#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2u n GLU 14 N 0.00 -0.91 -1.86 -4.13 4.07 -1.26 -4.57 120.64 111.98 2b2u n GLU 14 Ca 0.00 1.05 -0.31 0.00 -0.06 0.00 0.00 57.16 57.84 2b2u n GLU 14 Cb 0.00 -4.19 0.01 0.00 -0.06 0.00 0.00 31.44 27.21 2b2u n GLU 14 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2b2u s THR 15 N -3.03 4.57 -0.13 6.31 -1.32 -1.26 -3.50 115.64 117.28 2b2u s THR 15 Ca 0.04 0.84 -0.18 0.00 -1.21 0.00 0.00 61.69 61.17 2b2u s THR 15 Cb -0.01 -3.82 -0.04 0.00 -1.51 0.00 0.00 72.50 67.13 2b2u s THR 15 CO 0.47 -1.09 0.49 -0.63 -2.21 0.00 0.00 174.62 171.65 2b2u s ILE 16 N -3.19 5.17 -0.14 5.08 -1.09 -0.28 -2.83 121.20 123.92 2b2u s ILE 16 Ca 0.55 0.96 0.17 0.00 -2.23 0.00 0.00 60.65 60.11 2b2u s ILE 16 Cb -0.11 -3.83 -0.24 0.00 -1.58 0.00 0.00 42.46 36.70 2b2u s ILE 16 CO 0.54 0.30 0.32 1.21 -1.23 0.00 0.00 174.94 176.08 2b2u n GLU 17 N 3.86 0.67 -3.65 2.79 2.13 -0.97 -4.79 120.64 120.68 2b2u n GLU 17 Ca -0.07 0.06 -0.02 0.00 0.66 0.00 0.00 57.16 57.79 2b2u n GLU 17 Cb 0.51 -1.61 -0.07 0.00 0.27 0.00 0.00 31.44 30.55 2b2u n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2b2u s ARG 18 N -2.67 0.02 -0.23 5.31 3.52 -1.16 -5.00 118.95 118.74 2b2u s ARG 18 Ca -0.08 0.02 -0.21 0.00 -0.13 0.00 0.00 55.73 55.33 2b2u s ARG 18 Cb 0.08 0.01 -0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2b2u s ARG 18 CO 0.84 -0.00 0.67 -0.06 -0.81 0.00 0.00 175.30 175.93 2b2u s PHE 19 N -0.14 3.32 -0.13 5.12 2.99 -1.26 -1.88 117.98 126.00 2b2u s PHE 19 Ca 0.08 0.92 -0.03 0.00 0.00 0.00 0.00 56.93 57.90 2b2u s PHE 19 Cb -0.04 -2.87 -0.25 0.00 0.00 0.00 0.00 43.02 39.86 2b2u s PHE 19 CO -0.15 -0.29 0.30 -1.33 -0.00 0.00 0.00 175.22 173.74 2b2u n MET 20 N 5.56 0.73 -3.09 0.44 2.81 0.19 -4.97 117.12 118.79 2b2u n MET 20 Ca 0.00 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.04 2b2u n MET 20 Cb 0.49 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 2b2u n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2b2u n ASP 21 N -3.40 -0.80 -3.69 7.83 -0.08 -1.22 -4.97 116.55 110.23 2b2u n ASP 21 Ca -0.33 -2.19 -0.11 0.00 -1.51 0.00 0.00 54.79 50.65 2b2u n ASP 21 Cb 1.04 1.51 -0.06 0.00 2.34 0.00 0.00 41.12 45.96 2b2u n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2b2u s ARG 23 N -3.36 0.37 -0.26 0.00 1.70 0.89 -4.94 118.95 113.35 2b2u s ARG 23 Ca 0.00 -0.18 -0.09 0.00 -0.47 0.00 0.00 55.73 55.00 2b2u s ARG 23 Cb 0.01 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 2b2u s ARG 23 CO -0.09 -0.17 0.11 0.42 -1.08 0.00 0.00 175.30 174.50 2b2u s ILE 24 N -2.44 4.66 0.16 4.99 1.09 -1.26 0.16 121.20 128.56 2b2u s ILE 24 Ca 0.12 -0.07 -0.06 0.00 -1.10 0.00 0.00 60.65 59.53 2b2u s ILE 24 Cb 0.02 -3.20 -0.02 0.00 -1.06 0.00 0.00 42.46 38.20 2b2u s ILE 24 CO -0.04 0.29 0.21 -0.83 -0.10 0.00 0.00 174.94 174.47 2b2u s GLY 25 N 1.66 0.68 0.09 6.18 0.00 -0.76 -4.90 107.32 110.27 