#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8o s LEU 2 N 0.00 3.98 0.14 2.89 2.96 -1.26 -5.02 118.68 122.37 1r8o s LEU 2 Ca 0.00 0.73 0.01 0.00 -0.22 0.00 0.00 54.13 54.65 1r8o s LEU 2 Cb 0.00 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.32 1r8o s LEU 2 CO 0.00 -0.84 0.01 0.68 -1.32 0.00 0.00 176.35 174.88 1r8o s VAL 3 N 3.48 0.49 0.68 1.68 -7.23 -1.26 -4.26 120.40 113.98 1r8o s VAL 3 Ca 0.40 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 1r8o s VAL 3 Cb -0.12 -2.00 0.16 0.00 0.56 0.00 0.00 36.38 34.97 1r8o s VAL 3 CO 0.17 -0.56 0.92 -0.90 -0.31 0.00 0.00 175.10 174.42 1r8o n ASP 4 N -0.15 0.01 0.29 4.85 5.68 0.39 -4.87 116.55 122.75 1r8o n ASP 4 Ca -0.07 -1.32 0.18 0.00 -0.50 0.00 0.00 54.79 53.08 1r8o n ASP 4 Cb 0.63 -0.71 0.86 0.00 -1.14 0.00 0.00 41.12 40.76 1r8o n ASP 4 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1r8o h THR 5 N -1.56 0.11 -0.50 2.12 1.35 -1.99 -0.25 112.91 112.19 1r8o h THR 5 Ca -0.30 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1r8o h THR 5 Cb 0.82 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1r8o h THR 5 CO 0.21 0.03 0.00 0.47 -0.25 0.00 0.00 175.52 175.98 1r8o n ASP 6 N -3.18 3.73 -0.42 5.36 8.00 -1.26 -4.95 116.55 123.83 1r8o n ASP 6 Ca -0.01 -2.33 -0.05 0.00 0.71 0.00 0.00 54.79 53.11 1r8o n ASP 6 Cb 0.23 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 1r8o n ASP 6 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r8o n GLY 7 N 0.95 0.79 3.89 0.44 0.00 -0.10 -5.04 105.19 106.13 1r8o n GLY 7 Ca 0.20 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 1r8o n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r8o s LYS 8 N -2.17 3.51 0.67 1.61 -0.14 -1.26 -4.78 119.74 117.18 1r8o s LYS 8 Ca 0.00 -0.20 -0.17 0.00 -1.36 0.00 0.00 55.97 54.25 1r8o s LYS 8 Cb 0.00 -3.09 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 1r8o s LYS 8 CO 0.00 0.66 0.99 -0.35 -0.76 0.00 0.00 175.35 175.89 1r8o n PRO 9 N 1.06 0.69 -2.97 -1.68 -0.04 -1.26 -0.46 135.00 130.34 1r8o n PRO 9 Ca -0.11 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 1r8o n PRO 9 Cb 0.53 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1r8o n PRO 9 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1r8o s ILE 10 N -1.67 5.00 0.30 0.52 1.01 -1.26 -4.72 121.20 120.39 1r8o s ILE 10 Ca 0.75 1.59 -0.29 0.00 0.00 0.00 0.00 60.65 62.71 1r8o s ILE 10 Cb -0.37 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 37.90 1r8o s ILE 10 CO 0.48 0.23 1.12 -1.61 0.00 0.00 0.00 174.94 175.16 1r8o s GLU 11 N 0.84 4.53 -0.25 2.79 2.02 -1.26 -0.93 118.70 126.45 1r8o s GLU 11 Ca 0.41 1.83 -0.22 0.00 0.02 0.00 0.00 54.97 57.00 1r8o s GLU 11 Cb -0.19 -3.09 -0.01 0.00 0.10 0.00 0.00 34.13 30.94 1r8o s GLU 11 CO 0.20 0.10 0.71 1.21 0.02 0.00 0.00 175.26 177.51 1r8o s ASN 12 N -0.91 6.69 -1.28 -0.19 2.47 0.67 -4.33 114.94 118.05 1r8o s ASN 12 Ca 0.47 0.85 -0.01 0.00 0.42 0.00 0.00 52.86 54.59 1r8o s ASN 12 Cb -0.32 -2.38 -0.00 0.00 -1.45 0.00 0.00 41.25 37.10 1r8o s ASN 12 CO 0.41 -0.42 0.76 -0.67 -3.72 0.00 0.00 177.10 173.45 1r8o n ASP 13 N 5.79 -1.49 0.00 -4.21 2.03 0.15 -4.83 116.55 113.98 1r8o n ASP 13 Ca 0.02 