#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 1.29 3.60 0.00 0.00 -1.26 -5.02 105.19 103.80 2k2p n GLY 23 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 3.62 -0.45 0.99 1.43 0.01 -4.85 118.68 119.42 2k2p s LEU 24 Ca 0.00 0.46 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 2k2p s LEU 24 Cb 0.00 -3.53 0.03 0.00 0.03 0.00 0.00 46.19 42.72 2k2p s LEU 24 CO 0.00 -1.28 0.65 -0.94 0.23 0.00 0.00 176.35 175.01 2k2p s SER 25 N 2.56 6.30 -0.37 2.29 1.04 -1.26 -1.64 113.70 122.61 2k2p s SER 25 Ca 0.48 -0.45 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 2k2p s SER 25 Cb -0.07 -2.32 0.03 0.00 0.10 0.00 0.00 66.02 63.76 2k2p s SER 25 CO 0.32 -0.81 0.19 -0.36 0.98 0.00 0.00 173.24 173.56 2k2p s PHE 26 N 2.82 3.24 -0.93 5.02 0.08 -1.03 -5.00 117.98 122.19 2k2p s PHE 26 Ca 0.21 -1.02 -0.23 0.00 0.12 0.00 0.00 56.93 56.01 2k2p s PHE 26 Cb -0.15 -2.41 0.06 0.00 -0.57 0.00 0.00 43.02 39.95 2k2p s PHE 26 CO 0.18 -0.66 1.32 -1.01 -0.10 0.00 0.00 175.22 174.95 2k2p s HIS 27 N 1.53 2.61 -0.58 0.36 3.76 -1.26 -1.34 115.29 120.37 2k2p s HIS 27 Ca 0.02 -0.79 -0.26 0.00 -0.15 0.00 0.00 55.06 53.87 2k2p s HIS 27 Cb -0.19 -4.57 0.04 0.00 1.11 0.00 0.00 32.58 28.96 2k2p s HIS 27 CO 0.06 -1.85 1.07 0.08 -0.85 0.00 0.00 174.74 173.25 2k2p s VAL 28 N 4.59 4.19 -0.95 -0.90 1.01 -0.07 -4.43 120.40 123.83 2k2p s VAL 28 Ca 0.40 0.55 0.28 0.00 0.00 0.00 0.00 61.98 63.20 2k2p s VAL 28 Cb -0.04 -4.65 0.24 0.00 0.00 0.00 0.00 36.38 31.94 2k2p s VAL 28 CO -0.04 -1.26 1.87 -0.62 0.00 0.00 0.00 175.10 175.05 2k2p n GLU 29 N 8.00 0.04 0.00 2.72 1.02 -1.13 -2.29 120.64 129.00 2k2p n GLU 29 Ca 0.05 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 2k2p n GLU 29 Cb 0.48 -1.55 0.36 0.00 -0.02 0.00 0.00 31.44 30.71 2k2p n GLU 29 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2k2p n ASP 30 N -1.62 1.90 -4.75 1.62 9.92 -1.26 -4.97 116.55 117.39 2k2p n ASP 30 Ca 0.06 -1.58 -0.41 0.00 -0.53 0.00 0.00 54.79 52.34 2k2p n ASP 30 Cb 0.34 0.04 -0.04 0.00 -0.64 0.00 0.00 41.12 40.82 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 -2.08 4.56 0.33 -1.24 1.75 -0.97 -4.93 119.30 116.72 2k2p s MET 31 Ca 0.33 1.83 0.08 0.00 -1.25 0.00 0.00 55.69 56.68 2k2p s MET 31 Cb 0.20 -3.22 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 2k2p s MET 31 CO 0.36 0.06 0.17 -0.08 -0.65 0.00 0.00 175.02 174.88 2k2p s THR 32 N -0.57 3.25 1.25 10.11 -1.32 -1.26 -4.95 115.64 122.14 2k2p s THR 32 Ca 0.49 -1.62 -0.20 0.00 -1.21 0.00 0.00 61.69 59.15 2k2p s THR 32 Cb -0.32 -3.04 0.32 0.00 -1.51 0.00 0.00 72.50 67.95 2k2p s THR 32 CO 0.39 -0.20 0.72 0.00 -2.21 0.00 0.00 174.62 173.31 2k2p h GLY 34 N -3.23 0.00 2.00 0.00 0.00 -1.97 -2.53 103.07 97.34 2k2p h GLY 34 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k2p h GLY 34 CO 0.20 0.00 -0.02 0.45 0.00 0.00 0.00 176.54 177.17 2k2p h HIS 35 N 0.00 0.00 0.00 5.60 3.86 -2.05 -2.94 115.15 119.62 2k2p h HIS 35 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2k2p h HIS 35 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2k2p h HIS 35 CO 0.00 0.02 -0.37 0.00 0.86 0.00 0.00 177.93 178.44 2k2p h ALA 37 N 0.00 1.10 0.00 0.00 0.00 -1.40 -3.00 119.26 115.96 2k2p h ALA 37 Ca 0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2k2p h ALA 37 Cb 1.