#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2eik s SER 2 N 0.00 -0.03 0.00 0.00 1.04 -1.26 -5.18 113.70 108.28 2eik s SER 2 Ca 0.00 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.39 2eik s SER 2 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2eik s SER 2 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 2eik n GLY 3 N -0.36 -0.89 0.00 7.32 0.00 -1.26 -5.19 105.19 104.81 2eik n GLY 3 Ca -0.01 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2eik n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eik n GLY 4 N 0.00 5.35 0.18 -0.02 0.00 -1.26 -4.99 105.19 104.44 2eik n GLY 4 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 2eik n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2eik n GLY 5 N 3.42 0.66 3.38 -0.02 0.00 -1.26 -5.06 105.19 106.31 2eik n GLY 5 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2eik n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2eik s VAL 6 N -2.09 3.94 0.87 1.61 1.01 -1.26 -5.09 120.40 119.38 2eik s VAL 6 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 2eik s VAL 6 Cb 0.00 -2.89 0.11 0.00 0.00 0.00 0.00 36.38 33.60 2eik s VAL 6 CO 0.00 0.28 1.15 -0.81 0.00 0.00 0.00 175.10 175.72 2eik n PRO 7 N 4.87 -0.14 -3.92 2.72 -0.04 -1.26 -5.05 135.00 132.18 2eik n PRO 7 Ca -0.16 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 2eik n PRO 7 Cb 0.50 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.52 2eik n PRO 7 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2eik s THR 8 N -2.38 2.98 0.21 0.52 -4.23 -1.26 -4.98 115.64 106.50 2eik s THR 8 Ca 0.70 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 2eik s THR 8 Cb -0.26 -3.04 0.16 0.00 1.34 0.00 0.00 72.50 70.70 2eik s THR 8 CO 0.55 -0.12 1.83 0.44 -0.54 0.00 0.00 174.62 176.78 2eik h ASP 9 N 1.35 0.98 -0.90 3.99 3.32 -1.96 0.11 116.42 123.30 2eik h ASP 9 Ca -0.43 -0.10 0.13 0.00 0.02 0.00 0.00 57.03 56.65 2eik h ASP 9 Cb 1.26 -0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 2eik h ASP 9 CO 0.62 0.79 0.52 -0.08 -1.72 0.00 0.00 179.24 179.37 2eik h GLU 10 N 1.08 0.77 0.00 3.56 4.57 -1.95 0.27 114.58 122.88 2eik h GLU 10 Ca 0.27 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 58.18 2eik h GLU 10 Cb 0.03 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 2eik h GLU 10 CO -0.04 0.51 -1.34 0.93 -1.18 0.00 0.00 179.01 177.88 2eik h GLU 11 N 0.79 0.00 0.00 1.92 5.08 -1.82 -3.42 114.58 117.13 2eik h GLU 11 Ca 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2eik h GLU 11 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2eik h GLU 11 CO -0.31 0.60 -0.75 0.94 -1.00 0.00 0.00 179.01 178.49 2eik n GLN 12 N -3.12 2.00 -1.74 2.33 7.27 0.32 -4.96 117.38 119.48 2eik n GLN 12 Ca -0.09 -0.01 -0.40 0.00 0.07 0.00 0.00 57.00 56.57 2eik n GLN 12 Cb 0.95 -0.88 0.02 0.00 2.41 0.00 0.00 30.24 32.74 2eik n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2eik n ALA 13 N -1.38 1.80 -4.19 1.69 0.00 0.90 -5.00 120.51 114.34 2eik n ALA 13 Ca -0.00 0.26 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 2eik n ALA 13 Cb 0.02 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.05 2eik n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2eik