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.54 1r8o n ASP 13 Cb 0.48 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.63 1r8o n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r8o n GLY 14 N -1.49 3.60 3.52 0.27 0.00 -1.26 -5.05 105.19 104.77 1r8o n GLY 14 Ca -0.29 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 1r8o n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r8o n ALA 15 N -3.00 -1.14 -2.41 4.61 0.00 -1.26 -4.96 120.51 112.35 1r8o n ALA 15 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.88 1r8o n ALA 15 Cb 0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 1r8o n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r8o s GLU 16 N -3.07 3.72 0.05 0.00 2.02 -1.26 -4.67 118.70 115.49 1r8o s GLU 16 Ca 0.67 0.19 0.03 0.00 0.02 0.00 0.00 54.97 55.89 1r8o s GLU 16 Cb -0.33 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 1r8o s GLU 16 CO 0.56 0.19 -0.10 0.71 0.02 0.00 0.00 175.26 176.64 1r8o s TYR 17 N -2.06 0.84 -0.05 1.61 2.02 0.16 -4.90 117.35 114.96 1r8o s TYR 17 Ca 0.47 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 1r8o s TYR 17 Cb -0.11 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 40.92 1r8o s TYR 17 CO 0.27 -0.04 0.23 0.71 -1.57 0.00 0.00 175.55 175.15 1r8o s TYR 18 N -1.35 3.62 -0.33 2.71 2.02 -1.26 -0.10 117.35 122.65 1r8o s TYR 18 Ca -0.07 0.62 -0.10 0.00 -0.37 0.00 0.00 57.07 57.15 1r8o s TYR 18 Cb -0.10 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 1r8o s TYR 18 CO 0.01 0.68 0.17 0.42 -1.57 0.00 0.00 175.55 175.26 1r8o s ILE 19 N -1.13 4.56 0.11 2.71 1.01 -1.26 -5.04 121.20 122.16 1r8o s ILE 19 Ca 0.21 -0.60 0.10 0.00 0.00 0.00 0.00 60.65 60.36 1r8o s ILE 19 Cb -0.13 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1r8o s ILE 19 CO 0.10 -0.05 -0.26 -0.76 0.00 0.00 0.00 174.94 173.97 1r8o s LEU 20 N 1.58 2.28 0.29 2.97 1.43 -1.26 -1.85 118.68 124.12 1r8o s LEU 20 Ca 0.03 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1r8o s LEU 20 Cb -0.18 -1.19 -0.10 0.00 0.03 0.00 0.00 46.19 44.76 1r8o s LEU 20 CO 0.06 0.18 1.28 -2.16 0.23 0.00 0.00 176.35 175.94 1r8o s PRO 21 N -1.83 4.41 0.09 1.29 0.04 -1.26 -4.96 135.00 132.78 1r8o s PRO 21 Ca 0.12 2.11 -0.17 0.00 0.04 0.00 0.00 61.00 63.11 1r8o s PRO 21 Cb -0.10 -3.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.23 1r8o s PRO 21 CO 0.05 -0.14 1.44 0.77 0.04 0.00 0.00 177.00 179.16 1r8o h SER 22 N 4.01 0.60 -3.90 6.66 0.02 -1.99 -3.45 113.55 115.50 1r8o h SER 22 Ca -0.47 -0.42 -0.49 0.00 -0.84 0.00 0.00 61.79 59.56 1r8o h SER 22 Cb 1.22 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 63.61 1r8o h SER 22 CO 0.69 0.89 0.43 -0.69 -1.14 0.00 0.00 176.83 177.01 1r8o s VAL 23 N -4.54 3.67 0.49 2.27 1.01 -1.26 -5.06 120.40 116.98 1r8o s VAL 23 Ca -0.13 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.26 1r8o s VAL 23 Cb 0.08 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1r8o s VAL 23 CO 0.79 0.14 0.73 -0.13 0.00 0.00 0.00 175.10 176.63 1r8o s ARG 24 N -2.11 3.02 0.00 2.72 0.52 -1.26 -4.46 118.95 117.38 1r8o s ARG 24 Ca 0.53 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.37 1r8o s ARG 24 Cb -0.25 -2.48 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1r8o