#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 -1.63 3.42 0.00 0.00 -1.26 -4.94 105.19 100.78 2k2p n GLY 23 Ca 0.00 -1.38 -0.44 0.00 0.00 0.00 0.00 46.02 44.21 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 -2.12 5.38 -0.42 0.99 1.43 -0.43 -4.92 118.68 118.58 2k2p s LEU 24 Ca 0.00 -1.13 -0.20 0.00 -1.03 0.00 0.00 54.13 51.77 2k2p s LEU 24 Cb 0.00 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 44.04 2k2p s LEU 24 CO 0.00 -0.59 0.63 -0.94 0.23 0.00 0.00 176.35 175.68 2k2p s SER 25 N 2.25 6.33 -0.44 2.29 1.04 -1.26 -1.16 113.70 122.74 2k2p s SER 25 Ca 0.05 -0.29 -0.11 0.00 0.48 0.00 0.00 55.95 56.08 2k2p s SER 25 Cb -0.22 -2.31 0.08 0.00 0.10 0.00 0.00 66.02 63.66 2k2p s SER 25 CO 0.08 -0.73 0.31 -0.36 0.98 0.00 0.00 173.24 173.52 2k2p s PHE 26 N 2.75 3.30 -0.89 5.02 0.08 -0.82 -4.99 117.98 122.44 2k2p s PHE 26 Ca 0.22 -1.30 -0.24 0.00 0.12 0.00 0.00 56.93 55.73 2k2p s PHE 26 Cb -0.14 -3.03 0.05 0.00 -0.57 0.00 0.00 43.02 39.33 2k2p s PHE 26 CO 0.18 -0.83 1.32 -1.58 -0.10 0.00 0.00 175.22 174.21 2k2p s HIS 27 N 1.51 2.52 -0.61 0.36 5.65 -1.26 -1.26 115.29 122.20 2k2p s HIS 27 Ca 0.03 -0.61 -0.22 0.00 0.25 0.00 0.00 55.06 54.51 2k2p s HIS 27 Cb -0.23 -4.60 0.06 0.00 -1.18 0.00 0.00 32.58 26.63 2k2p s HIS 27 CO 0.04 -1.92 0.90 0.08 -0.65 0.00 0.00 174.74 173.20 2k2p s VAL 28 N 4.92 4.43 0.13 0.89 1.01 0.13 -4.81 120.40 127.11 2k2p s VAL 28 Ca 0.39 -0.22 0.27 0.00 0.00 0.00 0.00 61.98 62.42 2k2p s VAL 28 Cb -0.05 -4.59 0.29 0.00 0.00 0.00 0.00 36.38 32.03 2k2p s VAL 28 CO 0.00 -1.26 1.89 -0.33 0.00 0.00 0.00 175.10 175.39 2k2p h GLU 29 N 9.40 0.00 0.00 2.72 5.08 -1.81 -2.36 114.58 127.61 2k2p h GLU 29 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2k2p h GLU 29 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k2p h GLU 29 CO 1.12 0.15 0.00 -3.47 -1.00 0.00 0.00 179.01 175.81 2k2p n ASP 30 N -3.31 0.63 -4.67 1.42 2.03 -1.26 -4.90 116.55 106.48 2k2p n ASP 30 Ca 0.00 0.60 -0.43 0.00 0.52 0.00 0.00 54.79 55.48 2k2p n ASP 30 Cb 0.38 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.00 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 -2.13 2.73 -2.35 -0.67 1.56 -0.89 -4.97 117.12 110.41 2k2p n MET 31 Ca 0.04 1.00 -0.27 0.00 -0.27 0.00 0.00 57.70 58.19 2k2p n MET 31 Cb 0.33 -2.91 0.03 0.00 2.15 0.00 0.00 33.22 32.81 2k2p n MET 31 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 2k2p s THR 32 N 3.73 3.95 0.94 1.12 -1.32 -1.26 -4.95 115.64 117.85 2k2p s THR 32 Ca 0.87 0.16 -0.16 0.00 -1.21 0.00 0.00 61.69 61.35 2k2p s THR 32 Cb -0.50 -3.57 0.24 0.00 -1.51 0.00 0.00 72.50 67.17 2k2p s THR 32 CO 0.42 -0.61 0.73 0.00 -2.21 0.00 0.00 174.62 172.95 2k2p h GLY 34 N -2.36 0.00 0.77 0.00 0.00 -1.96 -1.45 103.07 98.07 2k2p h GLY 34 Ca -0.29 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2k2p h GLY 34 CO 0.18 0.00 0.45 0.45 0.00 0.00 0.00 176.54 177.62 2k2p h HIS 35 N 0.00 0.84 0.00 5.60 3.86 -2.04 -3.29 115.15 120.12 2k2p h HIS 35 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2k2p h HIS 35 Cb 0.25 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2k2p h HIS 35 CO 0.00 0.44 0.00 0.00 0.86 0.00 0.00 177.93 179.23 2k2p h