n THR 14 N -0.20 0.00 -2.38 0.00 5.66 -1.26 -4.67 114.28 111.43 2eik n THR 14 Ca 0.06 -2.30 0.00 0.00 -3.05 0.00 0.00 64.05 58.75 2eik n THR 14 Cb 0.41 1.16 0.00 0.00 -1.55 0.00 0.00 70.33 70.34 2eik n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2eik n GLY 15 N -0.60 1.86 0.26 1.09 0.00 -1.26 -1.67 105.19 104.88 2eik n GLY 15 Ca 0.07 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.75 2eik n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2eik h LEU 16 N 0.00 0.30 -0.48 0.99 5.85 -1.99 -2.08 115.31 117.90 2eik h LEU 16 Ca 0.00 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2eik h LEU 16 Cb 0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2eik h LEU 16 CO 0.00 0.36 0.31 -0.08 -0.34 0.00 0.00 178.44 178.69 2eik h GLU 17 N 0.33 0.61 -0.50 1.25 4.81 -1.90 -0.39 114.58 118.79 2eik h GLU 17 Ca 0.08 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2eik h GLU 17 Cb 0.22 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2eik h GLU 17 CO 0.00 0.41 0.15 -0.09 -0.73 0.00 0.00 179.01 178.75 2eik h ARG 18 N 0.63 0.79 -0.20 1.92 2.43 -0.65 -1.65 114.38 117.65 2eik h ARG 18 Ca 0.18 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2eik h ARG 18 Cb -0.05 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2eik h ARG 18 CO -0.05 0.74 0.11 0.93 -1.51 0.00 0.00 179.97 180.18 2eik h GLU 19 N 0.69 0.22 -0.90 0.20 5.08 -1.11 0.15 114.58 118.91 2eik h GLU 19 Ca 0.16 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2eik h GLU 19 Cb 0.29 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2eik h GLU 19 CO -0.00 0.14 0.60 0.28 -1.00 0.00 0.00 179.01 179.03 2eik h VAL 20 N 0.22 1.22 -0.07 3.13 2.07 -0.96 -0.81 116.25 121.05 2eik h VAL 20 Ca 0.08 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2eik h VAL 20 Cb 0.01 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.68 2eik h VAL 20 CO -0.05 0.22 -0.03 -0.03 0.02 0.00 0.00 177.57 177.71 2eik h MET 21 N 1.21 0.14 -0.63 1.57 1.85 -0.69 -1.44 114.93 116.94 2eik h MET 21 Ca 0.33 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.29 2eik h MET 21 Cb -0.12 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 2eik h MET 21 CO -0.08 0.49 0.11 -0.07 -0.40 0.00 0.00 176.91 176.96 2eik h LEU 22 N -0.22 0.99 -0.68 3.39 3.38 -0.57 -2.34 115.31 119.26 2eik h LEU 22 Ca 0.02 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 2eik h LEU 22 Cb 0.45 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2eik h LEU 22 CO 0.01 1.00 0.20 0.00 0.09 0.00 0.00 178.44 179.74 2eik h ALA 23 N 1.03 0.89 -0.03 1.53 0.00 -1.16 -1.67 119.26 119.85 2eik h ALA 23 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2eik h ALA 23 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2eik h ALA 23 CO 0.01 0.58 -0.14 0.00 0.00 0.00 0.00 179.25 179.70 2eik h ALA 24 N 1.09 1.71 -0.23 0.00 0.00 -1.05 0.83 119.26 121.61 2eik h ALA 24 Ca 0.22 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 2eik h ALA 24 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2eik h ALA 24 CO -0.00 0.22 -0.41 -0.09 0.00 0.00 0.00 179.25 178.96 2eik h ARG 25 N 0.05 0.53 -0.05 0.00 2.43 -0.76 -2.38 114.38 114.20 2eik h ARG 25 Ca 0.01 