2b2u s GLY 25 Ca 0.06 -1.10 -0.36 0.00 0.00 0.00 0.00 44.72 43.32 2b2u s GLY 25 CO 0.06 -1.02 1.02 -2.13 0.00 0.00 0.00 173.10 171.03 2b2u n ARG 26 N -0.18 0.39 -1.76 2.90 0.63 -1.26 -2.48 116.66 114.90 2b2u n ARG 26 Ca -0.06 0.14 -0.41 0.00 -0.92 0.00 0.00 57.85 56.60 2b2u n ARG 26 Cb 0.63 -1.56 0.01 0.00 0.45 0.00 0.00 32.46 31.99 2b2u n ARG 26 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2b2u n LYS 27 N 1.58 2.40 0.00 -0.14 0.00 -1.24 -1.54 118.16 119.21 2b2u n LYS 27 Ca 0.18 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.34 2b2u n LYS 27 Cb 0.16 -2.60 0.00 0.00 -0.00 0.00 0.00 35.03 32.59 2b2u n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b2u n GLY 28 N 0.56 3.15 2.23 2.58 0.00 -1.26 -4.89 105.19 107.55 2b2u n GLY 28 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 2b2u n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2u n ALA 29 N -0.75 4.50 -2.24 4.61 0.00 -0.59 -4.75 120.51 121.29 2b2u n ALA 29 Ca 0.00 -1.28 -0.14 0.00 0.00 0.00 0.00 53.44 52.02 2b2u n ALA 29 Cb 0.00 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 16.97 2b2u n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b2u s THR 30 N 1.90 0.92 0.00 0.00 -4.23 -1.26 -4.83 115.64 108.14 2b2u s THR 30 Ca 0.43 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2b2u s THR 30 Cb 0.19 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2b2u s THR 30 CO -0.00 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2b2u n GLY 31 N -0.20 -1.37 0.34 3.99 0.00 0.28 -4.46 105.19 103.77 2b2u n GLY 31 Ca -0.09 -1.74 0.14 0.00 0.00 0.00 0.00 46.02 44.34 2b2u n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2u h ALA 32 N 0.00 1.63 0.00 4.61 0.00 -1.98 -0.06 119.26 123.45 2b2u h ALA 32 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2b2u h ALA 32 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2b2u h ALA 32 CO 0.00 -0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.29 2b2u n THR 33 N -4.89 0.00 0.04 0.00 -2.24 -1.26 -2.61 114.28 103.31 2b2u n THR 33 Ca 0.24 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.05 2b2u n THR 33 Cb 0.65 -0.60 0.06 0.00 -2.10 0.00 0.00 70.33 68.34 2b2u n THR 33 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2b2u n THR 34 N -0.77 0.61 -1.73 4.28 -2.24 -0.04 -4.28 114.28 110.11 2b2u n THR 34 Ca 0.04 -0.81 -0.33 0.00 -2.27 0.00 0.00 64.05 60.69 2b2u n THR 34 Cb 0.02 0.74 0.05 0.00 -2.10 0.00 0.00 70.33 69.04 2b2u n THR 34 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2b2u s THR 35 N -0.80 3.29 0.29 4.28 -4.23 -1.07 -4.73 115.64 112.67 2b2u s THR 35 Ca 0.10 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 2b2u s THR 35 Cb 0.06 -3.11 0.25 0.00 1.34 0.00 0.00 72.50 71.04 2b2u s THR 35 CO 0.08 -0.39 1.95 0.40 -0.54 0.00 0.00 174.62 176.12 2b2u h ILE 36 N -0.04 1.22 0.00 2.99 2.04 -1.82 0.14 117.51 122.03 2b2u h ILE 36 Ca -0.46 