#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b5u s LEU 2 N 0.00 4.33 -0.01 0.99 2.96 -0.36 -2.40 118.68 124.19 2b5u s LEU 2 Ca 0.00 1.26 0.03 0.00 -0.22 0.00 0.00 54.13 55.20 2b5u s LEU 2 Cb 0.00 -3.15 -0.01 0.00 0.50 0.00 0.00 46.19 43.53 2b5u s LEU 2 CO 0.00 -0.13 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.26 2b5u s LYS 3 N 0.78 0.90 -0.35 1.98 1.02 0.57 -0.13 119.74 124.51 2b5u s LYS 3 Ca 0.39 -0.38 -0.21 0.00 0.02 0.00 0.00 55.97 55.79 2b5u s LYS 3 Cb -0.18 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2b5u s LYS 3 CO 0.20 0.22 0.68 -0.51 -0.92 0.00 0.00 175.35 175.01 2b5u s LEU 4 N -0.20 4.21 -0.53 3.17 1.02 -1.26 -1.43 118.68 123.67 2b5u s LEU 4 Ca 0.03 0.23 -0.18 0.00 0.02 0.00 0.00 54.13 54.22 2b5u s LEU 4 Cb -0.05 -2.86 0.07 0.00 0.02 0.00 0.00 46.19 43.38 2b5u s LEU 4 CO -0.00 -0.63 0.61 -0.62 0.02 0.00 0.00 176.35 175.73 2b5u s ASP 5 N 1.79 6.20 -0.18 2.29 -1.08 -0.59 -1.21 116.67 123.90 2b5u s ASP 5 Ca 0.26 -1.13 -0.09 0.00 -0.52 0.00 0.00 52.55 51.08 2b5u s ASP 5 Cb -0.14 -2.28 -0.05 0.00 -1.46 0.00 0.00 42.92 39.00 2b5u s ASP 5 CO 0.15 -0.92 0.10 -0.22 0.52 0.00 0.00 175.17 174.81 2b5u s LEU 6 N 2.48 4.07 0.07 -1.34 2.96 -0.11 -1.49 118.68 125.31 2b5u s LEU 6 Ca 0.12 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 2b5u s LEU 6 Cb -0.22 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.41 2b5u s LEU 6 CO 0.09 0.21 -0.13 0.42 -1.32 0.00 0.00 176.35 175.62 2b5u s THR 7 N 0.19 1.03 0.00 3.68 -4.23 -0.02 -0.68 115.64 115.61 2b5u s THR 7 Ca 0.07 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.26 2b5u s THR 7 Cb -0.12 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.71 2b5u s THR 7 CO -0.01 -0.25 0.08 -1.66 -0.54 0.00 0.00 174.62 172.24 2b5u s TRP 8 N -1.30 0.10 0.12 3.99 -2.14 -0.61 -0.45 118.94 118.66 2b5u s TRP 8 Ca -0.03 -0.23 0.04 0.00 2.66 0.00 0.00 56.10 58.54 2b5u s TRP 8 Cb -0.10 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.14 2b5u s TRP 8 CO 0.02 -0.23 -0.09 -0.06 -2.66 0.00 0.00 176.95 173.92 2b5u s PHE 9 N -1.28 1.14 0.13 1.66 0.40 -0.10 -1.42 117.98 118.52 2b5u s PHE 9 Ca -0.14 -0.76 -0.31 0.00 -0.60 0.00 0.00 56.93 55.12 2b5u s PHE 9 Cb -0.08 -0.60 -0.07 0.00 0.51 0.00 0.00 43.02 42.77 2b5u s PHE 9 CO 0.01 0.02 1.29 0.34 0.70 0.00 0.00 175.22 177.58 2b5u s ASP 10 N -2.96 6.95 0.24 1.36 -1.08 -0.64 -0.33 116.67 120.21 2b5u s ASP 10 Ca 0.13 2.24 -0.06 0.00 -0.52 0.00 0.00 52.55 54.35 2b5u s ASP 10 Cb 0.02 -2.59 0.34 0.00 -1.46 0.00 0.00 42.92 39.23 2b5u s ASP 10 CO -0.01 -0.54 1.83 0.11 0.52 0.00 0.00 175.17 177.09 2b5u h LYS 11 N 6.27 0.85 0.00 4.34 1.57 -1.78 0.41 116.57 128.23 2b5u h LYS 11 Ca -0.43 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 2b5u h LYS 11 Cb 1.21 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2b5u h LYS 11 