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 2eik h ARG 25 Cb 0.28 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2eik h ARG 25 CO 0.02 0.85 0.00 1.63 -1.51 0.00 0.00 179.97 180.96 2eik n LYS 26 N -4.02 1.26 -1.11 0.20 5.02 -0.73 -4.89 118.16 113.88 2eik n LYS 26 Ca -0.02 -0.38 -0.04 0.00 -2.02 0.00 0.00 58.31 55.85 2eik n LYS 26 Cb 0.52 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.17 2eik n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2eik n GLY 27 N 0.92 0.67 3.88 0.72 0.00 -0.89 -5.04 105.19 105.46 2eik n GLY 27 Ca 0.15 -0.88 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 2eik n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2eik s GLN 28 N -2.29 2.97 -0.40 1.61 -0.21 0.21 -4.99 119.66 116.57 2eik s GLN 28 Ca 0.00 -1.08 0.09 0.00 0.02 0.00 0.00 55.36 54.39 2eik s GLN 28 Cb 0.00 -2.63 0.29 0.00 1.00 0.00 0.00 33.01 31.67 2eik s GLN 28 CO 0.00 0.24 0.62 -3.47 -2.12 0.00 0.00 175.29 170.57 2eik n ASP 29 N -1.36 0.70 0.29 5.90 2.03 -1.26 -3.67 116.55 119.18 2eik n ASP 29 Ca -0.05 -2.88 0.18 0.00 0.52 0.00 0.00 54.79 52.57 2eik n ASP 29 Cb 0.58 -0.63 0.80 0.00 -0.72 0.00 0.00 41.12 41.16 2eik n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2eik h PRO 30 N 3.58 0.00 -0.59 -0.67 0.13 -1.96 -3.03 132.00 129.46 2eik h PRO 30 Ca 0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.06 2eik h PRO 30 Cb 0.90 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.93 2eik h PRO 30 CO 0.50 0.03 0.16 0.66 -0.23 0.00 0.00 178.00 179.12 2eik n TYR 31 N -3.16 1.97 -4.11 1.56 4.02 -1.26 -4.98 117.16 111.20 2eik n TYR 31 Ca -0.01 -1.18 -0.30 0.00 -0.01 0.00 0.00 57.90 56.41 2eik n TYR 31 Cb 0.25 -0.58 -0.04 0.00 -0.02 0.00 0.00 39.34 38.95 2eik n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2eik n ASN 32 N -0.34 -1.07 0.10 7.72 3.02 -1.15 -4.87 115.26 118.68 2eik n ASN 32 Ca 0.36 -1.06 -0.01 0.00 -0.03 0.00 0.00 54.58 53.83 2eik n ASN 32 Cb 1.24 -2.69 -0.04 0.00 -0.61 0.00 0.00 39.78 37.68 2eik n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2eik h ILE 33 N -1.70 1.12 -2.73 2.41 2.04 -1.94 -3.46 117.51 113.26 2eik h ILE 33 Ca -0.62 -2.63 -0.58 0.00 1.00 0.00 0.00 64.86 62.03 2eik h ILE 33 Cb 1.38 2.53 -0.08 0.00 -0.74 0.00 0.00 36.82 39.92 2eik h ILE 33 CO 0.69 0.64 -0.59 -0.76 0.00 0.00 0.00 178.15 178.13 2eik s LEU 34 N -6.47 3.65 -0.19 1.44 1.43 -1.26 -5.08 118.68 112.20 2eik s LEU 34 Ca 0.02 -0.22 -0.23 0.00 -1.03 0.00 0.00 54.13 52.67 2eik s LEU 34 Cb 0.08 -2.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 2eik s LEU 34 CO 0.78 0.07 0.73 0.00 0.23 0.00 0.00 176.35 178.16 2eik s ALA 35 N -1.77 3.54 0.46 4.21 0.00 -1.26 -5.04 121.76 121.90 2eik s ALA 35 Ca 0.30 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 2eik s ALA 35 Cb -0.10 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.85 2eik s ALA 35 CO 0.22 -0.62 1.22 -1.25 0.00 0.00 0.00 175.76 175.33 2eik s PRO 36 N 2.07 3.71 0.07 0.00 0.04 -1.26 -5.02 135.00 134.62 2eik s PRO 36 Ca 0.33 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 2eik s PRO 36 Cb -0.16 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 31.85 2eik s PRO 36 CO 0.11 -0.63 0.61 0.21 0.04 0.00 