#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2p s GLY 23 N 0.00 1.57 -0.51 0.00 0.00 -1.26 -3.21 107.32 103.90 2k2p s GLY 23 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 2k2p s GLY 23 CO 0.00 0.19 1.15 1.08 0.00 0.00 0.00 173.10 175.51 2k2p s LEU 24 N 1.03 3.59 -0.18 0.66 1.43 -0.37 -4.70 118.68 120.14 2k2p s LEU 24 Ca -0.00 0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 2k2p s LEU 24 Cb -0.15 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 2k2p s LEU 24 CO -0.01 -1.33 0.66 -0.94 0.23 0.00 0.00 176.35 174.96 2k2p s SER 25 N 2.64 6.74 -0.23 2.29 1.04 -1.26 -1.33 113.70 123.59 2k2p s SER 25 Ca 0.46 0.90 0.02 0.00 0.48 0.00 0.00 55.95 57.81 2k2p s SER 25 Cb -0.07 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.73 2k2p s SER 25 CO 0.29 -0.27 -0.12 -0.36 0.98 0.00 0.00 173.24 173.77 2k2p s PHE 26 N 1.80 2.91 -0.60 5.02 0.08 -0.32 -4.94 117.98 121.92 2k2p s PHE 26 Ca 0.31 -1.99 -0.26 0.00 0.12 0.00 0.00 56.93 55.11 2k2p s PHE 26 Cb -0.16 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.50 2k2p s PHE 26 CO 0.11 -0.83 1.08 -1.01 -0.10 0.00 0.00 175.22 174.47 2k2p s HIS 27 N 1.23 2.64 -0.13 0.36 3.76 -1.26 -1.14 115.29 120.75 2k2p s HIS 27 Ca -0.05 0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 54.71 2k2p s HIS 27 Cb -0.18 -4.33 -0.04 0.00 1.11 0.00 0.00 32.58 29.15 2k2p s HIS 27 CO -0.07 -1.58 0.56 0.08 -0.85 0.00 0.00 174.74 172.88 2k2p s VAL 28 N 4.56 5.12 0.20 -0.90 1.01 -0.55 -4.47 120.40 125.38 2k2p s VAL 28 Ca 0.34 1.11 -0.08 0.00 0.00 0.00 0.00 61.98 63.35 2k2p s VAL 28 Cb -0.11 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.50 2k2p s VAL 28 CO 0.19 0.26 1.73 1.05 0.00 0.00 0.00 175.10 178.33 2k2p h GLU 29 N 6.93 1.14 -0.01 2.72 4.11 -1.75 -3.31 114.58 124.41 2k2p h GLU 29 Ca -0.39 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 58.78 2k2p h GLU 29 Cb 1.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k2p h GLU 29 CO 0.76 0.99 -0.49 -0.40 0.07 0.00 0.00 179.01 179.94 2k2p n ASP 30 N -4.23 1.38 -4.74 3.06 5.75 -1.26 -5.00 116.55 111.51 2k2p n ASP 30 Ca 0.05 -1.19 -0.42 0.00 -0.01 0.00 0.00 54.79 53.23 2k2p n ASP 30 Cb 0.25 0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 40.97 2k2p n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k2p s MET 31 N -2.16 4.26 0.28 0.11 0.23 -1.25 -5.04 119.30 115.73 2k2p s MET 31 Ca 0.11 2.29 0.08 0.00 -1.03 0.00 0.00 55.69 57.14 2k2p s MET 31 Cb 0.13 -3.13 -0.04 0.00 -1.53 0.00 0.00 34.83 30.26 2k2p s MET 31 CO 0.51 -0.46 0.18 0.95 -2.03 0.00 0.00 175.02 174.17 2k2p s THR 32 N 0.37 3.95 0.00 3.16 -4.23 -1.26 -4.94 115.64 112.69 2k2p s THR 32 Ca 0.62 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2k2p s THR 32 Cb -0.42 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2k2p s THR 32 CO 0.39 -0.30 0.00 0.00 -0.54 0.00 0.00 174.62 174.17 2k2p n GLY 34 N 3.66 -0.80 0.05 0.00 0.00 -1.26 -0.38 105.19 106.46 2k2p n GLY 34 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 2k2p n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2p n HIS 35 N -0.74 0.00 0.90 1.61 8.25 -1.26 -4.63 115.22 119.35 2k2p n HIS 35 Ca 0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.64 2k2p n HIS 35 Cb 