#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ava s LYS 2 N 0.00 2.59 0.23 0.00 1.02 -1.26 -4.78 119.74 117.54 2ava s LYS 2 Ca 0.00 1.76 -0.07 0.00 0.02 0.00 0.00 55.97 57.68 2ava s LYS 2 Cb 0.00 -1.89 0.31 0.00 -0.52 0.00 0.00 37.83 35.73 2ava s LYS 2 CO 0.00 -1.49 1.82 0.87 -0.92 0.00 0.00 175.35 175.63 2ava h LYS 3 N 0.28 0.75 -1.00 1.68 1.57 -2.02 -0.77 116.57 117.06 2ava h LYS 3 Ca -0.49 -0.04 0.19 0.00 -1.87 0.00 0.00 60.65 58.44 2ava h LYS 3 Cb 1.29 -0.17 -0.11 0.00 0.08 0.00 0.00 32.23 33.33 2ava h LYS 3 CO 0.53 0.49 0.61 1.05 -0.57 0.00 0.00 179.45 181.56 2ava h GLU 4 N 0.77 0.73 0.07 3.15 4.11 -2.00 0.54 114.58 121.94 2ava h GLU 4 Ca 0.34 -0.04 -0.19 0.00 0.07 0.00 0.00 59.36 59.54 2ava h GLU 4 Cb 0.24 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ava h GLU 4 CO -0.20 0.48 -0.80 1.15 0.07 0.00 0.00 179.01 179.71 2ava h THR 5 N 0.75 1.43 -0.41 -1.06 2.02 -1.63 -3.01 112.91 110.99 2ava h THR 5 Ca 0.58 -2.30 0.06 0.00 0.77 0.00 0.00 66.41 65.52 2ava h THR 5 Cb 0.92 2.81 -0.05 0.00 -1.74 0.00 0.00 68.15 70.08 2ava h THR 5 CO -0.37 0.67 0.11 0.40 0.37 0.00 0.00 175.52 176.70 2ava h ILE 6 N -0.11 0.82 -0.81 3.11 2.04 -0.15 0.05 117.51 122.46 2ava h ILE 6 Ca -0.12 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2ava h ILE 6 Cb 1.54 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 2ava h ILE 6 CO 0.15 0.05 0.43 0.44 0.00 0.00 0.00 178.15 179.22 2ava h ASP 7 N 0.26 1.03 0.62 1.72 5.19 -1.04 -1.79 116.42 122.40 2ava h ASP 7 Ca 0.20 -0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2ava h ASP 7 Cb 0.22 -0.26 0.01 0.00 0.18 0.00 0.00 39.33 39.47 2ava h ASP 7 CO -0.23 0.84 -0.30 0.11 -3.12 0.00 0.00 179.24 176.54 2ava h LYS 8 N 1.13 -0.80 -0.46 3.56 1.79 -1.21 -2.01 116.57 118.57 2ava h LYS 8 Ca 0.28 0.05 0.09 0.00 -2.18 0.00 0.00 60.65 58.90 2ava h LYS 8 Cb 0.05 0.18 -0.08 0.00 -1.58 0.00 0.00 32.23 30.80 2ava h LYS 8 CO -0.04 -0.50 -0.06 0.28 -1.08 0.00 0.00 179.45 178.05 2ava h VAL 9 N -0.94 0.58 -0.70 0.50 2.07 -0.94 0.38 116.25 117.20 2ava h VAL 9 Ca -0.08 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.51 2ava h VAL 9 Cb 0.67 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2ava h VAL 9 CO 0.14 0.01 0.46 0.28 0.02 0.00 0.00 177.57 178.48 2ava h SER 10 N 0.05 0.54 -0.41 0.57 0.02 -1.28 -1.65 113.55 111.38 2ava h SER 10 Ca 0.23 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2ava h SER 10 Cb 0.35 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2ava h SER 10 CO -0.44 0.33 0.20 -0.78 -1.14 0.00 0.00 176.83 175.00 2ava h ASP 11 N 0.60 0.54 -0.67 3.07 1.82 -0.16 -2.81 116.42 118.82 2ava h ASP 11 Ca 0.32 -0.13 0.12 0.00 -0.39 0.00 0.00 57.03 56.95 2ava h ASP 11 Cb 0.46 -0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.24 2ava h ASP 11 CO -0.11 