CO 0.81 0.56 -0.15 0.66 -0.57 0.00 0.00 179.45 180.76 2b5u h SER 12 N 0.87 0.00 1.66 0.86 4.64 -1.92 -3.37 113.55 116.29 2b5u h SER 12 Ca 0.37 -0.50 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 2b5u h SER 12 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2b5u h SER 12 CO -0.20 0.84 -0.03 0.71 -0.87 0.00 0.00 176.83 177.28 2b5u h THR 13 N -1.00 0.05 -0.63 2.95 1.35 -1.98 -3.46 112.91 110.20 2b5u h THR 13 Ca -0.03 -0.91 -0.27 0.00 -0.55 0.00 0.00 66.41 64.65 2b5u h THR 13 Cb 0.61 1.87 -0.11 0.00 -1.73 0.00 0.00 68.15 68.79 2b5u h THR 13 CO -0.02 0.03 -0.24 -0.62 -0.25 0.00 0.00 175.52 174.41 2b5u n GLU 14 N -3.11 -1.47 -3.08 4.72 1.02 0.14 -4.96 120.64 113.91 2b5u n GLU 14 Ca 0.03 0.95 -0.36 0.00 -0.02 0.00 0.00 57.16 57.75 2b5u n GLU 14 Cb 0.47 -5.27 -0.06 0.00 -0.02 0.00 0.00 31.44 26.56 2b5u n GLU 14 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2b5u s ASP 15 N -2.56 7.08 0.21 1.62 1.01 -1.26 -4.69 116.67 118.08 2b5u s ASP 15 Ca 0.00 1.45 -0.32 0.00 0.71 0.00 0.00 52.55 54.39 2b5u s ASP 15 Cb 0.00 -2.43 -0.12 0.00 1.01 0.00 0.00 42.92 41.38 2b5u s ASP 15 CO 0.00 0.02 1.70 0.33 0.21 0.00 0.00 175.17 177.43 2b5u n PHE 16 N 0.70 2.69 0.04 4.23 -0.00 -1.26 -1.62 117.46 122.24 2b5u n PHE 16 Ca -0.02 0.08 0.01 0.00 -0.00 0.00 0.00 57.45 57.52 2b5u n PHE 16 Cb 0.51 -2.66 -0.02 0.00 -0.00 0.00 0.00 39.48 37.31 2b5u n PHE 16 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2b5u n LYS 17 N 3.83 1.90 0.00 -4.13 5.02 -0.50 -4.89 118.16 119.38 2b5u n LYS 17 Ca 0.16 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2b5u n LYS 17 Cb 0.34 -0.94 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 2b5u n LYS 17 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2b5u n GLY 18 N 1.95 1.52 3.22 0.72 0.00 -1.13 -5.00 105.19 106.48 2b5u n GLY 18 Ca -0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2b5u n GLY 18 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2b5u s GLU 19 N -2.00 0.50 -0.08 1.61 2.12 -1.26 -1.57 118.70 118.02 2b5u s GLU 19 Ca 0.00 0.16 -0.08 0.00 0.36 0.00 0.00 54.97 55.41 2b5u s GLU 19 Cb 0.00 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.64 2b5u s GLU 19 CO 0.00 -0.10 0.23 -2.00 -0.54 0.00 0.00 175.26 172.84 2b5u s GLU 20 N -0.50 0.29 -0.16 4.30 2.12 0.15 -5.01 118.70 119.89 2b5u s GLU 20 Ca -0.06 0.26 -0.05 0.00 0.36 0.00 0.00 54.97 55.48 2b5u s GLU 20 Cb -0.04 0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 2b5u s GLU 20 CO 0.02 -0.04 0.01 0.71 -0.54 0.00 0.00 175.26 175.43 2b5u s TYR 21 N 0.00 3.15 1.07 5.30 1.51 -1.26 -0.93 117.35 126.19 2b5u s TYR 21 Ca -0.01 -0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.80 2b5u s TYR 21 Cb -0.02 -2.01 0.23 0.00 -0.11 0.00 0.00 41.96 40.05 2b5u s TYR 21 CO 0.00 0.09 1.16 -1.54 -1.11 0.00 0.00 175.55 174.16 2b5u s