#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ein s SER 2 N 0.00 -0.01 0.00 0.00 1.04 -1.26 -5.18 113.70 108.30 2ein s SER 2 Ca 0.00 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.49 2ein s SER 2 Cb 0.00 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.79 2ein s SER 2 CO 0.00 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2ein n GLY 3 N -0.44 -0.58 0.00 7.32 0.00 -1.26 -5.19 105.19 105.05 2ein n GLY 3 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2ein n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ein n GLY 4 N 0.00 5.38 0.00 -0.02 0.00 -1.26 -5.02 105.19 104.26 2ein n GLY 4 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2ein n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ein n GLY 5 N 0.00 1.04 3.17 -0.02 0.00 -1.26 -5.08 105.19 103.04 2ein n GLY 5 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ein n GLY 5 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ein s VAL 6 N -2.00 2.68 0.67 1.61 1.01 -1.26 -5.10 120.40 118.00 2ein s VAL 6 Ca 0.00 -1.15 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 2ein s VAL 6 Cb 0.00 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 2ein s VAL 6 CO 0.00 0.17 0.52 -0.81 0.00 0.00 0.00 175.10 174.98 2ein n PRO 7 N 4.62 0.39 -3.60 2.72 -0.04 -1.26 -5.02 135.00 132.80 2ein n PRO 7 Ca -0.16 0.17 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 2ein n PRO 7 Cb 0.46 -1.78 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 2ein n PRO 7 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ein s THR 8 N -1.83 2.40 0.08 0.52 -4.23 -1.26 -4.99 115.64 106.34 2ein s THR 8 Ca 0.67 -1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 59.58 2ein s THR 8 Cb -0.38 -2.76 -0.16 0.00 1.34 0.00 0.00 72.50 70.54 2ein s THR 8 CO 0.57 0.00 1.70 0.44 -0.54 0.00 0.00 174.62 176.78 2ein h ASP 9 N 0.91 -0.09 -0.79 3.99 3.32 -1.97 -1.64 116.42 120.14 2ein h ASP 9 Ca -0.40 -0.02 0.18 0.00 0.02 0.00 0.00 57.03 56.81 2ein h ASP 9 Cb 1.28 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 2ein h ASP 9 CO 0.56 -0.04 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.88 2ein h GLU 10 N -0.14 0.05 0.00 3.56 4.57 -1.96 0.46 114.58 121.13 2ein h GLU 10 Ca -0.01 -0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2ein h GLU 10 Cb 0.11 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2ein h GLU 10 CO 0.02 0.03 -0.51 0.93 -1.18 0.00 0.00 179.01 178.30 2ein h GLU 11 N 0.05 0.00 0.00 1.92 5.08 -1.92 -3.39 114.58 116.32 2ein h GLU 11 Ca 0.42 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.75 2ein h GLU 11 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2ein h GLU 11 CO -0.76 0.51 -1.24 0.94 -1.00 0.00 0.00 179.01 177.47 2ein n GLN 12 N -3.33 1.42 -1.59 2.33 7.27 -0.63 -4.96 117.38 117.89 2ein n GLN 12 Ca 0.01 -0.03 -0.44 0.00 0.07 0.00 0.00 57.00 56.62 2ein n GLN 12 Cb 0.68 -1.11 -0.01 0.00 2.41 0.00 0.00 30.24 32.22 2ein n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2ein n ALA 13 N -1.86 -0.16 -3.00 1.69 0.00 0.16 -4.96 120.51 112.39 2ein n ALA 13 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2ein n ALA 13 Cb 0.33 