0.52 0.23 0.40 -1.61 0.00 0.00 179.24 178.67 2ava h ILE 12 N 0.53 0.69 0.00 2.25 5.03 -0.81 0.19 117.51 125.39 2ava h ILE 12 Ca 0.14 -0.13 -0.03 0.00 -0.12 0.00 0.00 64.86 64.72 2ava h ILE 12 Cb 0.12 0.27 -0.00 0.00 -3.03 0.00 0.00 36.82 34.18 2ava h ILE 12 CO -0.02 0.07 -0.12 0.58 -0.68 0.00 0.00 178.15 177.98 2ava h VAL 13 N 0.39 1.00 0.08 1.67 2.07 -1.40 -2.27 116.25 117.79 2ava h VAL 13 Ca 0.35 -0.42 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 2ava h VAL 13 Cb 0.50 1.23 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2ava h VAL 13 CO -0.37 0.12 -1.13 0.11 0.02 0.00 0.00 177.57 176.32 2ava h LYS 14 N 0.00 0.33 0.00 1.57 1.57 -0.49 -3.17 116.57 116.38 2ava h LYS 14 Ca -0.00 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2ava h LYS 14 Cb 0.22 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2ava h LYS 14 CO 0.02 1.18 0.00 0.93 -0.57 0.00 0.00 179.45 181.01 2ava h GLU 15 N 0.14 0.00 0.05 3.15 4.39 -0.36 0.46 114.58 122.40 2ava h GLU 15 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2ava h GLU 15 Cb 1.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 2ava h GLU 15 CO 0.19 0.00 -0.02 0.87 -1.16 0.00 0.00 179.01 178.89 2ava h LYS 16 N 0.00 -0.06 -0.27 2.33 1.79 -1.51 -3.29 116.57 115.57 2ava h LYS 16 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 2ava h LYS 16 Cb 0.07 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.69 2ava h LYS 16 CO 0.00 0.33 -0.04 1.47 -1.08 0.00 0.00 179.45 180.13 2ava n LEU 17 N -4.93 3.83 -3.11 2.94 -0.00 -0.96 -4.97 117.00 109.81 2ava n LEU 17 Ca -0.08 -3.37 -0.18 0.00 -0.00 0.00 0.00 56.01 52.37 2ava n LEU 17 Cb 0.22 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 43.08 2ava n LEU 17 CO 0.33 0.95 -0.18 0.00 -0.00 0.00 0.00 177.39 178.48 2ava n ALA 18 N -0.89 -2.71 -3.92 1.47 0.00 0.14 -5.04 120.51 109.56 2ava n ALA 18 Ca 0.26 0.69 -0.12 0.00 0.00 0.00 0.00 53.44 54.27 2ava n ALA 18 Cb 0.93 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.73 2ava n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ava n LEU 19 N 0.00 0.00 0.00 0.00 4.32 0.19 -4.88 117.00 116.64 2ava n LEU 19 Ca 0.02 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.68 2ava n LEU 19 Cb 0.50 0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 2ava n LEU 19 CO 0.46 -0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.04 2ava n GLY 20 N 1.09 0.37 0.00 -0.72 0.00 -1.26 -4.72 105.19 99.94 2ava n GLY 20 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2ava n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava n ALA 21 N -1.87 0.00 -1.77 4.61 0.00 -1.26 -4.66 120.51 115.57 2ava n ALA 21 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2ava n ALA 21 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.55 2ava n ALA 