#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b2v n GLU 14 N 0.00 0.00 -4.29 -1.08 4.07 -1.26 -4.34 120.64 113.73 2b2v n GLU 14 Ca 0.00 0.44 -0.26 0.00 -0.06 0.00 0.00 57.16 57.28 2b2v n GLU 14 Cb 0.00 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.21 2b2v n GLU 14 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2b2v s THR 15 N -0.00 1.14 -0.00 6.31 -1.32 -1.26 -2.41 115.64 118.09 2b2v s THR 15 Ca 0.00 -0.43 -0.30 0.00 -1.21 0.00 0.00 61.69 59.75 2b2v s THR 15 Cb 0.00 -1.09 -0.08 0.00 -1.51 0.00 0.00 72.50 69.82 2b2v s THR 15 CO 0.00 0.37 1.94 -0.63 -2.21 0.00 0.00 174.62 174.09 2b2v s ILE 16 N 1.12 3.11 -0.12 5.08 -1.09 -0.90 -0.43 121.20 127.97 2b2v s ILE 16 Ca -0.06 0.14 0.17 0.00 -2.23 0.00 0.00 60.65 58.67 2b2v s ILE 16 Cb -0.14 -3.09 -0.21 0.00 -1.58 0.00 0.00 42.46 37.43 2b2v s ILE 16 CO -0.02 -0.02 0.51 1.21 -1.23 0.00 0.00 174.94 175.40 2b2v n GLU 17 N 7.59 0.65 -3.62 2.79 2.13 -0.96 -4.71 120.64 124.50 2b2v n GLU 17 Ca 0.20 0.11 -0.08 0.00 0.66 0.00 0.00 57.16 58.04 2b2v n GLU 17 Cb 0.42 -1.68 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 2b2v n GLU 17 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2b2v s ARG 18 N -2.81 0.46 -0.31 5.31 3.52 -1.12 -4.99 118.95 119.00 2b2v s ARG 18 Ca -0.06 0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 55.69 2b2v s ARG 18 Cb 0.08 0.22 0.00 0.00 -1.56 0.00 0.00 34.95 33.70 2b2v s ARG 18 CO 0.83 -0.09 0.81 -0.06 -0.81 0.00 0.00 175.30 175.99 2b2v s PHE 19 N -0.20 3.19 -0.08 5.12 0.08 -1.26 -2.28 117.98 122.54 2b2v s PHE 19 Ca 0.03 0.83 0.08 0.00 0.12 0.00 0.00 56.93 57.98 2b2v s PHE 19 Cb -0.04 -3.27 -0.24 0.00 -0.57 0.00 0.00 43.02 38.91 2b2v s PHE 19 CO -0.05 -0.59 0.51 -1.33 -0.10 0.00 0.00 175.22 173.65 2b2v n MET 20 N 6.27 0.67 -2.12 0.44 2.81 0.13 -4.99 117.12 120.34 2b2v n MET 20 Ca 0.04 0.26 -0.04 0.00 -1.81 0.00 0.00 57.70 56.15 2b2v n MET 20 Cb 0.48 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2b2v n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2b2v n ASP 21 N -3.14 -0.68 -3.53 7.83 -0.08 -1.21 -4.97 116.55 110.76 2b2v n ASP 21 Ca -0.23 -1.59 -0.12 0.00 -1.51 0.00 0.00 54.79 51.34 2b2v n ASP 21 Cb 1.06 1.17 -0.04 0.00 2.34 0.00 0.00 41.12 45.65 2b2v n ASP 21 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2b2v s ARG 23 N -1.85 1.32 -0.25 0.00 1.70 -0.18 -4.97 118.95 114.72 2b2v s ARG 23 Ca -0.02 -0.66 -0.15 0.00 -0.47 0.00 0.00 55.73 54.44 2b2v s ARG 23 Cb -0.01 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.83 2b2v s ARG 23 CO -0.00 -0.60 0.36 0.42 -1.08 0.00 0.00 175.30 174.40 2b2v s ILE 24 N -3.53 5.20 0.20 4.99 1.09 -1.26 -0.52 121.20 127.37 2b2v s ILE 24 Ca 0.08 0.57 0.03 0.00 -1.10 0.00 0.00 60.65 60.23 2b2v s ILE 24 Cb -0.03 -3.69 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 2b2v s ILE 24 CO -0.01 0.20 -0.01 -0.83 -0.10 0.00 0.00 174.94 174.18 2b2v s GLY 25 N 1.45 1.38 -0.39 6.18 0.00 -0.74 -4.88 107.32 110.32 2b2v s GLY 25 Ca 0.15 -1.67 -0.44 0.00 0.00 0.00 0.00 44.72 42.76 2b2v s GLY 25 CO 0.09 -1.61 1.61 -2.13 0.00 0.00 0.00 173.10 171.06 2b2v n ARG 26 N -0.33 0.40 -1.52 2.90 0.63 -1.26 -0.26 116.66 117.22 2b2v n ARG 26 Ca -0.06 0.15 -0.47 0.00 -0.92 0.00 0.00 57.85 56.54 2b2v n ARG 26 Cb 0.63 -1.71 -0.03 0.00 0.45 0.00 0.00 32.46 31.80 2b2v n ARG 26 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 2b2v n LYS 27 N 4.28 0.78 0.00 -0.14 0.00 -1.26 -0.81 118.16 121.01 2b2v n LYS 27 Ca 0.29 0.27 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 2b2v n LYS 27 Cb 0.01 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 2b2v n LYS 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2b2v n GLY 28 N 1.66 2.60 2.21 2.58 0.00 -1.26 -4.92 105.19 108.05 2b2v n GLY 28 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2b2v n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2v n ALA 29 N -1.10 7.08 -4.28 4.61 0.00 0.01 -4.84 120.51 121.99 2b2v n ALA 29 Ca 0.00 -2.91 -0.23 0.00 0.00 0.00 0.00 53.44 50.30 2b2v n ALA 29 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 16.46 2b2v n ALA 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2b2v n THR 30 N 3.03 0.00 -4.91 0.00 -2.24 -1.26 -4.86 114.28 104.04 2b2v n THR 30 Ca 0.64 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 2b2v n THR 30 Cb 0.50 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.57 2b2v n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2b2v n GLY 31 N -0.48 0.80 0.51 3.38 0.00 -0.62 -3.96 105.19 104.82 2b2v n GLY 31 Ca -0.02 -0.78 0.33 0.00 0.00 0.00 0.00 46.02 45.55 2b2v n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b2v h ALA 32 N -0.91 2.99 0.00 4.61 0.00 -1.99 0.32 119.26 124.28 2b2v h ALA 32 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2b2v h ALA 32 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2b2v h ALA 32 CO 0.00 -1.31 0.00 0.25 0.00 0.00 0.00 179.25 178.19 2b2v n THR 33 N -4.24 0.00 0.15 0.00 -2.24 -1.25 -2.86 114.28 103.85 2b2v n THR 33 Ca 0.24 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.07 2b2v n THR 33 Cb 1.15 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 69.08 2b2v n THR 33 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2b2v n THR 34 N -0.79 0.45 -1.48 4.28 -2.24 0.11 -4.27 114.28 110.35 2b2v n THR 34 Ca 0.12 -0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 60.82 2b2v n THR 34 Cb 0.05 0.89 0.09 0.00 -2.10 0.00 0.00 70.33 69.26 2b2v n THR 34 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2b2v s THR 35 N -0.91 2.10 0.30 4.28 -4.23 -1.13 -4.68 115.64 111.37 2b2v s THR 35 Ca 0.16 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2b2v s THR 35 Cb 0.09 -2.76 0.28 0.00 1.34 0.00 0.00 72.50 71.45 