s ARG 24 CO 0.32 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1r8o n GLY 25 N -2.21 0.75 2.36 -3.53 0.00 -1.26 -4.91 105.19 96.38 1r8o n GLY 25 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1r8o n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r8o n LYS 26 N -2.48 1.34 0.00 1.61 5.02 -1.26 -5.09 118.16 117.29 1r8o n LYS 26 Ca 0.00 -3.57 0.00 0.00 -2.02 0.00 0.00 58.31 52.72 1r8o n LYS 26 Cb 0.00 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1r8o n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r8o n GLY 27 N 0.15 -2.02 0.00 0.72 0.00 -1.26 -5.02 105.19 97.75 1r8o n GLY 27 Ca 0.24 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1r8o n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r8o n GLY 28 N -2.06 2.25 3.77 -0.02 0.00 0.80 -4.50 105.19 105.43 1r8o n GLY 28 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1r8o n GLY 28 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r8o s GLY 29 N -0.75 1.60 0.29 -0.02 0.00 0.76 -3.80 107.32 105.41 1r8o s GLY 29 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 1r8o s GLY 29 CO 0.00 0.22 1.12 1.08 0.00 0.00 0.00 173.10 175.53 1r8o s LEU 30 N -6.01 4.54 0.00 0.66 1.43 -0.77 -0.49 118.68 118.04 1r8o s LEU 30 Ca 0.63 2.32 0.00 0.00 -1.03 0.00 0.00 54.13 56.04 1r8o s LEU 30 Cb -0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1r8o s LEU 30 CO 0.55 -0.19 0.00 0.55 0.23 0.00 0.00 176.35 177.49 1r8o n VAL 31 N 1.14 0.00 -4.23 -1.59 3.14 0.18 -0.72 118.33 116.25 1r8o n VAL 31 Ca -0.01 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.16 1r8o n VAL 31 Cb 0.44 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 33.10 1r8o n VAL 31 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1r8o s LEU 32 N 0.00 2.28 0.09 6.55 1.43 -1.26 -1.83 118.68 125.94 1r8o s LEU 32 Ca 0.00 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1r8o s LEU 32 Cb 0.00 -0.68 0.02 0.00 0.03 0.00 0.00 46.19 45.55 1r8o s LEU 32 CO 0.00 -0.01 0.29 0.00 0.23 0.00 0.00 176.35 176.85 1r8o s ALA 33 N -1.21 -0.57 -0.02 4.21 0.00 -0.12 -4.89 121.76 119.17 1r8o s ALA 33 Ca 0.02 -0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 1r8o s ALA 33 Cb -0.10 0.51 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 1r8o s ALA 33 CO 0.03 -0.53 1.00 0.15 0.00 0.00 0.00 175.76 176.42 1r8o s LYS 34 N -3.50 4.52 -0.01 0.00 1.02 -1.26 -1.62 119.74 118.89 1r8o s LYS 34 Ca 0.02 1.44 0.08 0.00 0.02 0.00 0.00 55.97 57.53 1r8o s LYS 34 Cb 0.02 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1r8o s LYS 34 CO -0.09 -0.12 -0.25 -1.12 -0.92 0.00 0.00 175.35 172.85 1r8o s SER 35 N 1.04 2.96 0.74 2.83 0.01 -1.26 -4.95 113.70 115.06 1r8o s SER 35 Ca 0.52 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.31 1r8o s SER 35 Cb -0.21 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.70 1r8o s SER 35 CO 0.26 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.82 1r8o n GLY 36 N 2.38 2.11 0.41 3.44 0.00 -1.26 -1.12 105.19 111.15 1r8o n GLY 36 Ca -0.16 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1r8o n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r8o n GLY 37 N 0.00 -0.09 3.75 -0.02 0.00 -1.26 -4.92 105.19 102.65 1r8o n GLY 37 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1r8o n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r8o s GLU 38 N -1.93 4.21 0.00 1.61 2.02 -0.28 -4.92 118.70 119.41 1r8o s GLU 38 Ca 0.37 2.41 0.14 0.00 0.02 0.00 0.00 54.97 57.91 1r8o s GLU 38 Cb 0.19 -3.06 0.26 0.00 0.10 0.00 0.00 34.13 31.62 1r8o s GLU 38 CO 0.31 -0.47 1.15 1.63 0.02 0.00 0.00 175.26 177.90 1r8o n LYS 39 N 1.92 1.96 -4.60 1.61 5.02 -1.26 -4.60 118.16 118.21 1r8o n LYS 39 Ca 0.06 -1.81 -0.22 0.00 -2.02 0.00 0.00 58.31 54.32 1r8o n LYS 39 Cb 0.39 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 33.93 1r8o n LYS 39 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r8o s PRO 41 N -0.22 2.94 -0.00 0.00 0.02 -1.26 -4.52 135.00 131.95 1r8o s PRO 41 Ca 0.03 -0.10 0.04 0.00 0.02 0.00 0.00 61.00 61.00 1r8o s PRO 41 Cb -0.06 -4.61 -0.04 0.00 0.02 0.00 0.00 34.50 29.81 1r8o s PRO 41 CO -0.00 -2.60 0.16 1.28 -0.33 0.00 0.00 177.00 175.51 1r8o n LEU 42 N 11.36 0.18 -4.74 -5.54 4.77 -1.02 -4.47 117.00 117.53 1r8o n LEU 42 Ca 0.21 -0.50 -0.37 0.00 -0.03 0.00 0.00 56.01 55.32 1r8o n LEU 42 Cb 0.50 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1r8o n LEU 42 CO 0.68 0.04 0.03 -0.44 -1.33 0.00 0.00 177.39 176.38 1r8o s SER 43 N -1.36 6.52 -0.04 -1.43 0.01 -0.64 -4.88 113.70 111.88 1r8o s SER 43 Ca 0.01 0.61 -0.30 0.00 1.31 0.00 0.00 55.95 57.59 1r8o s SER 43 Cb 0.03 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.02 1r8o s SER 43 CO 0.15 0.11 1.22 -0.69 0.41 0.00 0.00 173.24 174.44 1r8o s VAL 44 N 0.32 4.20 0.06 3.43 1.01 -1.26 -0.94 120.40 127.22 1r8o s VAL 44 Ca 0.19 1.53 -0.02 0.00 0.00 0.00 0.00 61.98 63.68 1r8o s VAL 44 Cb -0.14 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1r8o s VAL 44 CO 0.06 0.00 0.01 0.68 0.00 0.00 0.00 175.10 175.85 1r8o s VAL 45 N 2.17 0.20 0.37 2.92 -7.23 -0.76 -4.95 120.40 113.12 1r8o s VAL 45 Ca 0.57 -1.71 -0.24 0.00 -1.81 0.00 0.00 61.98 58.79 1r8o s VAL 45 Cb -0.25 -1.50 -0.10 0.00 0.56 0.00 0.00 36.38 35.08 1r8o s VAL 45 CO 0.23 -0.93 0.94 0.00 -0.31 0.00 0.00 175.10 175.03 1r8o s GLN 46 N -3.91 4.42 0.36 4.82 -2.07 -1.26 0.48 119.66 122.50 1r8o s GLN 46 Ca 0.07 1.23 -0.28 0.00 -1.82 0.00 0.00 55.36 54.55 1r8o s GLN 46 Cb 0.07 -2.53 -0.12 0.00 -1.09 0.00 0.00 33.01 29.35 1r8o s GLN 46 CO -0.10 0.15 1.40 0.45 -1.32 0.00 0.00 175.29 175.87 1r8o n SER 47 N 0.04 3.34 0.02 12.60 2.88 0.35 -4.73 113.62 128.13 1r8o n SER 47 Ca 0.04 1.22 0.08 0.00 -1.33 0.00 0.00 58.87 58.88 1r8o n SER 47 Cb 0.52 -1.56 0.50 0.00 -0.75 0.00 0.00 64.21 62.92 1r8o n SER 47 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1r8o h PRO 48 N 2.83 0.36 -5.68 -1.46 0.11 -1.93 0.23 132.00 126.46 1r8o h PRO 48 Ca -0.49 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.02 1r8o h PRO 48 Cb 1.26 -0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 1r8o h PRO 48 CO 0.64 0.24 -0.02 0.45 -0.21 0.00 0.00 178.00 179.10 1r8o s SER 49 N -6.58 6.68 0.64 -2.05 0.15 -1.26 -4.57 113.70 106.70 1r8o s SER 49 Ca -0.07 0.81 0.39 0.00 0.70 0.00 0.00 55.95 57.79 1r8o s SER 49 Cb 0.18 -2.32 2.23 0.00 -1.71 0.00 0.00 66.02 64.40 1r8o s