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 22 N -1.43 3.99 -4.29 0.00 -0.08 -1.26 -5.02 116.55 108.46 2ava n ASP 22 Ca 0.00 -3.80 -0.21 0.00 -1.51 0.00 0.00 54.79 49.27 2ava n ASP 22 Cb 0.00 -0.49 -0.11 0.00 2.34 0.00 0.00 41.12 42.85 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ava s VAL 23 N -4.07 1.65 0.25 5.18 1.01 -1.26 -5.14 120.40 118.02 2ava s VAL 23 Ca 0.48 -1.77 -0.26 0.00 0.00 0.00 0.00 61.98 60.43 2ava s VAL 23 Cb 0.41 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 2ava s VAL 23 CO 0.00 -0.28 0.87 0.54 0.00 0.00 0.00 175.10 176.23 2ava s VAL 24 N -1.85 4.26 -0.22 2.92 0.11 -1.26 -4.66 120.40 119.70 2ava s VAL 24 Ca 0.11 1.79 -0.01 0.00 -2.93 0.00 0.00 61.98 60.94 2ava s VAL 24 Cb -0.07 -4.10 0.02 0.00 -1.53 0.00 0.00 36.38 30.70 2ava s VAL 24 CO 0.05 0.34 -0.10 0.54 -3.33 0.00 0.00 175.10 172.60 2ava s VAL 25 N -1.37 2.68 0.03 2.04 0.11 -1.26 -5.00 120.40 117.63 2ava s VAL 25 Ca 0.43 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.61 2ava s VAL 25 Cb -0.21 -2.28 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2ava s VAL 25 CO 0.26 0.33 -0.20 0.42 -3.33 0.00 0.00 175.10 172.58 2ava s THR 26 N 1.33 1.57 -1.33 5.04 -4.23 -1.26 -5.02 115.64 111.74 2ava s THR 26 Ca 0.02 -1.09 0.29 0.00 -1.18 0.00 0.00 61.69 59.73 2ava s THR 26 Cb -0.15 -1.36 0.41 0.00 1.34 0.00 0.00 72.50 72.74 2ava s THR 26 CO -0.07 0.23 1.96 0.00 -0.54 0.00 0.00 174.62 176.20 2ava n ALA 27 N 2.02 2.55 -1.03 3.99 0.00 -1.26 -3.17 120.51 123.61 2ava n ALA 27 Ca -0.17 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.19 2ava n ALA 27 Cb 0.53 -1.44 0.23 0.00 0.00 0.00 0.00 19.45 18.77 2ava n ALA 27 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ava n ASP 28 N -1.30 3.43 -0.46 0.00 -0.08 -1.26 -0.30 116.55 116.59 2ava n ASP 28 Ca 0.12 -3.06 0.03 0.00 -1.51 0.00 0.00 54.79 50.36 2ava n ASP 28 Cb 0.28 -0.52 0.08 0.00 2.34 0.00 0.00 41.12 43.30 2ava n ASP 28 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2ava n SER 29 N -0.78 1.27 -2.43 1.67 3.41 -1.19 -4.86 113.62 110.70 2ava n SER 29 Ca 0.20 -2.06 -0.10 0.00 -0.26 0.00 0.00 58.87 56.66 2ava n SER 29 Cb 0.83 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 2ava n SER 29 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ava n GLU 30 N 0.05 -2.37 -4.10 4.33 1.02 -1.26 -1.55 120.64 116.76 2ava n GLU 30 Ca 0.06 0.47 -0.34 0.00 -0.02 0.00 0.00 57.16 57.33 2ava n GLU 30 Cb 0.24 -5.04 -0.07 0.00 -0.02 0.00 0.00 31.44 26.54 2ava n GLU 30 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2ava n PHE 31 N -3.17 -1.02 -0.29 -0.32 -1.74 -1.26 -4.73 117.46 104.93 2ava n PHE 31 Ca -0.11 0.57 0.17 0.00 -0.56 0.00 0.00 57.45 57.51 2ava n PHE 31 Cb 0.58 -1.81 0.43 0.00 1.52 0.00 0.00 39.48 40.21 2ava n PHE 31 CO 0.00 0.00 0.00 0.77 -0.56 0.00 