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 2b2u h ILE 36 Cb 1.24 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2b2u h ILE 36 CO 0.54 0.22 -0.29 0.10 0.00 0.00 0.00 178.15 178.72 2b2u h TYR 37 N 1.12 0.00 0.15 1.37 -0.00 -1.92 0.28 116.97 117.98 2b2u h TYR 37 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 58.73 58.71 2b2u h TYR 37 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.65 2b2u h TYR 37 CO 0.00 0.29 -1.57 0.00 -0.00 0.00 0.00 178.16 176.89 2b2u h ALA 38 N 1.71 0.18 0.20 0.10 0.00 -1.66 -1.23 119.26 118.55 2b2u h ALA 38 Ca -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 54.91 53.82 2b2u h ALA 38 Cb 0.73 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2b2u h ALA 38 CO 0.04 1.05 -0.09 0.28 0.00 0.00 0.00 179.25 180.52 2b2u h VAL 39 N 0.09 0.88 -0.20 0.00 2.07 -0.58 0.35 116.25 118.86 2b2u h VAL 39 Ca -0.26 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2b2u h VAL 39 Cb 2.05 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 2b2u h VAL 39 CO 0.18 0.10 0.03 -0.33 0.02 0.00 0.00 177.57 177.57 2b2u h GLU 40 N -0.47 0.29 0.18 1.57 5.08 -1.04 1.01 114.58 121.19 2b2u h GLU 40 Ca -0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2b2u h GLU 40 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2b2u h GLU 40 CO 0.04 0.29 -0.09 0.00 -1.00 0.00 0.00 179.01 178.26 2b2u h ALA 41 N 1.75 -0.44 -0.45 3.43 0.00 -0.81 -3.39 119.26 119.36 2b2u h ALA 41 Ca 0.07 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 2b2u h ALA 41 Cb 0.15 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 2b2u h ALA 41 CO -0.00 -0.42 0.06 -0.25 0.00 0.00 0.00 179.25 178.64 2b2u n ASP 42 N -3.46 3.05 -0.01 0.00 8.00 0.12 -5.06 116.55 119.18 2b2u n ASP 42 Ca -0.03 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.89 2b2u n ASP 42 Cb 0.09 -0.65 -0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2b2u n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2u n GLY 43 N -0.96 -2.70 3.71 0.44 0.00 0.35 -4.91 105.19 101.13 2b2u n GLY 43 Ca 0.35 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 2b2u n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b2u s ASP 44 N -3.61 7.34 0.00 1.61 2.15 -1.25 -4.40 116.67 118.51 2b2u s ASP 44 Ca 0.00 1.70 0.29 0.00 0.43 0.00 0.00 52.55 54.97 2b2u s ASP 44 Cb 0.00 -2.57 1.27 0.00 -0.30 0.00 0.00 42.92 41.32 2b2u s ASP 44 CO 0.00 -0.29 1.92 -0.81 -0.17 0.00 0.00 175.17 175.82 2b2u n PRO 45 N 3.91 0.27 -0.23 4.34 -0.04 -1.26 -2.28 135.00 139.70 2b2u n PRO 45 Ca 0.06 -0.04 0.10 0.00 -0.04 0.00 0.00 63.50 63.58 2b2u n PRO 45 Cb 0.50 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 2b2u n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2b2u n ASN 46 N -1.33 2.88 -4.56 3.54 4.05 -1.26 -4.71 115.26 113.87 2b2u n ASN 46 Ca 0.11 -1.95 -0.39 0.00 0.45 0.00 0.00 54.58 52.79 2b2u n ASN 46 Cb 0.29 -0.30 0.03 0.00 1.23 0.00 0.00 39.78 41.03 2b2u n ASN 