2b2v s THR 35 CO 0.13 -0.02 1.91 0.40 -0.54 0.00 0.00 174.62 176.50 2b2v h ILE 36 N -0.09 1.07 0.00 2.99 2.04 -1.81 -0.46 117.51 121.26 2b2v h ILE 36 Ca -0.49 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 64.91 2b2v h ILE 36 Cb 1.32 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2b2v h ILE 36 CO 0.50 0.19 -0.48 0.10 0.00 0.00 0.00 178.15 178.46 2b2v h TYR 37 N 1.05 0.00 -0.16 1.37 -0.00 -1.90 -0.37 116.97 116.96 2b2v h TYR 37 Ca 0.39 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.92 2b2v h TYR 37 Cb 0.18 0.00 0.01 0.00 0.00 0.00 0.00 36.73 36.92 2b2v h TYR 37 CO -0.00 0.48 -0.67 0.00 -0.00 0.00 0.00 178.16 177.97 2b2v h ALA 38 N 1.52 0.30 0.25 0.10 0.00 -1.69 0.45 119.26 120.18 2b2v h ALA 38 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2b2v h ALA 38 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2b2v h ALA 38 CO 0.06 0.60 -0.12 0.28 0.00 0.00 0.00 179.25 180.07 2b2v h VAL 39 N 0.45 0.81 -0.86 0.00 2.07 -0.95 1.03 116.25 118.80 2b2v h VAL 39 Ca -0.04 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2b2v h VAL 39 Cb 1.30 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2b2v h VAL 39 CO 0.14 0.10 0.56 -0.33 0.02 0.00 0.00 177.57 178.06 2b2v h GLU 40 N -0.57 1.14 0.59 1.57 5.08 -1.16 0.43 114.58 121.65 2b2v h GLU 40 Ca -0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2b2v h GLU 40 Cb 0.42 -0.25 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2b2v h GLU 40 CO 0.06 0.77 -0.28 0.00 -1.00 0.00 0.00 179.01 178.55 2b2v h ALA 41 N 1.44 -0.95 -0.07 3.43 0.00 -0.61 -3.40 119.26 119.10 2b2v h ALA 41 Ca 0.31 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2b2v h ALA 41 Cb -0.12 0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2b2v h ALA 41 CO -0.07 -0.89 0.00 -0.25 0.00 0.00 0.00 179.25 178.04 2b2v n ASP 42 N -4.72 2.37 0.00 0.00 8.00 0.35 -5.06 116.55 117.49 2b2v n ASP 42 Ca -0.10 -2.33 0.00 0.00 0.71 0.00 0.00 54.79 53.07 2b2v n ASP 42 Cb 0.31 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2b2v n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2b2v n GLY 43 N -0.56 2.40 3.68 0.44 0.00 0.15 -4.93 105.19 106.37 2b2v n GLY 43 Ca 0.07 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.73 2b2v n GLY 43 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b2v s ASP 44 N 0.00 6.76 0.00 1.61 2.15 -1.25 -4.03 116.67 121.91 2b2v s ASP 44 Ca 0.00 0.92 0.21 0.00 0.43 0.00 0.00 52.55 54.11 2b2v s ASP 44 Cb 0.00 -2.36 0.91 0.00 -0.30 0.00 0.00 42.92 41.17 2b2v s ASP 44 CO 0.00 -0.21 1.67 -0.81 -0.17 0.00 0.00 175.17 175.65 2b2v n PRO 45 N 4.59 0.03 -1.13 4.34 -0.04 -1.26 -3.19 135.00 138.34 2b2v n PRO 45 Ca -0.02 0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.32 2b2v n PRO 45 Cb 0.50 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2b2v n PRO 45 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2b2v