#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 7.06 3.59 0.00 0.00 -1.26 -4.90 105.19 109.68 2k2p n GLY 23 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 3.51 -0.40 0.99 1.98 -0.49 -4.81 118.68 119.46 2k2p s LEU 24 Ca 0.00 0.23 -0.19 0.00 -2.89 0.00 0.00 54.13 51.28 2k2p s LEU 24 Cb 0.00 -3.30 0.01 0.00 0.66 0.00 0.00 46.19 43.56 2k2p s LEU 24 CO 0.00 -1.41 0.56 -0.94 -1.89 0.00 0.00 176.35 172.67 2k2p s SER 25 N 2.79 6.30 -0.09 3.68 1.04 -1.26 -1.38 113.70 124.78 2k2p s SER 25 Ca 0.45 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 56.54 2k2p s SER 25 Cb -0.07 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 2k2p s SER 25 CO 0.28 -0.63 0.16 -0.36 0.98 0.00 0.00 173.24 173.67 2k2p s PHE 26 N 2.53 3.60 -0.38 5.02 0.40 -0.36 -4.98 117.98 123.81 2k2p s PHE 26 Ca 0.19 0.52 -0.01 0.00 -0.60 0.00 0.00 56.93 57.03 2k2p s PHE 26 Cb -0.15 -1.93 0.10 0.00 0.51 0.00 0.00 43.02 41.55 2k2p s PHE 26 CO 0.16 0.72 0.14 -1.01 0.70 0.00 0.00 175.22 175.92 2k2p s HIS 27 N -1.09 3.62 -0.45 0.36 3.76 -1.04 -0.64 115.29 119.81 2k2p s HIS 27 Ca 0.18 -2.57 -0.02 0.00 -0.15 0.00 0.00 55.06 52.49 2k2p s HIS 27 Cb -0.12 -3.05 0.12 0.00 1.11 0.00 0.00 32.58 30.63 2k2p s HIS 27 CO 0.07 -0.96 0.25 0.54 -0.85 0.00 0.00 174.74 173.80 2k2p s VAL 28 N 1.07 3.32 -0.16 -0.90 0.11 -0.11 -4.08 120.40 119.65 2k2p s VAL 28 Ca 0.08 -2.29 0.29 0.00 -2.93 0.00 0.00 61.98 57.14 2k2p s VAL 28 Cb -0.21 -3.26 0.33 0.00 -1.53 0.00 0.00 36.38 31.71 2k2p s VAL 28 CO -0.05 -0.73 1.86 -0.08 -3.33 0.00 0.00 175.10 172.77 2k2p h GLU 29 N 7.78 0.00 0.00 1.54 4.81 -1.79 -2.73 114.58 124.19 2k2p h GLU 29 Ca -0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k2p h GLU 29 Cb 1.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2k2p h GLU 29 CO 0.70 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.73 2k2p n ASP 30 N -2.74 0.37 -4.55 1.04 9.92 -1.26 -4.51 116.55 114.81 2k2p n ASP 30 Ca 0.01 0.57 -0.41 0.00 -0.53 0.00 0.00 54.79 54.43 2k2p n ASP 30 Cb 0.29 -0.66 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 2k2p n ASP 30 CO 0.00 0.00 0.00 -0.32 0.13 0.00 0.00 177.20 177.01 2k2p s MET 31 N -3.13 3.23 -0.55 -1.24 1.75 -1.03 -4.98 119.30 113.35 2k2p s MET 31 Ca 0.08 -0.34 -0.19 0.00 -1.25 0.00 0.00 55.69 53.98 2k2p s MET 31 Cb 0.11 -4.30 0.08 0.00 2.84 0.00 0.00 34.83 33.56 2k2p s MET 31 CO 0.41 -2.15 0.68 0.95 -0.65 0.00 0.00 175.02 174.26 2k2p s THR 32 N 5.62 4.82 0.24 10.11 -4.23 -1.26 -4.87 115.64 126.07 2k2p s THR 32 Ca 0.36 -0.72 0.00 0.00 -1.18 0.00 0.00 61.69 60.15 2k2p s THR 32 Cb -0.07 -4.41 0.00 0.00 1.34 0.00 0.00 72.50 69.36 2k2p s THR 32 CO 0.12 -0.99 0.00 0.00 -0.54 0.00 0.00 174.62 173.22 2k2p h GLY 34 N -0.91 0.00 1.00 0.00 0.00 -1.93 -1.71 103.07 99.51 2k2p h GLY 34 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k2p h GLY 34 CO 0.01 0.00 0.44 0.84 0.00 0.00 0.00 176.54 177.83 2k2p h HIS 35 N 0.00 0.91 0.00 5.60 -0.00 -2.01 -1.96 115.15 117.69 2k2p h HIS 35 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 2k2p h HIS 35 Cb 0.06 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 2k2p h HIS 35 CO 0.00 0.60 -0.91 0.00 -0.00 0.00 0.00 177.93 177.62 2k2p h ALA 37 N 1.84 0.26 0.00 0.00 0.00 -1.11 -3.07 119.26 117.19 2k2p h ALA 37 Ca -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 2k2p h ALA 37 Cb 1.