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b2u n ALA 47 N 1.08 -0.33 -0.83 5.20 0.00 -0.97 -1.73 120.51 122.94 2b2u n ALA 47 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2b2u n ALA 47 Cb 0.48 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.94 2b2u n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b2u n GLY 48 N 1.43 0.59 3.63 0.00 0.00 -1.26 -4.93 105.19 104.65 2b2u n GLY 48 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2b2u n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b2u s PHE 49 N -2.73 1.59 0.00 1.61 2.19 -0.70 -5.03 117.98 114.90 2b2u s PHE 49 Ca 0.00 0.86 0.00 0.00 0.33 0.00 0.00 56.93 58.12 2b2u s PHE 49 Cb 0.00 -3.29 0.00 0.00 -1.31 0.00 0.00 43.02 38.42 2b2u s PHE 49 CO 0.00 -3.30 0.00 -0.85 1.83 0.00 0.00 175.22 172.90 2b2u n GLU 50 N -4.44 0.00 -1.50 10.12 0.28 -1.26 -5.07 120.64 118.77 2b2u n GLU 50 Ca 0.07 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.94 2b2u n GLU 50 Cb 0.58 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.35 2b2u n GLU 50 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2b2u n LYS 51 N -0.40 0.16 0.00 3.44 2.85 -1.26 -2.68 118.16 120.27 2b2u n LYS 51 Ca 0.00 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 2b2u n LYS 51 Cb 0.00 -3.42 0.00 0.00 -0.65 0.00 0.00 35.03 30.96 2b2u n LYS 51 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2b2u n ASN 52 N 17.35 0.00 -4.88 -5.58 0.23 -1.26 -5.09 115.26 116.03 2b2u n ASN 52 Ca 0.38 -0.10 -0.32 0.00 -0.53 0.00 0.00 54.58 54.01 2b2u n ASN 52 Cb 0.46 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.10 2b2u n ASN 52 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2b2u s LYS 53 N 0.00 3.78 -1.00 -3.83 -0.14 -1.09 -5.02 119.74 112.44 2b2u s LYS 53 Ca 0.00 0.24 -0.02 0.00 -1.36 0.00 0.00 55.97 54.83 2b2u s LYS 53 Cb 0.00 -2.65 0.31 0.00 -1.68 0.00 0.00 37.83 33.80 2b2u s LYS 53 CO 0.00 0.31 1.45 0.39 -0.76 0.00 0.00 175.35 176.74 2b2u n GLU 54 N -0.20 4.40 0.00 1.68 4.71 -1.26 -4.28 120.64 125.69 2b2u n GLU 54 Ca 0.00 -4.61 0.00 0.00 -0.01 0.00 0.00 57.16 52.55 2b2u n GLU 54 Cb 0.52 -2.46 0.00 0.00 -1.01 0.00 0.00 31.44 28.49 2b2u n GLU 54 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2b2u n PRO 55 N 0.93 0.00 0.00 3.49 -0.04 -1.26 -4.92 135.00 133.20 2b2u n PRO 55 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2b2u n PRO 55 Cb 0.33 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2b2u n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b2u n GLY 56 N 3.22 0.00 3.11 0.55 0.00 -1.26 -3.70 105.19 107.11 2b2u n GLY 56 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2b2u n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2b2u s GLU 57 N 0.00 0.62 -0.18 1.61 2.02 -1.04 -4.84 118.70 116.89 2b2u s GLU 57 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 54.97 53.82 2b2u s GLU 57 Cb 0.00 0.23 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2b2u