#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2w n GLU 12 N 0.00 2.83 -2.14 5.31 -0.58 -1.26 -5.14 120.64 119.67 2b2w n GLU 12 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2b2w n GLU 12 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 2b2w n GLU 12 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 2b2w s PHE 13 N 3.17 2.84 0.50 -0.32 -0.71 -1.26 -5.07 117.98 117.14 2b2w s PHE 13 Ca 0.00 1.54 -0.03 0.00 -1.04 0.00 0.00 56.93 57.40 2b2w s PHE 13 Cb 0.00 -3.12 -0.01 0.00 -1.21 0.00 0.00 43.02 38.69 2b2w s PHE 13 CO 0.00 -1.27 0.77 -2.00 -1.34 0.00 0.00 175.22 171.38 2b2w s GLU 14 N -3.72 3.15 -0.02 1.99 2.56 -1.26 -4.91 118.70 116.50 2b2w s GLU 14 Ca 0.67 -0.14 0.01 0.00 0.00 0.00 0.00 54.97 55.51 2b2w s GLU 14 Cb -0.19 -2.42 0.02 0.00 2.00 0.00 0.00 34.13 33.54 2b2w s GLU 14 CO 0.32 -0.38 -0.01 -0.08 -0.56 0.00 0.00 175.26 174.55 2b2w s THR 15 N -2.74 0.19 -0.11 -1.70 -1.32 -1.26 -1.44 115.64 107.26 2b2w s THR 15 Ca 0.49 0.01 -0.30 0.00 -1.21 0.00 0.00 61.69 60.69 2b2w s THR 15 Cb -0.10 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.62 2b2w s THR 15 CO 0.42 0.11 1.33 -0.63 -2.21 0.00 0.00 174.62 173.64 2b2w s ILE 16 N 0.62 4.10 -0.13 5.08 1.01 -0.09 -1.34 121.20 130.46 2b2w s ILE 16 Ca -0.06 1.37 0.19 0.00 0.00 0.00 0.00 60.65 62.15 2b2w s ILE 16 Cb -0.09 -3.88 -0.21 0.00 0.01 0.00 0.00 42.46 38.29 2b2w s ILE 16 CO -0.01 -0.09 0.58 1.21 0.00 0.00 0.00 174.94 176.63 2b2w n GLU 17 N 6.34 0.65 -3.62 2.79 2.13 -0.57 -4.72 120.64 123.63 2b2w n GLU 17 Ca 0.14 0.03 -0.05 0.00 0.66 0.00 0.00 57.16 57.94 2b2w n GLU 17 Cb 0.45 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.45 2b2w n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2b2w s ARG 18 N -3.08 0.22 -0.33 5.31 3.52 -1.04 -5.00 118.95 118.55 2b2w s ARG 18 Ca -0.06 0.06 -0.16 0.00 -0.13 0.00 0.00 55.73 55.44 2b2w s ARG 18 Cb 0.10 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2b2w s ARG 18 CO 0.84 -0.07 0.40 -0.06 -0.81 0.00 0.00 175.30 175.60 2b2w s PHE 19 N -1.03 3.21 -0.13 5.12 0.08 -1.26 -1.77 117.98 122.20 2b2w s PHE 19 Ca 0.06 0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.26 2b2w s PHE 19 Cb -0.01 -2.70 -0.23 0.00 -0.57 0.00 0.00 43.02 39.50 2b2w s PHE 19 CO -0.05 -0.41 0.30 -1.33 -0.10 0.00 0.00 175.22 173.63 2b2w n MET 20 N 5.45 0.69 -3.93 0.44 2.81 0.10 -5.00 117.12 117.69 2b2w n MET 20 Ca -0.08 0.21 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 2b2w n MET 20 Cb 0.50 -1.67 -0.01 0.00 -0.71 0.00 0.00 33.22 31.32 2b2w n MET 20 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2b2w s ASP 21 N -6.43 0.21 -0.01 7.83 -1.08 -1.21 -4.94 116.67 111.04 2b2w s ASP 21 Ca -0.18 -1.13 -0.13 0.00 -0.52 0.00 0.00 52.55 50.59 2b2w s ASP 21 Cb 0.07 0.74 0.02 0.00 -1.46 0.00 0.00 42.92 42.29 2b2w s ASP 21 CO 0.76 -1.44 0.28 0.00 0.52 0.00 0.00 175.17 175.29 2b2w s ARG 