#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 1.63 -0.55 0.00 0.00 -1.26 -5.01 107.32 102.13 2k2p s GLY 23 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 44.72 44.12 2k2p s GLY 23 CO 0.00 0.05 1.17 1.08 0.00 0.00 0.00 173.10 175.40 2k2p s LEU 24 N -5.36 3.51 -0.19 0.66 1.43 -0.65 -4.84 118.68 113.25 2k2p s LEU 24 Ca 0.58 0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 53.80 2k2p s LEU 24 Cb -0.11 -3.27 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2k2p s LEU 24 CO 0.52 -1.41 0.08 -0.44 0.23 0.00 0.00 176.35 175.33 2k2p s SER 25 N 2.82 5.80 -0.18 2.29 0.01 -1.26 -1.50 113.70 121.68 2k2p s SER 25 Ca 0.44 0.13 -0.00 0.00 1.31 0.00 0.00 55.95 57.83 2k2p s SER 25 Cb -0.07 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.20 2k2p s SER 25 CO 0.27 0.18 -0.06 -0.36 0.41 0.00 0.00 173.24 173.69 2k2p s PHE 26 N 0.35 1.82 -0.43 2.43 0.08 -0.85 -4.99 117.98 116.39 2k2p s PHE 26 Ca 0.05 -1.19 -0.28 0.00 0.12 0.00 0.00 56.93 55.62 2k2p s PHE 26 Cb -0.12 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2k2p s PHE 26 CO -0.01 -0.65 1.05 -1.01 -0.10 0.00 0.00 175.22 174.51 2k2p s HIS 27 N 1.59 2.94 -0.45 0.36 3.76 -1.26 -1.12 115.29 121.10 2k2p s HIS 27 Ca -0.00 0.74 -0.08 0.00 -0.15 0.00 0.00 55.06 55.57 2k2p s HIS 27 Cb -0.16 -4.09 0.11 0.00 1.11 0.00 0.00 32.58 29.55 2k2p s HIS 27 CO -0.08 -1.08 0.31 0.08 -0.85 0.00 0.00 174.74 173.12 2k2p s VAL 28 N 4.03 4.05 0.22 -0.90 1.01 -0.51 -4.66 120.40 123.64 2k2p s VAL 28 Ca 0.44 -1.79 0.28 0.00 0.00 0.00 0.00 61.98 60.91 2k2p s VAL 28 Cb -0.09 -3.66 0.29 0.00 0.00 0.00 0.00 36.38 32.92 2k2p s VAL 28 CO 0.26 -0.73 1.94 -0.33 0.00 0.00 0.00 175.10 176.24 2k2p h GLU 29 N 8.38 0.00 0.00 2.72 3.07 -1.85 -2.71 114.58 124.19 2k2p h GLU 29 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 2k2p h GLU 29 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2k2p h GLU 29 CO 0.82 0.14 0.00 -0.44 -1.40 0.00 0.00 179.01 178.13 2k2p h ASP 30 N 0.00 0.00 -3.47 1.42 5.19 -1.91 -3.43 116.42 114.21 2k2p h ASP 30 Ca -0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 2k2p h ASP 30 Cb 0.56 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.04 2k2p h ASP 30 CO 0.02 0.00 0.25 -0.32 -3.12 0.00 0.00 179.24 176.07 2k2p s MET 31 N -3.45 4.57 -0.46 3.56 0.00 -1.02 -5.01 119.30 117.49 2k2p s MET 31 Ca 0.04 1.23 0.02 0.00 0.00 0.00 0.00 55.69 56.98 2k2p s MET 31 Cb 0.08 -3.38 0.12 0.00 0.00 0.00 0.00 34.83 31.64 2k2p s MET 31 CO 0.58 0.21 0.21 0.95 0.00 0.00 0.00 175.02 176.97 2k2p s THR 32 N 0.13 2.76 0.00 10.11 -4.23 -1.26 -4.95 115.64 118.20 2k2p s THR 32 Ca 0.43 -2.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.19 2k2p s THR 32 Cb -0.21 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2k2p s THR 32 CO 0.26 -0.73 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 2k2p h GLY 34 N 0.00 0.00 0.79 0.00 0.00 -1.93 -1.22 103.07 100.70 2k2p h GLY 34 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 2k2p h GLY 34 CO 0.00 0.00 0.57 0.84 0.00 0.00 0.00 176.54 177.95 2k2p h HIS 35 N 0.00 0.95 0.00 5.60 -0.00 -1.95 -2.98 115.15 116.77 2k2p h HIS 35 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2k2p h HIS 35 Cb 0.11 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2k2p