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k2p h ALA 37 CO 0.00 0.63 -0.14 0.78 0.00 0.00 0.00 179.25 180.52 2k2p h GLY 38 N 1.38 0.00 1.10 0.00 0.00 -1.90 -0.79 103.07 102.86 2k2p h GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.19 2k2p h GLY 38 CO 0.07 0.00 -0.34 -2.08 0.00 0.00 0.00 176.54 174.19 2k2p h VAL 39 N 0.00 1.27 -0.22 4.60 2.07 -1.91 -0.98 116.25 121.08 2k2p h VAL 39 Ca -0.00 -1.51 -0.19 0.00 0.82 0.00 0.00 66.70 65.82 2k2p h VAL 39 Cb 0.49 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 2k2p h VAL 39 CO 0.02 0.50 -0.61 0.40 0.02 0.00 0.00 177.57 177.91 2k2p h ILE 40 N 0.73 1.29 0.46 4.57 2.04 -1.45 -1.54 117.51 123.61 2k2p h ILE 40 Ca 0.07 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.10 2k2p h ILE 40 Cb 0.93 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 2k2p h ILE 40 CO 0.09 0.58 -0.24 0.11 0.00 0.00 0.00 178.15 178.69 2k2p h LYS 41 N 0.54 -0.62 -0.00 2.37 1.57 -1.23 -3.18 116.57 116.01 2k2p h LYS 41 Ca -0.01 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k2p h LYS 41 Cb 1.23 0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.68 2k2p h LYS 41 CO 0.13 -0.41 -0.03 0.78 -0.57 0.00 0.00 179.45 179.35 2k2p h GLY 42 N -0.64 0.01 0.55 3.86 0.00 -1.11 0.06 103.07 105.79 2k2p h GLY 42 Ca -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.29 2k2p h GLY 42 CO 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 176.54 176.41 2k2p h ALA 43 N 1.97 -0.33 0.22 3.60 0.00 -1.26 -2.62 119.26 120.84 2k2p h ALA 43 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k2p h ALA 43 Cb 0.05 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k2p h ALA 43 CO 0.00 -0.73 -0.11 0.82 0.00 0.00 0.00 179.25 179.23 2k2p h ILE 44 N -0.38 0.15 -0.59 0.00 2.04 -1.49 -3.34 117.51 113.90 2k2p h ILE 44 Ca 0.04 -0.86 0.12 0.00 1.00 0.00 0.00 64.86 65.17 2k2p h ILE 44 Cb 0.43 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.68 2k2p h ILE 44 CO -0.16 0.04 0.01 -0.08 0.00 0.00 0.00 178.15 177.96 2k2p h GLU 45 N -1.06 0.12 -0.33 2.37 4.81 -1.07 0.15 114.58 119.57 2k2p h GLU 45 Ca -0.03 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.05 2k2p h GLU 45 Cb 0.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2k2p h GLU 45 CO 0.05 0.08 -0.37 0.87 -0.73 0.00 0.00 179.01 178.91 2k2p h LYS 46 N 0.13 0.79 -0.05 1.92 6.56 -1.67 -2.29 116.57 121.95 2k2p h LYS 46 Ca 0.31 -0.40 -0.17 0.00 -1.06 0.00 0.00 60.65 59.33 2k2p h LYS 46 Cb 0.49 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.14 2k2p h LYS 46 CO -0.50 1.03 -0.70 1.15 -2.06 0.00 0.00 179.45 178.37 2k2p h THR 47 N 0.65 1.42 -2.53 -0.16 2.02 -1.38 -3.38 112.91 109.54 2k2p h THR 47 Ca 0.06 -2.19 -0.59 0.00 0.77 0.00 0.00 66.41 64.46 2k2p h THR 47 Cb 0.93 2.15 -0.39 0.00 -1.74 0.00 0.00 68.15 69.10 2k2p h THR 47 CO 0.08 0.64 -0.89 0.68 0.37 0.00 0.00 175.52 176.41 2k2p s VAL 48 N -3.58 0.77 0.06 3.16 -7.23 -0.07 -5.12 120.40 108.39 2k2p s VAL 48 Ca -0.04 -2.80 -0.30 0.00 -1.81 0.00 0.00 61.98 57.02 2k2p s VAL 48 Cb 0.11 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.43 2k2p s VAL 48 CO 0.81 -1.16 