0.00 176.76 176.97 2ava h SER 32 N -0.92 0.57 -1.01 5.98 0.02 -1.71 -3.40 113.55 113.08 2ava h SER 32 Ca -0.53 0.06 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2ava h SER 32 Cb 1.19 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 2ava h SER 32 CO 0.73 0.22 1.49 0.29 -1.14 0.00 0.00 176.83 178.42 2ava n LYS 33 N -4.60 0.92 -4.17 3.45 4.01 -1.26 -4.88 118.16 111.62 2ava n LYS 33 Ca 0.21 0.21 -0.16 0.00 -0.51 0.00 0.00 58.31 58.05 2ava n LYS 33 Cb 0.65 -2.47 -0.06 0.00 -0.51 0.00 0.00 35.03 32.63 2ava n LYS 33 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2ava s LEU 34 N 8.22 1.29 0.00 -0.35 1.43 -1.26 -4.87 118.68 123.14 2ava s LEU 34 Ca 1.11 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2ava s LEU 34 Cb -0.82 1.02 0.00 0.00 0.03 0.00 0.00 46.19 46.43 2ava s LEU 34 CO 0.46 -1.16 0.00 0.61 0.23 0.00 0.00 176.35 176.49 2ava n GLY 35 N -0.56 -0.20 0.48 -3.19 0.00 -1.26 -4.87 105.19 95.59 2ava n GLY 35 Ca 0.04 -1.63 0.07 0.00 0.00 0.00 0.00 46.02 44.49 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava n ALA 36 N -3.00 3.26 -2.30 4.61 0.00 -1.26 -5.04 120.51 116.78 2ava n ALA 36 Ca 0.00 -3.06 -0.23 0.00 0.00 0.00 0.00 53.44 50.15 2ava n ALA 36 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 2ava n ALA 36 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2ava s ASP 37 N -3.04 4.81 0.00 0.00 1.47 -1.26 -5.08 116.67 113.57 2ava s ASP 37 Ca 0.37 -1.02 -0.03 0.00 1.18 0.00 0.00 52.55 53.05 2ava s ASP 37 Cb 0.34 -0.00 -0.02 0.00 -0.34 0.00 0.00 42.92 42.90 2ava s ASP 37 CO -0.03 -0.93 0.69 0.77 0.68 0.00 0.00 175.17 176.34 2ava h SER 38 N 0.83 -0.09 -3.52 2.11 4.64 -2.06 -3.41 113.55 112.05 2ava h SER 38 Ca -0.38 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 2ava h SER 38 Cb 1.28 0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 63.29 2ava h SER 38 CO 0.56 -0.04 0.45 -0.76 -0.87 0.00 0.00 176.83 176.17 2ava s LEU 39 N -4.64 4.09 -0.07 5.97 1.43 -1.26 -4.85 118.68 119.35 2ava s LEU 39 Ca -0.01 0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 2ava s LEU 39 Cb 0.00 -3.10 -0.07 0.00 0.03 0.00 0.00 46.19 43.05 2ava s LEU 39 CO 0.04 -0.78 -0.01 0.47 0.23 0.00 0.00 176.35 176.30 2ava n ASP 40 N 6.56 3.33 -0.24 2.29 9.92 -1.26 -4.60 116.55 132.55 2ava n ASP 40 Ca 0.04 -0.02 0.20 0.00 -0.53 0.00 0.00 54.79 54.49 2ava n ASP 40 Cb 0.48 0.39 0.53 0.00 -0.64 0.00 0.00 41.12 41.89 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2ava h THR 41 N 0.00 0.67 -0.43 -3.53 2.02 -1.95 0.13 112.91 109.82 2ava h THR 41 Ca -0.19 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 2ava h THR 41 Cb 1.38 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2ava h THR 41 CO -0.00 0.07 -0.21 0.58 0.37 0.00 0.00 175.52 176.33 2ava h VAL 42 N 0.37 1.27 0.00 3.16 2.07 -1.92 0.14 116.25 121.33 2ava h VAL 42 Ca 0.47 -1.