0.00 177.00 177.34 2eik s LYS 37 N -2.62 4.28 0.41 4.56 2.47 -1.26 -5.06 119.74 122.53 2eik s LYS 37 Ca 0.63 0.81 -0.23 0.00 -1.56 0.00 0.00 55.97 55.62 2eik s LYS 37 Cb -0.32 -3.27 -0.10 0.00 -1.46 0.00 0.00 37.83 32.69 2eik s LYS 37 CO 0.39 0.57 1.00 0.00 0.16 0.00 0.00 175.35 177.46 2eik s ALA 38 N -0.90 3.05 0.54 3.13 0.00 -1.26 -5.01 121.76 121.30 2eik s ALA 38 Ca 0.31 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2eik s ALA 38 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.71 2eik s ALA 38 CO 0.20 -0.05 0.00 0.25 0.00 0.00 0.00 175.76 176.16 2eik n THR 39 N -0.34 0.00 0.71 0.00 -2.24 -1.26 -4.95 114.28 106.20 2eik n THR 39 Ca 0.06 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 2eik n THR 39 Cb 0.52 -1.54 0.48 0.00 -2.10 0.00 0.00 70.33 67.69 2eik n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2eik n SER 40 N -1.37 0.43 -0.50 3.42 3.41 -1.25 -4.90 113.62 112.86 2eik n SER 40 Ca 0.00 0.55 -0.07 0.00 -0.26 0.00 0.00 58.87 59.10 2eik n SER 40 Cb 0.00 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 2eik n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2eik n GLY 41 N 1.06 0.79 3.81 5.00 0.00 -0.52 -4.91 105.19 110.42 2eik n GLY 41 Ca 0.05 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2eik n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eik s THR 42 N -1.93 1.84 0.25 2.61 -4.23 -1.11 0.45 115.64 113.52 2eik s THR 42 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2eik s THR 42 Cb 0.00 -2.82 0.19 0.00 1.34 0.00 0.00 72.50 71.21 2eik s THR 42 CO 0.00 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.43 2eik h LYS 43 N -2.04 1.13 0.00 3.99 3.64 -1.96 -2.59 116.57 118.75 2eik h LYS 43 Ca -0.44 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 58.70 2eik h LYS 43 Cb 1.25 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 2eik h LYS 43 CO 0.34 0.87 -0.76 0.93 -2.27 0.00 0.00 179.45 178.56 2eik h GLU 44 N 1.12 0.00 -2.14 1.90 3.07 -2.01 -3.38 114.58 113.13 2eik h GLU 44 Ca 0.27 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.57 2eik h GLU 44 Cb 0.11 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.61 2eik h GLU 44 CO -0.03 0.23 -0.86 -3.47 -1.40 0.00 0.00 179.01 173.47 2eik n ASP 45 N -2.98 2.59 -4.79 1.42 4.64 -1.10 -5.11 116.55 111.20 2eik n ASP 45 Ca -0.01 -3.27 -0.31 0.00 -1.38 0.00 0.00 54.79 49.81 2eik n ASP 45 Cb 0.68 -0.62 0.06 0.00 -1.04 0.00 0.00 41.12 40.20 2eik n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2eik s PRO 46 N -2.55 2.74 -0.06 -0.67 0.04 -0.99 -1.44 135.00 132.07 2eik s PRO 46 Ca 0.42 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 2eik s PRO 46 Cb 0.25 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 2eik s PRO 46 CO -0.09 -1.26 1.21 -0.80 0.04 0.00 0.00 177.00 176.10 2eik s ASN 47 N -3.37 7.04 -0.36 6.66 0.01 -0.13 -4.78 114.94 120.01 2eik s ASN 47 Ca 0.61 1.81 -0.24 0.00 -0.71 0.00 0.00 52.86 54.33 2eik s ASN 47 Cb -0.16 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 38.95 2eik s ASN 47 CO 0.51 -0.60 0.81 -0.76 -1.51 0.00 0.00 177.10 175.55 2eik s LEU 48 N 2.31 4.10 -0.42 0.60 2.01 -1.26 -0.49 118.68 125.53 2eik s LEU 48 Ca 0.56 0.42 -0.13 0.00 