SER 49 CO 0.73 -0.14 2.34 -0.33 1.20 0.00 0.00 173.24 177.03 1r8o h GLU 50 N 7.16 0.00 0.00 5.44 3.07 -1.80 -1.79 114.58 126.66 1r8o h GLU 50 Ca -0.36 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.42 1r8o h GLU 50 Cb 1.16 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1r8o h GLU 50 CO 0.75 0.00 -0.36 -0.07 -1.40 0.00 0.00 179.01 177.93 1r8o h LEU 51 N 0.00 0.00 -9.59 1.33 3.38 -1.92 -3.41 115.31 105.10 1r8o h LEU 51 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1r8o h LEU 51 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r8o h LEU 51 CO 0.00 0.36 0.40 -0.55 0.09 0.00 0.00 178.44 178.74 1r8o s SER 52 N -6.36 7.42 0.00 -0.43 0.15 -0.69 -4.93 113.70 108.86 1r8o s SER 52 Ca 0.03 1.88 0.27 0.00 0.70 0.00 0.00 55.95 58.84 1r8o s SER 52 Cb 0.08 -2.59 1.23 0.00 -1.71 0.00 0.00 66.02 63.03 1r8o s SER 52 CO 0.70 -0.13 1.90 0.59 1.20 0.00 0.00 173.24 177.50 1r8o n ASN 53 N 2.74 0.00 0.00 5.45 3.02 -1.26 -0.17 115.26 125.05 1r8o n ASN 53 Ca 0.03 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1r8o n ASN 53 Cb 0.48 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1r8o n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r8o n GLY 54 N 1.26 0.15 3.81 7.41 0.00 -1.26 -4.18 105.19 112.38 1r8o n GLY 54 Ca 0.08 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1r8o n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r8o s LEU 55 N 0.00 3.95 0.41 0.99 1.43 0.10 -4.95 118.68 120.62 1r8o s LEU 55 Ca 0.00 0.10 -0.24 0.00 -1.03 0.00 0.00 54.13 52.96 1r8o s LEU 55 Cb 0.00 -2.50 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 1r8o s LEU 55 CO 0.00 0.21 1.11 -2.16 0.23 0.00 0.00 176.35 175.74 1r8o s PRO 56 N -2.18 4.02 0.23 1.29 0.04 -1.26 -4.68 135.00 132.46 1r8o s PRO 56 Ca 0.28 1.68 0.09 0.00 0.04 0.00 0.00 61.00 63.09 1r8o s PRO 56 Cb -0.12 -2.55 -0.05 0.00 0.04 0.00 0.00 34.50 31.82 1r8o s PRO 56 CO 0.20 -0.30 -0.17 0.14 0.04 0.00 0.00 177.00 176.91 1r8o s VAL 57 N -1.55 2.02 -0.09 -0.36 -7.23 0.85 -1.54 120.40 112.50 1r8o s VAL 57 Ca 0.59 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1r8o s VAL 57 Cb -0.26 -2.12 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1r8o s VAL 57 CO 0.33 -0.50 -0.19 -0.60 -0.31 0.00 0.00 175.10 173.83 1r8o s ARG 58 N -3.51 2.96 0.10 4.82 3.52 0.34 -0.67 118.95 126.51 1r8o s ARG 58 Ca 0.25 -0.80 -0.20 0.00 -0.13 0.00 0.00 55.73 54.85 1r8o s ARG 58 Cb -0.03 -2.39 -0.07 0.00 -1.56 0.00 0.00 34.95 30.91 1r8o s ARG 58 CO 0.10 0.30 0.61 -0.06 -0.81 0.00 0.00 175.30 175.44 1r8o s PHE 59 N 0.07 3.81 -0.31 5.12 0.08 -1.26 -0.89 117.98 124.59 1r8o s PHE 59 Ca -0.08 1.33 -0.00 0.00 0.12 0.00 0.00 56.93 58.30 1r8o s PHE 59 Cb -0.15 -2.55 0.10 0.00 -0.57 0.00 0.00 43.02 39.85 1r8o s PHE 59 CO 0.05 0.55 0.09 0.15 -0.10 0.00 0.00 175.22 175.97 1r8o s LYS 60 N -1.22 0.77 -0.06 0.44 -0.14 -0.22 0.29 119.74 119.61 1r8o s LYS 60 Ca 0.32 -1.12 0.03 0.00 -1.36 0.00 0.00 55.97 53.84 1r8o s LYS 60 Cb -0.20 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.85 1r8o s LYS 60 CO 0.20 -0.98 -0.15 0.00 -0.76 0.00 0.00 175.35 173.67 1r8o s ALA 61 N 1.57 2.63 0.10 5.17 0.00 -1.26 -0.13 121.76 129.84 1r8o s ALA 61 Ca 0.10 -0.98 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1r8o s ALA 61 Cb -0.17 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1r8o s ALA 61 CO -0.24 0.52 1.42 0.77 0.00 0.00 0.00 175.76 178.23 1r8o h SER 62 N 5.51 0.75 -2.25 0.00 0.02 -2.00 -3.44 113.55 112.15 1r8o h SER 62 Ca -0.44 -0.48 -0.61 0.00 -0.84 0.00 0.00 61.79 59.42 1r8o h SER 62 Cb 1.16 -0.21 0.13 0.00 0.14 0.00 0.00 62.40 63.62 1r8o h SER 62 CO 0.51 1.08 -0.24 -2.65 -1.14 0.00 0.00 176.83 174.38 1r8o n PRO 63 N -4.26 0.75 -2.66 3.45 -0.02 -1.26 -4.83 135.00 126.17 1r8o n PRO 63 Ca -0.04 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.28 1r8o n PRO 63 Cb 0.48 -1.56 -0.01 0.00 -0.02 0.00 0.00 33.50 32.39 1r8o n PRO 63 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1r8o s ARG 64 N -1.53 3.86 0.09 -0.52 6.06 -1.26 -4.91 118.95 120.74 1r8o s ARG 64 Ca 0.62 -1.82 0.10 0.00 -2.50 0.00 0.00 55.73 52.13 1r8o s ARG 64 Cb -0.67 -5.36 -0.03 0.00 0.06 0.00 0.00 34.95 28.95 1r8o s ARG 64 CO 0.58 -2.13 -0.25 -1.54 -2.50 0.00 0.00 175.30 169.46 1r8o s SER 65 N 4.18 3.03 0.26 -2.12 1.04 -1.26 -5.04 113.70 113.79 1r8o s SER 65 Ca 0.48 -0.66 0.13 0.00 0.48 0.00 0.00 55.95 56.38 1r8o s SER 65 Cb 0.01 -0.22 0.21 0.00 0.10 0.00 0.00 66.02 66.11 1r8o s SER 65 CO 0.00 0.18 1.51 0.11 0.98 0.00 0.00 173.24 176.02 1r8o h LYS 66 N 4.31 0.00 -5.14 4.02 1.57 -1.91 -3.42 116.57 116.01 1r8o h LYS 66 Ca -0.48 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 57.86 1r8o h LYS 66 Cb 1.16 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.20 1r8o h LYS 66 CO 0.41 0.62 -0.79 0.71 -0.57 0.00 0.00 179.45 179.83 1r8o s TYR 67 N -3.18 1.11 0.63 -1.35 2.02 -1.26 -0.24 117.35 115.08 1r8o s TYR 67 Ca 0.01 -0.27 -0.09 0.00 -0.37 0.00 0.00 57.07 56.35 1r8o s TYR 67 Cb 0.10 -0.69 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1r8o s TYR 67 CO 0.75 -0.00 0.99 0.96 -1.57 0.00 0.00 175.55 176.68 1r8o s ILE 68 N -0.53 4.01 0.25 2.71 -4.36 -0.10 -4.75 121.20 118.43 1r8o s ILE 68 Ca 0.03 0.42 0.01 0.00 -0.26 0.00 0.00 60.65 60.85 1r8o s ILE 68 Cb -0.06 -3.62 -0.05 0.00 1.25 0.00 0.00 42.46 39.98 1r8o s ILE 68 CO 0.00 -0.74 0.09 -0.94 0.24 0.00 0.00 174.94 173.59 1r8o s SER 69 N -4.27 1.15 0.65 4.36 1.04 -1.26 -4.59 113.70 110.78 1r8o s SER 69 Ca 0.55 -1.37 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 1r8o s SER 69 Cb -0.11 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 1r8o s SER 69 CO 0.50 -0.72 1.19 0.68 0.98 0.00 0.00 173.24 175.87 1r8o s VAL 70 N -3.76 2.61 0.00 5.02 -7.23 -1.26 -3.28 120.40 112.50 1r8o s VAL 70 Ca 0.37 0.34 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 1r8o s VAL 70 Cb 0.08 -3.01 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1r8o s VAL 70 CO 0.13 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1r8o n GLY 71 N 0.32 0.42 3.66 2.32 0.00 -1.26 -5.00 105.19 105.66 1r8o n GLY 71 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1r8o n GLY 71 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1r8o s MET 72 N -0.54 4.05 0.30 1.61 0.00 -1.20 -5.06 119.30 118.46 1r8o s MET 72 Ca 0.00 -0.29 -0.29 0.00 0.00 0.00 0.00 55.69 55.11 1r8o s MET 72 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 