#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 -1.10 3.61 0.00 0.00 -1.26 -4.74 105.19 101.69 2k2p n GLY 23 Ca 0.00 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.22 4.11 -0.41 0.99 1.43 -0.73 -4.75 118.68 116.10 2k2p s LEU 24 Ca 0.00 0.56 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 2k2p s LEU 24 Cb 0.00 -3.00 0.02 0.00 0.03 0.00 0.00 46.19 43.24 2k2p s LEU 24 CO 0.00 -0.59 0.62 -0.94 0.23 0.00 0.00 176.35 175.67 2k2p s SER 25 N 1.65 6.33 -0.13 2.29 1.04 -1.26 -1.88 113.70 121.74 2k2p s SER 25 Ca 0.30 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2k2p s SER 25 Cb -0.14 -2.31 -0.03 0.00 0.10 0.00 0.00 66.02 63.64 2k2p s SER 25 CO 0.13 -0.71 -0.04 -0.36 0.98 0.00 0.00 173.24 173.24 2k2p s PHE 26 N 2.72 3.03 -0.03 5.02 0.40 -0.56 -4.98 117.98 123.58 2k2p s PHE 26 Ca 0.22 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2k2p s PHE 26 Cb -0.14 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.50 2k2p s PHE 26 CO 0.17 0.12 -0.18 -3.38 0.70 0.00 0.00 175.22 172.66 2k2p s HIS 27 N -0.08 1.69 -0.19 0.36 -3.43 -1.26 -0.84 115.29 111.53 2k2p s HIS 27 Ca 0.02 -0.42 -0.00 0.00 -0.80 0.00 0.00 55.06 53.85 2k2p s HIS 27 Cb -0.13 -1.12 0.01 0.00 -1.43 0.00 0.00 32.58 29.91 2k2p s HIS 27 CO 0.03 -0.11 -0.15 0.08 -2.00 0.00 0.00 174.74 172.58 2k2p s VAL 28 N -0.14 2.46 0.12 -5.38 1.01 -1.24 -2.12 120.40 115.11 2k2p s VAL 28 Ca 0.00 -0.80 0.29 0.00 0.00 0.00 0.00 61.98 61.47 2k2p s VAL 28 Cb -0.10 -2.07 0.32 0.00 0.00 0.00 0.00 36.38 34.53 2k2p s VAL 28 CO 0.01 0.50 1.91 -0.33 0.00 0.00 0.00 175.10 177.20 2k2p h GLU 29 N 7.99 0.00 -0.00 2.72 4.39 -1.90 -2.33 114.58 125.45 2k2p h GLU 29 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 2k2p h GLU 29 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2k2p h GLU 29 CO 0.63 0.11 -0.41 -3.47 -1.16 0.00 0.00 179.01 174.70 2k2p n ASP 30 N -3.25 0.61 -4.54 1.42 2.03 -1.26 -4.95 116.55 106.61 2k2p n ASP 30 Ca 0.00 -0.39 -0.43 0.00 0.52 0.00 0.00 54.79 54.49 2k2p n ASP 30 Cb 0.36 0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 40.90 2k2p n ASP 30 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2k2p n MET 31 N -1.28 1.34 -1.31 -0.67 1.56 -0.88 -4.98 117.12 110.91 2k2p n MET 31 Ca 0.07 0.28 -0.30 0.00 -0.27 0.00 0.00 57.70 57.48 2k2p n MET 31 Cb 0.34 -2.97 0.10 0.00 2.15 0.00 0.00 33.22 32.84 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 9.17 3.15 0.00 1.12 -4.23 -1.26 -4.93 115.64 118.66 2k2p s THR 32 Ca 1.05 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 61.93 2k2p s THR 32 Cb -0.50 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2k2p s THR 32 CO 0.37 -0.49 0.00 0.00 -0.54 0.00 0.00 174.62 173.97 2k2p h GLY 34 N 0.00 0.10 1.99 0.00 0.00 -1.98 -0.18 103.07 103.01 2k2p h GLY 34 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2k2p h GLY 34 CO 0.00 0.08 -0.13 0.84 0.00 0.00 0.00 176.54 177.33 2k2p h HIS 35 N 0.08 0.01 0.00 5.60 -0.00 -2.01 -2.56 115.15 116.27 2k2p h HIS 35 Ca 0.01 -0.00 -0.26 0.00 -0.00 0.00 0.00 60.37 60.12 2k2p h HIS 35 Cb 0.67 -0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.03 2k2p h HIS 35 CO 0.00 0.14 -1.97 0.00 -0.00 0.00 0.00 177.93 176.11 2k2p h ALA 37 