0.01 0.00 0.00 54.13 54.98 2eik s LEU 48 Cb -0.24 -3.07 0.05 0.00 0.01 0.00 0.00 46.19 42.93 2eik s LEU 48 CO 0.21 -0.75 0.30 -0.69 1.01 0.00 0.00 176.35 176.44 2eik s VAL 49 N 3.16 4.95 0.54 -1.59 1.01 0.57 -4.94 120.40 124.10 2eik s VAL 49 Ca 0.33 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 2eik s VAL 49 Cb -0.13 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 2eik s VAL 49 CO 0.17 -0.41 1.20 -2.84 0.00 0.00 0.00 175.10 173.22 2eik s PRO 50 N 1.60 3.29 0.03 2.72 0.02 -1.26 -0.97 135.00 140.43 2eik s PRO 50 Ca 0.04 1.82 -0.27 0.00 0.02 0.00 0.00 61.00 62.60 2eik s PRO 50 Cb -0.21 -2.12 0.07 0.00 0.02 0.00 0.00 34.50 32.26 2eik s PRO 50 CO 0.07 -0.95 0.63 0.45 -0.33 0.00 0.00 177.00 176.87 2eik s SER 51 N -1.48 -0.60 0.00 2.53 0.15 -1.14 -4.85 113.70 108.30 2eik s SER 51 Ca 0.72 0.41 0.20 0.00 0.70 0.00 0.00 55.95 57.98 2eik s SER 51 Cb -0.30 0.56 0.33 0.00 -1.71 0.00 0.00 66.02 64.90 2eik s SER 51 CO 0.34 -0.75 1.29 2.30 1.20 0.00 0.00 173.24 177.62 2eik n ILE 52 N 0.41 0.42 -3.64 6.45 -5.35 -1.26 0.13 119.36 116.52 2eik n ILE 52 Ca -0.18 -0.71 0.00 0.00 -0.27 0.00 0.00 62.75 61.59 2eik n ILE 52 Cb 0.60 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 2eik n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2eik n THR 53 N 1.25 0.00 -0.08 7.28 -2.24 -1.26 -4.47 114.28 114.76 2eik n THR 53 Ca 0.16 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 2eik n THR 53 Cb 0.54 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.05 2eik n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2eik n ASN 54 N -1.57 3.70 -3.59 3.42 3.02 -1.26 -4.50 115.26 114.48 2eik n ASN 54 Ca 0.00 -2.27 -0.12 0.00 -0.03 0.00 0.00 54.58 52.16 2eik n ASN 54 Cb 0.00 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 2eik n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2eik s LYS 55 N -1.65 0.69 -0.07 3.52 -2.85 -1.26 -0.49 119.74 117.63 2eik s LYS 55 Ca 0.40 0.45 -0.08 0.00 -1.00 0.00 0.00 55.97 55.74 2eik s LYS 55 Cb 0.25 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 36.37 2eik s LYS 55 CO 0.21 -0.16 0.21 0.50 0.10 0.00 0.00 175.35 176.22 2eik s ARG 56 N -0.46 0.30 0.03 1.78 3.52 -0.05 -4.93 118.95 119.14 2eik s ARG 56 Ca -0.02 0.19 -0.30 0.00 -0.13 0.00 0.00 55.73 55.47 2eik s ARG 56 Cb -0.03 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.45 2eik s ARG 56 CO 0.01 -0.05 1.24 0.42 -0.81 0.00 0.00 175.30 176.10 2eik s ILE 57 N -0.14 4.01 -0.07 4.11 1.01 -1.26 0.57 121.20 129.42 2eik s ILE 57 Ca -0.02 1.41 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2eik s ILE 57 Cb -0.02 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2eik s ILE 57 CO 0.01 0.07 -0.06 -0.69 0.00 0.00 0.00 174.94 174.27 2eik s VAL 58 N 1.53 3.82 -0.17 2.92 1.01 0.22 -4.89 120.40 124.84 2eik s VAL 58 Ca 0.59 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2eik s VAL 58 Cb -0.29 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2eik s VAL 58 CO 0.27 0.60 -0.17 -0.83 0.00 0.00 0.00 175.10 174.97 2eik s GLY 59 N -0.80 1.44 -0.20 4.51 0.00 -1.26 -0.99 107.32 110.03 2eik s GLY 59 Ca 0.12 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 2eik s GLY 59 CO 