#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 0.37 3.58 0.00 0.00 -1.26 -5.00 105.19 102.88 2k2p n GLY 23 Ca 0.00 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 2k2p n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k2p s LEU 24 N 0.00 3.79 -0.29 0.99 1.98 -0.58 -4.76 118.68 119.81 2k2p s LEU 24 Ca 0.00 0.27 -0.18 0.00 -2.89 0.00 0.00 54.13 51.32 2k2p s LEU 24 Cb 0.00 -3.35 -0.02 0.00 0.66 0.00 0.00 46.19 43.48 2k2p s LEU 24 CO 0.00 -1.19 0.52 -0.44 -1.89 0.00 0.00 176.35 173.36 2k2p s SER 25 N 2.43 6.41 -0.35 3.68 0.01 -1.26 -1.57 113.70 123.05 2k2p s SER 25 Ca 0.43 0.38 -0.09 0.00 1.31 0.00 0.00 55.95 57.98 2k2p s SER 25 Cb -0.08 -2.28 0.03 0.00 0.21 0.00 0.00 66.02 63.89 2k2p s SER 25 CO 0.29 -0.35 0.16 -0.36 0.41 0.00 0.00 173.24 173.39 2k2p s PHE 26 N 2.36 3.24 -0.88 2.43 0.40 -0.54 -4.96 117.98 120.02 2k2p s PHE 26 Ca 0.21 -1.08 -0.24 0.00 -0.60 0.00 0.00 56.93 55.22 2k2p s PHE 26 Cb -0.15 -2.37 0.05 0.00 0.51 0.00 0.00 43.02 41.06 2k2p s PHE 26 CO 0.10 -0.66 1.31 -1.01 0.70 0.00 0.00 175.22 175.67 2k2p s HIS 27 N 1.51 2.52 -0.77 0.36 3.76 -1.26 -1.31 115.29 120.10 2k2p s HIS 27 Ca 0.01 -0.60 -0.18 0.00 -0.15 0.00 0.00 55.06 54.14 2k2p s HIS 27 Cb -0.19 -4.59 0.14 0.00 1.11 0.00 0.00 32.58 29.04 2k2p s HIS 27 CO 0.05 -1.91 0.89 0.08 -0.85 0.00 0.00 174.74 173.00 2k2p s VAL 28 N 4.90 4.92 -0.72 -0.90 1.01 0.12 -4.68 120.40 125.05 2k2p s VAL 28 Ca 0.38 -1.47 0.21 0.00 0.00 0.00 0.00 61.98 61.11 2k2p s VAL 28 Cb -0.05 -4.60 0.21 0.00 0.00 0.00 0.00 36.38 31.94 2k2p s VAL 28 CO 0.01 -1.27 1.65 -0.62 0.00 0.00 0.00 175.10 174.87 2k2p n GLU 29 N 6.01 0.12 0.14 2.72 -0.58 -1.26 -1.60 120.64 126.19 2k2p n GLU 29 Ca 0.08 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.25 2k2p n GLU 29 Cb 0.46 -1.71 0.11 0.00 -0.57 0.00 0.00 31.44 29.73 2k2p n GLU 29 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 2k2p h ASP 30 N 0.00 0.00 -2.24 1.62 3.58 -1.91 -3.48 116.42 113.99 2k2p h ASP 30 Ca 0.00 -0.03 -0.59 0.00 0.42 0.00 0.00 57.03 56.84 2k2p h ASP 30 Cb 0.37 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.47 2k2p h ASP 30 CO 0.00 0.01 0.84 0.80 -2.88 0.00 0.00 179.24 178.01 2k2p n MET 31 N -2.73 2.16 -2.67 0.28 1.56 -0.63 -5.01 117.12 110.07 2k2p n MET 31 Ca 0.02 0.78 -0.26 0.00 -0.27 0.00 0.00 57.70 57.97 2k2p n MET 31 Cb 0.52 -2.56 0.01 0.00 2.15 0.00 0.00 33.22 33.34 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 1.34 4.39 0.00 1.12 -4.23 -1.26 -4.93 115.64 112.08 2k2p s THR 32 Ca 0.81 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.29 2k2p s THR 32 Cb -0.68 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.48 2k2p s THR 32 CO 0.40 -0.63 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 2k2p h GLY 34 N -0.18 0.00 2.00 0.00 0.00 -1.96 -0.95 103.07 101.98 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 0.84 0.00 0.00 0.00 176.54 177.18 2k2p h HIS 35 N 0.00 0.00 -0.02 5.60 -0.00 -2.04 -2.94 115.15 115.74 2k2p h HIS 35 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2k2p h HIS 35 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.82 2k2p h HIS 35 CO 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 177.93 178.13 2k2p h ALA 37 N 0.16 0.80 -0.37 0.00 0.00 -1.30 -3.33 119.26 115.22 2k2p h ALA 37 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 2k2p h ALA 37 Cb 1.