N 0.61 0.04 -0.81 0.00 0.00 -0.95 -2.62 119.26 115.53 2k2p h ALA 37 Ca -0.38 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.53 2k2p h ALA 37 Cb 1.83 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.56 2k2p h ALA 37 CO 0.01 -0.38 0.53 0.78 0.00 0.00 0.00 179.25 180.18 2k2p h GLY 38 N -0.09 1.10 0.42 0.00 0.00 -1.71 -0.49 103.07 102.30 2k2p h GLY 38 Ca 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2k2p h GLY 38 CO -0.00 0.22 -0.03 -2.08 0.00 0.00 0.00 176.54 174.65 2k2p h VAL 39 N 0.82 1.28 0.30 4.60 2.07 -1.80 -2.54 116.25 120.97 2k2p h VAL 39 Ca 0.36 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2k2p h VAL 39 Cb 0.34 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2k2p h VAL 39 CO -0.14 0.31 -0.15 0.40 0.02 0.00 0.00 177.57 178.02 2k2p h ILE 40 N -0.65 0.72 -0.39 4.57 2.04 -1.18 -1.15 117.51 121.47 2k2p h ILE 40 Ca -0.01 -0.44 0.03 0.00 1.00 0.00 0.00 64.86 65.45 2k2p h ILE 40 Cb 0.56 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2k2p h ILE 40 CO 0.01 0.09 0.19 0.11 0.00 0.00 0.00 178.15 178.55 2k2p h LYS 41 N -0.65 0.37 -0.58 2.37 1.57 -1.24 -2.15 116.57 116.25 2k2p h LYS 41 Ca -0.04 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2k2p h LYS 41 Cb 0.46 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2k2p h LYS 41 CO 0.07 0.24 0.25 0.78 -0.57 0.00 0.00 179.45 180.22 2k2p h GLY 42 N 0.38 0.90 0.63 3.86 0.00 -1.44 -1.23 103.07 106.17 2k2p h GLY 42 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2k2p h GLY 42 CO -0.12 0.42 -0.12 0.00 0.00 0.00 0.00 176.54 176.71 2k2p h ALA 43 N 1.44 -0.35 -0.39 3.60 0.00 -0.78 -2.76 119.26 120.03 2k2p h ALA 43 Ca 0.20 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k2p h ALA 43 Cb 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k2p h ALA 43 CO -0.02 -0.51 -0.09 0.82 0.00 0.00 0.00 179.25 179.45 2k2p h ILE 44 N -0.72 1.28 -0.23 0.00 2.04 -1.37 -2.32 117.51 116.18 2k2p h ILE 44 Ca -0.04 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 2k2p h ILE 44 Cb 0.49 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2k2p h ILE 44 CO 0.06 0.39 0.13 -0.08 0.00 0.00 0.00 178.15 178.65 2k2p h GLU 45 N 0.55 0.32 -0.12 2.37 4.81 -1.32 -0.64 114.58 120.54 2k2p h GLU 45 Ca 0.10 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 2k2p h GLU 45 Cb 0.60 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k2p h GLU 45 CO 0.04 0.28 -0.72 0.87 -0.73 0.00 0.00 179.01 178.74 2k2p h LYS 46 N 0.27 0.58 -0.13 1.92 6.56 -1.51 -3.28 116.57 120.98 2k2p h LYS 46 Ca 0.08 -0.45 -0.21 0.00 -1.06 0.00 0.00 60.65 59.01 2k2p h LYS 46 Cb 0.05 0.09 0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2k2p h LYS 46 CO -0.01 1.08 -0.72 1.15 -2.06 0.00 0.00 179.45 178.88 2k2p h THR 47 N 0.40 1.30 -3.58 -0.16 2.02 -1.38 -3.42 112.91 108.10 2k2p h THR 47 Ca -0.03 -1.95 -0.69 0.00 0.77 0.00 0.00 66.41 64.51 2k2p h THR 47 Cb 1.31 2.06 -0.34 0.00 -1.74 0.00 0.00 68.15 69.44 2k2p h THR 47 CO 0.14 0.61 -0.60 -0.69 0.37 0.00 0.00 175.52 175.34 2k2p s VAL 48 N -3.70 3.13 -0.41 3.16 1.01 -0.25 -5.07 120.40 118.27 2k2p s VAL 48 Ca -0.11 -1.90 -0.28 0.00 0.00 0.00 0.00 61.98 59.70 2k2p s VAL 48 Cb 0.08 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2k2p