s GLU 57 CO 0.00 -0.14 0.33 0.42 0.02 0.00 0.00 175.26 175.89 2b2u s ILE 58 N -3.43 5.26 -0.03 -1.63 1.01 -1.26 -1.83 121.20 119.29 2b2u s ILE 58 Ca 0.02 0.60 0.05 0.00 0.00 0.00 0.00 60.65 61.33 2b2u s ILE 58 Cb 0.04 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.83 2b2u s ILE 58 CO -0.08 0.33 -0.20 -1.10 0.00 0.00 0.00 174.94 173.89 2b2u s GLN 59 N 0.87 1.85 -0.08 2.79 -0.21 0.12 -4.61 119.66 120.40 2b2u s GLN 59 Ca 0.17 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 54.87 2b2u s GLN 59 Cb -0.14 -1.67 -0.02 0.00 1.00 0.00 0.00 33.01 32.19 2b2u s GLN 59 CO 0.06 0.34 -0.14 0.71 -2.12 0.00 0.00 175.29 174.14 2b2u s TYR 60 N -0.19 2.74 -0.67 0.91 2.02 0.56 -0.07 117.35 122.64 2b2u s TYR 60 Ca 0.01 -0.36 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 2b2u s TYR 60 Cb -0.10 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 2b2u s TYR 60 CO 0.01 0.02 1.09 -1.17 -1.57 0.00 0.00 175.55 173.94 2b2u s LEU 61 N -0.29 3.84 -0.94 -1.29 2.96 -0.65 -1.11 118.68 121.19 2b2u s LEU 61 Ca 0.02 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.18 2b2u s LEU 61 Cb -0.13 -2.55 0.24 0.00 0.50 0.00 0.00 46.19 44.25 2b2u s LEU 61 CO 0.03 -1.57 0.89 0.27 -1.32 0.00 0.00 176.35 174.64 2b2u s ILE 62 N 4.74 5.48 0.10 6.68 -5.25 0.24 0.57 121.20 133.77 2b2u s ILE 62 Ca 0.29 -3.10 -0.36 0.00 -0.99 0.00 0.00 60.65 56.49 2b2u s ILE 62 Cb -0.13 -4.35 -0.16 0.00 2.95 0.00 0.00 42.46 40.77 2b2u s ILE 62 CO 0.14 -1.09 1.32 1.17 -1.79 0.00 0.00 174.94 174.69 2b2u n LYS 63 N 3.17 1.20 -3.90 0.37 4.81 -0.79 -4.08 118.16 118.95 2b2u n LYS 63 Ca 0.19 0.43 -0.30 0.00 -0.87 0.00 0.00 58.31 57.75 2b2u n LYS 63 Cb 0.42 -2.06 -0.04 0.00 0.02 0.00 0.00 35.03 33.37 2b2u n LYS 63 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2b2u s TRP 64 N 0.39 3.51 0.13 5.64 0.52 -1.26 -2.30 118.94 125.57 2b2u s TRP 64 Ca 0.82 0.25 -0.31 0.00 0.02 0.00 0.00 56.10 56.89 2b2u s TRP 64 Cb -0.92 -1.77 -0.08 0.00 -1.15 0.00 0.00 33.47 29.55 2b2u s TRP 64 CO 0.47 0.56 1.32 0.21 0.02 0.00 0.00 176.95 179.54 2b2u s LYS 65 N -2.64 4.37 0.00 4.98 2.20 -1.13 -2.61 119.74 124.91 2b2u s LYS 65 Ca 0.35 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.97 2b2u s LYS 65 Cb -0.13 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 2b2u s LYS 65 CO 0.28 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2b2u n GLY 66 N 3.07 0.77 2.91 5.54 0.00 -1.26 -4.80 105.19 111.42 2b2u n GLY 66 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2b2u n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b2u s TRP 67 N -2.83 0.19 0.87 1.61 0.52 -1.07 -5.15 118.94 113.07 2b2u s TRP 67 Ca 0.00 -0.09 -0.12 0.00 0.02 0.00 0.00 56.10 55.91 2b2u s TRP 67 Cb 0.00 -0.12 0.11 0.00 -1.15 0.00 0.00 33.47 32.31 2b2u s TRP 67 CO 0.00 -0.02 1.15 -1.54 0.02 0.00 0.00 176.95 176.56 2b2u s SER 68 N -0.21 3.92 0.51 2.95 1.04 -1.26 -4.49 