SER 22 N 0.28 2.07 1.14 2.29 1.04 -0.35 -4.97 113.70 115.20 2b5u s SER 22 Ca 0.00 0.68 -0.14 0.00 0.48 0.00 0.00 55.95 56.97 2b5u s SER 22 Cb -0.13 -0.99 0.26 0.00 0.10 0.00 0.00 66.02 65.27 2b5u s SER 22 CO 0.01 -3.42 1.05 -1.59 0.98 0.00 0.00 173.24 170.27 2b5u s LYS 23 N -5.44 -0.75 -0.06 4.02 -2.85 -1.26 -4.57 119.74 108.84 2b5u s LYS 23 Ca 0.70 0.55 -0.24 0.00 -1.00 0.00 0.00 55.97 55.97 2b5u s LYS 23 Cb -0.10 -1.60 -0.04 0.00 -2.06 0.00 0.00 37.83 34.03 2b5u s LYS 23 CO 0.55 -3.53 0.74 0.34 0.10 0.00 0.00 175.35 173.55 2b5u s ASP 24 N -3.02 7.04 0.00 0.03 2.15 -1.26 -4.50 116.67 117.11 2b5u s ASP 24 Ca 0.68 1.26 0.21 0.00 0.43 0.00 0.00 52.55 55.12 2b5u s ASP 24 Cb -0.21 -2.44 0.54 0.00 -0.30 0.00 0.00 42.92 40.52 2b5u s ASP 24 CO 0.61 -0.14 1.45 0.49 -0.17 0.00 0.00 175.17 177.41 2b5u n PHE 25 N 3.82 0.47 0.00 -5.34 3.01 0.82 -4.91 117.46 115.32 2b5u n PHE 25 Ca -0.00 -0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.23 2b5u n PHE 25 Cb 0.51 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 2b5u n PHE 25 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b5u n GLY 26 N 1.36 3.39 1.70 1.37 0.00 -1.26 -1.36 105.19 110.39 2b5u n GLY 26 Ca 0.18 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2b5u n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2b5u n ASP 27 N 5.69 5.29 -4.37 1.61 8.00 -1.26 -1.23 116.55 130.27 2b5u n ASP 27 Ca 0.00 -2.81 -0.45 0.00 0.71 0.00 0.00 54.79 52.24 2b5u n ASP 27 Cb 0.00 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.42 2b5u n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2b5u s ASP 28 N -0.95 6.28 -0.35 -2.24 2.15 -0.46 -4.89 116.67 116.21 2b5u s ASP 28 Ca 0.52 -1.63 0.09 0.00 0.43 0.00 0.00 52.55 51.96 2b5u s ASP 28 Cb 0.38 -2.30 0.70 0.00 -0.30 0.00 0.00 42.92 41.40 2b5u s ASP 28 CO 0.17 -1.05 1.79 0.61 -0.17 0.00 0.00 175.17 176.52 2b5u n GLY 29 N 5.17 4.00 0.31 2.66 0.00 -1.26 -4.55 105.19 111.52 2b5u n GLY 29 Ca -0.04 -1.05 0.15 0.00 0.00 0.00 0.00 46.02 45.08 2b5u n GLY 29 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2b5u h SER 30 N 2.08 0.00 -0.89 1.61 4.64 -1.97 -0.82 113.55 118.20 2b5u h SER 30 Ca 0.34 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.74 2b5u h SER 30 Cb 2.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 64.40 2b5u h SER 30 CO 0.77 0.00 0.57 0.58 -0.87 0.00 0.00 176.83 177.89 2b5u h VAL 31 N 0.00 1.02 0.00 0.95 2.07 -2.01 0.53 116.25 118.82 2b5u h VAL 31 Ca 0.04 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2b5u h VAL 31 Cb 0.22 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2b5u h VAL 31 CO -0.00 0.17 -0.39 0.24 0.02 0.00 0.00 177.57 177.61 2b5u h MET 32 N 0.95 0.00 -0.15 1.57 2.86 -1.45 -2.84 114.93 115.87 2b5u h MET 32 Ca 0.39 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.89 2b5u h MET 32 