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2ava h VAL 42 Cb 1.21 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2ava h VAL 42 CO -0.16 0.45 -0.28 -0.33 0.02 0.00 0.00 177.57 177.27 2ava h GLU 43 N 0.75 0.00 0.00 1.57 4.39 -1.03 -2.70 114.58 117.57 2ava h GLU 43 Ca 0.10 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 2ava h GLU 43 Cb 0.74 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2ava h GLU 43 CO 0.06 0.28 -0.71 0.82 -1.16 0.00 0.00 179.01 178.29 2ava h ILE 44 N 0.00 1.09 -0.81 3.13 1.08 -0.99 -3.22 117.51 117.79 2ava h ILE 44 Ca -0.00 -2.08 0.16 0.00 -0.39 0.00 0.00 64.86 62.55 2ava h ILE 44 Cb 0.79 2.32 -0.06 0.00 -3.07 0.00 0.00 36.82 36.80 2ava h ILE 44 CO 0.04 0.37 0.54 1.62 -0.69 0.00 0.00 178.15 180.02 2ava h VAL 45 N -1.00 0.78 -0.28 1.67 3.04 -0.79 -0.56 116.25 119.11 2ava h VAL 45 Ca -0.19 -0.16 -0.11 0.00 -1.01 0.00 0.00 66.70 65.24 2ava h VAL 45 Cb 1.07 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2ava h VAL 45 CO -0.11 0.08 -0.23 -0.03 -1.01 0.00 0.00 177.57 176.27 2ava h MET 46 N 0.46 0.66 -0.16 4.17 -1.53 -1.63 0.29 114.93 117.18 2ava h MET 46 Ca 0.40 -0.33 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2ava h MET 46 Cb 0.89 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.94 2ava h MET 46 CO -0.14 0.93 0.07 -0.91 0.14 0.00 0.00 176.91 177.00 2ava h ASN 47 N 0.39 0.22 -0.21 1.39 4.21 -1.17 0.25 115.58 120.67 2ava h ASN 47 Ca 0.05 -0.14 -0.04 0.00 1.21 0.00 0.00 56.30 57.38 2ava h ASN 47 Cb 0.79 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 2ava h ASN 47 CO 0.06 0.30 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.42 2ava h LEU 48 N 0.13 0.38 -1.54 1.61 3.38 -1.22 -0.06 115.31 117.99 2ava h LEU 48 Ca 0.06 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2ava h LEU 48 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2ava h LEU 48 CO -0.01 0.61 -0.23 -0.08 0.09 0.00 0.00 178.44 178.82 2ava h GLU 49 N 0.13 0.01 0.18 1.13 4.81 -0.87 -1.66 114.58 118.31 2ava h GLU 49 Ca 0.06 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2ava h GLU 49 Cb 0.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2ava h GLU 49 CO 0.01 0.23 -0.09 1.49 -0.73 0.00 0.00 179.01 179.93 2ava h GLU 50 N 0.01 -0.23 0.14 1.92 4.81 -0.28 -0.50 114.58 120.44 2ava h GLU 50 Ca -0.00 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2ava h GLU 50 Cb 0.41 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2ava h GLU 50 CO 0.03 -0.15 -0.48 1.49 -0.73 0.00 0.00 179.01 179.16 2ava h GLU 51 N -0.94 -0.68 0.00 1.92 4.57 -1.02 0.24 114.58 118.66 2ava h GLU 51 Ca -0.02 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2ava h GLU 51 Cb 0.18 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2ava