ALA 37 N 0.00 1.56 -0.05 0.00 0.00 -1.35 -2.24 119.26 117.17 2k2p h ALA 37 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2k2p h ALA 37 Cb 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k2p h ALA 37 CO 0.00 0.32 -0.30 0.78 0.00 0.00 0.00 179.25 180.05 2k2p h GLY 38 N 0.73 0.11 1.06 0.00 0.00 -1.83 -1.87 103.07 101.28 2k2p h GLY 38 Ca 0.02 -0.08 -0.13 0.00 0.00 0.00 0.00 47.33 47.13 2k2p h GLY 38 CO 0.03 0.07 -0.28 -2.08 0.00 0.00 0.00 176.54 174.28 2k2p h VAL 39 N 0.09 1.28 -0.91 4.60 2.07 -1.72 -2.05 116.25 119.62 2k2p h VAL 39 Ca 0.01 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.13 2k2p h VAL 39 Cb 0.58 1.35 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 2k2p h VAL 39 CO 0.04 0.48 0.58 0.40 0.02 0.00 0.00 177.57 179.10 2k2p h ILE 40 N 0.68 1.12 0.87 4.57 2.04 -1.23 -1.67 117.51 123.90 2k2p h ILE 40 Ca 0.07 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2k2p h ILE 40 Cb 0.86 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2k2p h ILE 40 CO 0.08 0.20 -0.42 0.11 0.00 0.00 0.00 178.15 178.12 2k2p h LYS 41 N 1.11 -1.12 -0.06 2.37 1.57 -1.23 -3.21 116.57 116.00 2k2p h LYS 41 Ca 0.37 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2k2p h LYS 41 Cb 0.05 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2k2p h LYS 41 CO -0.13 -0.74 0.04 0.78 -0.57 0.00 0.00 179.45 178.82 2k2p h GLY 42 N -1.21 0.09 0.86 3.86 0.00 -1.22 -1.53 103.07 103.91 2k2p h GLY 42 Ca -0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2k2p h GLY 42 CO 0.20 0.03 -0.17 0.00 0.00 0.00 0.00 176.54 176.59 2k2p h ALA 43 N 1.96 -0.39 -0.14 3.60 0.00 -1.33 -2.46 119.26 120.51 2k2p h ALA 43 Ca 0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k2p h ALA 43 Cb -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2k2p h ALA 43 CO -0.00 -0.74 -0.12 0.82 0.00 0.00 0.00 179.25 179.21 2k2p h ILE 44 N -0.41 1.34 -0.34 0.00 2.04 -1.38 -3.09 117.51 115.66 2k2p h ILE 44 Ca -0.02 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2k2p h ILE 44 Cb 0.36 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 2k2p h ILE 44 CO -0.00 0.36 0.19 -0.33 0.00 0.00 0.00 178.15 178.37 2k2p h GLU 45 N -0.04 0.48 0.00 2.37 5.08 -1.35 -0.73 114.58 120.39 2k2p h GLU 45 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k2p h GLU 45 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k2p h GLU 45 CO 0.03 0.39 -0.26 1.63 -1.00 0.00 0.00 179.01 179.80 2k2p n LYS 46 N -4.78 0.26 -0.10 2.33 4.01 -0.93 -2.74 118.16 116.22 2k2p n LYS 46 Ca -0.01 0.16 -0.20 0.00 -0.51 0.00 0.00 58.31 57.75 2k2p n LYS 46 Cb 0.07 -1.75 -0.12 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 1.13 -3.51 -0.18 2.02 -1.47 -3.44 112.91 107.47 2k2p h THR 47 Ca 0.00 -2.22 -0.69 0.00 0.77 0.00 0.00 66.41 64.27 2k2p h THR 47 Cb 0.73 2.51 -0.35 0.00 -1.74 0.00 0.00 68.15 69.30 2k2p h THR 47 CO 0.00 0.39 -0.51 -0.69 0.37 0.00 0.00 175.52 175.07 2k2p s VAL 48 N -2.33 3.31 0.34 3.16 1.01 -0.29 -5.10 120.40 120.50 2k2p s VAL 48 Ca -0.26 -2.40 -0.29 0.00 0.00 0.00 0.00 61.98 59.03 2k2p s VAL 48 Cb 0.04 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 2k2p s VAL 48 CO 0.62 -0.74 1.33 -2.16 0.00 0.00 0.00 