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2k2p h ALA 37 CO 0.02 0.70 -0.12 0.78 0.00 0.00 0.00 179.25 180.63 2k2p h GLY 38 N 1.26 0.70 1.25 0.00 0.00 -1.84 -1.40 103.07 103.04 2k2p h GLY 38 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.67 2k2p h GLY 38 CO 0.10 0.47 -0.41 -0.24 0.00 0.00 0.00 176.54 176.46 2k2p h VAL 39 N 0.59 1.28 -0.14 4.60 3.04 -1.92 -0.47 116.25 123.24 2k2p h VAL 39 Ca 0.10 -1.58 -0.17 0.00 -1.01 0.00 0.00 66.70 64.04 2k2p h VAL 39 Cb 0.55 1.45 0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2k2p h VAL 39 CO 0.03 0.52 -0.57 0.40 -1.01 0.00 0.00 177.57 176.95 2k2p h ILE 40 N 0.67 1.33 0.10 3.17 2.04 -1.64 -1.87 117.51 121.31 2k2p h ILE 40 Ca 0.05 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.09 2k2p h ILE 40 Cb 0.98 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2k2p h ILE 40 CO 0.09 0.57 -0.24 0.11 0.00 0.00 0.00 178.15 178.68 2k2p h LYS 41 N 0.28 -0.42 -0.04 2.37 1.57 -1.30 -3.19 116.57 115.84 2k2p h LYS 41 Ca -0.03 0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2k2p h LYS 41 Cb 1.20 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2k2p h LYS 41 CO 0.12 -0.28 -0.18 0.78 -0.57 0.00 0.00 179.45 179.32 2k2p h GLY 42 N -0.43 0.07 0.87 3.86 0.00 -1.01 -0.82 103.07 105.61 2k2p h GLY 42 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2k2p h GLY 42 CO -0.15 0.04 -0.34 0.00 0.00 0.00 0.00 176.54 176.09 2k2p h ALA 43 N 1.76 -0.86 0.01 3.60 0.00 -1.33 -2.68 119.26 119.75 2k2p h ALA 43 Ca 0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2k2p h ALA 43 Cb 0.36 0.41 0.02 0.00 0.00 0.00 0.00 17.79 18.58 2k2p h ALA 43 CO 0.02 -1.00 -0.81 0.82 0.00 0.00 0.00 179.25 178.28 2k2p h ILE 44 N -0.85 1.36 -0.15 0.00 2.04 -1.56 -3.22 117.51 115.13 2k2p h ILE 44 Ca -0.07 -2.17 -0.01 0.00 1.00 0.00 0.00 64.86 63.62 2k2p h ILE 44 Cb 0.69 2.52 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 2k2p h ILE 44 CO 0.08 0.65 0.07 -0.08 0.00 0.00 0.00 178.15 178.87 2k2p h GLU 45 N 0.11 0.21 0.00 2.37 4.81 -1.23 -0.26 114.58 120.59 2k2p h GLU 45 Ca -0.10 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 2k2p h GLU 45 Cb 1.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 2k2p h GLU 45 CO 0.16 0.26 -0.38 0.87 -0.73 0.00 0.00 179.01 179.18 2k2p h LYS 46 N 0.12 0.00 0.21 1.92 6.56 -1.61 -3.15 116.57 120.60 2k2p h LYS 46 Ca 0.05 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.36 2k2p h LYS 46 Cb 0.11 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 31.80 2k2p h LYS 46 CO -0.01 0.38 -1.26 1.15 -2.06 0.00 0.00 179.45 177.66 2k2p h THR 47 N 0.00 1.33 -3.39 -0.16 2.02 -1.53 -3.42 112.91 107.76 2k2p h THR 47 Ca -0.00 -2.62 -0.63 0.00 0.77 0.00 0.00 66.41 63.93 2k2p h THR 47 Cb 0.96 3.07 -0.40 0.00 -1.74 0.00 0.00 68.15 70.04 2k2p h THR 47 CO 0.05 0.77 -0.70 -0.69 0.37 0.00 0.00 175.52 175.33 2k2p s VAL 48 N -2.53 2.04 -0.10 3.16 1.01 -0.12 -5.10 120.40 118.77 2k2p s VAL 48 Ca -0.12 -2.59 -0.29 0.00 0.00 0.00 0.00 61.98 58.98 2k2p s VAL 48 Cb 0.03 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2k2p