113.70 116.15 2b2u s SER 68 Ca -0.01 0.93 0.28 0.00 0.48 0.00 0.00 55.95 57.63 2b2u s SER 68 Cb -0.02 -1.49 1.38 0.00 0.10 0.00 0.00 66.02 65.99 2b2u s SER 68 CO -0.00 -2.29 1.88 0.45 0.98 0.00 0.00 173.24 174.26 2b2u h HIS 69 N -1.32 0.14 -0.01 5.02 3.86 -2.00 -1.59 115.15 119.26 2b2u h HIS 69 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2b2u h HIS 69 Cb 1.33 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 2b2u h HIS 69 CO 0.31 0.03 0.04 -0.84 0.86 0.00 0.00 177.93 178.33 2b2u h ILE 70 N 0.10 0.11 -0.01 2.45 3.07 -2.02 0.05 117.51 121.26 2b2u h ILE 70 Ca 0.44 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.85 2b2u h ILE 70 Cb 1.56 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 2b2u h ILE 70 CO -0.05 0.00 -0.21 1.41 -1.05 0.00 0.00 178.15 178.25 2b2u n HIS 71 N -3.23 0.00 -1.76 0.16 8.25 -0.60 -3.73 115.22 114.31 2b2u n HIS 71 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2b2u n HIS 71 Cb 0.11 -0.10 0.01 0.00 1.12 0.00 0.00 29.99 31.13 2b2u n HIS 71 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2b2u n ASN 72 N -0.46 3.43 -4.29 0.41 3.02 0.00 -4.84 115.26 112.53 2b2u n ASN 72 Ca 0.13 1.17 -0.24 0.00 -0.03 0.00 0.00 54.58 55.61 2b2u n ASN 72 Cb 0.35 -1.60 -0.09 0.00 -0.61 0.00 0.00 39.78 37.84 2b2u n ASN 72 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2b2u s THR 73 N -1.16 0.86 -0.24 3.41 -4.23 -1.26 -4.36 115.64 108.66 2b2u s THR 73 Ca 0.57 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.01 2b2u s THR 73 Cb -0.47 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 2b2u s THR 73 CO 0.61 0.00 0.09 0.26 -0.54 0.00 0.00 174.62 175.03 2b2u s TRP 74 N -3.24 3.12 0.45 3.99 0.52 -1.26 -0.59 118.94 121.93 2b2u s TRP 74 Ca 0.28 -0.27 0.03 0.00 0.02 0.00 0.00 56.10 56.16 2b2u s TRP 74 Cb 0.05 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.11 2b2u s TRP 74 CO 0.14 -0.25 0.06 -1.21 0.02 0.00 0.00 176.95 175.70 2b2u s GLU 75 N 1.45 2.05 0.05 4.98 0.41 -0.27 -0.56 118.70 126.81 2b2u s GLU 75 Ca 0.06 -2.27 0.02 0.00 -0.41 0.00 0.00 54.97 52.37 2b2u s GLU 75 Cb -0.15 -1.14 -0.03 0.00 -1.78 0.00 0.00 34.13 31.03 2b2u s GLU 75 CO 0.04 -0.38 -0.07 0.99 -0.49 0.00 0.00 175.26 175.35 2b2u s THR 76 N -3.02 0.54 0.30 3.63 2.01 -1.26 -0.32 115.64 117.51 2b2u s THR 76 Ca 0.16 -1.20 -0.00 0.00 0.31 0.00 0.00 61.69 60.96 2b2u s THR 76 Cb 0.03 -0.76 0.39 0.00 0.01 0.00 0.00 72.50 72.17 2b2u s THR 76 CO 0.09 -0.46 1.59 -0.08 -0.69 0.00 0.00 174.62 175.07 2b2u h GLU 77 N 4.27 0.04 -0.68 4.92 4.81 -1.99 1.16 114.58 127.10 2b2u h GLU 77 Ca -0.36 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2b2u h GLU 77 Cb 1.