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k2p h ALA 37 CO 0.01 -0.03 -0.13 0.78 0.00 0.00 0.00 179.25 179.88 2k2p h GLY 38 N 0.11 0.00 0.95 0.00 0.00 -1.51 -1.13 103.07 101.48 2k2p h GLY 38 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2k2p h GLY 38 CO 0.01 0.00 0.16 -2.08 0.00 0.00 0.00 176.54 174.63 2k2p h VAL 39 N 0.00 1.20 -0.33 4.60 2.07 -1.68 -2.12 116.25 119.99 2k2p h VAL 39 Ca -0.00 -0.62 -0.17 0.00 0.82 0.00 0.00 66.70 66.73 2k2p h VAL 39 Cb 0.24 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2k2p h VAL 39 CO 0.02 0.22 -0.46 0.40 0.02 0.00 0.00 177.57 177.77 2k2p h ILE 40 N 0.52 1.28 -0.06 4.57 2.04 -1.30 -2.28 117.51 122.28 2k2p h ILE 40 Ca 0.14 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.37 2k2p h ILE 40 Cb 0.20 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2k2p h ILE 40 CO -0.01 0.54 -0.00 0.11 0.00 0.00 0.00 178.15 178.79 2k2p h LYS 41 N 0.69 0.02 -0.72 2.37 1.57 -1.16 -1.81 116.57 117.53 2k2p h LYS 41 Ca 0.04 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2k2p h LYS 41 Cb 1.05 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 2k2p h LYS 41 CO 0.10 0.01 0.30 0.78 -0.57 0.00 0.00 179.45 180.08 2k2p h GLY 42 N 0.02 1.14 0.89 3.86 0.00 -1.41 -1.84 103.07 105.73 2k2p h GLY 42 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2k2p h GLY 42 CO -0.05 0.56 -0.22 0.00 0.00 0.00 0.00 176.54 176.83 2k2p h ALA 43 N 1.29 -0.61 0.29 3.60 0.00 -1.00 -2.72 119.26 120.11 2k2p h ALA 43 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2k2p h ALA 43 Cb 0.17 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k2p h ALA 43 CO -0.02 -0.79 -0.14 0.82 0.00 0.00 0.00 179.25 179.12 2k2p h ILE 44 N -0.73 0.60 -0.92 0.00 2.04 -1.38 -3.21 117.51 113.92 2k2p h ILE 44 Ca -0.06 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.00 2k2p h ILE 44 Cb 0.53 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 2k2p h ILE 44 CO 0.10 0.13 0.60 -0.08 0.00 0.00 0.00 178.15 178.91 2k2p h GLU 45 N -0.89 1.21 -0.01 2.37 4.81 -1.43 -0.83 114.58 119.81 2k2p h GLU 45 Ca -0.04 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 58.96 2k2p h GLU 45 Cb 0.51 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 2k2p h GLU 45 CO 0.06 0.81 -0.73 0.87 -0.73 0.00 0.00 179.01 179.30 2k2p h LYS 46 N 1.24 0.07 -0.14 1.92 6.56 -1.63 -2.50 116.57 122.09 2k2p h LYS 46 Ca 0.33 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.70 2k2p h LYS 46 Cb -0.13 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.55 2k2p h LYS 46 CO -0.07 0.76 -0.53 1.15 -2.06 0.00 0.00 179.45 178.70 2k2p h THR 47 N 0.05 1.34 -2.86 -0.16 2.02 -1.41 -3.41 112.91 108.47 2k2p h THR 47 Ca -0.01 -1.81 -0.60 0.00 0.77 0.00 0.00 66.41 64.76 2k2p h THR 47 Cb 1.28 2.06 -0.40 0.00 -1.74 0.00 0.00 68.15 69.35 2k2p h THR 47 CO 0.10 0.55 -0.77 0.68 0.37 0.00 0.00 175.52 176.46 2k2p s VAL 48 N -3.79 1.24 0.33 3.16 -7.23 -0.37 -5.12 120.40 108.61 2k2p s VAL 48 Ca -0.12 -2.63 -0.29 0.00 -1.81 0.00 0.00 61.98 57.13 2k2p s VAL 48 Cb 0.07 -1.86 -0.12 0.00 0.56 0.00 0.00 36.38 35.03 2k2p s VAL 48 CO 0.84 -0.97 1.44 -2.65 -0.31 0.00 0.00 175.10 173.46 2k2p n PRO 49 N 3.35 2.42 0.00 4.82 -0.02 -0.95 -2.82 135.00 141.81 2k2p n PRO 49 Ca 0.13 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2k2p n PRO 49 Cb 0.37 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 1.20 2.52 3.59 -1.23 0.00 -1.26 -5.05 105.19 104.95 2k2p n GLY 50 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.39 2.94 -0.75 4.61 0.00 -1.13 -4.50 121.76 120.54 2k2p s ALA 51 Ca 0.00 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.18 2k2p s ALA 51 Cb 0.00 -4.03 0.04 0.00 0.00 0.00 0.00 23.12 19.13 2k2p s ALA 51 CO 0.00 -2.67 1.26 0.00 0.00 0.00 0.00 175.76 174.35 2k2p s ALA 52 N 5.57 2.78 -0.09 0.00 0.00 -0.46 -4.70 121.76 124.87 2k2p s ALA 52 Ca 0.53 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 50.79 2k2p s ALA 52 Cb -0.11 -4.24 -0.03 0.00 0.00 0.00 0.00 23.12 18.75 2k2p s ALA 52 CO 0.28 -3.26 0.72 0.14 0.00 0.00 0.00 175.76 173.64 2k2p s VAL 53 N 5.53 5.02 -0.34 0.00 -7.23 -1.26 -1.31 120.40 120.81 2k2p s VAL 53 Ca 0.34 1.47 0.01 0.00 -1.81 0.00 0.00 61.98 61.99 2k2p s VAL 53 Cb -0.08 -4.05 0.11 0.00 0.56 0.00 0.00 36.38 32.91 2k2p s VAL 53 CO 0.13 0.21 0.11 -2.28 -0.31 0.00 0.00 175.10 172.96 2k2p s HIS 54 N 1.08 2.38 -0.37 2.82 2.46 0.04 -4.95 115.29 118.75 2k2p s HIS 54 Ca 0.37 -2.24 -0.13 0.00 0.47 0.00 0.00 55.06 53.53 2k2p s HIS 54 Cb -0.17 -2.12 0.00 0.00 -0.13 0.00 0.00 32.58 30.16 2k2p s HIS 54 CO 0.17 -0.88 0.25 0.00 -2.47 0.00 0.00 174.74 171.81 2k2p s ALA 55 N 1.17 3.46 -0.33 1.58 0.00 -1.26 -0.95 121.76 125.43 2k2p s ALA 55 Ca 0.11 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.42 2k2p s ALA 55 Cb -0.19 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 2k2p s ALA 55 CO -0.16 -1.19 0.19 0.34 0.00 0.00 0.00 175.76 174.94 2k2p s ASP 56 N 1.68 5.76 0.37 0.00 -1.08 -0.49 -4.94 116.67 117.98 2k2p s ASP 56 Ca 0.05 -0.56 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 2k2p s ASP 56 Cb -0.18 -2.06 0.71 0.00 -1.46 0.00 0.00 42.92 39.93 2k2p s ASP 56 CO 0.10 -0.24 1.96 1.55 0.52 0.00 0.00 175.17 179.05 2k2p h PRO 57 N 8.42 0.55 0.00 4.34 0.13 -1.90 0.13 132.00 143.67 2k2p h PRO 57 Ca -0.31 -0.08 -0.11 0.00 -0.87 0.00 0.00 66.00 64.64 2k2p h PRO 57 Cb 1.14 -0.10 0.01 0.00 0.13 0.00 0.00 31.00 32.18 2k2p h PRO 57 CO 0.63 0.47 -0.41 0.00 -0.23 0.00 0.00 178.00 178.46 2k2p h ALA 58 N 1.61 0.05 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.07 2k2p h ALA 58 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2k2p h ALA 58 Cb 0.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k2p h ALA 58 CO -0.01 0.21 -0.77 1.03 0.00 0.00 0.00 179.25 179.70 2k2p h SER 59 N -0.34 0.00 -5.43 0.00 0.87 -1.99 -3.48 113.55 103.18 2k2p h SER 59 Ca -0.05 -0.15 -0.37 0.00 -1.23 0.00 0.00 61.79 59.99 2k2p h SER 59 Cb 1.16 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 63.25 2k2p h SER 59 CO 0.08 0.08 -0.62 0.54 -0.53 0.00 0.00 176.83 176.37 2k2p n ARG 60 N -2.32 -7.29 -3.97 2.24 3.00 0.46 -4.94 116.66 103.84 2k2p n ARG 60 Ca 0.02 0.77 -0.29 0.00 -0.01 0.00 0.00 57.85 58.34 2k2p n ARG 60 Cb 0.48 -5.62 -0.17 