s VAL 48 CO 0.89 -0.73 1.68 -2.16 0.00 0.00 0.00 175.10 174.78 2k2p s PRO 49 N 0.49 4.05 0.00 2.72 0.04 -1.20 -2.63 135.00 138.47 2k2p s PRO 49 Ca 0.14 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2k2p s PRO 49 Cb -0.22 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.30 2k2p s PRO 49 CO -0.06 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2k2p n GLY 50 N 4.34 1.23 3.58 0.56 0.00 -1.26 -5.08 105.19 108.56 2k2p n GLY 50 Ca 0.18 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 -1.39 2.78 -0.74 4.61 0.00 -1.08 -4.49 121.76 121.44 2k2p s ALA 51 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 51.28 2k2p s ALA 51 Cb 0.00 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 19.07 2k2p s ALA 51 CO 0.00 -2.91 1.29 0.00 0.00 0.00 0.00 175.76 174.14 2k2p s ALA 52 N 6.48 2.74 -0.42 0.00 0.00 -0.29 -4.66 121.76 125.61 2k2p s ALA 52 Ca 0.61 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.96 2k2p s ALA 52 Cb -0.13 -4.26 0.02 0.00 0.00 0.00 0.00 23.12 18.74 2k2p s ALA 52 CO 0.27 -3.31 0.85 0.14 0.00 0.00 0.00 175.76 173.72 2k2p s VAL 53 N 5.80 4.61 -0.47 0.00 -7.23 -1.26 -1.43 120.40 120.42 2k2p s VAL 53 Ca 0.36 0.76 -0.07 0.00 -1.81 0.00 0.00 61.98 61.22 2k2p s VAL 53 Cb -0.08 -4.33 0.12 0.00 0.56 0.00 0.00 36.38 32.65 2k2p s VAL 53 CO 0.15 -0.65 0.31 -2.28 -0.31 0.00 0.00 175.10 172.32 2k2p s HIS 54 N 3.41 3.49 -0.34 2.82 2.46 -0.10 -4.94 115.29 122.09 2k2p s HIS 54 Ca 0.34 -2.12 -0.26 0.00 0.47 0.00 0.00 55.06 53.49 2k2p s HIS 54 Cb -0.12 -3.40 0.01 0.00 -0.13 0.00 0.00 32.58 28.95 2k2p s HIS 54 CO 0.22 -0.98 0.93 0.00 -2.47 0.00 0.00 174.74 172.43 2k2p s ALA 55 N 1.18 3.46 -0.44 1.58 0.00 -1.26 -1.25 121.76 125.02 2k2p s ALA 55 Ca 0.08 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.59 2k2p s ALA 55 Cb -0.24 -3.51 0.10 0.00 0.00 0.00 0.00 23.12 19.46 2k2p s ALA 55 CO -0.02 -1.49 0.29 0.34 0.00 0.00 0.00 175.76 174.89 2k2p s ASP 56 N 1.77 5.66 0.28 0.00 -1.08 -0.28 -4.97 116.67 118.04 2k2p s ASP 56 Ca 0.38 -1.69 -0.01 0.00 -0.52 0.00 0.00 52.55 50.72 2k2p s ASP 56 Cb -0.12 -1.99 0.48 0.00 -1.46 0.00 0.00 42.92 39.82 2k2p s ASP 56 CO 0.16 -0.60 1.87 -0.65 0.52 0.00 0.00 175.17 176.47 2k2p h PRO 57 N 8.42 1.06 -0.15 4.34 0.11 -1.89 0.26 132.00 144.14 2k2p h PRO 57 Ca -0.22 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.72 2k2p h PRO 57 Cb 1.08 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2k2p h PRO 57 CO 0.80 0.70 -0.30 0.00 -0.21 0.00 0.00 178.00 178.99 2k2p h ALA 58 N 1.49 0.24 -0.00 -0.75 0.00 -1.97 -3.19 119.26 115.08 2k2p h ALA 58 Ca 0.45 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k2p h ALA 58 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k2p h ALA 58 CO -0.21 0.27 -0.77 0.45 0.00 0.00 0.00 179.25 179.00 2k2p n SER 59 N -4.38 0.78 -3.49 0.00 2.88 -1.22 -4.98 113.62 103.21 2k2p n SER 59 Ca -0.06 -0.66 -0.22 0.00 -1.33 0.00 0.00 58.87 56.59 2k2p n SER 59 Cb 0.48 0.65 0.08 0.00 -0.75 0.00 0.00 64.21 64.67 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 -1.49 -7.57 -4.09 -1.46 3.00 0.85 -4.78 116.66 101.11 2k2p n ARG 60 Ca 0.05 0.81 -0.31 0.00 -0.01 0.00 0.00 57.85 58.39 2k2p n ARG 60 Cb 0.33 -5.79 -0.16 