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2ein n ALA 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2ein n THR 14 N -0.01 0.00 0.00 0.00 5.66 -1.26 -4.77 114.28 113.89 2ein n THR 14 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2ein n THR 14 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 2ein n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2ein n GLY 15 N 0.00 0.84 0.28 1.09 0.00 -1.26 -0.90 105.19 105.24 2ein n GLY 15 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 46.02 45.60 2ein n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ein h LEU 16 N 0.00 0.00 -0.59 0.99 5.85 -2.00 -1.85 115.31 117.72 2ein h LEU 16 Ca 0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 2ein h LEU 16 Cb 0.00 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2ein h LEU 16 CO 0.00 0.07 -0.70 1.05 -0.34 0.00 0.00 178.44 178.52 2ein h GLU 17 N 0.00 0.03 -0.12 1.25 4.11 -1.94 -1.93 114.58 115.98 2ein h GLU 17 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 2ein h GLU 17 Cb 0.19 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ein h GLU 17 CO 0.01 0.72 -0.00 -0.09 0.07 0.00 0.00 179.01 179.71 2ein h ARG 18 N 0.02 0.21 -0.86 1.06 2.43 -0.17 -1.08 114.38 115.99 2ein h ARG 18 Ca -0.01 -0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2ein h ARG 18 Cb 1.24 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.71 2ein h ARG 18 CO 0.09 0.47 0.51 0.93 -1.51 0.00 0.00 179.97 180.46 2ein h GLU 19 N -0.06 0.85 -0.56 0.20 5.08 -1.42 0.19 114.58 118.86 2ein h GLU 19 Ca 0.03 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2ein h GLU 19 Cb 0.38 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2ein h GLU 19 CO 0.01 0.57 0.12 0.28 -1.00 0.00 0.00 179.01 178.98 2ein h VAL 20 N 0.88 1.25 -0.47 3.13 2.07 -1.16 -0.94 116.25 121.02 2ein h VAL 20 Ca 0.40 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2ein h VAL 20 Cb 0.30 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2ein h VAL 20 CO -0.22 0.34 0.05 -0.03 0.02 0.00 0.00 177.57 177.73 2ein h MET 21 N 0.81 0.79 0.15 1.57 1.85 -0.08 -0.35 114.93 119.67 2ein h MET 21 Ca 0.17 -0.22 -0.01 0.00 -0.61 0.00 0.00 59.70 59.03 2ein h MET 21 Cb 0.37 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.32 2ein h MET 21 CO 0.01 0.81 -0.07 -0.07 -0.40 0.00 0.00 176.91 177.19 2ein h LEU 22 N 0.65 -0.17 -2.40 3.39 3.38 -0.56 -2.31 115.31 117.29 2ein h LEU 22 Ca 0.14 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2ein h LEU 22 Cb 0.42 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2ein h LEU 22 CO 0.01 0.19 -0.02 0.00 0.09 0.00 0.00 178.44 178.71 2ein h ALA 23 N 0.22 1.47 0.00 1.53 0.00 -1.17 0.75 119.26 122.06 2ein h ALA 23 Ca -0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2ein h ALA 23 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ein h ALA 23 CO 0.03 0.02 -0.26 0.00 0.00 0.00 0.00 179.25 179.05 2ein h ALA 24 N 1.98 0.85 0.00 0.00 0.00 -0.85 0.89 119.26 122.14 2ein h ALA 24 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2ein h ALA 24 Cb 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ein h ALA 24 CO 0.00 0.32 -0.72 -0.09 0.00 0.00 0.00 179.25 178.77 2ein h ARG 25 N 