0.00 0.00 0.00 0.00 32.46 27.15 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 -3.29 1.39 -0.47 0.55 2.01 -1.15 -0.93 115.64 113.75 2k2p s THR 61 Ca 0.54 -0.59 -0.15 0.00 0.31 0.00 0.00 61.69 61.80 2k2p s THR 61 Cb -0.24 -1.37 0.07 0.00 0.01 0.00 0.00 72.50 70.97 2k2p s THR 61 CO 0.66 0.37 0.39 -0.69 -0.69 0.00 0.00 174.62 174.66 2k2p s VAL 62 N 1.55 5.24 -0.22 3.82 1.01 0.19 -1.39 120.40 130.60 2k2p s VAL 62 Ca 0.04 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 2k2p s VAL 62 Cb -0.13 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2k2p s VAL 62 CO -0.09 -0.55 0.14 -0.69 0.00 0.00 0.00 175.10 173.91 2k2p s VAL 63 N 1.65 5.36 -0.33 2.92 1.01 -0.13 -1.23 120.40 129.65 2k2p s VAL 63 Ca 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 2k2p s VAL 63 Cb -0.24 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.72 2k2p s VAL 63 CO 0.07 0.40 0.07 0.68 0.00 0.00 0.00 175.10 176.32 2k2p s VAL 64 N 0.69 3.53 0.34 2.92 -7.23 -0.48 -0.78 120.40 119.40 2k2p s VAL 64 Ca 0.08 -1.21 -0.09 0.00 -1.81 0.00 0.00 61.98 58.94 2k2p s VAL 64 Cb -0.12 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.75 2k2p s VAL 64 CO 0.01 -0.16 0.67 -0.83 -0.31 0.00 0.00 175.10 174.49 2k2p s GLY 65 N 1.36 1.98 0.00 2.32 0.00 -0.43 -1.40 107.32 111.15 2k2p s GLY 65 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2k2p s GLY 65 CO 0.02 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.58 2k2p n GLY 66 N -0.99 2.69 3.03 0.20 0.00 -1.26 -1.35 105.19 107.50 2k2p n GLY 66 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.17 0.92 -0.20 1.61 -7.23 -1.26 -4.95 120.40 107.12 2k2p s VAL 67 Ca 0.00 -0.44 0.15 0.00 -1.81 0.00 0.00 61.98 59.88 2k2p s VAL 67 Cb 0.00 -0.81 0.33 0.00 0.56 0.00 0.00 36.38 36.45 2k2p s VAL 67 CO 0.00 0.28 1.22 -1.20 -0.31 0.00 0.00 175.10 175.09 2k2p n SER 68 N 3.25 2.83 -4.33 4.85 7.64 -1.26 -4.05 113.62 122.55 2k2p n SER 68 Ca -0.18 -2.82 -0.43 0.00 1.01 0.00 0.00 58.87 56.45 2k2p n SER 68 Cb 0.54 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.85 4.64 -0.26 6.43 9.92 -1.26 -4.80 116.55 130.37 2k2p n ASP 69 Ca 0.15 -2.90 -0.05 0.00 -0.53 0.00 0.00 54.79 51.46 2k2p n ASP 69 Cb 0.65 -1.72 0.06 0.00 -0.64 0.00 0.00 41.12 39.47 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 7.10 0.91 -0.33 2.24 0.00 -2.00 -2.17 119.26 125.01 2k2p h ALA 70 Ca 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.33 2k2p h ALA 70 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k2p h ALA 70 CO 1.58 0.31 0.15 0.00 0.00 0.00 0.00 179.25 181.30 2k2p h ALA 71 N 1.27 0.43 0.44 0.00 0.00 -1.99 -1.78 119.26 117.62 2k2p h ALA 71 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k2p h ALA 71 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2k2p h ALA 71 CO -0.06 -0.00 -0.21 0.45 0.00 0.00 0.00 179.25 179.43 2k2p h HIS 72 N 0.39 -0.54 -0.76 0.00 -0.00 -1.91 -2.48 115.15 109.86 2k2p h HIS 72 Ca 0.11 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.41 2k2p h HIS 72 Cb 0.14 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.69 2k2p h HIS 72 CO -0.01 -0.28 0.24 0.82 -0.00 0.00 0.00 177.93 178.69 2k2p h ILE 73 N -0.69 1.26 -0.93 2.45 1.08 -1.44 -2.63 117.51 116.62 2k2p h ILE 73 Ca -0.06 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 2k2p h ILE 73 Cb 0.50 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 2k2p h ILE 73 CO 0.10 0.36 0.57 0.00 -0.69 0.00 0.00 178.15 178.49 2k2p h ALA 74 N 1.13 1.26 -0.81 1.87 0.00 -1.27 -1.73 119.26 119.71 2k2p h ALA 74 Ca 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2k2p h ALA 74 Cb 0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2k2p h ALA 74 CO -0.01 0.65 0.41 0.93 0.00 0.00 0.00 179.25 181.23 2k2p h GLU 75 N 1.27 1.15 0.11 0.00 5.08 -1.08 -2.17 114.58 118.94 2k2p h GLU 75 Ca 0.33 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2k2p h GLU 75 Cb -0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 28.96 2k2p h GLU 75 CO -0.06 0.87 -0.05 0.82 -1.00 0.00 0.00 179.01 179.58 2k2p h ILE 76 N 1.15 1.09 -0.08 3.13 2.04 -1.11 -2.11 117.51 121.62 2k2p h ILE 76 Ca 0.28 -0.92 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 2k2p h ILE 76 Cb 0.08 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2k2p h ILE 76 CO -0.04 0.22 -0.40 -0.29 0.00 0.00 0.00 178.15 177.64 2k2p h ILE 77 N -0.58 1.30 -0.01 -0.67 2.10 -1.37 -0.79 117.51 117.49 2k2p h ILE 77 Ca -0.01 -1.47 -0.16 0.00 1.08 0.00 0.00 64.86 64.29 2k2p h ILE 77 Cb 0.47 1.69 -0.02 0.00 -1.09 0.00 0.00 36.82 37.87 2k2p h ILE 77 CO 0.02 0.43 -0.75 0.00 -1.08 0.00 0.00 178.15 176.77 2k2p h THR 78 N 0.15 1.51 0.00 2.19 1.03 -1.27 -2.00 112.91 114.52 2k2p h THR 78 Ca 0.01 -2.51 -0.04 0.00 -0.01 0.00 0.00 66.41 63.87 2k2p h THR 78 Cb 0.78 2.36 -0.01 0.00 -1.07 0.00 0.00 68.15 70.21 2k2p h THR 78 CO 0.06 0.72 -0.18 0.00 -0.01 0.00 0.00 175.52 176.11 2k2p h ALA 79 N 1.20 1.00 0.00 0.00 0.00 -0.95 -2.53 119.26 117.98 2k2p h ALA 79 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k2p h ALA 79 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2k2p h ALA 79 CO 0.10 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2k2p h ALA 80 N 1.82 1.00 0.00 0.00 0.00 -0.78 -3.47 119.26 117.83 2k2p h ALA 80 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2p h ALA 80 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2k2p h ALA 80 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2k2p n GLY 81 N 0.66 1.22 3.06 0.00 0.00 -0.95 -5.05 105.19 104.13 2k2p n GLY 81 Ca 0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.43 -0.49 1.61 1.51 -0.79 -5.03 117.35 113.59 2k2p s TYR 82 Ca 0.00 -0.45 -0.22 0.00 -1.01 0.00 0.00 57.07 55.39 2k2p s TYR 82 Cb 0.00 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.88 2k2p s TYR 82 CO 0.00 -0.19 0.77 0.95 -1.11 0.00 0.00 175.55 175.97 2k2p s THR 83 N 0.33 4.65 -1.19 -0.71 -4.23 -1.26 -2.94 115.64 110.28 2k2p s THR 83 Ca -0.08 0.14 0.27 0.00 -1.18 0.00 0.00 61.69 60.84 2k2p s THR 83 Cb -0.13 -4.36 0.34 0.00 1.34 0.00 0.00 72.50 69.69 2k2p s THR 83 CO 0.02 -0.84 1.90 -0.81 -0.54 0.00 0.00 174.62 174.36 2k2p n PRO 84 N 6.75 0.17 0.00 3.99 -0.04 -1.26 -4.32 135.00 140.29 2k2p n PRO 84 Ca -0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2k2p n PRO 84 Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2k2p n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55