1.78 -2.84 -0.31 0.00 0.00 175.10 173.38 2k2p s PRO 49 N -0.06 4.17 0.00 4.82 0.02 -0.86 -2.63 135.00 140.45 2k2p s PRO 49 Ca 0.29 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.76 2k2p s PRO 49 Cb -0.02 -3.80 0.00 0.00 0.02 0.00 0.00 34.50 30.70 2k2p s PRO 49 CO -0.16 -0.83 0.00 0.41 -0.33 0.00 0.00 177.00 176.08 2k2p n GLY 50 N 4.21 1.38 3.57 0.52 0.00 -1.26 -5.07 105.19 108.55 2k2p n GLY 50 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.48 2.75 -0.64 4.61 0.00 -1.08 -4.60 121.76 121.32 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 -4.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.00 2k2p s ALA 51 CO 0.00 -3.01 1.70 0.00 0.00 0.00 0.00 175.76 174.45 2k2p s ALA 52 N 6.39 2.35 0.03 0.00 0.00 -0.56 -4.66 121.76 125.31 2k2p s ALA 52 Ca 0.55 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 2k2p s ALA 52 Cb -0.12 -4.28 -0.05 0.00 0.00 0.00 0.00 23.12 18.67 2k2p s ALA 52 CO 0.25 -3.69 0.74 0.14 0.00 0.00 0.00 175.76 173.20 2k2p s VAL 53 N 8.10 4.78 -0.30 0.00 -7.23 -1.26 -1.71 120.40 122.79 2k2p s VAL 53 Ca 0.59 1.57 -0.02 0.00 -1.81 0.00 0.00 61.98 62.31 2k2p s VAL 53 Cb -0.12 -4.09 0.10 0.00 0.56 0.00 0.00 36.38 32.84 2k2p s VAL 53 CO 0.20 0.36 0.11 -2.28 -0.31 0.00 0.00 175.10 173.18 2k2p s HIS 54 N -0.00 1.07 -0.32 2.82 2.46 -0.22 -4.97 115.29 116.12 2k2p s HIS 54 Ca 0.38 -1.35 -0.25 0.00 0.47 0.00 0.00 55.06 54.31 2k2p s HIS 54 Cb -0.20 -1.34 0.01 0.00 -0.13 0.00 0.00 32.58 30.92 2k2p s HIS 54 CO 0.22 -0.86 0.88 0.00 -2.47 0.00 0.00 174.74 172.51 2k2p s ALA 55 N 1.83 3.50 -0.44 1.58 0.00 -1.26 -1.85 121.76 125.12 2k2p s ALA 55 Ca 0.10 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 2k2p s ALA 55 Cb -0.17 -3.43 0.07 0.00 0.00 0.00 0.00 23.12 19.59 2k2p s ALA 55 CO -0.30 -1.36 0.31 0.34 0.00 0.00 0.00 175.76 174.75 2k2p s ASP 56 N 1.68 5.89 0.25 0.00 -1.08 -0.58 -4.98 116.67 117.85 2k2p s ASP 56 Ca 0.36 -1.34 -0.03 0.00 -0.52 0.00 0.00 52.55 51.02 2k2p s ASP 56 Cb -0.13 -2.08 0.44 0.00 -1.46 0.00 0.00 42.92 39.69 2k2p s ASP 56 CO 0.14 -0.56 1.81 -0.65 0.52 0.00 0.00 175.17 176.43 2k2p h PRO 57 N 8.57 0.80 -0.23 4.34 0.11 -1.89 0.28 132.00 143.97 2k2p h PRO 57 Ca -0.26 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 2k2p h PRO 57 Cb 1.10 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2k2p h PRO 57 CO 0.80 0.53 -0.08 0.00 -0.21 0.00 0.00 178.00 179.04 2k2p h ALA 58 N 1.48 0.32 0.00 -0.75 0.00 -1.96 -3.17 119.26 115.18 2k2p h ALA 58 Ca 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k2p h ALA 58 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k2p h ALA 58 CO -0.26 0.13 -0.94 1.03 0.00 0.00 0.00 179.25 179.21 2k2p h SER 59 N 0.18 0.00 -5.45 0.00 0.87 -2.00 -3.48 113.55 103.67 2k2p h SER 59 Ca 0.06 -0.05 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 2k2p h SER 59 Cb 0.55 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.66 2k2p h SER 59 CO 0.03 0.03 -0.70 0.54 -0.53 0.00 0.00 176.83 176.20 2k2p n ARG 60 N -2.56 -6.58 -3.89 2.24 3.00 0.95 -4.87 116.66 104.94 2k2p n ARG 60 Ca 0.01 0.79 -0.28 0.00 -0.01 0.00 0.00 57.85 58.35 2k2p n ARG 60 Cb 0.53 -5.66 -0.16 0.00 0.00 0.00 0.00 32.46 27.16 