0.04 -0.49 -0.09 0.00 1.12 0.00 0.00 29.99 30.57 2k2p n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k2p h ALA 37 N 2.87 0.42 0.00 0.00 0.00 -0.84 -2.68 119.26 119.04 2k2p h ALA 37 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 37 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k2p h ALA 37 CO 0.00 -0.05 -0.21 0.78 0.00 0.00 0.00 179.25 179.77 2k2p h GLY 38 N 0.42 0.00 0.66 0.00 0.00 -1.84 -0.55 103.07 101.75 2k2p h GLY 38 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 2k2p h GLY 38 CO -0.02 0.00 -0.21 -2.08 0.00 0.00 0.00 176.54 174.23 2k2p h VAL 39 N 0.00 1.41 0.53 4.60 2.07 -1.76 -0.96 116.25 122.14 2k2p h VAL 39 Ca -0.00 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 65.94 2k2p h VAL 39 Cb 0.44 2.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2k2p h VAL 39 CO 0.03 0.44 -0.26 0.40 0.02 0.00 0.00 177.57 178.20 2k2p h ILE 40 N -0.18 0.48 -0.60 4.57 2.04 -1.21 -1.93 117.51 120.68 2k2p h ILE 40 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2k2p h ILE 40 Cb 0.82 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2k2p h ILE 40 CO 0.05 0.00 0.33 0.11 0.00 0.00 0.00 178.15 178.64 2k2p h LYS 41 N -0.72 0.83 -0.57 2.37 1.57 -1.19 -2.13 116.57 116.74 2k2p h LYS 41 Ca -0.07 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2k2p h LYS 41 Cb 0.55 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2k2p h LYS 41 CO 0.12 0.63 0.19 0.78 -0.57 0.00 0.00 179.45 180.60 2k2p h GLY 42 N 0.81 0.94 0.89 3.86 0.00 -1.19 -1.11 103.07 107.29 2k2p h GLY 42 Ca 0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2k2p h GLY 42 CO -0.03 0.51 -0.22 0.00 0.00 0.00 0.00 176.54 176.80 2k2p h ALA 43 N 1.05 -0.62 0.09 3.60 0.00 -1.10 -2.85 119.26 119.44 2k2p h ALA 43 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k2p h ALA 43 Cb 0.27 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k2p h ALA 43 CO -0.01 -0.79 -0.04 0.82 0.00 0.00 0.00 179.25 179.23 2k2p h ILE 44 N -0.73 1.05 -0.43 0.00 2.04 -1.39 -3.04 117.51 115.00 2k2p h ILE 44 Ca -0.06 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2k2p h ILE 44 Cb 0.53 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 2k2p h ILE 44 CO 0.10 0.12 0.26 -0.08 0.00 0.00 0.00 178.15 178.56 2k2p h GLU 45 N -0.34 0.58 0.00 2.37 4.57 -1.28 -0.94 114.58 119.53 2k2p h GLU 45 Ca -0.01 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 2k2p h GLU 45 Cb 0.29 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2k2p h GLU 45 CO 0.02 0.42 -0.10 0.87 -1.18 0.00 0.00 179.01 179.03 2k2p h LYS 46 N 0.57 0.00 0.17 1.92 6.56 -1.59 -2.88 116.57 121.33 2k2p h LYS 46 Ca 0.15 0.00 -0.34 0.00 -1.06 0.00 0.00 60.65 59.40 2k2p h LYS 46 Cb -0.02 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2k2p h LYS 46 CO -0.03 0.10 -1.72 1.15 -2.06 0.00 0.00 179.45 176.89 2k2p h THR 47 N 0.00 0.97 -3.31 -0.16 2.02 -1.39 -3.40 112.91 107.63 2k2p h THR 47 Ca -0.00 -2.56 -0.65 0.00 0.77 0.00 0.00 66.41 63.98 2k2p h THR 47 Cb 1.01 2.76 -0.40 0.00 -1.74 0.00 0.00 68.15 69.78 2k2p h THR 47 CO 0.01 0.85 -0.54 -0.69 0.37 0.00 0.00 175.52 175.52 2k2p s VAL 48 N -2.58 2.94 -0.33 3.16 1.01 -0.37 -5.08 120.40 119.14 2k2p s VAL 48 Ca -0.15 -3.60 -0.27 0.00 0.00 