23 N -1.28 0.93 -0.28 0.00 1.70 0.13 -4.98 118.95 115.17 2b2w s ARG 23 Ca -0.13 -0.41 -0.10 0.00 -0.47 0.00 0.00 55.73 54.62 2b2w s ARG 23 Cb -0.06 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 2b2w s ARG 23 CO 0.04 -0.41 0.15 0.42 -1.08 0.00 0.00 175.30 174.41 2b2w s ILE 24 N -3.16 4.88 0.15 4.99 1.09 -1.25 0.36 121.20 128.26 2b2w s ILE 24 Ca 0.07 -0.05 -0.01 0.00 -1.10 0.00 0.00 60.65 59.57 2b2w s ILE 24 Cb -0.01 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.00 2b2w s ILE 24 CO -0.06 0.24 0.06 -0.83 -0.10 0.00 0.00 174.94 174.25 2b2w s GLY 25 N 1.69 1.11 0.11 6.18 0.00 0.11 -4.84 107.32 111.67 2b2w s GLY 25 Ca 0.06 -1.53 -0.35 0.00 0.00 0.00 0.00 44.72 42.90 2b2w s GLY 25 CO 0.08 -1.40 1.09 -2.13 0.00 0.00 0.00 173.10 170.74 2b2w n ARG 26 N -0.15 0.67 -2.13 2.90 0.63 -1.26 -0.15 116.66 117.17 2b2w n ARG 26 Ca -0.04 0.24 -0.42 0.00 -0.92 0.00 0.00 57.85 56.71 2b2w n ARG 26 Cb 0.64 -1.71 -0.03 0.00 0.45 0.00 0.00 32.46 31.82 2b2w n ARG 26 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2b2w s LYS 27 N -0.18 4.33 0.00 -0.14 -2.85 -1.02 -1.82 119.74 118.06 2b2w s LYS 27 Ca 0.79 2.15 0.00 0.00 -1.00 0.00 0.00 55.97 57.91 2b2w s LYS 27 Cb -1.00 -3.18 0.00 0.00 -2.06 0.00 0.00 37.83 31.59 2b2w s LYS 27 CO 0.53 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 176.03 2b2w n GLY 28 N 2.65 1.44 2.37 0.59 0.00 -1.26 -4.96 105.19 106.01 2b2w n GLY 28 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2b2w n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2w n ALA 29 N -1.86 7.33 -2.32 4.61 0.00 -0.75 -4.82 120.51 122.70 2b2w n ALA 29 Ca 0.00 -3.69 -0.12 0.00 0.00 0.00 0.00 53.44 49.63 2b2w n ALA 29 Cb 0.00 -3.21 -0.09 0.00 0.00 0.00 0.00 19.45 16.15 2b2w n ALA 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2b2w s THR 30 N 1.24 0.01 0.00 0.00 -4.23 -1.26 -4.83 115.64 106.56 2b2w s THR 30 Ca 0.65 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2b2w s THR 30 Cb 0.18 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2b2w s THR 30 CO -0.07 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 2b2w n GLY 31 N -0.27 -1.67 0.35 3.99 0.00 0.02 -4.47 105.19 103.13 2b2w n GLY 31 Ca 0.01 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.56 2b2w n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2w h ALA 32 N 0.00 1.54 0.00 4.61 0.00 -1.98 -0.24 119.26 123.19 2b2w h ALA 32 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b2w h ALA 32 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2b2w h ALA 32 CO 0.00 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.54 2b2w n THR 33 N -4.73 0.54 1.05 0.00 -2.24 -1.26 -1.72 114.28 105.91 2b2w n THR 33 Ca 0.21 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 2b2w n THR 33 Cb 0.47 -1.00 0.08 0.00 -2.10 0.00 0.00 70.33 67.77 2b2w n THR 33 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2b2w