0.00 0.00 -0.19 0.00 2.43 -0.28 -3.19 114.38 113.15 2ein h ARG 25 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ein h ARG 25 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2ein h ARG 25 CO 0.03 0.72 0.00 1.63 -1.51 0.00 0.00 179.97 180.84 2ein n LYS 26 N -3.33 1.67 -1.92 0.20 5.02 -1.07 -4.92 118.16 113.81 2ein n LYS 26 Ca 0.01 -1.01 -0.10 0.00 -2.02 0.00 0.00 58.31 55.18 2ein n LYS 26 Cb 0.80 -1.34 -0.02 0.00 -0.02 0.00 0.00 35.03 34.45 2ein n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ein n GLY 27 N 1.07 0.32 3.79 0.72 0.00 -1.17 -5.02 105.19 104.90 2ein n GLY 27 Ca 0.14 -0.49 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2ein n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ein s GLN 28 N -4.01 2.72 -0.42 1.61 -0.21 0.30 -5.03 119.66 114.62 2ein s GLN 28 Ca 0.00 -1.22 0.09 0.00 0.02 0.00 0.00 55.36 54.25 2ein s GLN 28 Cb 0.00 -2.44 0.30 0.00 1.00 0.00 0.00 33.01 31.88 2ein s GLN 28 CO 0.00 0.29 0.68 -3.47 -2.12 0.00 0.00 175.29 170.66 2ein n ASP 29 N -1.18 1.20 0.05 5.90 2.03 -1.26 -4.15 116.55 119.13 2ein n ASP 29 Ca -0.06 -3.00 -0.00 0.00 0.52 0.00 0.00 54.79 52.26 2ein n ASP 29 Cb 0.59 -0.63 0.30 0.00 -0.72 0.00 0.00 41.12 40.66 2ein n ASP 29 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ein h PRO 30 N 3.47 0.40 -1.00 -0.67 0.13 -1.97 -3.16 132.00 129.20 2ein h PRO 30 Ca 0.10 -0.11 -0.67 0.00 -0.87 0.00 0.00 66.00 64.46 2ein h PRO 30 Cb 0.86 -0.05 -0.31 0.00 0.13 0.00 0.00 31.00 31.64 2ein h PRO 30 CO 0.55 0.53 0.66 0.66 -0.23 0.00 0.00 178.00 180.17 2ein n TYR 31 N -4.23 3.17 -3.70 1.56 4.02 -1.26 -4.95 117.16 111.78 2ein n TYR 31 Ca 0.00 -2.91 -0.20 0.00 -0.01 0.00 0.00 57.90 54.77 2ein n TYR 31 Cb 0.30 -1.30 -0.06 0.00 -0.02 0.00 0.00 39.34 38.26 2ein n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2ein n ASN 32 N -0.88 0.56 0.10 7.72 3.02 -1.20 -4.87 115.26 119.72 2ein n ASN 32 Ca 0.60 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 2ein n ASN 32 Cb 0.69 -1.04 -0.02 0.00 -0.61 0.00 0.00 39.78 38.80 2ein n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2ein h ILE 33 N -0.82 0.92 -2.35 2.41 2.04 -1.92 -3.46 117.51 114.33 2ein h ILE 33 Ca -0.43 -2.36 -0.52 0.00 1.00 0.00 0.00 64.86 62.54 2ein h ILE 33 Cb 0.92 2.41 -0.05 0.00 -0.74 0.00 0.00 36.82 39.35 2ein h ILE 33 CO 0.46 0.52 -0.53 -0.76 0.00 0.00 0.00 178.15 177.85 2ein s LEU 34 N -6.36 3.86 -0.19 1.44 1.43 -1.26 -5.07 118.68 112.53 2ein s LEU 34 Ca 0.02 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 2ein s LEU 34 Cb 0.08 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2ein s LEU 34 CO 0.77 -0.01 0.68 0.00 0.23 0.00 0.00 176.35 178.03 2ein s ALA 35 N -2.01 3.54 0.22 4.21 0.00 -1.26 -5.01 121.76 121.45 2ein s ALA 35 Ca 0.32 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2ein s ALA 35 Cb -0.09 -3.04 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 2ein s ALA 35 CO 0.25 -0.58 1.58 -1.25 0.00 0.00 0.00 175.76 175.76 2ein s PRO 36 N 1.96 4.18 0.06 0.00 0.04 -1.26 -4.99 135.00 135.00 2ein s PRO 36 Ca 0.31 2.45 -0.30 0.00 0.04 0.00 0.00 61.00 63.50 2ein s PRO 36 Cb -0.16 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.24 