0.00 0.00 61.98 57.95 2k2p s VAL 48 Cb 0.06 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2k2p s VAL 48 CO 0.85 -0.89 2.19 -2.84 0.00 0.00 0.00 175.10 174.42 2k2p s PRO 49 N -0.68 2.85 0.00 2.72 0.02 -1.09 -2.10 135.00 136.71 2k2p s PRO 49 Ca 0.20 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.92 2k2p s PRO 49 Cb -0.18 -4.41 0.00 0.00 0.02 0.00 0.00 34.50 29.93 2k2p s PRO 49 CO -0.06 -2.43 0.00 0.41 -0.33 0.00 0.00 177.00 174.59 2k2p n GLY 50 N 5.78 1.29 3.59 0.52 0.00 -1.26 -5.10 105.19 110.01 2k2p n GLY 50 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.91 2.96 -0.79 4.61 0.00 -0.89 -4.62 121.76 121.12 2k2p s ALA 51 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.18 2k2p s ALA 51 Cb 0.00 -4.01 0.01 0.00 0.00 0.00 0.00 23.12 19.11 2k2p s ALA 51 CO 0.00 -2.63 1.58 0.00 0.00 0.00 0.00 175.76 174.71 2k2p s ALA 52 N 5.44 2.41 -0.02 0.00 0.00 -0.49 -4.68 121.76 124.42 2k2p s ALA 52 Ca 0.53 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 50.88 2k2p s ALA 52 Cb -0.10 -4.37 -0.05 0.00 0.00 0.00 0.00 23.12 18.59 2k2p s ALA 52 CO 0.28 -3.77 0.66 0.14 0.00 0.00 0.00 175.76 173.08 2k2p s VAL 53 N 7.19 4.92 -0.30 0.00 -7.23 -1.26 -1.34 120.40 122.38 2k2p s VAL 53 Ca 0.52 1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 62.04 2k2p s VAL 53 Cb -0.07 -4.00 0.10 0.00 0.56 0.00 0.00 36.38 32.96 2k2p s VAL 53 CO 0.09 0.35 0.13 -2.28 -0.31 0.00 0.00 175.10 173.08 2k2p s HIS 54 N 0.18 0.58 -0.35 2.82 2.46 -0.18 -4.96 115.29 115.85 2k2p s HIS 54 Ca 0.35 -1.08 -0.24 0.00 0.47 0.00 0.00 55.06 54.55 2k2p s HIS 54 Cb -0.18 -1.04 0.01 0.00 -0.13 0.00 0.00 32.58 31.23 2k2p s HIS 54 CO 0.19 -0.84 0.84 0.00 -2.47 0.00 0.00 174.74 172.46 2k2p s ALA 55 N 1.94 3.46 -0.26 1.58 0.00 -1.26 -1.16 121.76 126.05 2k2p s ALA 55 Ca 0.10 -0.49 -0.14 0.00 0.00 0.00 0.00 51.96 51.43 2k2p s ALA 55 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 2k2p s ALA 55 CO -0.32 -1.44 0.32 0.34 0.00 0.00 0.00 175.76 174.65 2k2p s ASP 56 N 1.78 6.20 0.15 0.00 2.15 -0.16 -4.95 116.67 121.83 2k2p s ASP 56 Ca 0.34 0.22 -0.18 0.00 0.43 0.00 0.00 52.55 53.37 2k2p s ASP 56 Cb -0.13 -2.18 0.03 0.00 -0.30 0.00 0.00 42.92 40.34 2k2p s ASP 56 CO 0.16 -0.13 1.72 -0.65 -0.17 0.00 0.00 175.17 176.10 2k2p h PRO 57 N 8.11 0.11 -0.04 4.34 0.11 -1.96 -1.04 132.00 141.63 2k2p h PRO 57 Ca -0.33 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.59 2k2p h PRO 57 Cb 1.17 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k2p h PRO 57 CO 0.63 0.07 -0.69 0.00 -0.21 0.00 0.00 178.00 177.80 2k2p h ALA 58 N 1.24 0.13 0.00 -0.75 0.00 -1.99 -3.32 119.26 114.58 2k2p h ALA 58 Ca 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k2p h ALA 58 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k2p h ALA 58 CO -0.22 0.46 -0.99 0.43 0.00 0.00 0.00 179.25 178.92 2k2p n SER 59 N -4.12 0.62 -3.62 0.00 7.64 -1.24 -4.98 113.62 107.92 2k2p n SER 59 Ca -0.10 -0.14 -0.24 0.00 1.01 0.00 0.00 58.87 59.40 2k2p n SER 59 Cb 0.71 0.72 0.08 0.00 -1.01 0.00 0.00 64.21 64.71 2k2p n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k2p n ARG 60 N -2.01 -7.74 -4.08 1.43 3.00 -0.40 -4.88 116.66 101.97 2k2p n ARG 60 Ca 0.02 0.81 -0.32 0.00 -0.01 0.00 