n ASN 46 N -1.48 7.01 -2.13 3.54 4.05 -1.26 -4.76 115.26 120.23 2b2v n ASN 46 Ca 0.06 -3.39 -0.22 0.00 0.45 0.00 0.00 54.58 51.47 2b2v n ASN 46 Cb 0.24 -1.04 0.16 0.00 1.23 0.00 0.00 39.78 40.38 2b2v n ASN 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2b2v n ALA 47 N -0.17 5.36 -1.84 5.20 0.00 -1.19 -2.78 120.51 125.09 2b2v n ALA 47 Ca 0.45 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 51.22 2b2v n ALA 47 Cb 0.60 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.63 2b2v n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b2v n GLY 48 N -1.01 0.92 3.72 0.00 0.00 -1.26 -5.05 105.19 102.51 2b2v n GLY 48 Ca 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.21 2b2v n GLY 48 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2b2v s PHE 49 N 0.00 2.01 0.02 1.61 2.19 -1.12 -5.02 117.98 117.67 2b2v s PHE 49 Ca 0.00 1.54 -0.28 0.00 0.33 0.00 0.00 56.93 58.53 2b2v s PHE 49 Cb 0.00 -3.62 0.08 0.00 -1.31 0.00 0.00 43.02 38.17 2b2v s PHE 49 CO 0.00 -2.87 0.72 -1.83 1.83 0.00 0.00 175.22 173.07 2b2v s GLU 50 N -3.61 1.05 0.00 10.12 -1.05 -1.26 -5.02 118.70 118.93 2b2v s GLU 50 Ca 0.79 -0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 2b2v s GLU 50 Cb -0.34 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 33.83 2b2v s GLU 50 CO 0.43 -0.40 0.07 0.36 0.95 0.00 0.00 175.26 176.67 2b2v n LYS 51 N 0.24 0.09 -0.77 -4.83 2.85 -1.26 -2.45 118.16 112.03 2b2v n LYS 51 Ca -0.16 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.16 2b2v n LYS 51 Cb 0.61 -1.27 0.11 0.00 -0.65 0.00 0.00 35.03 33.83 2b2v n LYS 51 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2b2v n ASN 52 N 0.73 1.38 -4.24 -5.58 0.23 -1.26 -5.02 115.26 101.50 2b2v n ASN 52 Ca 0.00 -2.94 -0.22 0.00 -0.53 0.00 0.00 54.58 50.89 2b2v n ASN 52 Cb 0.04 -0.40 -0.12 0.00 -2.08 0.00 0.00 39.78 37.21 2b2v n ASN 52 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 2b2v s LYS 53 N -1.77 1.01 -0.42 -3.83 -2.85 -1.03 -5.06 119.74 105.79 2b2v s LYS 53 Ca 0.31 -1.06 -0.02 0.00 -1.00 0.00 0.00 55.97 54.19 2b2v s LYS 53 Cb 0.31 -1.17 0.20 0.00 -2.06 0.00 0.00 37.83 35.11 2b2v s LYS 53 CO -0.07 0.27 2.27 0.39 0.10 0.00 0.00 175.35 178.31 2b2v n GLU 54 N 1.21 2.14 -0.06 1.78 -0.58 -1.26 -3.40 120.64 120.47 2b2v n GLU 54 Ca -0.20 -2.09 -0.13 0.00 -0.42 0.00 0.00 57.16 54.32 2b2v n GLU 54 Cb 0.54 -1.89 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 2b2v n GLU 54 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2b2v n PRO 55 N 0.35 0.28 -0.23 3.49 -0.04 -1.26 -4.92 135.00 132.66 2b2v n PRO 55 Ca 0.41 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.99 2b2v n PRO 55 Cb 0.57 -0.97 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 2b2v n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2b2v n GLY 56 N 2.22 0.00 3.68 0.55 0.00 -1.22 -4.05 