Cb 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2b5u h MET 32 CO -0.16 0.39 -0.51 0.93 1.06 0.00 0.00 176.91 178.63 2b5u h GLU 33 N 0.00 0.42 0.00 1.72 5.08 -0.95 0.11 114.58 120.96 2b5u h GLU 33 Ca -0.00 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 2b5u h GLU 33 Cb 0.89 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2b5u h GLU 33 CO 0.05 0.83 -0.28 0.77 -1.00 0.00 0.00 179.01 179.38 2b5u h SER 34 N 0.33 0.00 0.65 1.42 0.02 -1.15 -2.34 113.55 112.48 2b5u h SER 34 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2b5u h SER 34 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2b5u h SER 34 CO 0.09 0.28 -0.62 0.18 -1.14 0.00 0.00 176.83 175.62 2b5u n LEU 35 N -3.47 0.59 -0.19 5.07 4.77 -1.00 -4.94 117.00 117.82 2b5u n LEU 35 Ca -0.00 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.05 2b5u n LEU 35 Cb 0.45 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.33 2b5u n LEU 35 CO 0.35 0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.03 2b5u n GLY 36 N 1.41 0.47 3.47 -0.72 0.00 -0.41 -5.02 105.19 104.40 2b5u n GLY 36 Ca 0.04 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2b5u n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b5u s VAL 37 N -2.09 5.14 0.62 1.61 1.01 0.25 -5.01 120.40 121.94 2b5u s VAL 37 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 61.24 2b5u s VAL 37 Cb 0.00 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2b5u s VAL 37 CO 0.00 -0.20 1.03 -2.65 0.00 0.00 0.00 175.10 173.28 2b5u n PRO 38 N 5.11 0.90 -0.05 2.72 -0.02 -1.26 -4.43 135.00 137.98 2b5u n PRO 38 Ca -0.12 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2b5u n PRO 38 Cb 0.48 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 2b5u n PRO 38 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 2b5u h PHE 39 N 0.42 1.06 -1.58 6.00 0.04 -1.97 -3.41 116.94 117.50 2b5u h PHE 39 Ca -0.49 -0.42 -0.73 0.00 2.80 0.00 0.00 57.97 59.13 2b5u h PHE 39 Cb 1.36 -0.18 0.02 0.00 2.20 0.00 0.00 35.95 39.35 2b5u h PHE 39 CO 0.38 1.25 0.85 1.17 -0.60 0.00 0.00 178.31 181.35 2b5u n LYS 40 N -4.01 1.19 -2.12 1.51 4.81 -1.26 -1.57 118.16 116.71 2b5u n LYS 40 Ca -0.06 0.44 -0.16 0.00 -0.87 0.00 0.00 58.31 57.65 2b5u n LYS 40 Cb 0.67 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.58 2b5u n LYS 40 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2b5u n ASP 41 N 5.04 -4.63 0.00 3.14 8.00 -1.26 -4.80 116.55 122.04 2b5u n ASP 41 Ca 0.25 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2b5u n ASP 41 Cb 0.14 -3.99 0.00 0.00 -0.02 0.00 0.00 41.12 37.26 2b5u n ASP 41 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2b5u n ASN 42 N -1.56 0.16 -4.67 -2.24 3.02 -0.61 -4.77 115.26 104.59 2b5u n ASN 42 Ca -0.18 -0.48 -0.38 0.00 -0.03 0.00 0.00 54.58 53.50 2b5u n ASN 42 Cb 0.61 0.45 -0.07 0.00 -0.61 