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 2b2u h GLU 77 CO 0.44 0.02 0.25 1.49 -0.73 0.00 0.00 179.01 180.49 2b2u h GLU 78 N 0.04 1.04 -0.39 1.92 4.81 -1.96 0.48 114.58 120.51 2b2u h GLU 78 Ca 0.56 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2b2u h GLU 78 Cb 1.12 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2b2u h GLU 78 CO -0.87 0.88 -0.25 1.79 -0.73 0.00 0.00 179.01 179.83 2b2u h THR 79 N 0.98 1.28 -0.46 0.32 1.35 0.71 -2.26 112.91 114.83 2b2u h THR 79 Ca 0.23 -1.41 -0.03 0.00 -0.55 0.00 0.00 66.41 64.65 2b2u h THR 79 Cb 0.25 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 2b2u h THR 79 CO -0.01 0.47 0.16 -0.07 -0.25 0.00 0.00 175.52 175.82 2b2u h LEU 80 N 0.68 0.66 -0.11 3.87 -0.00 0.13 -2.98 115.31 117.55 2b2u h LEU 80 Ca 0.08 -0.19 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 2b2u h LEU 80 Cb 0.82 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2b2u h LEU 80 CO 0.07 0.67 -0.07 0.07 -0.00 0.00 0.00 178.44 179.18 2b2u h LYS 81 N 0.60 -0.00 0.00 1.13 5.09 0.24 -1.81 116.57 121.82 2b2u h LYS 81 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.89 2b2u h LYS 81 Cb 0.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.57 2b2u h LYS 81 CO -0.01 -0.00 0.00 0.00 -2.09 0.00 0.00 179.45 177.35 2b2u n GLN 82 N -3.25 0.40 -0.06 0.07 -0.00 -0.88 -2.59 117.38 111.09 2b2u n GLN 82 Ca 0.00 0.07 -0.10 0.00 -0.00 0.00 0.00 57.00 56.97 2b2u n GLN 82 Cb 0.03 -1.50 -0.15 0.00 -0.00 0.00 0.00 30.24 28.62 2b2u n GLN 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2b2u n GLN 83 N -1.18 0.66 -2.51 2.61 6.02 -0.84 -5.00 117.38 117.14 2b2u n GLN 83 Ca 0.11 0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 57.22 2b2u n GLN 83 Cb 0.12 -1.67 0.02 0.00 1.02 0.00 0.00 30.24 29.74 2b2u n GLN 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2b2u n ASN 84 N -2.94 -2.45 -4.80 1.08 3.02 -0.74 -5.02 115.26 103.41 2b2u n ASN 84 Ca -0.25 -0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 53.83 2b2u n ASN 84 Cb 1.10 -1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 2b2u n ASN 84 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2b2u s VAL 85 N -3.07 3.82 0.39 2.41 -7.23 -1.25 -4.85 120.40 110.62 2b2u s VAL 85 Ca 0.06 1.15 0.01 0.00 -1.81 0.00 0.00 61.98 61.39 2b2u s VAL 85 Cb -0.03 -3.48 -0.02 0.00 0.56 0.00 0.00 36.38 33.42 2b2u s VAL 85 CO 0.16 -0.23 0.59 -0.13 -0.31 0.00 0.00 175.10 175.18 2b2u s ARG 86 N -3.17 3.28 0.00 4.82 1.81 -1.23 -4.48 118.95 119.98 2b2u s ARG 86 Ca 0.66 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 54.20 2b2u s ARG 86 Cb -0.16 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.70 2b2u s ARG 86 CO 0.20 -0.03 0.00 0.41 -0.68 0.00 0.00 175.30 175.20 2b2u n GLY 87 N -1.89 0.94 0.47 -3.53 0.00 -1.26 -1.12 105.19 98.80 2b2u n GLY 87 Ca -0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.28 2b2u n GLY 87 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2b2u h MET 88 N 3.43 0.10 -0.96 1.61 2.86 -1.94 0.36 114.93 120.39 2b2u h MET 88 Ca 0.00 -0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.92 2b2u h MET 88 Cb 0.00 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 