#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 1.82 -0.52 0.00 0.00 -1.26 -4.67 107.32 102.69 2k2p s GLY 23 Ca 0.00 -1.86 -0.29 0.00 0.00 0.00 0.00 44.72 42.58 2k2p s GLY 23 CO 0.00 -1.44 1.23 1.08 0.00 0.00 0.00 173.10 173.97 2k2p s LEU 24 N -3.25 3.53 -0.42 0.66 1.43 -0.34 -4.82 118.68 115.46 2k2p s LEU 24 Ca 0.40 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.66 2k2p s LEU 24 Cb 0.05 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.95 2k2p s LEU 24 CO 0.19 -1.42 0.50 -0.44 0.23 0.00 0.00 176.35 175.40 2k2p s SER 25 N 3.07 6.24 0.02 2.29 0.01 -1.26 -1.32 113.70 122.75 2k2p s SER 25 Ca 0.48 -0.50 0.02 0.00 1.31 0.00 0.00 55.95 57.26 2k2p s SER 25 Cb -0.08 -2.25 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2k2p s SER 25 CO 0.29 -0.62 0.02 -0.36 0.41 0.00 0.00 173.24 172.98 2k2p s PHE 26 N 2.35 3.11 -0.04 2.43 0.08 -0.62 -4.98 117.98 120.32 2k2p s PHE 26 Ca 0.16 0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.34 2k2p s PHE 26 Cb -0.16 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.63 2k2p s PHE 26 CO 0.15 0.49 -0.19 -3.38 -0.10 0.00 0.00 175.22 172.18 2k2p s HIS 27 N -1.18 1.88 -0.10 0.36 -3.43 -1.26 -0.44 115.29 111.12 2k2p s HIS 27 Ca 0.22 -0.52 0.02 0.00 -0.80 0.00 0.00 55.06 53.99 2k2p s HIS 27 Cb -0.12 -1.25 0.01 0.00 -1.43 0.00 0.00 32.58 29.80 2k2p s HIS 27 CO 0.14 -0.16 -0.15 0.08 -2.00 0.00 0.00 174.74 172.65 2k2p s VAL 28 N -0.09 1.44 0.16 -5.38 1.01 -0.58 -3.39 120.40 113.58 2k2p s VAL 28 Ca -0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2k2p s VAL 28 Cb -0.11 -1.31 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 2k2p s VAL 28 CO 0.02 0.43 1.45 -0.33 0.00 0.00 0.00 175.10 176.66 2k2p h GLU 29 N 7.28 0.66 0.00 2.72 5.08 -1.47 -3.28 114.58 125.57 2k2p h GLU 29 Ca -0.30 -0.45 -0.03 0.00 -1.00 0.00 0.00 59.36 57.59 2k2p h GLU 29 Cb 1.18 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k2p h GLU 29 CO 0.48 1.06 -0.13 0.22 -1.00 0.00 0.00 179.01 179.65 2k2p h ASP 30 N 0.50 0.00 -2.57 1.42 3.58 -1.94 -3.45 116.42 113.95 2k2p h ASP 30 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.90 2k2p h ASP 30 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.22 2k2p h ASP 30 CO 0.12 0.13 1.11 -0.32 -2.88 0.00 0.00 179.24 177.39 2k2p s MET 31 N -3.42 4.18 -0.38 0.28 1.75 -1.24 -4.98 119.30 115.49 2k2p s MET 31 Ca 0.03 2.26 0.02 0.00 -1.25 0.00 0.00 55.69 56.75 2k2p s MET 31 Cb 0.08 -4.00 0.11 0.00 2.84 0.00 0.00 34.83 33.86 2k2p s MET 31 CO 0.64 -0.86 0.15 0.95 -0.65 0.00 0.00 175.02 175.25 2k2p s THR 32 N 4.06 1.53 0.00 10.11 -4.23 -1.26 -4.91 115.64 120.95 2k2p s THR 32 Ca 0.76 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 2k2p s THR 32 Cb -0.35 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2k2p s THR 32 CO 0.32 -0.75 0.00 0.00 -0.54 0.00 0.00 174.62 173.65 2k2p h GLY 34 N 0.00 0.00 2.00 0.00 0.00 -1.99 -2.45 103.07 100.63 2k2p h GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2k2p h GLY 34 CO 0.00 0.00 -0.20 0.45 0.00 0.00 0.00 176.54 176.79 2k2p h HIS 35 N 0.00 0.00 0.00 5.60 -0.00 -2.03 -2.69 115.15 116.04 2k2p h HIS 35 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2k2p h HIS 35 