n THR 34 N -1.18 0.00 -1.55 4.28 -1.04 -0.10 -3.86 114.28 110.82 2b2w n THR 34 Ca 0.05 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 2b2w n THR 34 Cb 0.05 0.84 0.08 0.00 -1.82 0.00 0.00 70.33 69.48 2b2w n THR 34 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2b2w s THR 35 N -2.72 2.58 0.32 12.58 -4.23 -0.70 -4.71 115.64 118.76 2b2w s THR 35 Ca 0.15 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 60.97 2b2w s THR 35 Cb 0.18 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.45 2b2w s THR 35 CO 0.67 -0.15 1.93 -0.29 -0.54 0.00 0.00 174.62 176.24 2b2w h ILE 36 N -0.14 1.06 -0.01 2.99 6.09 -1.78 -0.13 117.51 125.60 2b2w h ILE 36 Ca -0.48 -0.32 -0.17 0.00 -1.37 0.00 0.00 64.86 62.53 2b2w h ILE 36 Cb 1.28 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.60 2b2w h ILE 36 CO 0.51 0.17 -0.77 0.10 -3.07 0.00 0.00 178.15 175.09 2b2w h TYR 37 N 0.93 0.10 -0.18 2.19 -0.00 -1.91 -1.71 116.97 116.40 2b2w h TYR 37 Ca 0.36 -0.05 -0.09 0.00 0.00 0.00 0.00 58.73 58.95 2b2w h TYR 37 Cb 0.20 -0.01 -0.00 0.00 0.00 0.00 0.00 36.73 36.91 2b2w h TYR 37 CO -0.00 0.81 -0.23 0.00 -0.00 0.00 0.00 178.16 178.74 2b2w h ALA 38 N 1.17 0.27 -0.46 0.10 0.00 -1.68 -1.78 119.26 116.89 2b2w h ALA 38 Ca -0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2b2w h ALA 38 Cb 1.36 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2b2w h ALA 38 CO 0.11 0.23 0.27 0.28 0.00 0.00 0.00 179.25 180.14 2b2w h VAL 39 N 0.13 1.15 -0.14 0.00 2.07 -1.04 0.40 116.25 118.82 2b2w h VAL 39 Ca 0.02 -0.37 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2b2w h VAL 39 Cb 0.79 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2b2w h VAL 39 CO 0.05 0.16 -0.22 -0.33 0.02 0.00 0.00 177.57 177.25 2b2w h GLU 40 N 0.62 0.25 0.09 1.57 5.08 -1.29 0.21 114.58 121.11 2b2w h GLU 40 Ca 0.17 -0.08 -0.27 0.00 -1.00 0.00 0.00 59.36 58.17 2b2w h GLU 40 Cb 0.02 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2b2w h GLU 40 CO -0.03 0.47 -1.44 0.00 -1.00 0.00 0.00 179.01 177.01 2b2w h ALA 41 N 1.54 0.24 -0.04 3.43 0.00 -0.88 -3.40 119.26 120.15 2b2w h ALA 41 Ca 0.04 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.80 2b2w h ALA 41 Cb 0.53 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2b2w h ALA 41 CO 0.04 0.86 0.00 -0.25 0.00 0.00 0.00 179.25 179.90 2b2w n ASP 42 N -3.97 2.46 0.00 0.00 8.00 0.14 -5.09 116.55 118.08 2b2w n ASP 42 Ca -0.27 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 53.50 2b2w n ASP 42 Cb 0.87 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 2b2w n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2w n GLY 43 N 0.96 0.32 3.66 0.44 0.00 0.75 -4.92 105.19 106.41 2b2w n GLY 43 Ca 0.10 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 2b2w n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b2w s ASP 44 N -1.49 7.09 0.00 1.61 -1.08 -1.24 -4.36 116.67 117.21 