0.00 0.00 39.78 40.16 2b5u n ASN 42 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2b5u s VAL 43 N -0.45 5.17 -1.44 2.41 1.01 -1.22 -3.72 120.40 122.15 2b5u s VAL 43 Ca 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 61.98 62.69 2b5u s VAL 43 Cb 0.00 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.64 2b5u s VAL 43 CO 0.00 0.23 0.99 0.59 0.00 0.00 0.00 175.10 176.91 2b5u n ASN 44 N 4.56 -5.88 -2.80 3.32 3.02 0.72 -4.92 115.26 113.28 2b5u n ASN 44 Ca -0.07 -0.53 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 2b5u n ASN 44 Cb 0.51 -4.67 0.04 0.00 -0.61 0.00 0.00 39.78 35.05 2b5u n ASN 44 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2b5u n ASN 45 N -2.84 -2.49 0.00 6.41 5.15 -1.24 -5.08 115.26 115.17 2b5u n ASN 45 Ca -0.01 -3.26 0.00 0.00 -0.60 0.00 0.00 54.58 50.71 2b5u n ASN 45 Cb 0.56 1.54 0.00 0.00 -0.53 0.00 0.00 39.78 41.36 2b5u n ASN 45 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2b5u n GLY 46 N 1.52 3.09 3.52 8.20 0.00 -1.26 -4.52 105.19 115.75 2b5u n GLY 46 Ca 0.10 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 2b5u n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b5u s PHE 48 N -0.77 2.63 0.24 0.00 0.40 0.27 -4.88 117.98 115.88 2b5u s PHE 48 Ca 0.12 -0.21 -0.30 0.00 -0.60 0.00 0.00 56.93 55.94 2b5u s PHE 48 Cb -0.11 -1.54 -0.09 0.00 0.51 0.00 0.00 43.02 41.79 2b5u s PHE 48 CO 0.01 0.23 1.31 -0.51 0.70 0.00 0.00 175.22 176.95 2b5u s ASP 49 N -1.15 6.87 -0.94 1.36 -0.00 -1.26 -1.08 116.67 120.46 2b5u s ASP 49 Ca 0.14 2.49 -0.22 0.00 -0.00 0.00 0.00 52.55 54.96 2b5u s ASP 49 Cb -0.11 -2.62 0.08 0.00 -0.00 0.00 0.00 42.92 40.27 2b5u s ASP 49 CO 0.04 -0.52 1.29 -0.69 -0.00 0.00 0.00 175.17 175.28 2b5u s VAL 50 N -0.30 4.22 0.79 -1.27 1.01 -0.11 -4.89 120.40 119.86 2b5u s VAL 50 Ca 0.54 -0.94 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 2b5u s VAL 50 Cb -0.38 -4.92 0.07 0.00 0.00 0.00 0.00 36.38 31.15 2b5u s VAL 50 CO 0.42 -1.75 1.10 0.27 0.00 0.00 0.00 175.10 175.15 2b5u s ILE 51 N 4.15 3.07 0.16 2.22 -4.36 -1.26 -4.75 121.20 120.43 2b5u s ILE 51 Ca 0.39 0.36 -0.20 0.00 -0.26 0.00 0.00 60.65 60.94 2b5u s ILE 51 Cb -0.03 -2.76 0.07 0.00 1.25 0.00 0.00 42.46 40.98 2b5u s ILE 51 CO -0.07 -0.44 1.64 0.00 0.24 0.00 0.00 174.94 176.31 2b5u h ALA 52 N -1.18 0.03 0.00 2.27 0.00 -2.01 -1.68 119.26 116.69 2b5u h ALA 52 Ca -0.44 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2b5u h ALA 52 Cb 1.24 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2b5u h ALA 52 CO 0.50 -0.59 0.04 1.05 0.00 0.00 0.00 179.25 180.25 2b5u h GLU 53 N -0.16 0.00 0.00 0.00 9.09 -2.02 -2.13 114.58 119.36 2b5u h GLU 53 Ca 0.17 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.50 2b5u h GLU 53 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 2b5u h GLU 53 CO -0.43 0.00 -0.65 -1.49 0.05 0.00 0.00 179.01 176.50 2b5u h TRP 54 N 0.00 0.00 -0.33 2.06 4.06 -1.66 -3.38 115.95 116.70 2b5u h TRP 54 Ca 0.00 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.02 2b5u h TRP 54 Cb 0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.18 2b5u h TRP 54 CO 0.00 0.32 -0.14 0.28 -3.56 0.00 0.00 178.44 175.34 2b5u h VAL 55 N 0.00 0.55 -0.02 1.49 2.07 -1.43 -1.11 116.25 117.80 2b5u h VAL 55 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2b5u h VAL 55 Cb 1.27 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2b5u h VAL 55 CO 0.04 0.00 0.01 -0.65 0.02 0.00 0.00 177.57 176.99 2b5u h PRO 56 N -0.08 0.00 0.00 1.57 0.11 -1.78 0.82 132.00 132.64 2b5u h PRO 56 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2b5u h PRO 56 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2b5u h PRO 56 CO -0.38 0.00 -0.35 -0.07 -0.21 0.00 0.00 178.00 176.99 2b5u h LEU 57 N 0.00 0.00 0.00 2.35 4.07 -1.48 -3.39 115.31 116.87 2b5u h LEU 57 Ca 0.01 -0.06 -0.23 0.00 0.08 0.00 0.00 57.88 57.68 2b5u h LEU 57 Cb 0.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 2b5u h LEU 57 CO -0.00 0.03 -1.86 0.18 -1.08 0.00 0.00 178.44 175.70 2b5u n LEU 58 N -2.54 1.42 -0.28 1.67 4.77 -0.53 -4.61 117.00 116.90 2b5u n LEU 58 Ca 0.03 -0.04 0.32 0.00 -0.03 0.00 0.00 56.01 56.30 2b5u n LEU 58 Cb 0.48 -0.10 0.72 0.00 -2.33 0.00 0.00 43.42 42.19 2b5u n LEU 58 CO 0.35 0.52 1.30 -0.61 -1.33 0.00 0.00 177.39 177.62 2b5u h GLN 59 N 0.00 0.04 0.00 3.23 5.75 -1.05 -0.06 115.11 123.02 2b5u h GLN 59 Ca -0.34 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.15 2b5u h GLN 59 Cb 1.65 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 30.19 2b5u h GLN 59 CO -0.02 0.02 -0.01 -1.35 -2.65 0.00 0.00 178.83 174.82 2b5u h PRO 60 N 0.04 0.00 -0.32 -2.39 0.11 -1.81 -2.77 132.00 124.85 2b5u h PRO 60 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2b5u h PRO 60 Cb 2.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.15 2b5u h PRO 60 CO -0.03 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.43 2b5u n TYR 61 N -3.19 0.41 -4.61 0.65 4.01 -0.04 -4.95 117.16 109.44 2b5u n TYR 61 Ca -0.02 -0.21 -0.22 0.00 -0.16 0.00 0.00 57.90 57.29 2b5u n TYR 61 Cb 0.15 -0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.03 2b5u n TYR 61 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2b5u s PHE 62 N -1.58 1.23 0.20 -0.72 0.08 -1.05 -4.49 117.98 111.65 2b5u s PHE 62 Ca 0.37 -0.26 0.01 0.00 0.12 0.00 0.00 56.93 57.17 2b5u s PHE 62 Cb 0.22 -0.81 0.13 0.00 -0.57 0.00 0.00 43.02 41.99 2b5u s PHE 62 CO 0.31 -0.05 1.48 -0.91 -0.10 0.00 0.00 175.22 175.95 2b5u h ASN 63 N 5.94 0.39 -3.95 1.36 2.35 -1.92 -3.44 115.58 116.31 2b5u h ASN 63 Ca -0.34 -0.25 -0.52 0.00 -0.55 0.00 0.00 56.30 54.64 2b5u h ASN 63 Cb 1.17 -0.12 0.08 0.00 0.05 0.00 0.00 38.32 39.50 