h HIS 35 CO 0.00 0.46 -1.70 0.00 -0.00 0.00 0.00 177.93 176.68 2k2p h ALA 37 N 1.66 1.10 0.08 0.00 0.00 -1.07 -1.20 119.26 119.83 2k2p h ALA 37 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k2p h ALA 37 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k2p h ALA 37 CO 0.00 0.12 -0.04 0.78 0.00 0.00 0.00 179.25 180.12 2k2p h GLY 38 N 0.80 -0.11 1.66 0.00 0.00 -1.83 -2.11 103.07 101.48 2k2p h GLY 38 Ca 0.36 0.04 -0.20 0.00 0.00 0.00 0.00 47.33 47.53 2k2p h GLY 38 CO -0.21 -0.04 -0.86 -0.39 0.00 0.00 0.00 176.54 175.04 2k2p h VAL 39 N -0.19 1.43 -0.03 4.60 -1.51 -1.83 -2.22 116.25 116.49 2k2p h VAL 39 Ca -0.01 -2.43 -0.20 0.00 -1.23 0.00 0.00 66.70 62.83 2k2p h VAL 39 Cb 0.16 2.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.67 2k2p h VAL 39 CO 0.02 0.72 -0.84 -0.29 -1.23 0.00 0.00 177.57 175.95 2k2p h ILE 40 N 0.19 1.41 -0.06 7.19 2.10 -1.22 0.22 117.51 127.33 2k2p h ILE 40 Ca -0.05 -2.34 -0.05 0.00 1.08 0.00 0.00 64.86 63.51 2k2p h ILE 40 Cb 1.47 2.29 0.00 0.00 -1.09 0.00 0.00 36.82 39.49 2k2p h ILE 40 CO 0.14 0.70 -0.14 0.11 -1.08 0.00 0.00 178.15 177.87 2k2p h LYS 41 N 0.23 0.20 -0.00 2.19 1.57 -1.47 -3.28 116.57 116.01 2k2p h LYS 41 Ca -0.05 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 2k2p h LYS 41 Cb 1.44 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 2k2p h LYS 41 CO 0.14 0.74 -0.12 0.78 -0.57 0.00 0.00 179.45 180.42 2k2p h GLY 42 N -0.30 0.00 1.00 3.86 0.00 -1.35 -0.91 103.07 105.38 2k2p h GLY 42 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2k2p h GLY 42 CO 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.34 2k2p h ALA 43 N 1.88 -0.63 -0.05 3.60 0.00 -1.01 -2.71 119.26 120.33 2k2p h ALA 43 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2k2p h ALA 43 Cb 0.22 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k2p h ALA 43 CO 0.02 -0.86 -0.32 0.82 0.00 0.00 0.00 179.25 178.90 2k2p h ILE 44 N -0.63 1.45 0.19 0.00 2.04 -1.57 -3.22 117.51 115.76 2k2p h ILE 44 Ca -0.06 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 63.99 2k2p h ILE 44 Cb 0.49 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 2k2p h ILE 44 CO 0.10 0.51 -0.09 -0.08 0.00 0.00 0.00 178.15 178.59 2k2p h GLU 45 N -0.24 -0.24 0.00 2.37 4.81 -1.25 0.09 114.58 120.12 2k2p h GLU 45 Ca -0.03 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k2p h GLU 45 Cb 1.00 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.44 2k2p h GLU 45 CO 0.07 -0.16 0.00 1.63 -0.73 0.00 0.00 179.01 179.81 2k2p n LYS 46 N -5.20 0.19 0.02 1.92 4.01 -1.02 -2.85 118.16 115.23 2k2p n LYS 46 Ca -0.09 0.26 -0.21 0.00 -0.51 0.00 0.00 58.31 57.76 2k2p n LYS 46 Cb 0.13 -1.77 -0.14 0.00 -0.51 0.00 0.00 35.03 32.73 2k2p n LYS 46 CO 0.00 0.00 0.00 1.15 -1.11 0.00 0.00 177.40 177.44 2k2p h THR 47 N 0.00 0.72 -3.18 -0.18 2.02 -1.51 -3.43 112.91 107.35 2k2p h THR 47 Ca 0.00 -2.41 -0.63 0.00 0.77 0.00 0.00 66.41 64.14 2k2p h THR 47 Cb 0.55 2.57 -0.41 0.00 -1.74 0.00 0.00 68.15 69.12 2k2p h THR 47 CO 0.00 0.87 -0.68 -0.69 0.37 0.00 0.00 175.52 175.39 2k2p s VAL 48 N -2.57 2.02 -0.13 3.16 1.01 -0.00 -5.09 120.40 118.79 2k2p s VAL 48 Ca -0.19 -2.98 -0.29 0.00 0.00 0.00 0.00 61.98 58.52 2k2p s VAL 48 Cb 0.06 -2.40 