2b2w s ASP 44 Ca 0.00 1.36 0.16 0.00 -0.52 0.00 0.00 52.55 53.55 2b2w s ASP 44 Cb 0.00 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.76 2b2w s ASP 44 CO 0.00 -0.59 1.46 -0.81 0.52 0.00 0.00 175.17 175.75 2b2w n PRO 45 N 5.94 0.25 -0.15 4.34 -0.04 -1.26 -1.77 135.00 142.30 2b2w n PRO 45 Ca 0.10 0.12 0.05 0.00 -0.04 0.00 0.00 63.50 63.73 2b2w n PRO 45 Cb 0.47 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.56 2b2w n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2b2w n ASN 46 N -1.26 2.80 -4.57 3.54 5.15 -1.26 -4.72 115.26 114.94 2b2w n ASN 46 Ca 0.08 -2.02 -0.51 0.00 -0.60 0.00 0.00 54.58 51.53 2b2w n ASN 46 Cb 0.12 -0.20 -0.05 0.00 -0.53 0.00 0.00 39.78 39.12 2b2w n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2b2w n ALA 47 N 0.34 -1.31 -1.82 5.20 0.00 -0.73 -2.23 120.51 119.96 2b2w n ALA 47 Ca 0.10 0.50 -0.13 0.00 0.00 0.00 0.00 53.44 53.91 2b2w n ALA 47 Cb 0.41 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.82 2b2w n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b2w n GLY 48 N 2.16 0.52 3.74 0.00 0.00 -1.26 -4.95 105.19 105.40 2b2w n GLY 48 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2b2w n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b2w s PHE 49 N -2.32 2.23 -0.15 1.61 2.19 -0.95 -5.04 117.98 115.55 2b2w s PHE 49 Ca 0.00 1.59 -0.06 0.00 0.33 0.00 0.00 56.93 58.78 2b2w s PHE 49 Cb 0.00 -3.38 0.07 0.00 -1.31 0.00 0.00 43.02 38.40 2b2w s PHE 49 CO 0.00 -2.31 0.33 -1.21 1.83 0.00 0.00 175.22 173.86 2b2w s GLU 50 N -3.94 0.24 0.47 10.12 2.02 -1.26 -5.05 118.70 121.30 2b2w s GLU 50 Ca 0.72 0.82 -0.24 0.00 0.02 0.00 0.00 54.97 56.29 2b2w s GLU 50 Cb -0.26 0.07 -0.07 0.00 0.10 0.00 0.00 34.13 33.97 2b2w s GLU 50 CO 0.44 -0.24 1.31 -1.59 0.02 0.00 0.00 175.26 175.19 2b2w s LYS 51 N 2.19 3.59 0.00 1.61 -2.85 -1.26 -2.37 119.74 120.66 2b2w s LYS 51 Ca -0.03 2.14 0.00 0.00 -1.00 0.00 0.00 55.97 57.08 2b2w s LYS 51 Cb -0.11 -2.49 0.00 0.00 -2.06 0.00 0.00 37.83 33.17 2b2w s LYS 51 CO -0.10 -0.80 0.00 -1.71 0.10 0.00 0.00 175.35 172.84 2b2w n ASN 52 N -0.46 -2.72 -0.00 0.03 5.15 -1.26 -4.69 115.26 111.30 2b2w n ASN 52 Ca 0.07 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.12 2b2w n ASN 52 Cb 0.45 -2.14 -0.08 0.00 -0.53 0.00 0.00 39.78 37.47 2b2w n ASN 52 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2b2w n LYS 53 N -1.08 2.28 -3.57 1.20 4.01 -1.00 -5.00 118.16 115.00 2b2w n LYS 53 Ca 0.00 -0.01 -0.06 0.00 -0.51 0.00 0.00 58.31 57.73 2b2w n LYS 53 Cb 0.18 -1.17 -0.02 0.00 -0.51 0.00 0.00 35.03 33.51 2b2w n LYS 53 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2b2w s GLU 54 N -2.34 0.54 -0.13 1.97 -1.05 -1.22 -5.02 118.70 111.45 2b2w s GLU 54 Ca 0.05 -0.21 -0.33 0.00 -0.15 0.00 0.00 54.97 54.33 2b2w s GLU 54 Cb 0.11 0.24 -0.10 0.00 -0.44 0.00 0.00 34.13 33.93 2b2w s GLU 54 CO 0.58 -0.24 1.99 -2.30 0.95 0.00 0.00 175.26 176.24 2b2w n PRO 55 N -0.19 2.08 -4.16 -4.83 -0.02 -1.26 -4.78 135.00 121.85 2b2w n PRO 55 Ca -0.04 0.72 -0.25 0.00 -2.02 0.00 0.00 63.50 61.91 2b2w n PRO 55 Cb 0.60 -2.75 -0.07 0.00 -0.02 0.00 0.00 33.50 31.25 2b2w n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2b2w s GLY 56 N 5.20 2.38 0.09 -1.23 0.00 -1.26 -2.44 107.32 110.05 2b2w s GLY 56 Ca 0.96 -2.