34.83 31.29 1r8o s MET 72 CO 0.00 0.14 1.34 -0.51 0.00 0.00 0.00 175.02 175.98 1r8o s LEU 73 N 0.82 4.42 0.18 4.11 1.43 -1.26 -4.94 118.68 123.43 1r8o s LEU 73 Ca 0.07 2.66 -0.15 0.00 -1.03 0.00 0.00 54.13 55.68 1r8o s LEU 73 Cb -0.13 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.47 1r8o s LEU 73 CO 0.02 -0.57 0.45 -1.48 0.23 0.00 0.00 176.35 175.00 1r8o s LEU 74 N -1.35 0.35 0.34 1.79 0.05 -1.26 -4.43 118.68 114.16 1r8o s LEU 74 Ca 0.52 -0.56 0.04 0.00 0.05 0.00 0.00 54.13 54.18 1r8o s LEU 74 Cb -0.40 1.86 -0.02 0.00 -2.05 0.00 0.00 46.19 45.59 1r8o s LEU 74 CO 0.50 -0.99 0.49 -0.83 -0.55 0.00 0.00 176.35 174.97 1r8o s GLY 75 N -2.89 1.47 -0.16 -3.48 0.00 0.82 -4.93 107.32 98.14 1r8o s GLY 75 Ca 0.10 -1.27 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1r8o s GLY 75 CO -0.03 -1.19 -0.07 -0.42 0.00 0.00 0.00 173.10 171.39 1r8o s ILE 76 N -2.22 1.18 -0.20 0.90 1.01 -1.26 -1.05 121.20 119.56 1r8o s ILE 76 Ca 0.42 -0.60 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1r8o s ILE 76 Cb -0.09 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 1r8o s ILE 76 CO 0.32 0.20 0.07 -0.70 0.00 0.00 0.00 174.94 174.84 1r8o s GLU 77 N 1.61 3.90 -0.49 2.79 2.12 -0.07 -1.19 118.70 127.38 1r8o s GLU 77 Ca 0.02 -0.37 -0.25 0.00 0.36 0.00 0.00 54.97 54.72 1r8o s GLU 77 Cb -0.15 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.01 1r8o s GLU 77 CO -0.08 0.15 0.95 0.08 -0.54 0.00 0.00 175.26 175.81 1r8o s VAL 78 N 0.72 4.43 0.29 3.70 1.01 0.57 -0.51 120.40 130.61 1r8o s VAL 78 Ca 0.04 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.76 1r8o s VAL 78 Cb -0.13 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.79 1r8o s VAL 78 CO 0.02 -0.92 1.67 0.40 0.00 0.00 0.00 175.10 176.27 1r8o h ILE 79 N 6.08 1.35 -3.19 2.22 1.08 -1.58 -3.39 117.51 120.08 1r8o h ILE 79 Ca -0.24 -1.73 -0.67 0.00 -0.39 0.00 0.00 64.86 61.83 1r8o h ILE 79 Cb 1.07 1.87 -0.32 0.00 -3.07 0.00 0.00 36.82 36.37 1r8o h ILE 79 CO 1.05 0.50 -0.81 -1.61 -0.69 0.00 0.00 178.15 176.59 1r8o s GLU 80 N -3.93 3.13 0.12 2.37 2.02 -1.26 -5.05 118.70 116.10 1r8o s GLU 80 Ca -0.03 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1r8o s GLU 80 Cb 0.13 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.67 1r8o s GLU 80 CO 0.77 -0.17 0.28 -1.54 0.02 0.00 0.00 175.26 174.62 1r8o s SER 81 N 1.27 -0.00 0.45 -0.19 1.04 -1.26 -4.81 113.70 110.20 1r8o s SER 81 Ca 0.04 -0.62 -0.24 0.00 0.48 0.00 0.00 55.95 55.60 1r8o s SER 81 Cb -0.14 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 1r8o s SER 81 CO -0.08 -0.82 1.20 -2.65 0.98 0.00 0.00 173.24 171.87 1r8o n PRO 82 N -0.16 1.70 -0.16 4.02 -0.02 -1.26 -4.85 135.00 134.27 1r8o n PRO 82 Ca -0.13 0.61 0.20 0.00 -2.02 0.00 0.00 63.50 62.16 1r8o n PRO 82 Cb 0.63 -2.31 0.58 0.00 -0.02 0.00 0.00 33.50 32.38 1r8o n PRO 82 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1r8o h GLU 83 N 1.78 0.25 0.00 -0.52 4.22 -2.00 -1.10 114.58 117.21 1r8o h GLU 83 Ca -0.47 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1r8o h GLU 83 Cb 1.31 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1r8o h GLU 83 CO 0.58 0.17 0.00 0.00 -2.18 