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 2k2p s VAL 48 CO 0.79 -0.85 2.14 -2.84 0.00 0.00 0.00 175.10 174.34 2k2p s PRO 49 N -0.01 3.47 0.00 2.72 0.02 -1.15 -2.13 135.00 137.92 2k2p s PRO 49 Ca 0.18 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.42 2k2p s PRO 49 Cb -0.24 -4.30 0.00 0.00 0.02 0.00 0.00 34.50 29.97 2k2p s PRO 49 CO -0.00 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.35 2k2p n GLY 50 N 5.35 1.75 3.58 0.52 0.00 -1.26 -5.08 105.19 110.05 2k2p n GLY 50 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.82 2.95 -0.71 4.61 0.00 -0.91 -4.52 121.76 121.37 2k2p s ALA 51 Ca 0.00 -0.62 -0.27 0.00 0.00 0.00 0.00 51.96 51.07 2k2p s ALA 51 Cb 0.00 -4.03 0.01 0.00 0.00 0.00 0.00 23.12 19.10 2k2p s ALA 51 CO 0.00 -2.68 1.50 0.00 0.00 0.00 0.00 175.76 174.58 2k2p s ALA 52 N 5.40 2.53 -0.03 0.00 0.00 -0.69 -4.67 121.76 124.30 2k2p s ALA 52 Ca 0.50 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.08 2k2p s ALA 52 Cb -0.10 -4.29 -0.04 0.00 0.00 0.00 0.00 23.12 18.69 2k2p s ALA 52 CO 0.27 -3.54 0.71 0.14 0.00 0.00 0.00 175.76 173.34 2k2p s VAL 53 N 6.96 4.95 -0.30 0.00 -7.23 -1.26 -1.82 120.40 121.70 2k2p s VAL 53 Ca 0.47 1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 62.09 2k2p s VAL 53 Cb -0.09 -4.05 0.10 0.00 0.56 0.00 0.00 36.38 32.90 2k2p s VAL 53 CO 0.16 0.30 0.12 -2.28 -0.31 0.00 0.00 175.10 173.09 2k2p s HIS 54 N 0.47 0.93 -0.36 2.82 2.46 -0.08 -4.97 115.29 116.57 2k2p s HIS 54 Ca 0.37 -1.28 -0.16 0.00 0.47 0.00 0.00 55.06 54.46 2k2p s HIS 54 Cb -0.18 -1.25 -0.01 0.00 -0.13 0.00 0.00 32.58 31.01 2k2p s HIS 54 CO 0.19 -0.85 0.39 0.00 -2.47 0.00 0.00 174.74 172.01 2k2p s ALA 55 N 1.83 3.48 -0.25 1.58 0.00 -1.26 -1.33 121.76 125.81 2k2p s ALA 55 Ca 0.10 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 2k2p s ALA 55 Cb -0.17 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 2k2p s ALA 55 CO -0.30 -1.18 0.44 0.34 0.00 0.00 0.00 175.76 175.06 2k2p s ASP 56 N 1.75 6.36 0.31 0.00 -1.08 -0.69 -4.94 116.67 118.38 2k2p s ASP 56 Ca 0.12 0.43 0.01 0.00 -0.52 0.00 0.00 52.55 52.60 2k2p s ASP 56 Cb -0.17 -2.24 0.56 0.00 -1.46 0.00 0.00 42.92 39.61 2k2p s ASP 56 CO 0.12 -0.21 1.92 -0.65 0.52 0.00 0.00 175.17 176.87 2k2p h PRO 57 N 7.97 0.96 0.06 4.34 0.11 -1.92 0.30 132.00 143.83 2k2p h PRO 57 Ca -0.31 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 2k2p h PRO 57 Cb 1.15 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2k2p h PRO 57 CO 0.69 0.64 -1.08 0.00 -0.21 0.00 0.00 178.00 178.03 2k2p h ALA 58 N 1.52 0.25 0.00 -0.75 0.00 -1.97 -3.34 119.26 114.97 2k2p h ALA 58 Ca 0.37 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2k2p h ALA 58 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k2p h ALA 58 CO -0.14 0.88 -1.81 0.43 0.00 0.00 0.00 179.25 178.61 2k2p n SER 59 N -3.65 0.20 -2.77 0.00 7.64 -1.19 -4.99 113.62 108.87 2k2p n SER 59 Ca -0.08 0.08 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2k2p n SER 59 Cb 0.92 1.56 0.01 0.00 -1.01 0.00 0.00 64.21 65.68 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 -2.40 -3.20 -3.86 1.43 3.00 0.11 -4.78 116.66 106.96 2k2p n ARG 60 Ca -0.06 0.83 -0.36 0.00 -0.01 0.00 0.00 57.85 58.25 2k2p n ARG 60 Cb 0.62 -5.56 -0.13 0.00 0.00 0.00 0.00 32.46 27.38 