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 2b2w s GLY 56 CO 0.48 -1.93 0.14 -0.54 0.00 0.00 0.00 173.10 171.24 2b2w s GLU 57 N -3.92 0.83 -0.12 2.90 2.02 0.79 -4.70 118.70 116.50 2b2w s GLU 57 Ca 0.39 -1.08 -0.21 0.00 0.02 0.00 0.00 54.97 54.09 2b2w s GLU 57 Cb 0.04 0.31 -0.03 0.00 0.10 0.00 0.00 34.13 34.54 2b2w s GLU 57 CO 0.22 -0.24 0.62 -1.50 0.02 0.00 0.00 175.26 174.37 2b2w s ILE 58 N -3.90 5.08 0.05 -1.63 2.07 -1.26 0.05 121.20 121.66 2b2w s ILE 58 Ca 0.08 1.23 0.04 0.00 -1.41 0.00 0.00 60.65 60.60 2b2w s ILE 58 Cb 0.06 -3.95 -0.02 0.00 0.13 0.00 0.00 42.46 38.67 2b2w s ILE 58 CO -0.09 0.23 -0.12 -1.10 -1.91 0.00 0.00 174.94 171.95 2b2w s GLN 59 N 1.06 0.77 -0.06 3.50 -0.21 0.16 -4.58 119.66 120.31 2b2w s GLN 59 Ca 0.32 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.94 2b2w s GLN 59 Cb -0.16 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.10 2b2w s GLN 59 CO 0.14 0.17 -0.25 0.71 -2.12 0.00 0.00 175.29 173.94 2b2w s TYR 60 N -1.11 2.39 -0.31 0.91 2.02 0.52 -0.69 117.35 121.07 2b2w s TYR 60 Ca -0.02 -0.71 -0.29 0.00 -0.37 0.00 0.00 57.07 55.68 2b2w s TYR 60 Cb -0.09 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2b2w s TYR 60 CO 0.01 -0.22 1.05 -1.17 -1.57 0.00 0.00 175.55 173.66 2b2w s LEU 61 N -0.14 3.95 -0.21 -1.29 2.96 -0.11 -1.50 118.68 122.35 2b2w s LEU 61 Ca -0.04 1.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2b2w s LEU 61 Cb -0.14 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 2b2w s LEU 61 CO 0.04 -0.85 0.02 -0.63 -1.32 0.00 0.00 176.35 173.61 2b2w s ILE 62 N 3.57 4.15 -0.30 6.68 1.01 0.38 0.03 121.20 136.72 2b2w s ILE 62 Ca 0.44 -0.24 -0.18 0.00 0.00 0.00 0.00 60.65 60.67 2b2w s ILE 62 Cb -0.12 -2.89 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2b2w s ILE 62 CO 0.15 0.41 0.50 -0.75 0.00 0.00 0.00 174.94 175.25 2b2w s LYS 63 N 1.02 3.88 0.18 2.79 2.47 -0.73 -2.11 119.74 127.25 2b2w s LYS 63 Ca 0.03 0.09 -0.16 0.00 -1.56 0.00 0.00 55.97 54.37 2b2w s LYS 63 Cb -0.14 -3.72 -0.07 0.00 -1.46 0.00 0.00 37.83 32.43 2b2w s LYS 63 CO 0.02 -0.47 0.62 -1.58 0.16 0.00 0.00 175.35 174.10 2b2w s TRP 64 N 2.32 3.61 -0.02 4.03 0.52 -1.26 -1.51 118.94 126.63 2b2w s TRP 64 Ca 0.19 1.17 -0.30 0.00 0.02 0.00 0.00 56.10 57.19 2b2w s TRP 64 Cb -0.16 -2.46 -0.06 0.00 -1.15 0.00 0.00 33.47 29.65 2b2w s TRP 64 CO 0.11 0.38 1.61 0.21 0.02 0.00 0.00 176.95 179.28 2b2w s LYS 65 N -2.03 4.20 0.00 4.98 2.20 -0.45 -2.05 119.74 126.59 2b2w s LYS 65 Ca 0.41 