105.19 106.37 2b2v n GLY 56 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2b2v n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2b2v n GLU 57 N 0.18 0.68 -3.97 1.61 1.02 0.64 -4.87 120.64 115.93 2b2v n GLU 57 Ca 0.00 -3.21 -0.35 0.00 -0.02 0.00 0.00 57.16 53.58 2b2v n GLU 57 Cb 0.00 0.18 -0.11 0.00 -0.02 0.00 0.00 31.44 31.49 2b2v n GLU 57 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2b2v s ILE 58 N -2.57 4.58 -0.07 -3.67 1.01 -1.26 -1.80 121.20 117.41 2b2v s ILE 58 Ca 0.39 -0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.97 2b2v s ILE 58 Cb -0.03 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.36 2b2v s ILE 58 CO 0.24 0.42 -0.18 -1.10 0.00 0.00 0.00 174.94 174.32 2b2v s GLN 59 N 0.79 2.24 -0.15 2.79 -0.21 0.33 -4.61 119.66 120.83 2b2v s GLN 59 Ca 0.03 -0.65 -0.03 0.00 0.02 0.00 0.00 55.36 54.73 2b2v s GLN 59 Cb -0.14 -1.80 -0.02 0.00 1.00 0.00 0.00 33.01 32.06 2b2v s GLN 59 CO 0.02 0.16 -0.06 0.71 -2.12 0.00 0.00 175.29 173.99 2b2v s TYR 60 N 0.34 2.95 -0.51 0.91 2.02 0.63 -1.01 117.35 122.70 2b2v s TYR 60 Ca -0.13 -0.46 -0.29 0.00 -0.37 0.00 0.00 57.07 55.83 2b2v s TYR 60 Cb -0.15 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2b2v s TYR 60 CO 0.05 -0.13 1.16 -1.17 -1.57 0.00 0.00 175.55 173.89 2b2v s LEU 61 N 0.46 3.58 -0.54 -1.29 2.96 -1.11 -1.02 118.68 121.72 2b2v s LEU 61 Ca -0.05 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 2b2v s LEU 61 Cb -0.15 -3.44 0.14 0.00 0.50 0.00 0.00 46.19 43.24 2b2v s LEU 61 CO 0.03 -1.33 0.35 0.27 -1.32 0.00 0.00 176.35 174.35 2b2v s ILE 62 N 4.63 3.49 0.18 6.68 -5.25 0.09 0.23 121.20 131.24 2b2v s ILE 62 Ca 0.47 -2.68 -0.32 0.00 -0.99 0.00 0.00 60.65 57.13 2b2v s ILE 62 Cb -0.07 -3.32 -0.16 0.00 2.95 0.00 0.00 42.46 41.86 2b2v s ILE 62 CO 0.30 -0.81 1.08 1.17 -1.79 0.00 0.00 174.94 174.89 2b2v n LYS 63 N 3.83 1.00 -4.75 0.37 4.81 -0.97 -3.50 118.16 118.96 2b2v n LYS 63 Ca 0.04 0.36 -0.33 0.00 -0.87 0.00 0.00 58.31 57.51 2b2v n LYS 63 Cb 0.39 -1.79 -0.12 0.00 0.02 0.00 0.00 35.03 33.52 2b2v n LYS 63 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2b2v s TRP 64 N -0.36 2.83 0.12 5.64 0.52 -1.26 -2.27 118.94 124.15 2b2v s TRP 64 Ca 0.72 -0.10 -0.35 0.00 0.02 0.00 0.00 56.10 56.38 2b2v s TRP 64 Cb -0.87 -1.69 -0.16 0.00 -1.15 0.00 0.00 33.47 29.60 2b2v s TRP 64 CO 0.54 0.23 1.35 1.17 0.02 0.00 0.00 176.95 180.26 2b2v n LYS 65 N 2.36 1.34 -1.08 4.98 4.81 0.43 -1.74 118.16 129.26 2b2v n LYS 65 Ca -0.18 0.48 -0.03 0.00 -0.87 0.00 0.00 58.31 57.72 2b2v n LYS 65 Cb 0.53 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.44 2b2v n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2b2v n GLY 66 N 2.56 0.59 2.95 3.14 0.00 -1.26 -4.65 105.19 108.51 2b2v n GLY 66 Ca 0.17 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 2b2v n GLY 66 