2ein s PRO 36 CO 0.11 -0.60 1.05 0.21 0.04 0.00 0.00 177.00 177.81 2ein s LYS 37 N 0.39 4.56 0.37 4.56 2.47 -1.26 -5.02 119.74 125.81 2ein s LYS 37 Ca 0.67 1.56 -0.24 0.00 -1.56 0.00 0.00 55.97 56.40 2ein s LYS 37 Cb -0.46 -3.39 -0.10 0.00 -1.46 0.00 0.00 37.83 32.43 2ein s LYS 37 CO 0.38 -0.03 0.96 0.00 0.16 0.00 0.00 175.35 176.82 2ein s ALA 38 N 0.64 3.14 0.85 3.13 0.00 -1.26 -5.02 121.76 123.24 2ein s ALA 38 Ca 0.52 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2ein s ALA 38 Cb -0.25 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2ein s ALA 38 CO 0.30 0.11 0.00 0.25 0.00 0.00 0.00 175.76 176.42 2ein n THR 39 N 0.09 0.00 1.07 0.00 -2.24 -1.26 -4.94 114.28 107.00 2ein n THR 39 Ca 0.04 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.94 2ein n THR 39 Cb 0.51 -0.45 0.28 0.00 -2.10 0.00 0.00 70.33 68.57 2ein n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2ein n SER 40 N 0.00 0.66 -2.24 3.42 3.41 -1.25 -4.94 113.62 112.68 2ein n SER 40 Ca 0.00 -0.44 -0.17 0.00 -0.26 0.00 0.00 58.87 57.99 2ein n SER 40 Cb 0.00 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2ein n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ein n GLY 41 N 1.45 -0.07 3.94 5.00 0.00 -0.85 -4.94 105.19 109.72 2ein n GLY 41 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 2ein n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ein s THR 42 N -2.79 2.40 0.30 2.61 -4.23 -1.00 -1.33 115.64 111.59 2ein s THR 42 Ca 0.00 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2ein s THR 42 Cb 0.00 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 71.12 2ein s THR 42 CO 0.00 -0.01 1.88 0.50 -0.54 0.00 0.00 174.62 176.45 2ein h LYS 43 N -0.41 0.97 -0.01 3.99 3.64 -1.95 -2.62 116.57 120.18 2ein h LYS 43 Ca -0.44 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 58.70 2ein h LYS 43 Cb 1.31 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2ein h LYS 43 CO 0.58 0.64 -0.71 0.93 -2.27 0.00 0.00 179.45 178.62 2ein h GLU 44 N 1.00 0.50 -2.69 1.90 3.07 -2.01 -3.38 114.58 112.98 2ein h GLU 44 Ca 0.44 -0.52 -0.63 0.00 -0.50 0.00 0.00 59.36 58.14 2ein h GLU 44 Cb 0.34 0.15 -0.40 0.00 -0.84 0.00 0.00 28.75 28.00 2ein h GLU 44 CO -0.19 1.16 -0.42 -3.47 -1.40 0.00 0.00 179.01 174.68 2ein n ASP 45 N -4.12 3.77 -4.54 1.42 4.64 -1.09 -5.09 116.55 111.53 2ein n ASP 45 Ca -0.10 -3.33 -0.29 0.00 -1.38 0.00 0.00 54.79 49.69 2ein n ASP 45 Cb 0.72 -0.79 0.15 0.00 -1.04 0.00 0.00 41.12 40.16 2ein n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2ein s PRO 46 N -2.03 0.84 -0.18 -0.67 0.04 -1.01 -2.01 135.00 129.97 2ein s PRO 46 Ca 0.33 0.08 -0.23 0.00 0.04 0.00 0.00 61.00 61.22 2ein s PRO 46 Cb 0.05 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2ein s PRO 46 CO -0.07 -2.36 0.71 -0.80 0.04 0.00 0.00 177.00 174.52 2ein s ASN 47 N -4.26 6.80 -0.50 6.66 0.01 -0.29 -4.73 114.94 118.63 2ein s ASN 47 Ca 0.67 0.97 -0.24 0.00 -0.71 0.00 0.00 52.86 53.54 2ein s ASN 47 Cb -0.11 -2.39 0.03 0.00 0.41 0.00 0.00 41.25 39.19 2ein s ASN 47 CO 0.53 -0.32 0.90 -0.76 -1.51 0.00 0.00 177.10 175.94 2ein s LEU 48 N 1.99 4.11 -0.55 0.60 2.01 -1.26 -0.12 118.68 125.46 2ein