s VAL 48 CO 0.89 -0.53 1.84 -2.84 0.00 0.00 0.00 175.10 174.45 2k2p s PRO 49 N 1.15 3.11 0.00 2.72 0.02 -1.26 -2.85 135.00 137.90 2k2p s PRO 49 Ca 0.05 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.30 2k2p s PRO 49 Cb -0.22 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.05 2k2p s PRO 49 CO -0.04 -2.13 0.00 0.41 -0.33 0.00 0.00 177.00 174.92 2k2p n GLY 50 N 5.51 1.56 3.58 0.52 0.00 -1.26 -5.08 105.19 110.02 2k2p n GLY 50 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.98 2.86 -0.76 4.61 0.00 -1.13 -4.46 121.76 120.89 2k2p s ALA 51 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 51.96 51.21 2k2p s ALA 51 Cb 0.00 -4.06 0.04 0.00 0.00 0.00 0.00 23.12 19.10 2k2p s ALA 51 CO 0.00 -2.79 1.27 0.00 0.00 0.00 0.00 175.76 174.24 2k2p s ALA 52 N 6.01 2.77 0.01 0.00 0.00 -0.61 -4.67 121.76 125.27 2k2p s ALA 52 Ca 0.57 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 2k2p s ALA 52 Cb -0.12 -4.26 -0.05 0.00 0.00 0.00 0.00 23.12 18.69 2k2p s ALA 52 CO 0.28 -3.28 0.69 0.14 0.00 0.00 0.00 175.76 173.58 2k2p s VAL 53 N 5.54 4.83 -0.27 0.00 -7.23 -1.25 -1.72 120.40 120.31 2k2p s VAL 53 Ca 0.35 1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 61.95 2k2p s VAL 53 Cb -0.08 -4.04 0.11 0.00 0.56 0.00 0.00 36.38 32.93 2k2p s VAL 53 CO 0.12 0.37 0.19 -2.28 -0.31 0.00 0.00 175.10 173.19 2k2p s HIS 54 N -0.01 -0.00 -0.34 2.82 2.46 -0.55 -4.96 115.29 114.71 2k2p s HIS 54 Ca 0.36 -0.48 -0.21 0.00 0.47 0.00 0.00 55.06 55.20 2k2p s HIS 54 Cb -0.19 -0.68 -0.00 0.00 -0.13 0.00 0.00 32.58 31.57 2k2p s HIS 54 CO 0.20 -0.80 0.68 0.00 -2.47 0.00 0.00 174.74 172.35 2k2p s ALA 55 N 2.21 3.48 -0.36 1.58 0.00 -1.25 -2.02 121.76 125.40 2k2p s ALA 55 Ca 0.08 -0.70 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 2k2p s ALA 55 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k2p s ALA 55 CO -0.30 -1.26 0.59 0.34 0.00 0.00 0.00 175.76 175.13 2k2p s ASP 56 N 1.73 6.37 0.47 0.00 2.15 -0.97 -4.94 116.67 121.48 2k2p s ASP 56 Ca 0.27 0.02 0.29 0.00 0.43 0.00 0.00 52.55 53.56 2k2p s ASP 56 Cb -0.14 -2.30 1.35 0.00 -0.30 0.00 0.00 42.92 41.53 2k2p s ASP 56 CO 0.14 -0.57 1.75 1.55 -0.17 0.00 0.00 175.17 177.88 2k2p h PRO 57 N 8.50 0.17 0.09 4.34 0.13 -1.96 0.33 132.00 143.60 2k2p h PRO 57 Ca -0.27 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.67 2k2p h PRO 57 Cb 1.11 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.22 2k2p h PRO 57 CO 0.82 0.12 -0.75 0.00 -0.23 0.00 0.00 178.00 177.95 2k2p h ALA 58 N 1.51 -0.03 0.00 -0.56 0.00 -2.00 -3.38 119.26 114.80 2k2p h ALA 58 Ca 0.63 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2k2p h ALA 58 Cb 2.05 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.90 2k2p h ALA 58 CO -0.19 0.37 -1.53 0.45 0.00 0.00 0.00 179.25 178.36 2k2p n SER 59 N -4.15 0.58 -3.69 0.00 2.88 -1.01 -4.99 113.62 103.24 2k2p n SER 59 Ca -0.13 0.24 -0.25 0.00 -1.33 0.00 0.00 58.87 57.40 2k2p n SER 59 Cb 0.78 0.72 0.06 0.00 -0.75 0.00 0.00 64.21 65.02 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 -2.68 -6.99 -4.92 -1.46 5.12 0.11 -4.98 116.66 100.86 2k2p n ARG 60 Ca -0.08 0.75 -0.32 0.00 -1.93 0.00 0.00 57.85 56.26 2k2p n ARG 60 Cb 