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 -3.00 3.63 -0.43 0.55 2.01 -1.21 -1.43 115.64 115.76 2k2p s THR 61 Ca 0.17 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.54 2k2p s THR 61 Cb -0.08 -2.71 0.05 0.00 0.01 0.00 0.00 72.50 69.78 2k2p s THR 61 CO 0.20 0.34 0.32 -0.69 -0.69 0.00 0.00 174.62 174.11 2k2p s VAL 62 N 1.50 5.02 -0.13 3.82 1.01 -0.28 -1.70 120.40 129.65 2k2p s VAL 62 Ca 0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 2k2p s VAL 62 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2k2p s VAL 62 CO -0.01 -0.44 0.03 -0.69 0.00 0.00 0.00 175.10 173.98 2k2p s VAL 63 N 1.61 4.53 -0.15 2.92 1.01 -0.45 -2.00 120.40 127.88 2k2p s VAL 63 Ca 0.04 -0.15 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2k2p s VAL 63 Cb -0.22 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.21 2k2p s VAL 63 CO 0.07 0.55 -0.19 0.68 0.00 0.00 0.00 175.10 176.21 2k2p s VAL 64 N -0.32 1.88 0.19 2.92 -7.23 -0.57 -0.90 120.40 116.37 2k2p s VAL 64 Ca 0.07 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 2k2p s VAL 64 Cb -0.12 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 2k2p s VAL 64 CO 0.02 0.51 0.32 -0.83 -0.31 0.00 0.00 175.10 174.81 2k2p s GLY 65 N 1.08 1.53 0.00 2.32 0.00 -0.76 -1.63 107.32 109.86 2k2p s GLY 65 Ca -0.02 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2k2p s GLY 65 CO -0.06 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 172.56 2k2p n GLY 66 N -0.87 2.94 3.48 0.20 0.00 -1.26 -1.71 105.19 107.98 2k2p n GLY 66 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.98 2.89 -0.01 1.61 -7.23 -1.26 -4.98 120.40 109.44 2k2p s VAL 67 Ca 0.00 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.94 2k2p s VAL 67 Cb 0.00 -2.26 -0.06 0.00 0.56 0.00 0.00 36.38 34.62 2k2p s VAL 67 CO 0.00 0.25 0.08 -1.20 -0.31 0.00 0.00 175.10 173.92 2k2p n SER 68 N 1.27 4.14 -4.57 4.85 7.64 -1.26 -4.56 113.62 121.12 2k2p n SER 68 Ca -0.16 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.36 2k2p n SER 68 Cb 0.52 1.15 -0.03 0.00 -1.01 0.00 0.00 64.21 64.84 2k2p n SER 68 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k2p s ASP 69 N -2.48 6.02 0.48 6.43 1.01 -1.26 -4.79 116.67 122.08 2k2p s ASP 69 Ca -0.01 -1.52 0.17 0.00 0.71 0.00 0.00 52.55 51.90 2k2p s ASP 69 Cb 0.02 -2.57 1.16 0.00 1.01 0.00 0.00 42.92 42.54 2k2p s ASP 69 CO 0.16 -1.97 2.04 0.00 0.21 0.00 0.00 175.17 175.61 2k2p h ALA 70 N 9.65 1.68 0.12 5.23 0.00 -1.99 -2.59 119.26 131.37 2k2p h ALA 70 Ca 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k2p h ALA 70 Cb 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2k2p h ALA 70 CO 1.35 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 180.71 2k2p h ALA 71 N 1.87 -0.17 -0.16 0.00 0.00 -1.99 -0.77 119.26 118.04 2k2p h ALA 71 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k2p h ALA 71 Cb 0.25 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k2p h ALA 71 CO 0.02 -0.54 0.07 0.45 0.00 0.00 0.00 179.25 179.25 2k2p h HIS 72 N -0.28 0.24 -0.87 0.00 3.86 -1.93 -2.03 115.15 114.15 2k2p h HIS 72 Ca -0.02 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2k2p h HIS 72 Cb 0.23 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 2k2p h HIS 72 CO -0.03 0.31 0.50 0.82 0.86 