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 173.10 173.20 2eik s ILE 61 N 1.31 5.74 0.19 0.00 1.01 -1.26 -1.66 121.20 126.53 2eik s ILE 61 Ca 0.04 -3.10 -0.18 0.00 0.00 0.00 0.00 60.65 57.41 2eik s ILE 61 Cb -0.14 -4.65 0.16 0.00 0.01 0.00 0.00 42.46 37.84 2eik s ILE 61 CO -0.04 -1.26 1.37 0.00 0.00 0.00 0.00 174.94 175.01 2eik s GLU 63 N -5.76 1.46 0.32 0.00 2.02 -1.26 -5.06 118.70 110.42 2eik s GLU 63 Ca -0.12 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.34 2eik s GLU 63 Cb 0.16 -1.82 -0.12 0.00 0.10 0.00 0.00 34.13 32.46 2eik s GLU 63 CO 0.62 0.44 1.54 -1.91 0.02 0.00 0.00 175.26 175.97 2eik n GLU 64 N 1.22 2.65 -0.91 1.61 2.13 -1.26 -1.91 120.64 124.16 2eik n GLU 64 Ca -0.18 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2eik n GLU 64 Cb 0.53 -2.69 0.00 0.00 0.27 0.00 0.00 31.44 29.55 2eik n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2eik n ASP 65 N 1.50 0.00 -4.77 4.31 10.43 -1.26 -5.02 116.55 121.75 2eik n ASP 65 Ca 0.06 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.04 2eik n ASP 65 Cb 0.37 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.33 2eik n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2eik s ASN 66 N -3.00 6.18 0.09 -2.24 -0.87 -0.80 -4.90 114.94 109.39 2eik s ASN 66 Ca 0.00 2.49 0.21 0.00 -1.57 0.00 0.00 52.86 53.99 2eik s ASN 66 Cb 0.00 -2.62 -0.14 0.00 -0.02 0.00 0.00 41.25 38.47 2eik s ASN 66 CO 0.00 -0.93 0.79 -1.54 -2.57 0.00 0.00 177.10 172.85 2eik n SER 67 N -0.22 0.56 -4.69 -1.22 3.41 -1.26 -4.87 113.62 105.33 2eik n SER 67 Ca 0.06 0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 2eik n SER 67 Cb 0.46 0.89 -0.05 0.00 -0.26 0.00 0.00 64.21 65.24 2eik n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2eik s THR 68 N -3.29 5.02 -0.14 6.66 2.01 -1.26 -5.06 115.64 119.58 2eik s THR 68 Ca -0.04 1.32 -0.04 0.00 0.31 0.00 0.00 61.69 63.24 2eik s THR 68 Cb 0.11 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 2eik s THR 68 CO 0.83 0.17 0.01 -0.69 -0.69 0.00 0.00 174.62 174.25 2eik s VAL 69 N 1.45 4.33 -0.27 3.82 1.01 -1.26 -4.72 120.40 124.76 2eik s VAL 69 Ca 0.33 -0.21 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 2eik s VAL 69 Cb -0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 2eik s VAL 69 CO 0.13 0.52 0.47 -0.63 0.00 0.00 0.00 175.10 175.59 2eik s ILE 70 N -0.01 5.10 -0.09 2.22 -1.09 -0.66 -4.88 121.20 121.78 2eik s ILE 70 Ca 0.03 0.74 -0.01 0.00 -2.23 0.00 0.00 60.65 59.18 2eik s ILE 70 Cb -0.13 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2eik s ILE 70 CO 0.02 0.08 -0.05 0.26 -1.23 0.00 0.00 174.94 174.03 2eik s TRP 71 N 2.24 3.00 -0.08 3.97 0.52 -1.26 0.48 118.94 127.82 2eik s TRP 71 Ca 0.19 -0.02 -0.30 0.00 0.02 0.00 0.00 56.10 55.99 2eik s TRP 71 Cb -0.16 -1.79 0.10 0.00 -1.15 0.00 0.00 33.47 30.48 2eik s TRP 71 CO 0.10 0.27 0.84 -0.59 0.02 0.00 0.00 176.95 177.59 2eik s PHE 72 N -0.54 -0.48 -0.09 -1.98 -0.12 -0.16 -4.98 117.98 109.62 2eik s PHE 72 Ca 0.08 0.73 -0.30 0.00 -0.05 0.00 0.00 56.93 57.40 2eik s PHE 72 Cb -0.12 0.46 -0.02 0.00 -0.63 0.00 0.00 43.02 42.71 2eik s PHE 72 CO 0.02 -0.50 1.07 -1.58 -0.05 0.00 0.00 175.22 174.17 2eik s TRP 73 N -1.61 3.42 -0.31 3.49 0.52 -1.26 0.72 118.94 123.91 2eik s TRP 73 Ca -0.04 1.48 -0.14 0.00 0.02 0.00 0.00 56.10 57.42 2eik s TRP 73 Cb -0.00 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 29.03 2eik s TRP 73 CO 0.02 -0.55 0.34 -1.17 0.02 0.00 0.00 176.95 175.60 2eik s LEU 74 N 2.07 4.24 0.18 2.99 2.96 0.19 -4.91 118.68 126.41 2eik s LEU 74 Ca 0.51 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 2eik s LEU 74 Cb -0.20 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 2eik s LEU 74 CO 0.19 -0.24 0.33 -1.00 -1.32 0.00 0.00 176.35 174.31 2eik s HIS 75 N 1.99 3.48 0.32 5.38 3.76 -1.26 -0.87 115.29 128.09 2eik s HIS 75 Ca 0.12 0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 54.92 2eik s HIS 75 Cb -0.16 -1.72 -0.11 0.00 1.11 0.00 0.00 32.58 31.70 2eik s HIS 75 CO 0.11 0.45 1.46 0.21 -0.85 0.00 0.00 174.74 176.12 2eik s LYS 76 N -3.37 4.21 0.00 1.40 2.20 0.35 -4.49 119.74 120.04 2eik s LYS 76 Ca 0.36 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.39 2eik s LYS 76 Cb -0.11 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2eik s LYS 76 CO 0.29 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.24 2eik n GLY 77 N 1.34 0.45 3.77 5.54 0.00 -1.26 -5.06 105.19 109.96 2eik n GLY 77 Ca 0.04 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 2eik n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2eik s GLU 78 N -1.07 3.88 0.40 1.61 2.12 -1.26 -4.72 118.70 119.66 2eik s GLU 78 Ca 0.00 2.19 -0.25 0.00 0.36 0.00 0.00 54.97 57.27 2eik s GLU 78 Cb 0.00 -2.71 -0.11 0.00 0.26 0.00 0.00 34.13 31.57 2eik s GLU 78 CO 0.00 -0.57 1.05 0.00 -0.54 0.00 0.00 175.26 175.20 2eik n ALA 79 N 0.01 0.31 -2.61 6.30 0.00 -1.26 -4.94 120.51 118.31 2eik n ALA 79 Ca 0.04 0.26 -0.23 0.00 0.00 0.00 0.00 53.44 53.51 2eik n ALA 79 Cb 0.43 -2.10 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 2eik n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2eik s GLN 80 N -1.97 2.35 0.08 0.00 -0.21 -0.30 -4.92 119.66 114.68 2eik s GLN 80 Ca 0.62 -1.46 0.08 0.00 0.02 0.00 0.00 55.36 54.62 2eik s GLN 80 Cb -0.57 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.23 2eik s GLN 80 CO 0.58 0.27 -0.20 1.03 -2.12 0.00 0.00 175.29 174.85 2eik s ARG 81 N -3.75 1.88 0.16 2.91 0.52 -1.26 -1.19 118.95 118.23 2eik s ARG 81 Ca 0.34 -1.10 -0.31 0.00 -0.52 0.00 0.00 55.73 54.14 2eik s ARG 81 Cb -0.05 -2.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.20 2eik s ARG 81 CO 0.21 0.51 1.75 0.00 0.02 0.00 0.00 175.30 177.79 2eik h PRO 83 N 7.59 0.00 0.00 0.00 0.11 -1.96 0.39 132.00 138.13 2eik h PRO 83 Ca -0.44 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.39 2eik h PRO 83 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2eik h PRO 83 CO 0.95 0.00 -1.82 0.45 -0.21 0.00 0.00 178.00 177.37 2eik n SER 84 N -3.06 1.93 -0.37 -2.05 2.88 -1.26 -4.75 113.62 106.94 2eik n SER 84 Ca -0.03 0.37 0.07 0.00 -1.33 0.00 0.00 58.87 57.96 2eik n SER 84 Cb 0.16 -0.82 0.01 0.00 -0.75 0.00 0.00 64.21 62.80 2eik n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2eik n GLY 86 N 1.03 0.48 3.76 0.00 0.00 0.13 -4.91 105.19 105.70 2eik n GLY 86 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2eik