s LEU 48 Ca 0.33 -0.14 -0.19 0.00 0.01 0.00 0.00 54.13 54.14 2ein s LEU 48 Cb -0.16 -2.99 0.08 0.00 0.01 0.00 0.00 46.19 43.13 2ein s LEU 48 CO 0.11 -1.09 0.65 -0.69 1.01 0.00 0.00 176.35 176.33 2ein s VAL 49 N 3.73 4.88 1.34 -1.59 1.01 0.25 -4.95 120.40 125.06 2ein s VAL 49 Ca 0.33 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 2ein s VAL 49 Cb -0.12 -4.38 0.33 0.00 0.00 0.00 0.00 36.38 32.21 2ein s VAL 49 CO 0.22 -0.95 0.81 -2.65 0.00 0.00 0.00 175.10 172.54 2ein n PRO 50 N 6.17 -3.81 0.00 2.72 -0.02 -1.26 -1.57 135.00 137.23 2ein n PRO 50 Ca -0.08 -1.12 0.00 0.00 -2.02 0.00 0.00 63.50 60.28 2ein n PRO 50 Cb 0.44 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2ein n PRO 50 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ein n SER 51 N -4.91 0.00 -0.47 2.55 2.88 -1.25 -4.65 113.62 107.76 2ein n SER 51 Ca 0.09 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 2ein n SER 51 Cb 0.56 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.03 2ein n SER 51 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2ein n ILE 52 N -0.15 0.16 -3.36 2.46 -5.35 -1.26 -1.89 119.36 109.97 2ein n ILE 52 Ca 0.00 -0.20 -0.01 0.00 -0.27 0.00 0.00 62.75 62.26 2ein n ILE 52 Cb 0.00 0.44 -0.00 0.00 -1.74 0.00 0.00 39.64 38.34 2ein n ILE 52 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2ein n THR 53 N -0.12 0.00 0.49 7.28 -2.24 -1.26 -4.78 114.28 113.65 2ein n THR 53 Ca 0.01 -0.16 0.04 0.00 -2.27 0.00 0.00 64.05 61.68 2ein n THR 53 Cb 0.70 0.12 0.17 0.00 -2.10 0.00 0.00 70.33 69.21 2ein n THR 53 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2ein n ASN 54 N -1.58 2.56 -3.48 3.42 3.02 -1.26 -4.73 115.26 113.22 2ein n ASN 54 Ca -0.00 -2.23 -0.12 0.00 -0.03 0.00 0.00 54.58 52.19 2ein n ASN 54 Cb 0.07 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 2ein n ASN 54 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2ein s LYS 55 N -1.69 1.03 -0.12 3.52 -2.85 -1.26 0.61 119.74 118.98 2ein s LYS 55 Ca 0.24 -0.24 -0.27 0.00 -1.00 0.00 0.00 55.97 54.69 2ein s LYS 55 Cb 0.16 0.48 0.07 0.00 -2.06 0.00 0.00 37.83 36.47 2ein s LYS 55 CO 0.11 -0.42 0.65 0.50 0.10 0.00 0.00 175.35 176.29 2ein s ARG 56 N -2.90 0.94 0.03 1.78 3.52 -0.37 -4.82 118.95 117.13 2ein s ARG 56 Ca 0.00 0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 55.79 2ein s ARG 56 Cb -0.01 0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 33.79 2ein s ARG 56 CO -0.07 -0.24 0.93 0.42 -0.81 0.00 0.00 175.30 175.54 2ein s ILE 57 N -0.65 4.76 -0.01 4.11 1.01 -1.26 0.76 121.20 129.92 2ein s ILE 57 Ca -0.07 1.97 0.03 0.00 0.00 0.00 0.00 60.65 62.58 2ein s ILE 57 Cb -0.02 -4.28 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 2ein s ILE 57 CO 0.06 0.23 -0.08 -0.69 0.00 0.00 0.00 174.94 174.47 2ein s VAL 58 N 0.59 3.59 -0.20 2.92 1.01 0.42 -4.91 120.40 123.82 2ein s VAL 58 Ca 0.48 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2ein s VAL 58 Cb -0.21 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.66 2ein s VAL 58 CO 0.27 0.45 -0.14 -0.83 0.00 0.00 0.00 175.10 174.85 2ein s GLY 59 N -1.24 1.49 -0.37 4.51 0.00 -1.26 -1.89 107.32 108.56 2ein s GLY 59 Ca 0.16 -1.27 