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 2b2w s LYS 65 Cb -0.15 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 2b2w s LYS 65 CO 0.20 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 2b2w n GLY 66 N 4.02 0.75 2.89 5.54 0.00 -1.26 -4.75 105.19 112.38 2b2w n GLY 66 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 2b2w n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b2w s TRP 67 N -2.51 0.75 1.05 1.61 0.52 -0.87 -5.14 118.94 114.35 2b2w s TRP 67 Ca 0.00 -0.21 -0.14 0.00 0.02 0.00 0.00 56.10 55.77 2b2w s TRP 67 Cb 0.00 -0.67 0.12 0.00 -1.15 0.00 0.00 33.47 31.77 2b2w s TRP 67 CO 0.00 -0.19 0.49 -1.13 0.02 0.00 0.00 176.95 176.13 2b2w n SER 68 N 4.07 -1.78 0.27 2.95 3.41 -1.26 -4.40 113.62 116.88 2b2w n SER 68 Ca -0.24 0.10 0.18 0.00 -0.26 0.00 0.00 58.87 58.65 2b2w n SER 68 Cb 0.51 -1.17 0.96 0.00 -0.26 0.00 0.00 64.21 64.25 2b2w n SER 68 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2b2w h HIS 69 N -1.99 0.00 0.00 7.33 3.86 -1.99 -2.26 115.15 120.10 2b2w h HIS 69 Ca -0.50 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.69 2b2w h HIS 69 Cb 1.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.78 2b2w h HIS 69 CO 0.30 0.00 -0.08 -0.84 0.86 0.00 0.00 177.93 178.17 2b2w h ILE 70 N 0.00 0.34 -0.01 2.45 3.07 -2.00 -1.50 117.51 119.85 2b2w h ILE 70 Ca 0.00 -0.48 0.00 0.00 1.55 0.00 0.00 64.86 65.93 2b2w h ILE 70 Cb 0.04 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.94 2b2w h ILE 70 CO 0.00 0.08 0.00 1.41 -1.05 0.00 0.00 178.15 178.59 2b2w n HIS 71 N -3.41 0.00 -1.68 0.16 8.25 -0.85 -3.39 115.22 114.31 2b2w n HIS 71 Ca -0.01 -0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.04 2b2w n HIS 71 Cb 0.24 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.37 2b2w n HIS 71 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2b2w n ASN 72 N -0.03 2.15 -4.06 0.41 3.02 -0.57 -4.86 115.26 111.33 2b2w n ASN 72 Ca 0.20 1.05 -0.11 0.00 -0.03 0.00 0.00 54.58 55.69 2b2w n ASN 72 Cb 0.31 -1.47 -0.11 0.00 -0.61 0.00 0.00 39.78 37.90 2b2w n ASN 72 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2b2w s THR 73 N -1.25 0.43 -0.01 3.41 -4.23 -0.90 -4.23 115.64 108.87 2b2w s THR 73 Ca 0.64 -1.19 -0.24 0.00 -1.18 0.00 0.00 61.69 59.72 2b2w s THR 73 Cb -0.50 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 2b2w s THR 73 CO 0.56 -0.51 0.72 0.26 -0.54 0.00 0.00 174.62 175.10 2b2w s TRP 74 N -1.83 3.66 0.22 3.99 0.52 -1.26 -0.47 118.94 123.76 2b2w s TRP 74 Ca -0.08 1.34 -0.00 0.00 0.02 0.00 0.00 56.10 57.38 2b2w s TRP 74 Cb -0.07 -2.79 -0.04 0.00 -1.15 0.00 0.00 33.47 29.42 2b2w s TRP 74 CO -0.01 0.20 0.13 -1.21 0.02 0.00 0.00 176.95 176.07 2b2w s GLU 75 N 0.31 1.28 0.21 4.98 0.41 -0.56 -0.80 118.70 124.53 2b2w s GLU 75 Ca 0.37 -1.68 0.11 0.00 -0.41 0.00 0.00 54.97 53.36 2b2w s GLU 75 Cb -0.19 0.13 -0.04 0.00 -1.78 0.00 0.00 34.13 32.25 2b2w