31.49 2b2u h MET 88 CO 0.00 0.07 0.46 -0.22 1.06 0.00 0.00 176.91 178.27 2b2u h LYS 89 N 0.10 0.31 -0.85 1.72 1.63 -1.97 1.39 116.57 118.89 2b2u h LYS 89 Ca 0.49 -0.02 0.11 0.00 -0.85 0.00 0.00 60.65 60.37 2b2u h LYS 89 Cb 1.75 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 33.24 2b2u h LYS 89 CO -0.07 0.20 0.49 0.87 -3.45 0.00 0.00 179.45 177.50 2b2u h LYS 90 N 0.32 0.77 0.49 1.90 1.79 -0.67 -1.74 116.57 119.42 2b2u h LYS 90 Ca 0.66 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 59.07 2b2u h LYS 90 Cb 1.43 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.88 2b2u h LYS 90 CO -0.61 0.51 -0.50 1.25 -1.08 0.00 0.00 179.45 179.02 2b2u h LEU 91 N 0.79 -1.37 -0.60 2.94 6.46 0.18 0.46 115.31 124.17 2b2u h LEU 91 Ca 0.42 0.11 0.08 0.00 -0.12 0.00 0.00 57.88 58.37 2b2u h LEU 91 Cb 0.43 0.45 -0.10 0.00 -0.73 0.00 0.00 40.66 40.71 2b2u h LEU 91 CO -0.27 -0.66 -0.50 0.44 -0.62 0.00 0.00 178.44 176.84 2b2u h ASP 92 N -0.99 -1.71 0.02 1.25 3.32 -1.14 0.55 116.42 117.70 2b2u h ASP 92 Ca -0.06 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 2b2u h ASP 92 Cb 0.87 0.75 -0.00 0.00 0.22 0.00 0.00 39.33 41.17 2b2u h ASP 92 CO -0.07 -0.34 -0.02 0.78 -1.72 0.00 0.00 179.24 177.87 2b2u h ASN 93 N -0.25 0.00 0.36 6.45 2.35 -1.05 -1.60 115.58 121.84 2b2u h ASN 93 Ca 0.15 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.67 2b2u h ASN 93 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2b2u h ASN 93 CO -0.70 0.02 -0.97 0.22 -1.65 0.00 0.00 177.43 174.34 2b2u h TYR 94 N 0.00 0.60 0.00 1.19 3.20 0.45 -2.76 116.97 119.66 2b2u h TYR 94 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2b2u h TYR 94 Cb 0.03 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2b2u h TYR 94 CO 0.00 1.16 0.00 1.63 -1.64 0.00 0.00 178.16 179.31 2b2u n LYS 95 N -3.73 0.35 -3.76 1.82 5.02 0.13 -4.49 118.16 113.51 2b2u n LYS 95 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.87 2b2u n LYS 95 Cb 0.85 -1.27 -0.10 0.00 -0.02 0.00 0.00 35.03 34.49 2b2u n LYS 95 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2b2u s LYS 96 N -0.00 2.49 -0.12 1.97 2.47 -1.04 -5.00 119.74 120.51 2b2u s LYS 96 Ca 0.00 -2.59 -0.07 0.00 -1.56 0.00 0.00 55.97 51.75 2b2u s LYS 96 Cb 0.00 -3.67 0.05 0.00 -1.46 0.00 0.00 37.83 32.75 2b2u s LYS 96 CO 0.00 -1.17 0.29 0.15 0.16 0.00 0.00 175.35 174.78 2b2u s LYS 97 N -0.18 0.27 0.33 4.03 3.01 -1.26 -5.09 119.74 120.84 2b2u s LYS 97 Ca 0.17 0.57 0.02 0.00 -1.01 0.00 0.00 55.97 55.73 2b2u s LYS 97 Cb -0.21 -0.06 -0.01 0.00 -1.01 0.00 0.00 37.83 36.55 2b2u s LYS 97 CO -0.03 -0.14 0.08 -0.25 0.51 0.00 0.00 175.35 175.52 2b2u n ASP 98 N 4.05 1.70 -0.78 2.83 9.92 -1.26 -5.25 116.55 127.76 2b2u n ASP 98 Ca -0.23 -2.65 0.10 0.00 -0.53 0.00 0.00 54.79 51.48 2b2u n ASP 98 Cb 0.54 0.63 0.08 0.00 -0.64 0.00 0.00 41.12 41.74 2b2u n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33