0.00 57.85 58.35 2k2p n ARG 60 Cb 0.44 -5.85 -0.16 0.00 0.00 0.00 0.00 32.46 26.89 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 -3.32 1.93 -0.48 0.55 2.01 -1.19 -1.49 115.64 113.65 2k2p s THR 61 Ca 0.57 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 2k2p s THR 61 Cb -0.26 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.52 2k2p s THR 61 CO 0.74 0.45 0.47 -0.69 -0.69 0.00 0.00 174.62 174.90 2k2p s VAL 62 N 1.33 5.11 -0.24 3.82 1.01 -0.29 -0.99 120.40 130.14 2k2p s VAL 62 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2k2p s VAL 62 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2k2p s VAL 62 CO -0.12 -0.63 0.13 -0.69 0.00 0.00 0.00 175.10 173.80 2k2p s VAL 63 N 2.00 5.01 -0.29 2.92 1.01 -0.31 -1.18 120.40 129.57 2k2p s VAL 63 Ca 0.08 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.13 2k2p s VAL 63 Cb -0.22 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 32.88 2k2p s VAL 63 CO 0.09 0.33 -0.04 0.68 0.00 0.00 0.00 175.10 176.16 2k2p s VAL 64 N 1.28 2.58 0.45 2.92 -7.23 -0.44 -1.01 120.40 118.96 2k2p s VAL 64 Ca 0.06 -1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2k2p s VAL 64 Cb -0.14 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 2k2p s VAL 64 CO 0.06 -0.11 0.71 -0.83 -0.31 0.00 0.00 175.10 174.61 2k2p s GLY 65 N 1.18 1.49 0.00 2.32 0.00 -0.45 -1.23 107.32 110.63 2k2p s GLY 65 Ca -0.06 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2k2p s GLY 65 CO -0.03 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.03 2k2p n GLY 66 N -2.13 0.86 3.20 0.20 0.00 -1.20 -1.39 105.19 104.73 2k2p n GLY 66 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.54 1.28 -0.65 1.61 -7.23 -1.26 -4.94 120.40 105.67 2k2p s VAL 67 Ca 0.00 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2k2p s VAL 67 Cb 0.00 -1.19 0.11 0.00 0.56 0.00 0.00 36.38 35.85 2k2p s VAL 67 CO 0.00 -0.13 0.91 -1.20 -0.31 0.00 0.00 175.10 174.37 2k2p n SER 68 N 1.36 1.99 -3.71 4.85 7.64 -1.26 -4.65 113.62 119.84 2k2p n SER 68 Ca -0.20 -1.61 -0.42 0.00 1.01 0.00 0.00 58.87 57.65 2k2p n SER 68 Cb 0.54 -0.06 -0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.21 4.87 -0.15 6.43 9.92 -1.26 -4.77 116.55 131.80 2k2p n ASP 69 Ca 0.05 -2.90 -0.08 0.00 -0.53 0.00 0.00 54.79 51.33 2k2p n ASP 69 Cb 0.25 -1.59 0.01 0.00 -0.64 0.00 0.00 41.12 39.15 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 5.76 0.58 -0.35 2.24 0.00 -2.00 -1.38 119.26 124.12 2k2p h ALA 70 Ca 0.56 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 2k2p h ALA 70 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2k2p h ALA 70 CO 1.79 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 181.11 2k2p h ALA 71 N 1.11 0.48 0.22 0.00 0.00 -2.00 -2.71 119.26 116.36 2k2p h ALA 71 Ca 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 71 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k2p h ALA 71 CO -0.03 0.26 -0.10 0.45 0.00 0.00 0.00 179.25 179.82 2k2p h HIS 72 N 0.44 -0.27 -0.73 0.00 -0.00 -1.91 -2.19 115.15 110.49 2k2p h HIS 72 Ca 0.10 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.51 2k2p h HIS 72 Cb 0.48 0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 2k2p h HIS 72 CO 0.04 -0.08 0.44 0.82 -0.00 0.00 0.00 177.93 179.15 2k2p h ILE 73 N -0.42 1.03 -0.90 2.45 1.08 -1.31 -1.39 117.51 118.05 2k2p h ILE 73 Ca -0.03 -0.28 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2k2p h ILE 73 Cb 0.32 0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.16 2k2p h ILE 73 CO 0.05 0.15 0.60 0.00 -0.69 0.00 0.00 178.15 178.26 2k2p h ALA 74 N 1.35 1.37 -0.27 1.87 0.00 -1.41 -2.34 119.26 119.82 2k2p h ALA 74 Ca 0.31 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2k2p h ALA 74 Cb 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2k2p h ALA 74 CO -0.15 0.58 -0.35 0.93 0.00 0.00 0.00 179.25 180.26 2k2p h GLU 75 N 1.21 0.60 0.09 0.00 4.39 -0.62 -2.40 114.58 117.85 2k2p h GLU 75 Ca 0.34 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2k2p h GLU 75 Cb -0.12 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 2k2p h GLU 75 CO -0.08 0.86 -0.04 0.82 -1.16 0.00 0.00 179.01 179.41 2k2p h ILE 76 N 0.50 1.15 -0.02 3.13 2.04 -1.00 -2.29 117.51 121.02 2k2p h ILE 76 Ca 0.05 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.78 2k2p h ILE 76 Cb 0.84 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 2k2p h ILE 76 CO 0.07 0.24 -0.52 -0.29 0.00 0.00 0.00 178.15 177.66 2k2p h ILE 77 N -0.60 1.37 -0.00 -0.67 2.10 -1.50 -0.64 117.51 117.58 2k2p h ILE 77 Ca -0.01 -1.78 -0.16 0.00 1.08 0.00 0.00 64.86 63.99 2k2p h ILE 77 Cb 0.49 1.94 -0.02 0.00 -1.09 0.00 0.00 36.82 38.14 2k2p h ILE 77 CO 0.02 0.51 -0.75 0.00 -1.08 0.00 0.00 178.15 176.85 2k2p h THR 78 N 0.04 1.53 0.00 2.19 1.03 -1.40 -2.04 112.91 114.26 2k2p h THR 78 Ca -0.00 -2.54 -0.05 0.00 -0.01 0.00 0.00 66.41 63.81 2k2p h THR 78 Cb 0.93 2.37 -0.01 0.00 -1.07 0.00 0.00 68.15 70.37 2k2p h THR 78 CO 0.07 0.73 -0.22 0.00 -0.01 0.00 0.00 175.52 176.09 2k2p h ALA 79 N 1.23 0.94 0.00 0.00 0.00 -0.97 -2.42 119.26 118.05 2k2p h ALA 79 Ca -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k2p h ALA 79 Cb 1.32 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k2p h ALA 79 CO 0.10 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.62 2k2p n ALA 80 N -2.19 2.28 0.00 0.00 0.00 -0.28 -4.91 120.51 115.41 2k2p n ALA 80 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k2p n ALA 80 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.02 0.98 3.39 0.00 0.00 -0.91 -5.02 105.19 104.65 2k2p n GLY 81 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 3.02 -0.59 1.61 2.02 -0.80 -5.01 117.35 115.61 2k2p s TYR 82 Ca 0.00 -0.63 -0.23 0.00 -0.37 0.00 0.00 57.07 55.85 2k2p s TYR 82 Cb 0.00 -2.14 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 2k2p s TYR 82 CO 0.00 -0.39 0.91 0.99 -1.57 0.00 0.00 175.55 175.48 2k2p s THR 83 N 1.37 4.43 0.00 -0.71 2.01 -1.26 -3.23 115.64 118.24 2k2p s THR 83 Ca 0.05 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.95 2k2p s THR 83 Cb -0.15 -4.56 0.00 0.00 0.01 0.00 0.00 72.50 67.80 2k2p s THR 83 CO 0.01 -1.21 0.00 -0.81 -0.69 0.00 0.00 174.62 171.92 2k2p n PRO 84 N 7.37 0.00 -0.48 4.92 -0.05 -1.26 -2.37 135.00 143.13 2k2p n PRO 84 Ca -0.02 0.12 0.00 0.00 -0.05 0.00 0.00 63.50 63.55 2k2p n PRO 84 Cb 0.46 -0.49 0.00 0.00 -0.05 0.00 0.00 33.50 33.42 2k2p n PRO 84 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84