0.00 0.00 177.93 180.39 2k2p h ILE 73 N 0.11 1.25 -0.87 2.45 1.08 -1.50 -2.48 117.51 117.54 2k2p h ILE 73 Ca 0.05 -0.58 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2k2p h ILE 73 Cb 0.16 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 33.92 2k2p h ILE 73 CO -0.00 0.27 0.47 0.00 -0.69 0.00 0.00 178.15 178.19 2k2p h ALA 74 N 1.27 1.18 -0.80 1.87 0.00 -0.93 -1.78 119.26 120.07 2k2p h ALA 74 Ca 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2k2p h ALA 74 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2k2p h ALA 74 CO -0.05 0.65 0.36 0.93 0.00 0.00 0.00 179.25 181.14 2k2p h GLU 75 N 1.23 1.17 0.24 0.00 4.39 -0.93 -1.31 114.58 119.36 2k2p h GLU 75 Ca 0.31 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2k2p h GLU 75 Cb 0.05 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 2k2p h GLU 75 CO -0.05 0.91 -0.11 0.82 -1.16 0.00 0.00 179.01 179.42 2k2p h ILE 76 N 1.15 0.81 0.00 3.13 2.04 -1.12 -2.27 117.51 121.26 2k2p h ILE 76 Ca 0.27 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 2k2p h ILE 76 Cb 0.15 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 2k2p h ILE 76 CO -0.03 0.15 -0.47 -0.29 0.00 0.00 0.00 178.15 177.51 2k2p h ILE 77 N -0.72 1.25 0.00 -0.67 2.10 -1.33 -2.32 117.51 115.83 2k2p h ILE 77 Ca -0.03 -1.66 -0.19 0.00 1.08 0.00 0.00 64.86 64.06 2k2p h ILE 77 Cb 0.49 1.91 -0.02 0.00 -1.09 0.00 0.00 36.82 38.12 2k2p h ILE 77 CO 0.05 0.46 -0.85 0.00 -1.08 0.00 0.00 178.15 176.74 2k2p h THR 78 N 0.00 1.53 0.00 2.19 1.03 -1.32 -3.14 112.91 113.20 2k2p h THR 78 Ca -0.00 -2.67 -0.01 0.00 -0.01 0.00 0.00 66.41 63.71 2k2p h THR 78 Cb 0.88 2.47 -0.00 0.00 -1.07 0.00 0.00 68.15 70.43 2k2p h THR 78 CO 0.06 0.77 -0.06 0.00 -0.01 0.00 0.00 175.52 176.28 2k2p h ALA 79 N 1.06 1.04 0.00 0.00 0.00 -0.87 -2.27 119.26 118.22 2k2p h ALA 79 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k2p h ALA 79 Cb 1.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2k2p h ALA 79 CO 0.12 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.45 2k2p n ALA 80 N -2.14 2.20 0.00 0.00 0.00 -0.98 -4.85 120.51 114.74 2k2p n ALA 80 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k2p n ALA 80 Cb 0.30 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.50 1.37 3.73 0.00 0.00 -0.87 -5.05 105.19 104.88 2k2p n GLY 81 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 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 2.06 -0.43 1.61 2.02 -1.12 -5.04 117.35 114.46 2k2p s TYR 82 Ca 0.00 -0.86 0.05 0.00 -0.37 0.00 0.00 57.07 55.89 2k2p s TYR 82 Cb 0.00 -1.68 0.17 0.00 -0.40 0.00 0.00 41.96 40.05 2k2p s TYR 82 CO 0.00 0.26 0.46 0.99 -1.57 0.00 0.00 175.55 175.69 2k2p s THR 83 N -2.82 -0.27 -0.01 -0.71 2.01 -1.26 -4.30 115.64 108.27 2k2p s THR 83 Ca 0.16 -1.59 -0.05 0.00 0.31 0.00 0.00 61.69 60.53 2k2p s THR 83 Cb 0.04 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2k2p s THR 83 CO 0.09 -0.66 0.53 -0.65 -0.69 0.00 0.00 174.62 173.23 2k2p h PRO 84 N 5.99 -0.16 0.00 4.92 0.11 -1.91 -3.44 132.00 137.50 2k2p h PRO 84 Ca 0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2k2p h PRO 84 Cb 1.02 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2k2p h PRO 84 CO 0.21 -0.11 0.00 -1.91 -0.21 0.00 0.00 178.00 175.98