n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2eik s THR 87 N -2.34 2.71 0.17 2.61 -4.23 -1.26 -4.32 115.64 108.97 2eik s THR 87 Ca 0.00 0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.83 2eik s THR 87 Cb 0.00 -3.24 -0.08 0.00 1.34 0.00 0.00 72.50 70.52 2eik s THR 87 CO 0.00 -0.03 0.65 -1.00 -0.54 0.00 0.00 174.62 173.70 2eik s HIS 88 N -1.49 3.68 -0.01 3.99 0.09 0.17 -1.36 115.29 120.36 2eik s HIS 88 Ca 0.69 1.28 0.01 0.00 -0.00 0.00 0.00 55.06 57.04 2eik s HIS 88 Cb -0.32 -2.53 0.00 0.00 -0.00 0.00 0.00 32.58 29.73 2eik s HIS 88 CO 0.38 0.42 -0.02 0.71 -0.00 0.00 0.00 174.74 176.22 2eik s TYR 89 N -1.42 0.28 -0.05 1.40 2.02 -0.34 -0.95 117.35 118.29 2eik s TYR 89 Ca 0.39 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 57.06 2eik s TYR 89 Cb -0.17 -0.22 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 2eik s TYR 89 CO 0.20 -0.03 -0.05 0.21 -1.57 0.00 0.00 175.55 174.31 2eik s LYS 90 N 0.17 0.94 0.17 -0.62 2.20 0.36 -1.15 119.74 121.81 2eik s LYS 90 Ca -0.01 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 2eik s LYS 90 Cb -0.04 -0.92 -0.07 0.00 -1.51 0.00 0.00 37.83 35.29 2eik s LYS 90 CO -0.00 -0.07 1.06 -1.17 -0.36 0.00 0.00 175.35 174.80 2eik s LEU 91 N 0.90 4.50 -0.58 5.43 2.96 -1.26 -0.31 118.68 130.33 2eik s LEU 91 Ca -0.11 2.02 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 2eik s LEU 91 Cb -0.14 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.10 2eik s LEU 91 CO 0.00 -0.16 0.37 0.68 -1.32 0.00 0.00 176.35 175.93 2eik s VAL 92 N -0.28 2.26 1.06 1.68 -7.23 -0.15 -4.70 120.40 113.04 2eik s VAL 92 Ca 0.48 -3.55 -0.12 0.00 -1.81 0.00 0.00 61.98 56.98 2eik s VAL 92 Cb -0.28 -2.52 0.22 0.00 0.56 0.00 0.00 36.38 34.36 2eik s VAL 92 CO 0.34 -0.96 1.07 -2.16 -0.31 0.00 0.00 175.10 173.07 2eik s PRO 93 N -0.67 -0.06 0.36 4.82 0.04 -1.26 -2.91 135.00 135.32 2eik s PRO 93 Ca 0.23 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2eik s PRO 93 Cb -0.12 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2eik s PRO 93 CO -0.10 -3.18 0.00 0.72 0.04 0.00 0.00 177.00 174.48 2eik n HIS 94 N -4.55 -2.78 0.00 0.56 8.25 0.35 -4.78 115.22 112.28 2eik n HIS 94 Ca 0.06 1.45 0.00 0.00 -0.26 0.00 0.00 57.72 58.97 2eik n HIS 94 Cb 0.54 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 29.13 2eik n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2eik n GLN 95 N -3.69 0.00 0.00 -0.41 3.00 -1.26 -4.84 117.38 110.18 2eik n GLN 95 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2eik n GLN 95 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.88 2eik n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2eik n LEU 96 N 0.00 0.00 -4.61 1.08 0.00 -1.26 -4.65 117.00 107.55 2eik n LEU 96 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.59 2eik n LEU 96 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.38 2eik n LEU 96 CO 0.00 0.00 0.75 0.00 0.00 0.00 0.00 177.39 178.14 2eik s ALA 97 N -0.94 3.45 -2.00 1.96 0.00 -1.26 -5.11 121.76 117.86 2eik s ALA 97 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.59 2eik s ALA 97 Cb 0.00 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.69 2eik s ALA 97 CO 0.00 -1.48 0.56 0.72 0.00 0.00 0.00 175.76 175.56