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2k2p h HIS 35 CO 0.00 0.20 -1.86 0.00 -0.00 0.00 0.00 177.93 176.27 2k2p h ALA 37 N 2.10 -0.49 -0.41 0.00 0.00 -1.09 -0.90 119.26 118.47 2k2p h ALA 37 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 37 Cb 0.92 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2k2p h ALA 37 CO 0.00 -0.82 0.02 0.78 0.00 0.00 0.00 179.25 179.23 2k2p h GLY 38 N -0.51 0.70 0.58 0.00 0.00 -1.86 -2.38 103.07 99.60 2k2p h GLY 38 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 2k2p h GLY 38 CO -0.13 0.39 -0.16 -2.08 0.00 0.00 0.00 176.54 174.56 2k2p h VAL 39 N 0.62 1.43 -0.12 4.60 2.07 -1.77 -2.67 116.25 120.41 2k2p h VAL 39 Ca 0.13 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.03 2k2p h VAL 39 Cb 0.36 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2k2p h VAL 39 CO 0.01 0.43 -0.35 -0.29 0.02 0.00 0.00 177.57 177.39 2k2p h ILE 40 N -0.30 1.28 0.78 4.57 2.10 -1.08 -0.76 117.51 124.09 2k2p h ILE 40 Ca -0.00 -1.35 -0.04 0.00 1.08 0.00 0.00 64.86 64.54 2k2p h ILE 40 Cb 0.77 1.58 0.01 0.00 -1.09 0.00 0.00 36.82 38.09 2k2p h ILE 40 CO 0.03 0.41 -0.37 0.11 -1.08 0.00 0.00 178.15 177.25 2k2p h LYS 41 N 0.21 -1.01 -0.06 2.19 1.57 -1.51 -3.34 116.57 114.62 2k2p h LYS 41 Ca 0.03 0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2k2p h LYS 41 Cb 0.71 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2k2p h LYS 41 CO 0.05 -0.66 -0.26 0.78 -0.57 0.00 0.00 179.45 178.79 2k2p h GLY 42 N -1.22 0.11 0.68 3.86 0.00 -1.23 -1.93 103.07 103.34 2k2p h GLY 42 Ca -0.11 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.17 2k2p h GLY 42 CO 0.18 0.07 -0.11 0.00 0.00 0.00 0.00 176.54 176.68 2k2p h ALA 43 N 1.64 -0.11 0.02 3.60 0.00 -1.27 -2.66 119.26 120.49 2k2p h ALA 43 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k2p h ALA 43 Cb 0.52 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2k2p h ALA 43 CO 0.04 -0.60 -0.01 0.82 0.00 0.00 0.00 179.25 179.50 2k2p h ILE 44 N -0.18 1.47 -0.58 0.00 2.04 -1.65 -3.32 117.51 115.29 2k2p h ILE 44 Ca 0.05 -1.59 0.03 0.00 1.00 0.00 0.00 64.86 64.35 2k2p h ILE 44 Cb 0.25 2.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 2k2p h ILE 44 CO -0.13 0.40 0.35 -0.08 0.00 0.00 0.00 178.15 178.69 2k2p h GLU 45 N -0.72 0.68 0.00 2.37 4.81 -1.31 -1.23 114.58 119.18 2k2p h GLU 45 Ca -0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 2k2p h GLU 45 Cb 0.68 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2k2p h GLU 45 CO 0.00 0.45 -0.79 0.87 -0.73 0.00 0.00 179.01 178.81 2k2p h LYS 46 N 0.70 0.00 -0.08 1.92 6.56 -1.67 -3.20 116.57 120.80 2k2p h LYS 46 Ca 0.23 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.60 2k2p h LYS 46 Cb 0.02 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.68 2k2p h LYS 46 CO -0.10 0.67 -0.85 1.15 -2.06 0.00 0.00 179.45 178.26 2k2p h THR 47 N 0.00 1.33 -3.35 -0.16 2.02 -1.53 -3.39 112.91 107.83 2k2p h THR 47 Ca -0.03 -2.16 -0.63 0.00 0.77 0.00 0.00 66.41 64.37 2k2p h THR 47 Cb 1.56 2.17 -0.40 0.00 -1.74 0.00 0.00 68.15 69.74 2k2p h THR 47 CO 0.09 0.66 -0.71 -0.69 0.37 0.00 0.00 175.52 175.24 2k2p s VAL 48 N -3.54 1.90 0.10 3.16 1.01 -0.51 -5.11 120.40 117.40 2k2p s VAL 48 Ca -0.08 -2.47 -0.31 0.00 0.00 0.00 0.00 61.98 59.11 2k2p s VAL 48 Cb 0.09 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 34.00 2k2p s VAL 48 CO 0.89 -0.73 1.85 -2.65 0.00 0.00 0.00 175.10 174.45 2k2p n PRO 49 N 3.90 2.73 0.00 2.72 -0.02 -1.21 -2.29 135.00 140.83 2k2p n PRO 49 Ca 0.04 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2k2p n PRO 49 Cb 0.38 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 4.26 0.60 3.55 -1.23 0.00 -1.26 -5.06 105.19 106.04 2k2p n GLY 50 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 3.10 -0.62 4.61 0.00 -0.97 -4.32 121.76 121.56 2k2p s ALA 51 Ca 0.00 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 2k2p s ALA 51 Cb 0.00 -3.85 0.06 0.00 0.00 0.00 0.00 23.12 19.33 2k2p s ALA 51 CO 0.00 -2.49 0.93 0.00 0.00 0.00 0.00 175.76 174.20 2k2p s ALA 52 N 4.34 3.15 -0.01 0.00 0.00 -0.59 -4.61 121.76 124.04 2k2p s ALA 52 Ca 0.35 -1.68 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 2k2p s ALA 52 Cb -0.10 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2k2p s ALA 52 CO 0.22 -2.62 0.85 0.14 0.00 0.00 0.00 175.76 174.35 2k2p s VAL 53 N 3.93 4.90 -0.40 0.00 -7.23 -1.26 -1.54 120.40 118.79 2k2p s VAL 53 Ca 0.24 1.78 0.04 0.00 -1.81 0.00 0.00 61.98 62.23 2k2p s VAL 53 Cb -0.16 -4.19 0.11 0.00 0.56 0.00 0.00 36.38 32.70 2k2p s VAL 53 CO 0.13 0.23 0.13 -2.28 -0.31 0.00 0.00 175.10 172.99 2k2p s HIS 54 N 0.74 3.45 -0.35 2.82 2.46 0.19 -4.94 115.29 119.66 2k2p s HIS 54 Ca 0.45 -3.00 -0.19 0.00 0.47 0.00 0.00 55.06 52.78 2k2p s HIS 54 Cb -0.20 -2.82 -0.00 0.00 -0.13 0.00 0.00 32.58 29.43 2k2p s HIS 54 CO 0.24 -0.87 0.58 0.00 -2.47 0.00 0.00 174.74 172.21 2k2p s ALA 55 N 0.52 3.47 -0.38 1.58 0.00 -1.26 -1.17 121.76 124.52 2k2p s ALA 55 Ca 0.13 -0.93 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2k2p s ALA 55 Cb -0.21 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2k2p s ALA 55 CO -0.06 -1.28 0.35 0.34 0.00 0.00 0.00 175.76 175.11 2k2p s ASP 56 N 1.77 6.15 0.11 0.00 -1.08 -0.55 -4.96 116.67 118.13 2k2p s ASP 56 Ca 0.22 -0.53 -0.23 0.00 -0.52 0.00 0.00 52.55 51.49 2k2p s ASP 56 Cb -0.15 -2.19 -0.08 0.00 -1.46 0.00 0.00 42.92 39.05 2k2p s ASP 56 CO 0.14 -0.42 1.69 1.55 0.52 0.00 0.00 175.17 178.66 2k2p h PRO 57 N 8.58 -0.14 -0.21 4.34 0.13 -1.90 0.15 132.00 142.94 2k2p h PRO 57 Ca -0.28 0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.70 2k2p h PRO 57 Cb 1.13 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2k2p h PRO 57 CO 0.72 -0.09 -0.47 0.00 -0.23 0.00 0.00 178.00 177.93 2k2p h ALA 58 N 0.87 0.35 0.00 -0.56 0.00 -1.96 -3.13 119.26 114.83 2k2p h ALA 58 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k2p h ALA 58 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k2p h ALA 58 CO -0.13 0.50 -0.59 0.45 0.00 0.00 0.00 179.25 179.48 2k2p n SER 59 N -4.16 0.59 -1.84 0.00 2.88 -1.24 -4.97 113.62 104.88 2k2p n SER 59 Ca -0.06 -0.05 -0.16 0.00 -1.33 0.00 0.00 58.87 57.28 2k2p n SER 59 Cb 0.58 0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 64.27 2k2p n SER 59 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k2p n ARG 60 N -1.83 -1.50 -3.79 -1.46 3.00 0.51 -4.80 116.66 106.78 2k2p n ARG 60 Ca 0.04 0.75 -0.37 0.00 -0.01 