2b5u h ASN 63 CO 0.49 0.96 0.60 -2.28 -1.65 0.00 0.00 177.43 175.55 2b5u s HIS 64 N -3.66 2.83 -0.82 1.19 2.46 -1.26 -4.94 115.29 111.09 2b5u s HIS 64 Ca -0.05 1.43 -0.17 0.00 0.47 0.00 0.00 55.06 56.74 2b5u s HIS 64 Cb 0.11 -3.64 0.16 0.00 -0.13 0.00 0.00 32.58 29.08 2b5u s HIS 64 CO 0.82 -2.02 0.90 -0.65 -2.47 0.00 0.00 174.74 171.32 2b5u s GLN 65 N -2.27 3.49 -0.29 2.88 1.11 -1.26 -5.01 119.66 118.31 2b5u s GLN 65 Ca 0.57 -1.95 -0.43 0.00 0.01 0.00 0.00 55.36 53.56 2b5u s GLN 65 Cb -0.37 -4.59 -0.19 0.00 -1.01 0.00 0.00 33.01 26.85 2b5u s GLN 65 CO 0.47 -1.53 1.46 -0.89 0.01 0.00 0.00 175.29 174.82 2b5u n ILE 66 N 4.89 0.05 -3.74 1.08 5.41 -1.26 -4.92 119.36 120.87 2b5u n ILE 66 Ca 0.13 -0.01 -0.29 0.00 1.00 0.00 0.00 62.75 63.58 2b5u n ILE 66 Cb 0.47 -0.52 -0.13 0.00 -0.71 0.00 0.00 39.64 38.76 2b5u n ILE 66 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2b5u s ASP 67 N 2.10 3.69 0.00 4.38 3.68 -1.26 -4.97 116.67 124.29 2b5u s ASP 67 Ca 0.99 -2.97 0.24 0.00 2.13 0.00 0.00 52.55 52.94 2b5u s ASP 67 Cb -1.32 -1.15 1.21 0.00 -1.45 0.00 0.00 42.92 40.20 2b5u s ASP 67 CO 0.70 -0.22 1.78 2.30 0.13 0.00 0.00 175.17 179.87 2b5u n ILE 68 N 3.10 0.24 0.05 4.11 -5.35 -1.26 -1.37 119.36 118.87 2b5u n ILE 68 Ca 0.13 0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.61 2b5u n ILE 68 Cb 0.36 -0.67 -0.11 0.00 -1.74 0.00 0.00 39.64 37.48 2b5u n ILE 68 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 2b5u h SER 69 N 0.00 0.00 0.00 7.28 4.64 -2.01 -3.36 113.55 120.10 2b5u h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b5u h SER 69 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2b5u h SER 69 CO 0.00 0.93 -1.61 0.47 -0.87 0.00 0.00 176.83 175.75 2b5u n ASP 70 N -3.25 1.58 -4.29 4.97 8.00 -1.12 -4.99 116.55 117.44 2b5u n ASP 70 Ca -0.04 -0.05 -0.18 0.00 0.71 0.00 0.00 54.79 55.23 2b5u n ASP 70 Cb 0.94 1.63 -0.10 0.00 -0.02 0.00 0.00 41.12 43.57 2b5u n ASP 70 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2b5u s ASN 71 N -3.61 1.45 -0.10 -2.24 0.01 -0.47 -2.43 114.94 107.54 2b5u s ASN 71 Ca -0.05 -1.41 0.01 0.00 -0.71 0.00 0.00 52.86 50.70 2b5u s ASN 71 Cb 0.10 0.16 -0.02 0.00 0.41 0.00 0.00 41.25 41.90 2b5u s ASN 71 CO 0.61 -0.74 -0.13 -1.61 -1.51 0.00 0.00 177.10 173.72 2b5u s GLU 72 N -3.98 3.11 0.07 -0.60 2.02 0.55 -4.35 118.70 115.52 2b5u s GLU 72 Ca 0.37 -0.68 0.07 0.00 0.02 0.00 0.00 54.97 54.75 2b5u s GLU 72 Cb 0.07 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 2b5u s GLU 72 CO 0.14 0.35 -0.16 0.71 0.02 0.00 0.00 175.26 176.32 2b5u s TYR 73 N -0.00 2.59 0.04 1.61 1.51 -1.26 -0.92 117.35 120.91 2b5u s TYR 73 Ca -0.04 -0.