0.00 0.00 179.01 177.58 1r8o s ALA 85 N -3.12 3.00 0.50 0.00 0.00 -0.42 -5.01 121.76 116.72 1r8o s ALA 85 Ca 0.09 0.18 -0.23 0.00 0.00 0.00 0.00 51.96 52.00 1r8o s ALA 85 Cb 0.13 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 1r8o s ALA 85 CO 0.49 -0.44 1.27 -2.14 0.00 0.00 0.00 175.76 174.95 1r8o s PRO 86 N -4.27 3.47 -0.03 0.00 0.02 -1.26 -4.95 135.00 127.98 1r8o s PRO 86 Ca 0.59 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.68 1r8o s PRO 86 Cb -0.11 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 32.05 1r8o s PRO 86 CO 0.36 -0.86 -0.12 0.15 -0.33 0.00 0.00 177.00 176.20 1r8o s LYS 87 N -2.77 1.28 0.53 5.54 3.01 -1.26 -3.04 119.74 123.02 1r8o s LYS 87 Ca 0.67 -0.44 -0.21 0.00 -1.01 0.00 0.00 55.97 54.98 1r8o s LYS 87 Cb -0.35 -1.16 -0.05 0.00 -1.01 0.00 0.00 37.83 35.26 1r8o s LYS 87 CO 0.42 0.18 1.22 -1.25 0.51 0.00 0.00 175.35 176.44 1r8o s PRO 88 N 0.08 3.34 -0.54 -1.68 0.04 -1.26 -5.09 135.00 129.89 1r8o s PRO 88 Ca -0.02 1.89 -0.22 0.00 0.04 0.00 0.00 61.00 62.68 1r8o s PRO 88 Cb -0.09 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.30 1r8o s PRO 88 CO 0.01 -0.93 0.84 -1.12 0.04 0.00 0.00 177.00 175.83 1r8o s SER 89 N -1.36 6.30 -0.11 6.66 0.01 -1.17 -5.01 113.70 119.01 1r8o s SER 89 Ca 0.70 -0.55 -0.02 0.00 1.31 0.00 0.00 55.95 57.39 1r8o s SER 89 Cb -0.32 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1r8o s SER 89 CO 0.37 -1.12 -0.05 -0.04 0.41 0.00 0.00 173.24 172.81 1r8o s MET 90 N 3.50 3.22 0.48 12.44 -1.94 -1.26 -0.32 119.30 135.43 1r8o s MET 90 Ca 0.25 -0.52 -0.24 0.00 -1.71 0.00 0.00 55.69 53.47 1r8o s MET 90 Cb -0.15 -2.77 -0.07 0.00 2.01 0.00 0.00 34.83 33.85 1r8o s MET 90 CO 0.17 0.47 1.41 0.91 -0.01 0.00 0.00 175.02 177.97 1r8o n TRP 91 N 2.83 2.58 -3.95 -0.03 7.02 -0.33 -5.00 117.44 120.55 1r8o n TRP 91 Ca -0.18 0.44 -0.10 0.00 -1.02 0.00 0.00 57.50 56.63 1r8o n TRP 91 Cb 0.53 -2.43 -0.02 0.00 -2.42 0.00 0.00 31.31 26.97 1r8o n TRP 91 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1r8o s SER 92 N -0.62 0.23 -0.12 -0.99 1.04 -1.26 -4.74 113.70 107.25 1r8o s SER 92 Ca 0.65 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 1r8o s SER 92 Cb -0.44 0.71 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 1r8o s SER 92 CO 0.55 -1.38 -0.01 -0.69 0.98 0.00 0.00 173.24 172.68 1r8o s VAL 93 N -3.18 4.20 0.09 5.02 1.01 -1.26 -5.08 120.40 121.20 1r8o s VAL 93 Ca 0.21 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1r8o s VAL 93 Cb -0.03 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1r8o s VAL 93 CO 0.13 0.55 -0.17 -1.59 0.00 0.00 0.00 175.10 174.03 1r8o s LYS 94 N -0.35 0.96 0.51 2.72 -2.85 -1.26 -5.14 119.74 114.32 1r8o s LYS 94 Ca 0.07 -1.06 -0.21 0.00 -1.00 0.00 0.00 55.97 53.77 1r8o s LYS 94 Cb -0.12 -1.06 -0.07 0.00 -2.06 0.00 0.00 37.83 34.52 1r8o s LYS 94 CO 0.02 0.24 1.13 -1.12 0.10 0.00 0.00 175.35 175.72 1r8o s SER 95 N -1.86 5.93 0.00 0.03 0.01 -1.26 -5.26 113.70 111.29 1r8o s SER 95 Ca 0.02 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.47 1r8o s SER 95 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1r8o s SER 95 CO 0.03 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.22