0.74 -5.73 -0.16 0.00 -1.16 0.00 0.00 32.46 26.14 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 -3.33 2.18 -0.46 0.55 2.01 -1.25 -3.72 115.64 111.62 2k2p s THR 61 Ca 0.54 -0.96 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 2k2p s THR 61 Cb -0.25 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.46 2k2p s THR 61 CO 0.77 0.55 0.39 -0.69 -0.69 0.00 0.00 174.62 174.95 2k2p s VAL 62 N 0.56 5.22 -0.07 3.82 1.01 -0.02 -2.30 120.40 128.62 2k2p s VAL 62 Ca -0.13 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 2k2p s VAL 62 Cb -0.17 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2k2p s VAL 62 CO 0.04 -0.54 0.38 0.68 0.00 0.00 0.00 175.10 175.65 2k2p s VAL 63 N 1.72 5.16 -0.27 2.92 -7.23 -0.85 -1.50 120.40 120.34 2k2p s VAL 63 Ca 0.05 0.75 0.03 0.00 -1.81 0.00 0.00 61.98 61.00 2k2p s VAL 63 Cb -0.23 -3.69 0.07 0.00 0.56 0.00 0.00 36.38 33.08 2k2p s VAL 63 CO 0.08 0.48 -0.07 0.68 -0.31 0.00 0.00 175.10 175.96 2k2p s VAL 64 N -0.33 2.09 0.28 1.32 -7.23 -0.79 -1.49 120.40 114.25 2k2p s VAL 64 Ca 0.22 -1.72 -0.08 0.00 -1.81 0.00 0.00 61.98 58.58 2k2p s VAL 64 Cb -0.15 -2.29 -0.06 0.00 0.56 0.00 0.00 36.38 34.43 2k2p s VAL 64 CO 0.10 -0.16 0.58 -0.83 -0.31 0.00 0.00 175.10 174.48 2k2p s GLY 65 N 1.10 2.08 0.00 2.32 0.00 -0.70 -1.77 107.32 110.35 2k2p s GLY 65 Ca -0.04 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.31 2k2p s GLY 65 CO -0.06 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.42 2k2p n GLY 66 N -0.60 3.12 3.59 0.20 0.00 -1.26 -1.58 105.19 108.67 2k2p n GLY 66 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.24 3.60 -0.23 1.61 -7.23 -1.26 -5.00 120.40 109.65 2k2p s VAL 67 Ca 0.00 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.31 2k2p s VAL 67 Cb 0.00 -2.60 0.08 0.00 0.56 0.00 0.00 36.38 34.42 2k2p s VAL 67 CO 0.00 0.32 1.06 -0.24 -0.31 0.00 0.00 175.10 175.94 2k2p n SER 68 N 1.34 2.23 -4.15 4.85 2.88 -1.26 -4.57 113.62 114.94 2k2p n SER 68 Ca -0.15 -2.00 -0.43 0.00 -1.33 0.00 0.00 58.87 54.96 2k2p n SER 68 Cb 0.52 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2k2p n SER 68 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k2p n ASP 69 N -0.25 4.92 -0.06 -3.46 9.92 -1.26 -4.83 116.55 121.53 2k2p n ASP 69 Ca 0.03 -3.00 -0.11 0.00 -0.53 0.00 0.00 54.79 51.18 2k2p n ASP 69 Cb 0.29 -1.58 -0.04 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 6.51 0.26 -0.76 2.24 0.00 -2.00 -1.99 119.26 123.52 2k2p h ALA 70 Ca 0.41 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2k2p h ALA 70 Cb 0.75 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2k2p h ALA 70 CO 1.52 -0.12 0.28 0.00 0.00 0.00 0.00 179.25 180.93 2k2p h ALA 71 N 0.90 1.05 0.15 0.00 0.00 -1.99 -2.02 119.26 117.34 2k2p h ALA 71 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k2p h ALA 71 Cb 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k2p h ALA 71 CO -0.00 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 181.08 2k2p h HIS 72 N 1.12 -0.18 -0.81 0.00 6.17 -1.93 -2.15 115.15 117.36 2k2p h HIS 72 Ca 0.25 -0.00 -0.00 0.00 0.71 0.00 0.00 60.37 61.32 2k2p h HIS 72 Cb 0.25 0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.20 2k2p h HIS 72 CO 0.02 0.02 