s GLU 75 CO 0.20 -0.37 -0.20 0.99 -0.49 0.00 0.00 175.26 175.38 2b2w s THR 76 N -4.03 2.54 0.43 3.63 2.01 -1.26 -0.36 115.64 118.61 2b2w s THR 76 Ca 0.39 -2.05 0.19 0.00 0.31 0.00 0.00 61.69 60.53 2b2w s THR 76 Cb 0.07 -2.25 0.39 0.00 0.01 0.00 0.00 72.50 70.72 2b2w s THR 76 CO 0.13 -0.18 1.85 -0.08 -0.69 0.00 0.00 174.62 175.65 2b2w h GLU 77 N 2.93 0.34 -0.28 4.92 4.81 -2.00 0.31 114.58 125.61 2b2w h GLU 77 Ca -0.45 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2b2w h GLU 77 Cb 1.22 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 2b2w h GLU 77 CO 0.52 0.23 -0.00 0.93 -0.73 0.00 0.00 179.01 179.95 2b2w h GLU 78 N 0.35 0.49 -0.55 1.92 5.08 -1.96 -1.81 114.58 118.09 2b2w h GLU 78 Ca 0.47 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2b2w h GLU 78 Cb 1.26 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2b2w h GLU 78 CO -0.16 0.65 0.01 1.79 -1.00 0.00 0.00 179.01 180.29 2b2w h THR 79 N 0.28 1.26 -0.24 1.13 1.35 -1.40 -1.86 112.91 113.43 2b2w h THR 79 Ca 0.08 -1.10 0.02 0.00 -0.55 0.00 0.00 66.41 64.85 2b2w h THR 79 Cb 0.43 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.70 2b2w h THR 79 CO 0.01 0.39 0.11 -0.07 -0.25 0.00 0.00 175.52 175.72 2b2w h LEU 80 N 0.85 0.16 -0.16 3.87 -0.00 -1.08 -2.71 115.31 116.25 2b2w h LEU 80 Ca 0.16 0.01 0.01 0.00 -0.00 0.00 0.00 57.88 58.06 2b2w h LEU 80 Cb 0.53 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.15 2b2w h LEU 80 CO 0.03 0.13 0.07 0.11 -0.00 0.00 0.00 178.44 178.77 2b2w h LYS 81 N 0.24 0.15 0.00 1.13 1.57 -1.11 -2.50 116.57 116.04 2b2w h LYS 81 Ca 0.10 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2b2w h LYS 81 Cb 0.03 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2b2w h LYS 81 CO -0.07 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.91 2b2w n GLN 82 N -5.03 0.51 0.00 3.15 -0.00 -0.72 -1.94 117.38 113.34 2b2w n GLN 82 Ca -0.04 0.04 0.09 0.00 -0.00 0.00 0.00 57.00 57.09 2b2w n GLN 82 Cb 0.05 -1.50 -0.11 0.00 -0.00 0.00 0.00 30.24 28.68 2b2w n GLN 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2b2w n GLN 83 N -1.17 0.57 -3.25 2.61 6.02 -0.98 -5.00 117.38 116.18 2b2w n GLN 83 Ca 0.14 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.97 2b2w n GLN 83 Cb 0.14 -1.42 0.08 0.00 1.02 0.00 0.00 30.24 30.06 2b2w n GLN 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2b2w n ASN 84 N -1.44 -2.16 -4.85 1.08 3.02 -0.82 -4.72 115.26 105.37 2b2w n ASN 84 Ca 0.04 -0.55 -0.33 0.00 -0.03 0.00 0.00 54.58 53.71 2b2w n ASN 84 Cb 0.31 -4.56 -0.06 0.00 -0.61 0.00 0.00 39.78 34.86 2b2w n ASN 84 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2b2w s VAL 85 N -3.32 4.69 0.28 2.41 -7.23 -1.20 -4.46 120.40 111.58 2b2w s VAL 85 Ca 0.01 0.94 -0.09 0.00 -1.81 0.00 0.00 61.98 61.03 2b2w s VAL 85 Cb -0.00 -3.64 -0.07 0.00 0.56 0.00 0.00 36.38 33.23 2b2w s VAL 85 CO 0.64 -0.11 0.59 -0.13 -0.31 0.00 0.00 175.10 175.78 2b2w s ARG 86 N -2.81 3.76 0.00 4.82 0.52 -0.52 -4.32 118.95 120.40 2b2w s ARG 86 Ca 0.52 0.25 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 2b2w s ARG 86 Cb -0.11 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.76 2b2w s ARG 86 CO 0.18 0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.14 2b2w n GLY 87 N -0.53 1.04 0.31 -3.53 0.00 -1.26 -0.91 105.19 100.31 2b2w n GLY 87 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.17 2b2w n GLY 87 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2b2w h MET 88 N 2.05 0.00 -0.38 1.61 2.86 -1.93 0.55 114.93 119.68 2b2w h MET 88 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2b2w h MET 88 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2b2w h MET 88 CO 0.00 0.00 0.06 -0.22 1.06 0.00 0.00 176.91 177.81 2b2w h LYS 89 N 0.00 0.57 -1.00 1.72 1.63 -1.96 0.27 116.57 117.81 2b2w h LYS 89 Ca 0.00 -0.11 0.14 0.00 -0.85 0.00 0.00 60.65 59.84 2b2w h LYS 89 Cb 0.62 -0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.06 2b2w h LYS 89 CO 0.00 0.55 0.62 0.87 -3.45 0.00 0.00 179.45 178.03 2b2w h LYS 90 N 0.56 0.88 0.40 1.90 1.79 -0.29 -1.43 116.57 120.38 2b2w h LYS 90 Ca 0.13 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.52 2b2w h LYS 90 Cb 0.26 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 2b2w h LYS 90 CO 0.00 0.58 -0.20 1.25 -1.08 0.00 0.00 179.45 180.01 2b2w h LEU 91 N 0.91 -0.48 -0.30 2.94 6.46 -1.04 -1.31 115.31 122.49 2b2w h LEU 91 Ca 0.52 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.37 2b2w h LEU 91 Cb 0.62 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.60 2b2w h LEU 91 CO -0.31 -0.33 -0.21 0.44 -0.62 0.00 0.00 178.44 177.41 2b2w h ASP 92 N -0.55 -0.69 -0.18 1.25 5.19 -1.04 -1.40 116.42 118.99 2b2w h ASP 92 Ca -0.05 0.14 0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2b2w h ASP 92 Cb 0.42 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 2b2w h ASP 92 CO 0.08 -0.24 0.04 0.78 -3.12 0.00 0.00 179.24 176.77 2b2w h ASN 93 N -0.18 0.01 -0.79 6.45 2.35 -1.26 -2.44 115.58 119.72 2b2w h ASN 93 Ca 0.16 0.03 0.08 0.00 -0.55 0.00 0.00 56.30 56.01 2b2w h ASN 93 Cb 0.43 0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 2b2w h ASN 93 CO -0.41 0.03 0.52 0.22 -1.65 0.00 0.00 177.43 176.14 2b2w h TYR 94 N 0.11 0.83 0.00 1.19 3.20 -0.78 -1.76 116.97 119.76 2b2w h TYR 94 Ca 0.08 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2b2w h TYR 94 Cb 0.07 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2b2w h TYR 94 CO -0.13 0.41 0.00 1.63 -1.64 0.00 0.00 178.16 178.43 2b2w n LYS 95 N -4.49 0.10 0.00 1.82 5.02 -0.57 -5.11 118.16 114.93 2b2w n LYS 95 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2b2w n LYS 95 Cb 0.26 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 2b2w n LYS 95 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51