0.00 0.00 0.00 0.00 32.46 26.84 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 1.72 -0.48 0.55 2.01 -0.84 -0.70 115.64 114.59 2k2p s THR 61 Ca 0.49 -0.73 -0.16 0.00 0.31 0.00 0.00 61.69 61.60 2k2p s THR 61 Cb -0.21 -1.59 0.07 0.00 0.01 0.00 0.00 72.50 70.77 2k2p s THR 61 CO 0.71 0.48 0.43 -0.69 -0.69 0.00 0.00 174.62 174.87 2k2p s VAL 62 N 1.38 5.17 -0.28 3.82 1.01 -0.43 -1.13 120.40 129.95 2k2p s VAL 62 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 2k2p s VAL 62 Cb -0.13 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 2k2p s VAL 62 CO -0.11 -0.61 0.15 -0.69 0.00 0.00 0.00 175.10 173.85 2k2p s VAL 63 N 1.82 4.90 -0.39 2.92 1.01 -0.38 -1.47 120.40 128.80 2k2p s VAL 63 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 2k2p s VAL 63 Cb -0.23 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2k2p s VAL 63 CO 0.08 0.22 0.24 0.68 0.00 0.00 0.00 175.10 176.32 2k2p s VAL 64 N 1.69 4.66 0.32 2.92 -7.23 -0.61 -0.92 120.40 121.23 2k2p s VAL 64 Ca 0.06 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.14 2k2p s VAL 64 Cb -0.16 -3.66 -0.09 0.00 0.56 0.00 0.00 36.38 33.03 2k2p s VAL 64 CO 0.08 -0.32 0.74 -0.83 -0.31 0.00 0.00 175.10 174.47 2k2p s GLY 65 N 1.73 2.37 0.00 2.32 0.00 -0.51 -1.53 107.32 111.69 2k2p s GLY 65 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 44.72 44.81 2k2p s GLY 65 CO 0.06 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.07 2k2p n GLY 66 N -0.26 2.99 3.29 0.20 0.00 -1.26 -1.13 105.19 109.01 2k2p n GLY 66 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.92 1.88 0.00 1.61 -7.23 -1.26 -4.99 120.40 108.50 2k2p s VAL 67 Ca 0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2k2p s VAL 67 Cb 0.00 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.34 2k2p s VAL 67 CO 0.00 0.37 0.37 -1.20 -0.31 0.00 0.00 175.10 174.33 2k2p n SER 68 N 2.05 0.73 -4.57 4.85 7.64 -1.26 -3.99 113.62 119.07 2k2p n SER 68 Ca -0.16 -0.97 -0.40 0.00 1.01 0.00 0.00 58.87 58.35 2k2p n SER 68 Cb 0.52 0.04 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 2k2p n SER 68 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k2p s ASP 69 N -0.04 6.45 0.21 6.43 -4.77 -1.26 -4.84 116.67 118.86 2k2p s ASP 69 Ca 0.00 -1.94 -0.09 0.00 -3.30 0.00 0.00 52.55 47.22 2k2p s ASP 69 Cb 0.00 -2.58 0.17 0.00 -1.09 0.00 0.00 42.92 39.42 2k2p s ASP 69 CO 0.00 -1.56 1.84 0.00 0.70 0.00 0.00 175.17 176.15 2k2p h ALA 70 N 8.74 1.03 -0.46 2.11 0.00 -2.00 -2.86 119.26 125.82 2k2p h ALA 70 Ca 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2k2p h ALA 70 Cb 0.93 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k2p h ALA 70 CO 1.41 0.53 0.19 0.00 0.00 0.00 0.00 179.25 181.38 2k2p h ALA 71 N 1.24 0.59 -0.15 0.00 0.00 -1.99 -0.67 119.26 118.28 2k2p h ALA 71 Ca 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2k2p h ALA 71 Cb 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k2p h ALA 71 CO -0.05 0.19 -0.00 0.45 0.00 0.00 0.00 179.25 179.84 2k2p h HIS 72 N 0.59 0.29 -0.94 0.00 -0.00 -1.97 -2.52 115.15 110.61 2k2p h HIS 72 Ca 0.15 -0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2k2p h HIS 72 Cb 0.17 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.46 2k2p