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2b2v s TRP 67 N -1.96 0.28 0.78 1.61 0.52 -0.71 -5.15 118.94 114.31 2b2v s TRP 67 Ca 0.00 -0.26 -0.08 0.00 0.02 0.00 0.00 56.10 55.78 2b2v s TRP 67 Cb 0.00 -0.18 0.11 0.00 -1.15 0.00 0.00 33.47 32.25 2b2v s TRP 67 CO 0.00 -0.07 1.10 -1.54 0.02 0.00 0.00 176.95 176.46 2b2v s SER 68 N -0.73 4.27 0.50 2.95 1.04 -1.26 -4.45 113.70 116.02 2b2v s SER 68 Ca -0.06 0.27 0.15 0.00 0.48 0.00 0.00 55.95 56.79 2b2v s SER 68 Cb -0.05 -0.70 1.18 0.00 0.10 0.00 0.00 66.02 66.55 2b2v s SER 68 CO -0.00 -1.96 2.11 0.45 0.98 0.00 0.00 173.24 174.82 2b2v h HIS 69 N -0.88 0.04 -0.15 5.02 3.86 -2.00 -1.69 115.15 119.36 2b2v h HIS 69 Ca -0.43 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 58.82 2b2v h HIS 69 Cb 1.29 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 2b2v h HIS 69 CO -0.15 0.06 0.19 -0.84 0.86 0.00 0.00 177.93 178.05 2b2v h ILE 70 N 0.05 0.39 -0.13 2.45 3.07 -2.03 0.77 117.51 122.08 2b2v h ILE 70 Ca 0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.42 2b2v h ILE 70 Cb 0.06 0.84 0.00 0.00 -0.27 0.00 0.00 36.82 37.45 2b2v h ILE 70 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 2b2v n HIS 71 N -3.66 0.16 -2.02 0.16 8.25 -0.63 -3.69 115.22 113.79 2b2v n HIS 71 Ca 0.01 -0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 57.00 2b2v n HIS 71 Cb 0.30 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.42 2b2v n HIS 71 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2b2v s ASN 72 N -1.64 5.97 0.14 0.41 0.01 0.26 -4.87 114.94 115.23 2b2v s ASN 72 Ca 0.33 2.61 0.06 0.00 -0.71 0.00 0.00 52.86 55.15 2b2v s ASN 72 Cb 0.18 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 39.17 2b2v s ASN 72 CO 0.27 -1.08 -0.14 0.42 -1.51 0.00 0.00 177.10 175.06 2b2v s THR 73 N -1.34 1.39 -0.31 1.60 -4.23 -1.23 -4.28 115.64 107.24 2b2v s THR 73 Ca 0.63 -1.81 -0.25 0.00 -1.18 0.00 0.00 61.69 59.08 2b2v s THR 73 Cb -0.36 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 71.84 2b2v s THR 73 CO 0.45 -0.45 0.84 0.26 -0.54 0.00 0.00 174.62 175.18 2b2v s TRP 74 N -2.32 3.19 0.00 3.99 0.52 -1.26 -0.73 118.94 122.34 2b2v s TRP 74 Ca 0.11 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.13 2b2v s TRP 74 Cb -0.04 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 2b2v s TRP 74 CO 0.03 -0.60 0.00 0.39 0.02 0.00 0.00 176.95 176.79 2b2v n GLU 75 N 6.33 2.47 -3.70 4.98 -0.58 -0.18 -1.59 120.64 128.36 2b2v n GLU 75 Ca 0.05 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.65 2b2v n GLU 75 Cb 0.48 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.26 2b2v n GLU 75 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2b2v s THR 76 N -0.26 0.02 0.04 2.62 2.01 -1.26 -0.27 115.64 118.54 2b2v s THR 76 Ca 0.00 -0.