0.00 0.00 57.85 58.26 2k2p n ARG 60 Cb 0.39 -5.12 -0.13 0.00 0.00 0.00 0.00 32.46 27.61 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 -2.80 3.57 -0.48 0.55 2.01 -1.07 -1.53 115.64 115.90 2k2p s THR 61 Ca 0.02 -1.21 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 2k2p s THR 61 Cb -0.01 -3.03 0.07 0.00 0.01 0.00 0.00 72.50 69.53 2k2p s THR 61 CO 0.03 -0.17 0.44 -0.69 -0.69 0.00 0.00 174.62 173.54 2k2p s VAL 62 N 1.36 5.17 -0.31 3.82 1.01 0.42 -1.48 120.40 130.40 2k2p s VAL 62 Ca -0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 2k2p s VAL 62 Cb -0.20 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 2k2p s VAL 62 CO 0.02 -0.61 0.23 -0.69 0.00 0.00 0.00 175.10 174.04 2k2p s VAL 63 N 1.83 5.29 -0.31 2.92 1.01 -0.32 -1.58 120.40 129.23 2k2p s VAL 63 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.98 2k2p s VAL 63 Cb -0.23 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2k2p s VAL 63 CO 0.08 0.12 0.15 0.68 0.00 0.00 0.00 175.10 176.13 2k2p s VAL 64 N 1.78 4.53 -0.02 2.92 -7.23 -0.44 -0.63 120.40 121.31 2k2p s VAL 64 Ca 0.07 -0.47 -0.03 0.00 -1.81 0.00 0.00 61.98 59.74 2k2p s VAL 64 Cb -0.17 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.41 2k2p s VAL 64 CO 0.11 0.05 0.15 -0.83 -0.31 0.00 0.00 175.10 174.27 2k2p s GLY 65 N 1.60 2.14 0.00 2.32 0.00 -0.59 -1.20 107.32 111.58 2k2p s GLY 65 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.98 2k2p s GLY 65 CO 0.06 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2k2p n GLY 66 N 1.10 0.70 3.15 0.20 0.00 -1.26 -1.54 105.19 107.54 2k2p n GLY 66 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.29 1.09 -0.97 1.61 -7.23 -1.26 -4.85 120.40 106.50 2k2p s VAL 67 Ca 0.00 -1.11 0.09 0.00 -1.81 0.00 0.00 61.98 59.15 2k2p s VAL 67 Cb 0.00 -1.01 0.16 0.00 0.56 0.00 0.00 36.38 36.09 2k2p s VAL 67 CO 0.00 -0.09 1.00 -1.20 -0.31 0.00 0.00 175.10 174.49 2k2p n SER 68 N 1.66 2.26 -3.81 4.85 7.64 -1.26 -4.69 113.62 120.26 2k2p n SER 68 Ca -0.19 -1.68 -0.42 0.00 1.01 0.00 0.00 58.87 57.58 2k2p n SER 68 Cb 0.54 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.44 5.47 -0.30 6.43 9.92 -1.26 -4.77 116.55 132.48 2k2p n ASP 69 Ca 0.07 -3.11 -0.04 0.00 -0.53 0.00 0.00 54.79 51.19 2k2p n ASP 69 Cb 0.31 -1.46 0.11 0.00 -0.64 0.00 0.00 41.12 39.43 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 5.59 1.16 -0.43 2.24 0.00 -2.00 -1.53 119.26 124.29 2k2p h ALA 70 Ca 0.44 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 2k2p h ALA 70 Cb 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k2p h ALA 70 CO 1.62 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 181.46 2k2p h ALA 71 N 1.27 0.59 0.25 0.00 0.00 -2.00 -2.08 119.26 117.30 2k2p h ALA 71 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k2p h ALA 71 Cb 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k2p h ALA 71 CO -0.04 0.43 -0.12 0.45 0.00 0.00 0.00 179.25 179.97 2k2p h HIS 72 N 0.63 -0.31 -0.78 0.00 -0.00 -1.89 -2.72 115.15 110.09 2k2p h HIS 72 Ca 0.12 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.51 2k2p h HIS 72 Cb 0.56 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 28.03 2k2p h HIS 72 CO 0.04 -0.07 0.50 0.82 -0.00 0.00 