175.10 174.14 2k2p s PRO 49 N 0.71 4.31 0.00 2.72 0.04 -1.11 -3.01 135.00 138.66 2k2p s PRO 49 Ca 0.11 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2k2p s PRO 49 Cb -0.22 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2k2p s PRO 49 CO -0.04 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2k2p n GLY 50 N 0.75 0.87 3.58 0.56 0.00 -1.26 -5.03 105.19 104.66 2k2p n GLY 50 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.25 2.71 -0.70 4.61 0.00 -1.16 -4.44 121.76 120.53 2k2p s ALA 51 Ca 0.00 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.39 2k2p s ALA 51 Cb 0.00 -4.10 0.05 0.00 0.00 0.00 0.00 23.12 19.07 2k2p s ALA 51 CO 0.00 -2.99 1.13 0.00 0.00 0.00 0.00 175.76 173.90 2k2p s ALA 52 N 6.90 2.92 0.06 0.00 0.00 -0.46 -4.67 121.76 126.52 2k2p s ALA 52 Ca 0.65 -1.60 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 2k2p s ALA 52 Cb -0.15 -4.07 -0.06 0.00 0.00 0.00 0.00 23.12 18.84 2k2p s ALA 52 CO 0.28 -3.05 0.74 0.14 0.00 0.00 0.00 175.76 173.87 2k2p s VAL 53 N 4.94 4.69 -0.39 0.00 -7.23 -1.25 -1.13 120.40 120.03 2k2p s VAL 53 Ca 0.29 1.58 0.02 0.00 -1.81 0.00 0.00 61.98 62.06 2k2p s VAL 53 Cb -0.12 -4.09 0.11 0.00 0.56 0.00 0.00 36.38 32.85 2k2p s VAL 53 CO 0.13 0.41 0.15 -2.28 -0.31 0.00 0.00 175.10 173.19 2k2p s HIS 54 N -0.31 2.57 -0.38 2.82 2.46 0.25 -4.93 115.29 117.78 2k2p s HIS 54 Ca 0.37 -2.50 -0.15 0.00 0.47 0.00 0.00 55.06 53.24 2k2p s HIS 54 Cb -0.21 -2.27 0.00 0.00 -0.13 0.00 0.00 32.58 29.98 2k2p s HIS 54 CO 0.23 -0.85 0.33 0.00 -2.47 0.00 0.00 174.74 171.98 2k2p s ALA 55 N 0.76 3.48 -0.33 1.58 0.00 -1.26 -1.31 121.76 124.68 2k2p s ALA 55 Ca 0.13 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.61 2k2p s ALA 55 Cb -0.21 -2.85 0.06 0.00 0.00 0.00 0.00 23.12 20.12 2k2p s ALA 55 CO -0.09 -1.25 0.07 0.34 0.00 0.00 0.00 175.76 174.83 2k2p s ASP 56 N 1.73 5.12 0.40 0.00 -1.08 -0.78 -5.00 116.67 117.06 2k2p s ASP 56 Ca 0.09 -1.34 0.14 0.00 -0.52 0.00 0.00 52.55 50.92 2k2p s ASP 56 Cb -0.17 -1.79 0.99 0.00 -1.46 0.00 0.00 42.92 40.48 2k2p s ASP 56 CO 0.11 -0.33 1.86 -0.65 0.52 0.00 0.00 175.17 176.68 2k2p h PRO 57 N 8.10 0.49 0.02 4.34 0.11 -1.89 0.26 132.00 143.42 2k2p h PRO 57 Ca -0.21 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.66 2k2p h PRO 57 Cb 1.07 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 2k2p h PRO 57 CO 0.59 0.32 -0.98 0.00 -0.21 0.00 0.00 178.00 177.72 2k2p h ALA 58 N 1.62 0.40 0.00 -0.75 0.00 -1.96 -3.27 119.26 115.29 2k2p h ALA 58 Ca 0.45 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2k2p h ALA 58 Cb 0.98 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2k2p h ALA 58 CO -0.19 1.10 -1.15 0.43 0.00 0.00 0.00 179.25 179.44 2k2p n SER 59 N -3.48 0.74 -3.59 0.00 7.64 -1.02 -4.99 113.62 108.92 2k2p n SER 59 Ca -0.02 0.29 -0.21 0.00 1.01 0.00 0.00 58.87 59.93 2k2p n SER 59 Cb 0.90 0.63 0.07 0.00 -1.01 0.00 0.00 64.21 64.79 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 -2.64 -6.50 -3.75 1.43 3.00 0.88 -4.90 116.66 104.18 2k2p n ARG 60 Ca -0.01 0.76 -0.14 0.00 -0.01 0.00 0.00 57.85 58.45 2k2p n ARG 60 Cb 0.57 -5.68 -0.15 0.00 0.00 0.00 0.00 32.46 27.20 