0.49 0.82 0.71 0.00 0.00 177.93 179.99 2k2p h ILE 73 N -0.35 1.22 -0.65 6.26 1.08 -1.33 -2.36 117.51 121.39 2k2p h ILE 73 Ca -0.02 -0.49 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 2k2p h ILE 73 Cb 0.28 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 2k2p h ILE 73 CO 0.03 0.24 0.38 0.00 -0.69 0.00 0.00 178.15 178.11 2k2p h ALA 74 N 1.42 1.45 -0.20 1.87 0.00 -1.14 -1.80 119.26 120.87 2k2p h ALA 74 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2k2p h ALA 74 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2k2p h ALA 74 CO -0.06 0.47 -0.41 0.93 0.00 0.00 0.00 179.25 180.19 2k2p h GLU 75 N 0.89 0.46 -0.04 0.00 4.39 -0.86 -2.54 114.58 116.88 2k2p h GLU 75 Ca 0.23 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2k2p h GLU 75 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k2p h GLU 75 CO -0.04 0.79 -0.09 0.82 -1.16 0.00 0.00 179.01 179.33 2k2p h ILE 76 N 0.38 1.44 -0.43 3.13 2.04 -1.11 -1.76 117.51 121.19 2k2p h ILE 76 Ca 0.03 -1.44 -0.09 0.00 1.00 0.00 0.00 64.86 64.36 2k2p h ILE 76 Cb 0.88 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 2k2p h ILE 76 CO 0.07 0.39 -0.11 -0.29 0.00 0.00 0.00 178.15 178.21 2k2p h ILE 77 N -0.39 1.26 0.00 -0.67 2.10 -1.44 -2.46 117.51 115.91 2k2p h ILE 77 Ca -0.00 -1.18 -0.11 0.00 1.08 0.00 0.00 64.86 64.65 2k2p h ILE 77 Cb 0.69 1.05 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 2k2p h ILE 77 CO 0.02 0.40 -0.54 0.00 -1.08 0.00 0.00 178.15 176.96 2k2p h THR 78 N 0.71 1.35 0.00 2.19 1.03 -1.42 -2.50 112.91 114.27 2k2p h THR 78 Ca 0.12 -1.86 -0.05 0.00 -0.01 0.00 0.00 66.41 64.61 2k2p h THR 78 Cb 0.60 2.02 -0.01 0.00 -1.07 0.00 0.00 68.15 69.69 2k2p h THR 78 CO 0.04 0.53 -0.23 0.00 -0.01 0.00 0.00 175.52 175.85 2k2p h ALA 79 N 1.46 1.05 0.00 0.00 0.00 -1.02 -2.51 119.26 118.24 2k2p h ALA 79 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k2p h ALA 79 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2k2p h ALA 79 CO 0.07 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.60 2k2p n ALA 80 N -2.24 2.15 -0.04 0.00 0.00 -0.95 -4.88 120.51 114.56 2k2p n ALA 80 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k2p n ALA 80 Cb 0.41 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.66 0.58 3.04 0.00 0.00 -0.95 -4.95 105.19 103.56 2k2p n GLY 81 Ca 0.10 0.00 -0.31 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 -2.06 3.48 -0.31 1.61 1.51 -1.18 -5.04 117.35 115.36 2k2p s TYR 82 Ca 0.00 -2.66 -0.24 0.00 -1.01 0.00 0.00 57.07 53.17 2k2p s TYR 82 Cb 0.00 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.42 2k2p s TYR 82 CO 0.00 -0.91 0.80 -0.08 -1.11 0.00 0.00 175.55 174.25 2k2p s THR 83 N 1.01 4.77 0.41 -0.71 -1.32 -1.26 -3.21 115.64 115.33 2k2p s THR 83 Ca 0.02 1.19 -0.22 0.00 -1.21 0.00 0.00 61.69 61.47 2k2p s THR 83 Cb -0.19 -4.16 -0.11 0.00 -1.51 0.00 0.00 72.50 66.52 2k2p s THR 83 CO -0.07 -0.27 0.95 -2.16 -2.21 0.00 0.00 174.62 170.86 2k2p s PRO 84 N 3.00 4.30 0.00 7.08 0.04 -1.26 -4.83 135.00 143.33 2k2p s PRO 84 Ca 0.33 1.18 0.32 0.00 0.04 0.00 0.00 61.00 62.86 2k2p s PRO 84 Cb -0.14 -2.32 1.90 0.00 0.04 0.00 0.00 34.50 33.98 2k2p s PRO 84 CO 0.13 0.03 2.22 0.39 0.04 0.00 0.00 177.00 179.82