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 -3.33 1.13 -0.44 0.55 2.01 -1.04 -0.89 115.64 113.64 2k2p s THR 61 Ca 0.16 -0.65 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 2k2p s THR 61 Cb -0.07 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.17 2k2p s THR 61 CO 0.68 0.13 0.39 -0.69 -0.69 0.00 0.00 174.62 174.44 2k2p s VAL 62 N 1.62 5.17 -0.14 3.82 1.01 -0.45 -1.53 120.40 129.89 2k2p s VAL 62 Ca 0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2k2p s VAL 62 Cb -0.15 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2k2p s VAL 62 CO -0.08 -0.45 0.16 0.68 0.00 0.00 0.00 175.10 175.41 2k2p s VAL 63 N 1.88 5.44 -0.07 2.92 -7.23 -0.77 -2.45 120.40 120.12 2k2p s VAL 63 Ca 0.08 0.25 0.05 0.00 -1.81 0.00 0.00 61.98 60.55 2k2p s VAL 63 Cb -0.20 -3.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 2k2p s VAL 63 CO 0.10 0.54 -0.23 0.68 -0.31 0.00 0.00 175.10 175.89 2k2p s VAL 64 N -0.48 2.20 0.16 1.32 -7.23 -0.65 -1.06 120.40 114.65 2k2p s VAL 64 Ca 0.13 -1.00 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 2k2p s VAL 64 Cb -0.12 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 2k2p s VAL 64 CO 0.02 0.57 -0.07 -0.83 -0.31 0.00 0.00 175.10 174.48 2k2p s GLY 65 N -0.03 1.75 -0.12 2.32 0.00 -0.69 -0.81 107.32 109.74 2k2p s GLY 65 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2k2p s GLY 65 CO 0.05 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.37 2k2p n GLY 66 N 0.17 0.50 3.05 0.20 0.00 -1.26 -1.49 105.19 106.35 2k2p n GLY 66 Ca -0.11 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 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 1.06 -0.12 1.61 -7.23 -1.26 -4.88 120.40 107.60 2k2p s VAL 67 Ca 0.00 -0.50 0.20 0.00 -1.81 0.00 0.00 61.98 59.86 2k2p s VAL 67 Cb 0.00 -0.93 -0.21 0.00 0.56 0.00 0.00 36.38 35.80 2k2p s VAL 67 CO 0.00 0.32 0.58 -1.20 -0.31 0.00 0.00 175.10 174.49 2k2p n SER 68 N 3.31 0.39 -4.57 4.85 7.64 -1.26 -4.73 113.62 119.26 2k2p n SER 68 Ca -0.19 0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.45 2k2p n SER 68 Cb 0.53 1.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.71 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 -5.23 6.46 0.03 6.43 1.01 -1.26 -4.83 116.67 119.28 2k2p s ASP 69 Ca -0.06 -1.65 -0.20 0.00 0.71 0.00 0.00 52.55 51.35 2k2p s ASP 69 Cb 0.10 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.30 2k2p s ASP 69 CO 0.85 -1.55 1.31 0.00 0.21 0.00 0.00 175.17 175.98 2k2p h ALA 70 N 9.34 0.20 -0.60 5.23 0.00 -2.01 -2.94 119.26 128.48 2k2p h ALA 70 Ca 0.26 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 70 Cb 0.97 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2k2p h ALA 70 CO 1.42 0.12 0.30 0.00 0.00 0.00 0.00 179.25 181.09 2k2p h ALA 71 N 0.57 1.40 0.14 0.00 0.00 -2.00 -2.27 119.26 117.11 2k2p h ALA 71 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k2p h ALA 71 Cb 0.75 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k2p h ALA 71 CO 0.04 0.48 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 2k2p h HIS 72 N 0.84 -0.18 -0.78 0.00 6.17 -1.96 -1.81 115.15 117.43 2k2p h HIS 72 Ca 0.21 -0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.30 2k2p h HIS 72 Cb 0.07 0.06 -0.04 