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 2b2v s THR 76 Cb 0.00 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 2b2v s THR 76 CO 0.00 -0.09 0.58 -0.62 -0.69 0.00 0.00 174.62 173.80 2b2v n GLU 77 N 1.95 -0.10 -0.24 4.92 1.02 -1.26 0.35 120.64 127.27 2b2v n GLU 77 Ca -0.17 0.57 0.02 0.00 -0.02 0.00 0.00 57.16 57.56 2b2v n GLU 77 Cb 0.57 -0.85 0.14 0.00 -0.02 0.00 0.00 31.44 31.28 2b2v n GLU 77 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2b2v h GLU 78 N 0.00 0.57 -0.32 3.49 4.81 -1.97 -0.32 114.58 120.83 2b2v h GLU 78 Ca 0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2b2v h GLU 78 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 2b2v h GLU 78 CO -0.22 0.37 0.07 1.79 -0.73 0.00 0.00 179.01 180.29 2b2v h THR 79 N 0.58 1.22 0.00 0.32 1.35 -0.49 0.11 112.91 116.00 2b2v h THR 79 Ca 0.35 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2b2v h THR 79 Cb 0.39 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2b2v h THR 79 CO -0.28 0.25 0.00 0.18 -0.25 0.00 0.00 175.52 175.42 2b2v n LEU 80 N -4.63 0.00 0.00 3.87 4.32 0.38 -2.22 117.00 118.71 2b2v n LEU 80 Ca -0.02 0.68 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 2b2v n LEU 80 Cb 0.20 -0.18 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2b2v n LEU 80 CO 0.38 -0.18 0.00 0.29 -1.22 0.00 0.00 177.39 176.66 2b2v n LYS 81 N -1.10 0.00 0.00 3.23 5.02 -0.15 0.19 118.16 125.35 2b2v n LYS 81 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2b2v n LYS 81 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2b2v n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b2v n GLN 82 N -0.38 0.00 0.03 1.97 -0.00 0.38 0.98 117.38 120.36 2b2v n GLN 82 Ca 0.00 0.48 0.07 0.00 -0.00 0.00 0.00 57.00 57.55 2b2v n GLN 82 Cb 0.00 -1.50 -0.09 0.00 -0.00 0.00 0.00 30.24 28.65 2b2v n GLN 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2b2v n GLN 83 N -1.49 0.64 -2.07 2.61 6.02 0.49 -5.01 117.38 118.57 2b2v n GLN 83 Ca 0.00 0.01 -0.06 0.00 -0.01 0.00 0.00 57.00 56.94 2b2v n GLN 83 Cb 0.01 -1.68 -0.00 0.00 1.02 0.00 0.00 30.24 29.58 2b2v n GLN 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2b2v n ASN 84 N -2.57 -2.44 -4.68 1.08 3.02 0.28 -4.88 115.26 105.07 2b2v n ASN 84 Ca -0.06 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.14 2b2v n ASN 84 Cb 0.66 -1.73 0.11 0.00 -0.61 0.00 0.00 39.78 38.21 2b2v n ASN 84 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2b2v n VAL 85 N -3.95 2.72 -2.57 2.41 0.24 -1.26 -4.65 118.33 111.27 2b2v n VAL 85 Ca -0.07 -0.29 -0.22 0.00 -2.04 0.00 0.00 64.34 61.72 2b2v n VAL 85 Cb 0.54 -1.24 0.06 0.00 -1.47 0.00 0.00 33.84 31.73 2b2v n VAL 85 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2b2v s ARG 86 N -3.84 2.24 0.00 7.34 1.81 -1.01 -4.56 118.95 120.91 2b2v s ARG 86 Ca 0.75 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.93 2b2v s ARG 86 Cb -0.32 -2.40 0.00 0.00 -0.45 0.00 0.00 34.95 31.78 2b2v s ARG 86 CO 0.49 -1.00 0.00 