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 2ein s GLY 59 CO 0.06 0.37 0.19 0.00 0.00 0.00 0.00 173.10 173.71 2ein n ILE 61 N 4.96 4.53 -0.16 0.00 5.41 -1.26 -2.37 119.36 130.46 2ein n ILE 61 Ca -0.12 -4.83 -0.04 0.00 1.00 0.00 0.00 62.75 58.76 2ein n ILE 61 Cb 0.45 -2.35 -0.04 0.00 -0.71 0.00 0.00 39.64 37.00 2ein n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2ein s GLU 63 N -4.92 1.74 0.35 0.00 2.02 -1.26 -5.05 118.70 111.59 2ein s GLU 63 Ca -0.05 -1.21 -0.28 0.00 0.02 0.00 0.00 54.97 53.45 2ein s GLU 63 Cb 0.04 -2.08 -0.11 0.00 0.10 0.00 0.00 34.13 32.08 2ein s GLU 63 CO 0.24 0.47 1.50 -1.91 0.02 0.00 0.00 175.26 175.58 2ein n GLU 64 N 0.77 2.64 -1.07 1.61 2.13 -1.26 -2.21 120.64 123.24 2ein n GLU 64 Ca -0.16 0.93 -0.02 0.00 0.66 0.00 0.00 57.16 58.57 2ein n GLU 64 Cb 0.53 -2.66 -0.01 0.00 0.27 0.00 0.00 31.44 29.57 2ein n GLU 64 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ein n ASP 65 N 0.88 -3.33 -4.82 4.31 10.43 -1.26 -5.02 116.55 117.74 2ein n ASP 65 Ca 0.03 0.06 -0.35 0.00 2.57 0.00 0.00 54.79 57.10 2ein n ASP 65 Cb 0.38 -1.02 -0.06 0.00 1.84 0.00 0.00 41.12 42.25 2ein n ASP 65 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2ein s ASN 66 N -2.83 7.01 0.01 -2.24 -0.87 -0.94 -4.97 114.94 110.12 2ein s ASN 66 Ca 0.00 1.44 0.20 0.00 -1.57 0.00 0.00 52.86 52.92 2ein s ASN 66 Cb 0.00 -2.43 -0.20 0.00 -0.02 0.00 0.00 41.25 38.61 2ein s ASN 66 CO 0.00 -0.05 0.62 -1.54 -2.57 0.00 0.00 177.10 173.56 2ein n SER 67 N 0.40 0.44 -4.69 -1.22 3.41 -1.26 -4.88 113.62 105.82 2ein n SER 67 Ca -0.00 0.18 -0.39 0.00 -0.26 0.00 0.00 58.87 58.41 2ein n SER 67 Cb 0.52 0.93 -0.06 0.00 -0.26 0.00 0.00 64.21 65.33 2ein n SER 67 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2ein s THR 68 N -3.11 5.13 -0.14 6.66 2.01 -1.26 -5.06 115.64 119.88 2ein s THR 68 Ca -0.05 0.97 -0.05 0.00 0.31 0.00 0.00 61.69 62.87 2ein s THR 68 Cb 0.10 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2ein s THR 68 CO 0.84 0.23 0.02 -0.69 -0.69 0.00 0.00 174.62 174.34 2ein s VAL 69 N 1.23 4.48 -0.22 3.82 1.01 -1.26 -4.76 120.40 124.69 2ein s VAL 69 Ca 0.25 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2ein s VAL 69 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 2ein s VAL 69 CO 0.10 0.53 0.43 -0.63 0.00 0.00 0.00 175.10 175.53 2ein s ILE 70 N -0.16 5.16 -0.01 2.22 -1.09 -1.00 -4.87 121.20 121.44 2ein s ILE 70 Ca 0.06 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 2ein s ILE 70 Cb -0.12 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2ein s ILE 70 CO 0.02 0.19 -0.05 0.26 -1.23 0.00 0.00 174.94 174.13 2ein s TRP 71 N 1.66 2.94 -0.15 3.97 0.52 -1.26 0.98 118.94 127.61 2ein s TRP 71 Ca 0.20 0.01 -0.30 0.00 0.02 0.00 0.00 56.10 56.02 2ein s TRP 71 Cb -0.15 -1.65 0.12 0.00 -1.15 0.00 0.00 33.47 30.65 2ein s TRP 71 CO 0.09 0.39 0.98 -0.59 0.02 0.00 0.00 176.95 177.84 2ein s PHE 72 N -0.98 -0.37 0.12 -1.98 -0.12 -0.79 -4.99 117.98 108.86 2ein s PHE 72 Ca 0.17 0.61 -0.30 0.00 -0.05 0.00 0.00 56.93 57.36 2ein s PHE 72 Cb -0.11 0.46 -0.06 0.00 -0.63 0.00 0.00 43.02 42.67 2ein s PHE 72 CO 0.07 -0.36 1.05 -1.58 -0.05 0.00 0.00 175.22 174.35 