0.00 177.93 179.23 2k2p h ILE 73 N -0.52 1.13 -0.84 2.45 1.08 -1.31 -1.56 117.51 117.95 2k2p h ILE 73 Ca -0.03 -0.34 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 2k2p h ILE 73 Cb 0.38 0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 2k2p h ILE 73 CO 0.06 0.18 0.53 0.00 -0.69 0.00 0.00 178.15 178.23 2k2p h ALA 74 N 1.32 1.12 -0.14 1.87 0.00 -1.39 -1.77 119.26 120.28 2k2p h ALA 74 Ca 0.31 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 2k2p h ALA 74 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2k2p h ALA 74 CO -0.10 0.33 -0.47 0.93 0.00 0.00 0.00 179.25 179.93 2k2p h GLU 75 N 1.01 0.36 0.08 0.00 4.39 -1.03 -2.56 114.58 116.83 2k2p h GLU 75 Ca 0.35 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2k2p h GLU 75 Cb 0.07 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2k2p h GLU 75 CO -0.14 0.76 -0.04 0.82 -1.16 0.00 0.00 179.01 179.25 2k2p h ILE 76 N 0.29 1.15 -0.10 3.13 2.04 -0.70 -1.59 117.51 121.72 2k2p h ILE 76 Ca 0.02 -0.88 -0.11 0.00 1.00 0.00 0.00 64.86 64.88 2k2p h ILE 76 Cb 0.94 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2k2p h ILE 76 CO 0.08 0.22 -0.43 -0.29 0.00 0.00 0.00 178.15 177.72 2k2p h ILE 77 N -0.51 1.32 0.01 -0.67 2.10 -1.41 -1.92 117.51 116.42 2k2p h ILE 77 Ca -0.01 -1.57 -0.19 0.00 1.08 0.00 0.00 64.86 64.17 2k2p h ILE 77 Cb 0.43 1.72 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 2k2p h ILE 77 CO 0.02 0.47 -0.87 0.00 -1.08 0.00 0.00 178.15 176.68 2k2p h THR 78 N 0.19 1.54 0.00 2.19 1.03 -1.52 -3.06 112.91 113.28 2k2p h THR 78 Ca 0.01 -2.75 0.00 0.00 -0.01 0.00 0.00 66.41 63.66 2k2p h THR 78 Cb 0.84 2.52 0.00 0.00 -1.07 0.00 0.00 68.15 70.44 2k2p h THR 78 CO 0.07 0.79 0.00 0.00 -0.01 0.00 0.00 175.52 176.37 2k2p h ALA 79 N 1.04 1.00 -0.01 0.00 0.00 -0.87 -1.89 119.26 118.53 2k2p h ALA 79 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k2p h ALA 79 Cb 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2k2p h ALA 79 CO 0.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.37 2k2p n ALA 80 N -1.86 2.58 -0.37 0.00 0.00 -0.76 -4.88 120.51 115.22 2k2p n ALA 80 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2k2p n ALA 80 Cb 0.28 -1.23 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 0.76 0.74 3.92 0.00 0.00 -0.71 -5.06 105.19 104.83 2k2p n GLY 81 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.78 3.20 -0.65 1.61 2.02 -1.21 -5.01 117.35 114.54 2k2p s TYR 82 Ca 0.00 0.61 0.05 0.00 -0.37 0.00 0.00 57.07 57.36 2k2p s TYR 82 Cb 0.00 -2.81 0.17 0.00 -0.40 0.00 0.00 41.96 38.92 2k2p s TYR 82 CO 0.00 -0.91 0.45 0.95 -1.57 0.00 0.00 175.55 174.47 2k2p s THR 83 N -3.03 2.51 0.68 -0.71 -4.23 -1.26 -4.30 115.64 105.30 2k2p s THR 83 Ca 0.55 -3.96 -0.04 0.00 -1.18 0.00 0.00 61.69 57.06 2k2p s THR 83 Cb -0.11 -2.66 0.08 0.00 1.34 0.00 0.00 72.50 71.15 2k2p s THR 83 CO 0.45 -1.02 0.97 -2.16 -0.54 0.00 0.00 174.62 172.32 2k2p s PRO 84 N -1.13 2.08 0.00 3.99 0.04 -1.26 -1.15 135.00 137.57 2k2p s PRO 84 Ca 0.25 -0.56 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2k2p s PRO 84 Cb -0.06 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2k2p s PRO 84 CO -0.15 -1.22 0.00 -1.91 0.04 0.00 0.00 177.00 173.75