0.41 -0.68 0.00 0.00 175.30 174.52 2b2v n GLY 87 N -2.56 0.42 0.32 -3.53 0.00 -1.26 -2.12 105.19 96.46 2b2v n GLY 87 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 2b2v n GLY 87 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2b2v h MET 88 N 3.55 0.08 -0.60 1.61 2.86 -1.94 0.37 114.93 120.86 2b2v h MET 88 Ca 0.00 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.70 2b2v h MET 88 Cb 0.00 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 31.56 2b2v h MET 88 CO 0.00 0.05 -0.31 1.17 1.06 0.00 0.00 176.91 178.88 2b2v n LYS 89 N -5.38 -0.22 -0.35 1.72 3.00 -1.26 0.91 118.16 116.59 2b2v n LYS 89 Ca 0.23 0.92 -0.00 0.00 -0.00 0.00 0.00 58.31 59.45 2b2v n LYS 89 Cb 0.75 -1.35 0.05 0.00 0.00 0.00 0.00 35.03 34.47 2b2v n LYS 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2b2v n LYS 90 N -4.81 -0.20 -0.04 1.64 4.76 0.13 -0.66 118.16 118.98 2b2v n LYS 90 Ca 0.03 1.39 -0.10 0.00 -2.87 0.00 0.00 58.31 56.77 2b2v n LYS 90 Cb 0.19 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.28 2b2v n LYS 90 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2b2v h LEU 91 N 0.00 -1.04 -0.80 -0.35 6.46 0.43 0.51 115.31 120.52 2b2v h LEU 91 Ca 0.32 0.16 0.16 0.00 -0.12 0.00 0.00 57.88 58.40 2b2v h LEU 91 Cb 0.55 0.46 -0.15 0.00 -0.73 0.00 0.00 40.66 40.79 2b2v h LEU 91 CO -0.90 -0.35 -0.23 0.44 -0.62 0.00 0.00 178.44 176.79 2b2v h ASP 92 N -0.34 -0.85 -0.18 1.25 3.32 -0.52 0.82 116.42 119.93 2b2v h ASP 92 Ca 0.12 0.25 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 2b2v h ASP 92 Cb 0.54 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2b2v h ASP 92 CO -0.42 -0.27 -0.34 0.78 -1.72 0.00 0.00 179.24 177.27 2b2v h ASN 93 N -0.02 0.71 -0.19 6.45 2.35 -0.19 -2.99 115.58 121.70 2b2v h ASN 93 Ca 0.37 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.69 2b2v h ASN 93 Cb 0.59 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.76 2b2v h ASN 93 CO -0.83 0.99 -0.39 0.22 -1.65 0.00 0.00 177.43 175.77 2b2v h TYR 94 N 0.58 0.77 -0.86 1.19 3.20 0.14 -3.39 116.97 118.59 2b2v h TYR 94 Ca 0.06 -0.28 -0.36 0.00 3.14 0.00 0.00 58.73 61.30 2b2v h TYR 94 Cb 0.85 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 2b2v h TYR 94 CO 0.04 1.03 1.33 1.63 -1.64 0.00 0.00 178.16 180.56 2b2v n LYS 95 N -4.26 0.63 -3.63 1.82 5.02 0.27 -4.71 118.16 113.31 2b2v n LYS 95 Ca -0.06 -0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.00 2b2v n LYS 95 Cb 0.53 -2.90 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 2b2v n LYS 95 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2b2v s LYS 96 N 8.46 0.15 0.00 1.97 2.47 -1.26 -4.88 119.74 126.65 2b2v s LYS 96 Ca 1.08 -0.00 0.00 0.00 -1.56 0.00 0.00 55.97 55.48 2b2v s LYS 96 Cb -0.44 0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.00 2b2v s LYS 96 CO 0.29 -0.05 0.00 1.63 0.16 0.00 0.00 175.35 177.38