2ein s TRP 73 N -1.26 3.66 -0.34 3.49 0.52 -1.26 -0.43 118.94 123.31 2ein s TRP 73 Ca -0.01 1.64 -0.12 0.00 0.02 0.00 0.00 56.10 57.63 2ein s TRP 73 Cb -0.00 -3.20 -0.01 0.00 -1.15 0.00 0.00 33.47 29.11 2ein s TRP 73 CO 0.01 -0.34 0.22 -1.17 0.02 0.00 0.00 176.95 175.68 2ein s LEU 74 N 0.13 4.44 0.18 2.99 2.96 0.23 -4.90 118.68 124.71 2ein s LEU 74 Ca 0.50 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2ein s LEU 74 Cb -0.26 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.27 2ein s LEU 74 CO 0.31 -0.24 0.44 -1.00 -1.32 0.00 0.00 176.35 174.54 2ein s HIS 75 N 1.68 3.46 0.31 5.38 3.76 -1.26 -1.23 115.29 127.39 2ein s HIS 75 Ca 0.05 0.62 -0.29 0.00 -0.15 0.00 0.00 55.06 55.29 2ein s HIS 75 Cb -0.17 -2.06 -0.11 0.00 1.11 0.00 0.00 32.58 31.35 2ein s HIS 75 CO 0.09 0.36 1.51 0.21 -0.85 0.00 0.00 174.74 176.06 2ein s LYS 76 N -2.85 4.17 0.00 1.40 2.20 0.20 -4.52 119.74 120.35 2ein s LYS 76 Ca 0.43 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.52 2ein s LYS 76 Cb -0.12 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2ein s LYS 76 CO 0.25 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 2ein n GLY 77 N 1.60 0.37 3.77 5.54 0.00 -1.26 -5.05 105.19 110.16 2ein n GLY 77 Ca 0.05 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2ein n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ein s GLU 78 N -1.15 4.02 0.25 1.61 2.12 -1.26 -4.75 118.70 119.53 2ein s GLU 78 Ca 0.00 2.04 -0.31 0.00 0.36 0.00 0.00 54.97 57.05 2ein s GLU 78 Cb 0.00 -2.75 -0.12 0.00 0.26 0.00 0.00 34.13 31.52 2ein s GLU 78 CO 0.00 -0.41 1.60 0.00 -0.54 0.00 0.00 175.26 175.91 2ein n ALA 79 N 0.15 2.23 -2.93 6.30 0.00 -1.26 -4.93 120.51 120.07 2ein n ALA 79 Ca 0.04 0.40 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 2ein n ALA 79 Cb 0.45 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 2ein n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2ein s GLN 80 N 0.13 3.32 0.04 0.00 -0.21 -0.71 -4.88 119.66 117.36 2ein s GLN 80 Ca 0.69 -0.77 0.05 0.00 0.02 0.00 0.00 55.36 55.35 2ein s GLN 80 Cb -0.55 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 2ein s GLN 80 CO 0.43 0.45 -0.08 1.03 -2.12 0.00 0.00 175.29 175.00 2ein s ARG 81 N -3.71 2.40 0.11 2.91 0.52 -1.26 -0.49 118.95 119.43 2ein s ARG 81 Ca 0.34 -0.83 -0.31 0.00 -0.52 0.00 0.00 55.73 54.41 2ein s ARG 81 Cb -0.09 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.87 2ein s ARG 81 CO 0.28 0.57 1.50 0.00 0.02 0.00 0.00 175.30 177.67 2ein h PRO 83 N 7.24 0.00 0.00 0.00 0.11 -1.95 0.36 132.00 137.75 2ein h PRO 83 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ein h PRO 83 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2ein h PRO 83 CO 0.90 0.00 -0.00 0.45 -0.21 0.00 0.00 178.00 179.14 2ein n SER 84 N -2.52 0.01 0.05 -2.05 2.88 -1.26 -4.75 113.62 105.98 2ein n SER 84 Ca -0.02 0.15 0.11 0.00 -1.33 0.00 0.00 58.87 57.78 2ein n SER 84 Cb 0.18 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.11 2ein n SER 84 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ein n GLY 86 N 1.25 0.64 3.75 0.00 0.00 0.13 -4.95 105.19 106.01 2ein n GLY 86 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2ein