0.00 2.52 0.00 0.00 27.41 30.01 2k2p h HIS 72 CO 0.01 0.02 0.51 0.82 0.71 0.00 0.00 177.93 179.99 2k2p h ILE 73 N -0.35 1.17 -0.76 6.26 1.08 -1.37 -2.72 117.51 120.82 2k2p h ILE 73 Ca -0.02 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 2k2p h ILE 73 Cb 0.28 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.05 2k2p h ILE 73 CO 0.03 0.19 0.39 0.00 -0.69 0.00 0.00 178.15 178.07 2k2p h ALA 74 N 1.30 0.97 -0.80 1.87 0.00 -1.29 -2.66 119.26 118.66 2k2p h ALA 74 Ca 0.30 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2k2p h ALA 74 Cb -0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.39 2k2p h ALA 74 CO -0.08 0.51 0.32 0.93 0.00 0.00 0.00 179.25 180.93 2k2p h GLU 75 N 1.06 1.20 0.39 0.00 4.39 -1.05 -2.39 114.58 118.19 2k2p h GLU 75 Ca 0.26 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2k2p h GLU 75 Cb 0.08 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2k2p h GLU 75 CO -0.04 0.97 -0.19 0.82 -1.16 0.00 0.00 179.01 179.41 2k2p h ILE 76 N 1.17 0.62 -0.04 3.13 2.04 -1.19 -2.32 117.51 120.91 2k2p h ILE 76 Ca 0.27 -0.16 -0.17 0.00 1.00 0.00 0.00 64.86 65.80 2k2p h ILE 76 Cb 0.22 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2k2p h ILE 76 CO -0.02 0.03 -0.73 -0.29 0.00 0.00 0.00 178.15 177.14 2k2p h ILE 77 N -0.62 1.43 0.00 -0.67 2.10 -1.51 -2.52 117.51 115.72 2k2p h ILE 77 Ca -0.05 -2.26 -0.11 0.00 1.08 0.00 0.00 64.86 63.51 2k2p h ILE 77 Cb 0.46 2.20 -0.02 0.00 -1.09 0.00 0.00 36.82 38.38 2k2p h ILE 77 CO 0.09 0.67 -0.54 0.00 -1.08 0.00 0.00 178.15 177.28 2k2p h THR 78 N 0.16 1.32 0.00 2.19 1.03 -1.16 -2.09 112.91 114.35 2k2p h THR 78 Ca -0.03 -1.91 -0.03 0.00 -0.01 0.00 0.00 66.41 64.43 2k2p h THR 78 Cb 1.30 2.05 -0.00 0.00 -1.07 0.00 0.00 68.15 70.42 2k2p h THR 78 CO 0.11 0.53 -0.15 0.00 -0.01 0.00 0.00 175.52 176.01 2k2p h ALA 79 N 1.46 1.05 -0.00 0.00 0.00 -1.13 -2.44 119.26 118.18 2k2p h ALA 79 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k2p h ALA 79 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k2p h ALA 79 CO 0.07 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 2k2p n ALA 80 N -2.20 2.67 -0.01 0.00 0.00 -0.88 -4.91 120.51 115.18 2k2p n ALA 80 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2k2p n ALA 80 Cb 0.37 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.19 0.27 3.26 0.00 0.00 -0.92 -5.05 105.19 103.94 2k2p n GLY 81 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.05 3.36 -0.36 1.61 2.02 -0.84 -4.94 117.35 116.14 2k2p s TYR 82 Ca 0.00 -1.59 -0.18 0.00 -0.37 0.00 0.00 57.07 54.93 2k2p s TYR 82 Cb 0.00 -3.17 -0.00 0.00 -0.40 0.00 0.00 41.96 38.38 2k2p s TYR 82 CO 0.00 -0.90 0.49 0.99 -1.57 0.00 0.00 175.55 174.56 2k2p s THR 83 N 1.42 5.03 -0.90 -0.71 2.01 -1.26 -2.60 115.64 118.64 2k2p s THR 83 Ca 0.04 0.21 0.23 0.00 0.31 0.00 0.00 61.69 62.48 2k2p s THR 83 Cb -0.24 -3.96 -0.14 0.00 0.01 0.00 0.00 72.50 68.16 2k2p s THR 83 CO 0.01 -0.24 1.06 -0.81 -0.69 0.00 0.00 174.62 173.96 2k2p n PRO 84 N 5.70 0.07 0.00 4.92 -0.04 -1.26 -2.84 135.00 141.55 2k2p n PRO 84 Ca -0.05 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2k2p n PRO 84 Cb 0.49 -1.52 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