -1.37 1.61 0.00 1.18 0.00 0.00 175.17 176.59 2k2p h ALA 70 N 8.18 0.08 -0.61 5.23 0.00 -2.00 -1.48 119.26 128.65 2k2p h ALA 70 Ca 0.38 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 2k2p h ALA 70 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2k2p h ALA 70 CO 1.44 -0.35 0.03 0.00 0.00 0.00 0.00 179.25 180.37 2k2p h ALA 71 N 0.88 0.91 -0.28 0.00 0.00 -1.99 -2.63 119.26 116.15 2k2p h ALA 71 Ca 0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2k2p h ALA 71 Cb 0.15 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k2p h ALA 71 CO -0.00 0.65 -0.35 1.25 0.00 0.00 0.00 179.25 180.81 2k2p h HIS 72 N 0.96 0.89 -0.59 0.00 6.17 -1.93 -1.77 115.15 118.88 2k2p h HIS 72 Ca 0.18 -0.28 -0.05 0.00 0.71 0.00 0.00 60.37 60.92 2k2p h HIS 72 Cb 0.50 -0.18 -0.03 0.00 2.52 0.00 0.00 27.41 30.23 2k2p h HIS 72 CO 0.03 1.05 0.16 0.82 0.71 0.00 0.00 177.93 180.70 2k2p h ILE 73 N 0.48 1.23 -0.28 6.26 1.08 -1.28 -2.22 117.51 122.79 2k2p h ILE 73 Ca 0.04 -0.83 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2k2p h ILE 73 Cb 0.93 0.61 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 2k2p h ILE 73 CO 0.08 0.31 0.05 0.00 -0.69 0.00 0.00 178.15 177.90 2k2p h ALA 74 N 1.30 1.56 -0.61 1.87 0.00 -1.23 -1.57 119.26 120.58 2k2p h ALA 74 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2k2p h ALA 74 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k2p h ALA 74 CO -0.00 0.33 0.14 0.93 0.00 0.00 0.00 179.25 180.64 2k2p h GLU 75 N 0.40 0.98 -0.11 0.00 5.08 -0.73 -2.20 114.58 118.01 2k2p h GLU 75 Ca 0.10 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 2k2p h GLU 75 Cb 0.20 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2k2p h GLU 75 CO -0.00 0.90 -0.09 0.82 -1.00 0.00 0.00 179.01 179.64 2k2p h ILE 76 N 0.90 1.35 0.00 3.13 2.04 -0.99 -1.97 117.51 121.96 2k2p h ILE 76 Ca 0.19 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.73 2k2p h ILE 76 Cb 0.37 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2k2p h ILE 76 CO 0.00 0.35 -0.49 -0.29 0.00 0.00 0.00 178.15 177.72 2k2p h ILE 77 N -0.14 1.04 0.00 -0.67 2.10 -1.38 -2.76 117.51 115.70 2k2p h ILE 77 Ca 0.02 -1.91 -0.15 0.00 1.08 0.00 0.00 64.86 63.90 2k2p h ILE 77 Cb 0.60 2.13 -0.02 0.00 -1.09 0.00 0.00 36.82 38.44 2k2p h ILE 77 CO 0.02 0.48 -0.73 0.00 -1.08 0.00 0.00 178.15 176.84 2k2p h THR 78 N 0.00 1.46 0.00 2.19 1.03 -1.40 -2.94 112.91 113.26 2k2p h THR 78 Ca -0.00 -2.57 0.00 0.00 -0.01 0.00 0.00 66.41 63.83 2k2p h THR 78 Cb 1.09 2.41 0.00 0.00 -1.07 0.00 0.00 68.15 70.58 2k2p h THR 78 CO 0.06 0.72 0.00 0.00 -0.01 0.00 0.00 175.52 176.29 2k2p h ALA 79 N 1.27 1.00 0.00 0.00 0.00 -1.06 -2.19 119.26 118.27 2k2p h ALA 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k2p h ALA 79 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2k2p h ALA 79 CO 0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.35 2k2p n ALA 80 N -1.99 2.62 -0.58 0.00 0.00 -1.11 -4.88 120.51 114.56 2k2p n ALA 80 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2k2p n ALA 80 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.82 0.75 3.98 0.00 0.00 -0.83 -5.05 105.19 104.86 2k2p n GLY 81 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.52 3.30 -0.31 1.61 1.51 -1.23 -5.06 117.35 114.66 2k2p s TYR 82 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 2k2p s TYR 82 Cb 0.00 -1.75 0.09 0.00 -0.11 0.00 0.00 41.96 40.19 2k2p s TYR 82 CO 0.00 0.25 0.01 0.95 -1.11 0.00 0.00 175.55 175.65 2k2p s THR 83 N -2.07 2.07 0.24 -0.71 -4.23 -1.26 -4.02 115.64 105.66 2k2p s THR 83 Ca 0.39 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 2k2p s THR 83 Cb -0.09 -2.42 0.22 0.00 1.34 0.00 0.00 72.50 71.55 2k2p s THR 83 CO 0.30 -0.42 1.89 1.55 -0.54 0.00 0.00 174.62 177.39 2k2p h PRO 84 N 7.72 1.27 0.00 3.99 0.13 -1.89 -3.18 132.00 140.03 2k2p h PRO 84 Ca -0.10 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2k2p h PRO 84 Cb 1.03 -0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.89 2k2p h PRO 84 CO 0.49 0.88 0.00 0.39 -0.23 0.00 0.00 178.00 179.53