h HIS 72 CO -0.00 0.49 0.62 0.82 -0.00 0.00 0.00 177.93 179.86 2k2p h ILE 73 N 0.01 1.17 -0.69 2.45 1.08 -1.39 -2.32 117.51 117.83 2k2p h ILE 73 Ca 0.04 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 2k2p h ILE 73 Cb 0.38 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 2k2p h ILE 73 CO 0.01 0.22 0.29 0.00 -0.69 0.00 0.00 178.15 177.97 2k2p h ALA 74 N 1.45 1.21 -0.71 1.87 0.00 -1.00 -2.16 119.26 119.92 2k2p h ALA 74 Ca 0.37 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2k2p h ALA 74 Cb -0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2k2p h ALA 74 CO -0.11 0.58 0.21 0.93 0.00 0.00 0.00 179.25 180.87 2k2p h GLU 75 N 0.99 1.10 0.08 0.00 5.08 -0.98 -2.61 114.58 118.24 2k2p h GLU 75 Ca 0.23 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k2p h GLU 75 Cb 0.17 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k2p h GLU 75 CO -0.02 0.94 -0.04 0.82 -1.00 0.00 0.00 179.01 179.71 2k2p h ILE 76 N 1.06 1.15 -0.28 3.13 2.04 -1.13 -2.18 117.51 121.29 2k2p h ILE 76 Ca 0.23 -0.88 -0.12 0.00 1.00 0.00 0.00 64.86 65.08 2k2p h ILE 76 Cb 0.31 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 2k2p h ILE 76 CO -0.01 0.22 -0.33 -0.29 0.00 0.00 0.00 178.15 177.74 2k2p h ILE 77 N -0.52 1.28 0.00 -0.67 2.10 -1.47 -2.52 117.51 115.72 2k2p h ILE 77 Ca -0.01 -1.45 -0.09 0.00 1.08 0.00 0.00 64.86 64.38 2k2p h ILE 77 Cb 0.44 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.58 2k2p h ILE 77 CO 0.02 0.47 -0.45 0.00 -1.08 0.00 0.00 178.15 177.10 2k2p h THR 78 N 0.52 1.07 0.00 2.19 1.03 -1.22 -2.45 112.91 114.05 2k2p h THR 78 Ca 0.06 -1.69 -0.07 0.00 -0.01 0.00 0.00 66.41 64.70 2k2p h THR 78 Cb 0.82 1.98 -0.01 0.00 -1.07 0.00 0.00 68.15 69.87 2k2p h THR 78 CO 0.07 0.44 -0.32 0.00 -0.01 0.00 0.00 175.52 175.70 2k2p h ALA 79 N 1.55 1.46 0.00 0.00 0.00 -0.97 -1.52 119.26 119.79 2k2p h ALA 79 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k2p h ALA 79 Cb 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k2p h ALA 79 CO 0.06 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.71 2k2p n ALA 80 N -2.47 2.46 -0.00 0.00 0.00 -1.00 -4.90 120.51 114.59 2k2p n ALA 80 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k2p n ALA 80 Cb 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 0.93 0.07 3.39 0.00 0.00 -0.57 -5.04 105.19 103.97 2k2p n GLY 81 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.02 3.11 -0.40 1.61 1.51 -0.96 -4.95 117.35 115.25 2k2p s TYR 82 Ca 0.00 -0.85 -0.29 0.00 -1.01 0.00 0.00 57.07 54.92 2k2p s TYR 82 Cb 0.00 -3.61 0.02 0.00 -0.11 0.00 0.00 41.96 38.26 2k2p s TYR 82 CO 0.00 -1.05 1.17 0.95 -1.11 0.00 0.00 175.55 175.51 2k2p s THR 83 N 2.27 4.27 -1.79 -0.71 -4.23 -1.26 -2.64 115.64 111.54 2k2p s THR 83 Ca 0.10 1.37 0.26 0.00 -1.18 0.00 0.00 61.69 62.24 2k2p s THR 83 Cb -0.23 -4.45 0.65 0.00 1.34 0.00 0.00 72.50 69.81 2k2p s THR 83 CO 0.08 -0.74 1.92 -0.81 -0.54 0.00 0.00 174.62 174.52 2k2p n PRO 84 N 7.48 0.67 0.00 3.99 -0.04 -1.26 -4.72 135.00 141.11 2k2p n PRO 84 Ca 0.13 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2k2p n PRO 84 Cb 0.48 -1.50 0.39 0.00 -0.04 0.00 0.00 33.50 32.82 2k2p n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55