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 -3.41 -0.05 -0.38 0.55 2.01 -1.19 -0.69 115.64 112.47 2k2p s THR 61 Ca 0.24 0.20 -0.07 0.00 0.31 0.00 0.00 61.69 62.37 2k2p s THR 61 Cb -0.11 -0.18 0.07 0.00 0.01 0.00 0.00 72.50 72.28 2k2p s THR 61 CO 0.76 0.08 0.19 -0.69 -0.69 0.00 0.00 174.62 174.27 2k2p s VAL 62 N 1.15 3.92 -0.29 3.82 1.01 -0.39 -1.86 120.40 127.76 2k2p s VAL 62 Ca -0.09 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.40 2k2p s VAL 62 Cb -0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2k2p s VAL 62 CO -0.05 -0.39 0.29 -0.69 0.00 0.00 0.00 175.10 174.27 2k2p s VAL 63 N 1.38 5.23 -0.31 2.92 1.01 -0.43 -1.95 120.40 128.27 2k2p s VAL 63 Ca 0.02 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.17 2k2p s VAL 63 Cb -0.21 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2k2p s VAL 63 CO 0.02 0.13 0.11 0.68 0.00 0.00 0.00 175.10 176.04 2k2p s VAL 64 N 1.91 4.19 0.32 2.92 -7.23 -0.31 -0.58 120.40 121.62 2k2p s VAL 64 Ca 0.11 -0.64 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 2k2p s VAL 64 Cb -0.16 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 2k2p s VAL 64 CO 0.11 0.05 0.48 -0.83 -0.31 0.00 0.00 175.10 174.59 2k2p s GLY 65 N 1.53 1.35 0.00 2.32 0.00 -0.28 -1.32 107.32 110.93 2k2p s GLY 65 Ca 0.03 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2k2p s GLY 65 CO 0.04 -1.08 0.00 0.61 0.00 0.00 0.00 173.10 172.67 2k2p n GLY 66 N -1.66 1.85 3.19 0.20 0.00 -1.26 -1.35 105.19 106.16 2k2p n GLY 66 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.42 1.10 -0.09 1.61 -7.23 -1.26 -4.90 120.40 106.21 2k2p s VAL 67 Ca 0.00 -1.51 0.13 0.00 -1.81 0.00 0.00 61.98 58.80 2k2p s VAL 67 Cb 0.00 -1.26 0.20 0.00 0.56 0.00 0.00 36.38 35.88 2k2p s VAL 67 CO 0.00 -0.38 1.10 -0.24 -0.31 0.00 0.00 175.10 175.27 2k2p n SER 68 N 0.87 1.68 -3.83 4.85 2.88 -1.26 -4.64 113.62 114.17 2k2p n SER 68 Ca -0.18 -2.76 -0.42 0.00 -1.33 0.00 0.00 58.87 54.18 2k2p n SER 68 Cb 0.56 -0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.67 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 -1.02 6.49 -0.10 -3.46 9.92 -1.26 -4.84 116.55 122.28 2k2p n ASP 69 Ca 0.11 -3.36 -0.10 0.00 -0.53 0.00 0.00 54.79 50.91 2k2p n ASP 69 Cb 0.65 -1.31 -0.02 0.00 -0.64 0.00 0.00 41.12 39.80 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 5.16 0.42 -0.68 2.24 0.00 -2.00 -1.30 119.26 123.10 2k2p h ALA 70 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2k2p h ALA 70 Cb 0.52 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 2k2p h ALA 70 CO 1.40 0.01 0.34 0.00 0.00 0.00 0.00 179.25 181.00 2k2p h ALA 71 N 0.98 0.87 -0.31 0.00 0.00 -2.00 -2.60 119.26 116.20 2k2p h ALA 71 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k2p h ALA 71 Cb 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2k2p h ALA 71 CO -0.01 0.42 0.00 0.45 0.00 0.00 0.00 179.25 180.12 2k2p h HIS 72 N 0.94 0.59 -0.87 0.00 -0.00 -1.88 -2.28 115.15 111.66 2k2p h HIS 72 Ca 0.24 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2k2p h HIS 72 Cb 0.09 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 27.31 2k2p h HIS 72 CO 0.00 0.67 0.51 0.82 -0.00 0.00 0.00 177.93 179.94 2k2p h ILE 73 N 0.34 1.24 -0.60 2.45 1.08 -1.20 -2.14 117.51 118.69 2k2p h ILE 73 Ca 0.09 -0.55 -0.04 0.00 -0.39 0.00 0.00 64.86 63.97 2k2p h ILE 73 Cb 0.43 0.