n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ein s THR 87 N -2.34 2.54 0.05 2.61 -4.23 -1.26 -4.27 115.64 108.74 2ein s THR 87 Ca 0.00 0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.69 2ein s THR 87 Cb 0.00 -3.06 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2ein s THR 87 CO 0.00 -0.09 0.45 -1.00 -0.54 0.00 0.00 174.62 173.44 2ein s HIS 88 N -1.68 3.68 -0.03 3.99 0.09 -0.44 -0.80 115.29 120.11 2ein s HIS 88 Ca 0.77 0.99 0.02 0.00 -0.00 0.00 0.00 55.06 56.83 2ein s HIS 88 Cb -0.30 -2.29 0.01 0.00 -0.00 0.00 0.00 32.58 29.99 2ein s HIS 88 CO 0.36 0.58 -0.06 0.71 -0.00 0.00 0.00 174.74 176.33 2ein s TYR 89 N -1.22 0.72 -0.05 1.40 2.02 0.36 -1.14 117.35 119.44 2ein s TYR 89 Ca 0.29 -0.18 0.03 0.00 -0.37 0.00 0.00 57.07 56.84 2ein s TYR 89 Cb -0.16 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 2ein s TYR 89 CO 0.16 -0.12 -0.12 0.21 -1.57 0.00 0.00 175.55 174.11 2ein s LYS 90 N 0.47 1.51 0.28 -0.62 2.20 0.83 -1.73 119.74 122.68 2ein s LYS 90 Ca -0.06 -0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 2ein s LYS 90 Cb -0.10 -1.29 -0.10 0.00 -1.51 0.00 0.00 37.83 34.83 2ein s LYS 90 CO 0.00 0.08 1.17 -1.17 -0.36 0.00 0.00 175.35 175.06 2ein s LEU 91 N 0.47 4.51 -0.47 5.43 2.96 -1.26 -0.58 118.68 129.74 2ein s LEU 91 Ca -0.10 2.38 0.07 0.00 -0.22 0.00 0.00 54.13 56.26 2ein s LEU 91 Cb -0.14 -3.63 0.25 0.00 0.50 0.00 0.00 46.19 43.18 2ein s LEU 91 CO 0.03 -0.27 0.60 1.33 -1.32 0.00 0.00 176.35 176.72 2ein n VAL 92 N 1.21 0.36 -0.64 1.68 0.24 -0.61 -4.78 118.33 115.80 2ein n VAL 92 Ca -0.00 -4.44 -0.12 0.00 -2.04 0.00 0.00 64.34 57.74 2ein n VAL 92 Cb 0.44 -1.97 0.01 0.00 -1.47 0.00 0.00 33.84 30.85 2ein n VAL 92 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ein n PRO 93 N 1.19 0.00 0.00 7.34 -0.04 -1.26 -3.96 135.00 138.26 2ein n PRO 93 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2ein n PRO 93 Cb 0.49 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.20 2ein n PRO 93 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2ein n HIS 94 N -2.41 -0.86 0.00 0.54 8.25 -0.79 -4.64 115.22 115.31 2ein n HIS 94 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2ein n HIS 94 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2ein n HIS 94 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2ein n GLN 95 N -0.19 0.00 0.00 -0.41 3.00 -1.26 -4.85 117.38 113.67 2ein n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ein n GLN 95 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2ein n GLN 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2ein n LEU 96 N 0.00 0.00 -4.57 1.08 0.00 -1.26 -4.50 117.00 107.75 2ein n LEU 96 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 56.01 55.58 2ein n LEU 96 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 2ein n LEU 96 CO 0.00 0.00 0.98 0.00 0.00 0.00 0.00 177.39 178.37 2ein s ALA 97 N -1.00 3.08 -1.18 1.96 0.00 -1.26 -5.13 121.76 118.23 2ein s ALA 97 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2ein s ALA 97 Cb 0.00 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.21 2ein s ALA 97 CO 0.00 -2.46 0.30 0.72 0.00 0.00 0.00 175.76 174.31