h GLU 51 CO 0.04 -0.46 0.00 0.74 -1.18 0.00 0.00 179.01 178.15 2ava h PHE 52 N -0.71 0.00 -5.54 0.92 0.04 -1.48 -3.46 116.94 106.72 2ava h PHE 52 Ca -0.01 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.40 2ava h PHE 52 Cb 0.70 0.00 0.14 0.00 2.20 0.00 0.00 35.95 39.00 2ava h PHE 52 CO -0.43 0.00 -0.67 0.41 -0.60 0.00 0.00 178.31 177.02 2ava n GLY 53 N -0.66 -0.42 2.17 -1.45 0.00 0.07 -4.94 105.19 99.96 2ava n GLY 53 Ca -0.01 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2ava n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ava n ILE 54 N -4.56 0.00 -3.89 -0.61 -5.35 -0.30 -4.99 119.36 99.66 2ava n ILE 54 Ca -0.09 -1.16 -0.29 0.00 -0.27 0.00 0.00 62.75 60.94 2ava n ILE 54 Cb 0.59 -0.46 -0.13 0.00 -1.74 0.00 0.00 39.64 37.91 2ava n ILE 54 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2ava s ASN 55 N -2.91 4.42 0.14 7.28 6.03 -1.26 -4.78 114.94 123.86 2ava s ASN 55 Ca 0.25 -3.40 -0.03 0.00 -1.03 0.00 0.00 52.86 48.65 2ava s ASN 55 Cb -0.02 -1.56 -0.05 0.00 -3.03 0.00 0.00 41.25 36.59 2ava s ASN 55 CO 0.16 -0.16 0.35 -0.69 -2.03 0.00 0.00 177.10 174.73 2ava s VAL 56 N -0.80 5.21 0.23 3.54 1.01 -1.26 -5.01 120.40 123.33 2ava s VAL 56 Ca 0.21 -0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.18 2ava s VAL 56 Cb -0.15 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ava s VAL 56 CO -0.09 0.01 -0.13 -0.62 0.00 0.00 0.00 175.10 174.28 2ava s ASP 57 N -2.60 4.00 0.57 3.32 2.15 -1.26 -5.00 116.67 117.84 2ava s ASP 57 Ca 0.39 -0.78 0.26 0.00 0.43 0.00 0.00 52.55 52.85 2ava s ASP 57 Cb -0.12 -0.55 1.57 0.00 -0.30 0.00 0.00 42.92 43.52 2ava s ASP 57 CO 0.26 0.06 2.13 -0.33 -0.17 0.00 0.00 175.17 177.12 2ava h GLU 58 N 2.50 0.00 0.00 4.34 5.08 -1.99 0.34 114.58 124.85 2ava h GLU 58 Ca -0.44 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.84 2ava h GLU 58 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2ava h GLU 58 CO 0.56 0.00 -0.37 -0.44 -1.00 0.00 0.00 179.01 177.76 2ava h ASP 59 N 0.00 0.00 -0.02 1.42 5.19 -2.00 -2.63 116.42 118.38 2ava h ASP 59 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 2ava h ASP 59 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2ava h ASP 59 CO -0.00 0.37 -0.09 1.17 -3.12 0.00 0.00 179.24 177.57 2ava n LYS 60 N -3.22 1.74 -0.09 3.56 3.00 0.42 -4.26 118.16 119.31 2ava n LYS 60 Ca 0.02 -1.53 0.06 0.00 -0.00 0.00 0.00 58.31 56.86 2ava n LYS 60 Cb 0.66 -1.38 0.08 0.00 0.00 0.00 0.00 35.03 34.39 2ava n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ava n ALA 61 N 0.87 2.10 -0.07 3.14 0.00 0.90 -4.64 120.51 122.81 2ava n ALA 61 Ca 0.11 -1.90 -0.10 0.00 0.00 0.00 0.00 53.44 51.54 2ava n ALA 61 Cb 0.48 -0.27 -0.07 0.00 0.00 0.00 0.00 19.45 19.60 2ava n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ava n GLN 62 N -0.95 0.36 -1.30 0.00 10.64 -0.99 -4.60 117.38 120.53 2ava n GLN 62 Ca 0.09 0.09 -0.27 0.00 -1.83 0.00 0.00 57.00 55.08 2ava n GLN 62 Cb 0.53 -1.28 0.12 0.00 -0.86 0.00 0.00 30.24 28.75 2ava n GLN 62 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ava n ASP 63 N -2.95 5.54 -4.80 2.61 8.00 -1.26 -4.98 116.55 118.70 2ava n ASP 63 Ca -0.26 -3.73 -0.39 0.00 0.71 0.00 0.00 54.79 51.13 2ava n ASP 63 Cb 0.77 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.97 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ava s ILE 64 N -4.11 4.59 0.25 0.53 -1.09 -1.26 -5.08 121.20 115.02 2ava s ILE 64 Ca 0.59 1.41 -0.02 0.00 -2.23 0.00 0.00 60.65 60.39 2ava s ILE 64 Cb 0.48 -3.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.42 2ava s ILE 64 CO 0.04 0.53 0.34 -1.20 -1.23 0.00 0.00 174.94 173.41 2ava n SER 65 N 1.62 0.21 -3.90 3.58 7.64 -1.26 -4.97 113.62 116.54 2ava n SER 65 Ca -0.08 -1.23 -0.25 0.00 1.01 0.00 0.00 58.87 58.31 2ava n SER 65 Cb 0.50 -0.24 0.14 0.00 -1.01 0.00 0.00 64.21 63.59 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2ava n THR 66 N -2.17 0.00 -0.40 0.44 5.66 -1.26 -3.77 114.28 112.78 2ava n THR 66 Ca 0.05 -0.13 0.35 0.00 -3.05 0.00 0.00 64.05 61.27 2ava n THR 66 Cb 0.17 -0.45 0.68 0.00 -1.55 0.00 0.00 70.33 69.18 2ava n THR 66 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 2ava h ILE 67 N -2.23 0.33 0.04 1.09 5.03 -1.79 0.29 117.51 120.26 2ava h ILE 67 Ca -0.36 -0.04 0.03 0.00 -0.12 0.00 0.00 64.86 64.37 2ava h ILE 67 Cb 1.03 0.21 -0.05 0.00 -3.03 0.00 0.00 36.82 34.99 2ava h ILE 67 CO 0.24 0.02 -0.34 1.56 -0.68 0.00 0.00 178.15 178.95 2ava h GLN 68 N 0.11 -0.50 -0.08 2.37 1.08 -0.94 0.26 115.11 117.42 2ava h GLN 68 Ca 0.67 0.03 -0.24 0.00 -1.45 0.00 0.00 58.65 57.66 2ava h GLN 68 Cb 2.34 0.11 0.02 0.00 -0.05 0.00 0.00 27.48 29.90 2ava h GLN 68 CO -0.15 -0.33 -0.91 0.37 -0.95 0.00 0.00 178.83 176.86 2ava h GLN 69 N -0.52 0.75 -0.82 1.46 -0.00 -1.25 -3.12 115.11 111.61 2ava h GLN 69 Ca 0.05 -0.70 0.10 0.00 -0.00 0.00 0.00 58.65 58.09 2ava h GLN 69 Cb 0.59 0.18 -0.07 0.00 0.00 0.00 0.00 27.48 28.17 2ava h GLN 69 CO -0.26 1.29 0.46 0.00 0.00 0.00 0.00 178.83 180.33 2ava h ALA 70 N 0.47 1.17 -0.68 3.38 0.00 -0.87 -0.86 119.26 121.87 2ava h ALA 70 Ca -0.09 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2ava h ALA 70 Cb 1.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2ava h ALA 70 CO 0.18 0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.65 2ava h ALA 71 N 1.46 0.94 -0.33 0.00 0.00 -0.51 -1.38 119.26 119.45 2ava h ALA 71 Ca 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2ava h ALA 71 Cb 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ava h ALA 71 CO -0.25 0.66 0.12 0.22 0.00 0.00 0.00 179.25 180.01 2ava h ASP 72 N 1.04 0.45 -0.69 0.00 3.58 -1.20 -0.31 116.42 119.29 2ava h ASP 72 Ca 0.21 -0.17 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 2ava h ASP 72 Cb 0.41 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 2ava h ASP 72 CO 0.01 0.50 0.18 0.58 -2.88 0.00 0.00 179.24 177.63 2ava h VAL 73 N 0.38 1.26 -0.52 2.25 2.07 -1.07 -2.93 116.25 117.68 2ava h VAL 73 Ca 0.11 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.60 2ava h VAL 73 Cb 0.20 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2ava h VAL 73 CO -0.01 0.36 0.01 0.40 0.02 0.00 0.00 177.57 178.35 2ava h ILE 74 N 1.03 1.26 -0.63 4.57 2.04 -1.08 -2.54 117.51 122.16 2ava h ILE 74 Ca 0.22 -1.08 0.12 0.00 1.00 0.00 0.00 64.86 65.12 2ava h ILE 74 Cb 0.35 0.92 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 2ava h ILE 74 CO 0.00 0.38 0.15 -0.33 0.00 0.00 0.00 178.15 178.35 2ava h GLU 75 N 0.79 0.27 -0.32 2.37 5.08 -0.87 0.14 114.58 122.03 2ava h GLU 75 Ca 0.15 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 2ava h GLU 75 Cb 0.51 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ava h GLU 75 CO 0.02 0.18 -0.33 0.78 -1.00 0.00 0.00 179.01 178.66 2ava h GLY 76 N 0.28 0.77 2.00 -3.84 0.00 -1.42 -2.82 103.07 98.04 2ava h GLY 76 Ca 0.33 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 2ava h GLY 76 CO -0.41 0.66 -0.13 1.41 0.00 0.00 0.00 176.54 178.07 2ava h LEU 77 N 0.60 0.00 -1.67 3.11 3.38 -0.79 -0.30 115.31 119.65 2ava h LEU 77 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2ava h LEU 77 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2ava h LEU 77 CO 0.07 0.13 -0.11 -0.07 0.09 0.00 0.00 178.44 178.55 2ava h LEU 78 N 0.00 0.00 0.00 1.67 3.38 -0.50 -3.30 115.31 116.56 2ava h LEU 78 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 2ava h LEU 78 Cb 0.60 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2ava h LEU 78 CO 0.02 0.11 -1.38 -0.62 0.09 0.00 0.00 178.44 176.66 2ava n GLU 79 N -3.37 0.54 0.00 1.13 -0.58 -0.97 -4.99 120.64 112.40 2ava n GLU 79 Ca -0.01 0.33 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 2ava n GLU 79 Cb 0.30 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 2ava n GLU 79 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2ava n LYS 80 N -4.43 0.00 -3.59 3.49 -0.00 -0.93 -5.16 118.16 107.55 2ava n LYS 80 Ca -0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 57.99 2ava n LYS 80 Cb 0.60 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.03 35.50 2ava n LYS 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2ava s LYS 81 N -1.00 0.36 0.00 -1.58 -2.85 -0.17 -4.84 119.74 109.67 2ava s LYS 81 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 2ava s LYS 81 Cb 0.00 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.94 2ava s LYS 81 CO 0.00 -0.15 0.32 0.00 0.10 0.00 0.00 175.35 175.61