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2b5u s TYR 73 Cb -0.14 -1.43 -0.02 0.00 -0.11 0.00 0.00 41.96 40.25 2b5u s TYR 73 CO 0.04 0.32 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.66 2b5u s PHE 74 N -1.03 0.68 -0.01 2.71 0.40 0.41 -0.94 117.98 120.21 2b5u s PHE 74 Ca 0.16 -0.50 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2b5u s PHE 74 Cb -0.11 -0.41 0.01 0.00 0.51 0.00 0.00 43.02 43.02 2b5u s PHE 74 CO 0.08 -0.08 0.03 0.54 0.70 0.00 0.00 175.22 176.48 2b5u s VAL 75 N -1.39 -0.01 0.19 -0.44 0.11 -0.24 -0.84 120.40 117.77 2b5u s VAL 75 Ca -0.10 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 2b5u s VAL 75 Cb -0.10 -0.06 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2b5u s VAL 75 CO 0.00 0.02 -0.19 -0.94 -3.33 0.00 0.00 175.10 170.66 2b5u s SER 76 N 0.27 2.95 -0.53 3.54 1.04 -0.56 -0.56 113.70 119.85 2b5u s SER 76 Ca -0.02 -0.90 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 2b5u s SER 76 Cb -0.03 -0.19 0.14 0.00 0.10 0.00 0.00 66.02 66.03 2b5u s SER 76 CO -0.01 -0.01 0.39 -0.36 0.98 0.00 0.00 173.24 174.23 2b5u s PHE 77 N -2.14 3.49 -0.10 5.02 0.08 -1.26 -1.54 117.98 121.53 2b5u s PHE 77 Ca 0.20 -2.20 -0.12 0.00 0.12 0.00 0.00 56.93 54.92 2b5u s PHE 77 Cb -0.05 -3.41 -0.05 0.00 -0.57 0.00 0.00 43.02 38.94 2b5u s PHE 77 CO 0.08 -0.95 0.28 -0.51 -0.10 0.00 0.00 175.22 174.03 2b5u s ASP 78 N 1.97 6.54 -0.06 1.36 1.01 -0.51 -0.20 116.67 126.77 2b5u s ASP 78 Ca 0.10 0.64 0.01 0.00 0.71 0.00 0.00 52.55 54.01 2b5u s ASP 78 Cb -0.22 -2.17 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2b5u s ASP 78 CO -0.03 0.26 -0.06 -0.47 0.21 0.00 0.00 175.17 175.08 2b5u s TYR 79 N -0.47 1.03 0.02 4.23 6.14 -1.26 -0.32 117.35 126.71 2b5u s TYR 79 Ca 0.18 -0.37 0.02 0.00 0.64 0.00 0.00 57.07 57.55 2b5u s TYR 79 Cb -0.14 -0.87 -0.01 0.00 0.42 0.00 0.00 41.96 41.36 2b5u s TYR 79 CO 0.07 -0.28 -0.07 1.03 0.64 0.00 0.00 175.55 176.94 2b5u s ARG 80 N 1.11 0.50 0.34 4.97 0.52 -1.01 -4.96 118.95 120.43 2b5u s ARG 80 Ca -0.07 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.40 2b5u s ARG 80 Cb -0.14 -0.40 -0.10 0.00 0.52 0.00 0.00 34.95 34.82 2b5u s ARG 80 CO -0.01 0.10 1.35 -0.51 0.02 0.00 0.00 175.30 176.25 2b5u s ASP 81 N -0.76 6.67 0.87 0.23 1.11 -1.26 0.85 116.67 124.38 2b5u s ASP 81 Ca -0.03 2.77 0.00 0.00 0.18 0.00 0.00 52.55 55.47 2b5u s ASP 81 Cb -0.06 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.28 2b5u s ASP 81 CO 0.00 -0.62 0.00 0.61 1.18 0.00 0.00 175.17 176.34 2b5u n GLY 82 N 0.81 -0.49 3.80 0.21 0.00 -1.26 -4.56 105.19 103.70 2b5u n GLY 82 Ca 0.01 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 2b5u n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2b5u s ASP 83 N -4.00 5.89 0.00 1.61 1.01 -1.26 -0.88 116.67 119.04 2b5u s ASP 83 Ca 0.00 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.10 2b5u s ASP 83 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2b5u s ASP 83 CO 0.00 -1.09 0.00 -2.67 0.21 0.00 0.00 175.17 171.62