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.19 2k2p h ILE 73 CO 0.02 0.26 0.19 0.00 -0.69 0.00 0.00 178.15 177.93 2k2p h ALA 74 N 1.28 1.22 -0.25 1.87 0.00 -1.30 -2.29 119.26 119.80 2k2p h ALA 74 Ca 0.31 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2k2p h ALA 74 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2k2p h ALA 74 CO -0.06 0.55 -0.23 0.93 0.00 0.00 0.00 179.25 180.44 2k2p h GLU 75 N 0.87 0.48 0.23 0.00 5.08 -0.91 -2.84 114.58 117.48 2k2p h GLU 75 Ca 0.20 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2k2p h GLU 75 Cb 0.24 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k2p h GLU 75 CO -0.01 0.68 -0.11 0.82 -1.00 0.00 0.00 179.01 179.39 2k2p h ILE 76 N 0.42 0.81 -0.48 3.13 2.04 -0.87 -1.81 117.51 120.75 2k2p h ILE 76 Ca 0.06 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 2k2p h ILE 76 Cb 0.64 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 2k2p h ILE 76 CO 0.05 0.16 0.10 -0.29 0.00 0.00 0.00 178.15 178.17 2k2p h ILE 77 N -0.75 1.21 0.00 -0.67 2.10 -1.51 -0.98 117.51 116.92 2k2p h ILE 77 Ca -0.03 -0.79 -0.14 0.00 1.08 0.00 0.00 64.86 64.98 2k2p h ILE 77 Cb 0.50 0.74 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 2k2p h ILE 77 CO 0.05 0.29 -0.68 0.00 -1.08 0.00 0.00 178.15 176.73 2k2p h THR 78 N 0.72 1.44 0.00 2.19 1.03 -1.31 -1.92 112.91 115.05 2k2p h THR 78 Ca 0.16 -2.36 -0.03 0.00 -0.01 0.00 0.00 66.41 64.17 2k2p h THR 78 Cb 0.29 2.29 -0.00 0.00 -1.07 0.00 0.00 68.15 69.66 2k2p h THR 78 CO 0.00 0.66 -0.15 0.00 -0.01 0.00 0.00 175.52 176.02 2k2p h ALA 79 N 1.32 1.00 0.00 0.00 0.00 -0.60 -1.76 119.26 119.22 2k2p h ALA 79 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k2p h ALA 79 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2k2p h ALA 79 CO 0.09 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2k2p n ALA 80 N -2.18 2.37 -0.17 0.00 0.00 -0.44 -4.93 120.51 115.17 2k2p n ALA 80 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2k2p n ALA 80 Cb 0.41 -1.48 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 1.43 1.17 2.87 0.00 0.00 -0.66 -5.08 105.19 104.91 2k2p n GLY 81 Ca 0.09 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 2.24 -0.27 1.61 2.02 -0.75 -5.01 117.35 115.20 2k2p s TYR 82 Ca 0.00 -1.82 -0.29 0.00 -0.37 0.00 0.00 57.07 54.59 2k2p s TYR 82 Cb 0.00 -1.74 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 2k2p s TYR 82 CO 0.00 -0.81 1.29 0.95 -1.57 0.00 0.00 175.55 175.41 2k2p s THR 83 N 1.44 4.18 -1.12 -0.71 -4.23 -1.26 -2.77 115.64 111.17 2k2p s THR 83 Ca 0.01 1.35 0.27 0.00 -1.18 0.00 0.00 61.69 62.14 2k2p s THR 83 Cb -0.18 -4.13 0.29 0.00 1.34 0.00 0.00 72.50 69.82 2k2p s THR 83 CO -0.12 -0.40 1.87 -0.81 -0.54 0.00 0.00 174.62 174.62 2k2p n PRO 84 N 7.16 0.11 0.00 3.99 -0.04 -1.26 -4.38 135.00 140.57 2k2p n PRO 84 Ca 0.15 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 2k2p n PRO 84 Cb 0.46 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.52 2k2p n PRO 84 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85