#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 3.72 0.25 0.00 -0.14 -1.26 -4.81 119.74 117.50 2ava s LYS 2 Ca 0.00 1.88 -0.03 0.00 -1.36 0.00 0.00 55.97 56.46 2ava s LYS 2 Cb 0.00 -2.45 0.48 0.00 -1.68 0.00 0.00 37.83 34.18 2ava s LYS 2 CO 0.00 -0.61 1.74 0.87 -0.76 0.00 0.00 175.35 176.59 2ava h LYS 3 N 2.09 0.49 -1.00 1.68 1.57 -2.02 0.61 116.57 119.99 2ava h LYS 3 Ca -0.49 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 58.42 2ava h LYS 3 Cb 1.25 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.35 2ava h LYS 3 CO 0.60 0.33 0.62 1.05 -0.57 0.00 0.00 179.45 181.48 2ava h GLU 4 N 0.51 0.81 0.03 3.15 4.11 -2.00 0.64 114.58 121.84 2ava h GLU 4 Ca 0.43 -0.05 -0.22 0.00 0.07 0.00 0.00 59.36 59.59 2ava h GLU 4 Cb 0.63 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.72 2ava h GLU 4 CO -0.38 0.54 -0.88 1.15 0.07 0.00 0.00 179.01 179.51 2ava h THR 5 N 0.83 1.36 -0.70 -1.06 2.02 -1.32 -2.79 112.91 111.25 2ava h THR 5 Ca 0.55 -2.24 0.04 0.00 0.77 0.00 0.00 66.41 65.53 2ava h THR 5 Cb 0.76 2.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.73 2ava h THR 5 CO -0.33 0.67 0.43 0.40 0.37 0.00 0.00 175.52 177.06 2ava h ILE 6 N 0.10 1.06 -0.28 3.11 2.04 -0.11 -0.14 117.51 123.28 2ava h ILE 6 Ca -0.12 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 2ava h ILE 6 Cb 1.57 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2ava h ILE 6 CO 0.17 0.15 -0.30 -0.78 0.00 0.00 0.00 178.15 177.39 2ava h ASP 7 N 0.82 0.59 0.44 1.72 1.82 -0.99 -2.22 116.42 118.59 2ava h ASP 7 Ca 0.29 -0.22 -0.02 0.00 -0.39 0.00 0.00 57.03 56.69 2ava h ASP 7 Cb 0.07 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.92 2ava h ASP 7 CO -0.13 0.86 -0.21 0.11 -1.61 0.00 0.00 179.24 178.25 2ava h LYS 8 N 0.49 -0.57 -0.20 0.28 1.79 -1.07 -2.71 116.57 114.58 2ava h LYS 8 Ca 0.06 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.62 2ava h LYS 8 Cb 0.76 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.49 2ava h LYS 8 CO 0.06 -0.26 -0.13 0.28 -1.08 0.00 0.00 179.45 178.32 2ava h VAL 9 N -0.88 0.63 -0.79 0.50 2.07 -1.08 -0.40 116.25 116.29 2ava h VAL 9 Ca -0.06 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.68 2ava h VAL 9 Cb 0.57 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2ava h VAL 9 CO 0.10 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.53 2ava h SER 10 N -0.12 0.05 -0.15 0.57 0.02 -1.44 0.02 113.55 112.50 2ava h SER 10 Ca 0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2ava h SER 10 Cb 0.29 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2ava h SER 10 CO -0.27 0.02 -0.29 -0.78 -1.14 0.00 0.00 176.83 174.36 2ava h ASP 11 N 0.05 0.51 -0.96 3.07 3.58 -0.74 -2.95 116.42 118.98 2ava h ASP 11 Ca 0.38 -0.56 0.23 0.00 0.42 0.00 0.00 57.03 57.50 2ava h ASP 11 Cb 1.44 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 42.27 2ava h ASP 11 CO -0.02 0.97 0.63 0.40 -2.88 0.00 0.00 179.24 178.34 2ava h ILE 12 N 0.07 0.62 -0.08 2.25 5.03 -0.48 0.20 117.51 125.13 2ava h ILE 12 Ca 0.00 -0.14 -0.22 0.00 -0.12 0.00 0.00 64.86 64.39 2ava h ILE 12 Cb 0.89 0.19 0.01 0.00 -3.03 0.00 0.00 36.82 34.87 2ava h ILE 12 CO 0.07 0.07 -0.82 0.58 -0.68 0.00 0.00 178.15 177.37 2ava h VAL 13 N 0.40 1.33 -0.41 1.67 2.07 -1.47 -3.21 116.25 116.62 2ava h VAL 13 Ca 0.51 -2.15 -0.15 0.00 0.82 0.00 0.00 66.70 65.74 2ava h VAL 13 Cb 1.30 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 2ava h VAL 13 CO -0.21 0.66 -0.33 0.11 0.02 0.00 0.00 177.57 177.82 2ava h LYS 14 N 0.38 0.95 -0.10 1.57 1.57 -0.59 -2.83 116.57 117.52 2ava h LYS 14 Ca -0.06 -0.47 0.03 0.00 -1.87 0.00 0.00 60.65 58.28 2ava h LYS 14 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 2ava h LYS 14 CO 0.15 1.13 0.11 0.93 -0.57 0.00 0.00 179.45 181.21 2ava h GLU 15 N 0.78 0.00 0.14 3.15 4.39 -0.79 0.43 114.58 122.69 2ava h GLU 15 Ca 0.08 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2ava h GLU 15 Cb 0.92 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2ava h GLU 15 CO 0.09 0.00 -0.27 0.87 -1.16 0.00 0.00 179.01 178.54 2ava h LYS 16 N 0.00 -0.48 -0.23 2.33 1.79 -1.50 -3.06 116.57 115.42 2ava h LYS 16 Ca 0.05 0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 2ava h LYS 16 Cb 0.27 0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 2ava h LYS 16 CO -0.00 -0.32 -0.06 1.47 -1.08 0.00 0.00 179.45 179.46 2ava n LEU 17 N -5.38 3.61 -2.97 2.94 -0.00 -0.96 -5.02 117.00 109.22 2ava n LEU 17 Ca -0.07 -3.36 -0.11 0.00 -0.00 0.00 0.00 56.01 52.47 2ava n LEU 17 Cb 0.29 -0.56 0.01 0.00 -0.00 0.00 0.00 43.42 43.17 2ava n LEU 17 CO 0.25 0.94 -0.22 0.00 -0.00 0.00 0.00 177.39 178.36 2ava n ALA 18 N -0.94 -2.91 -3.67 1.47 0.00 0.13 -5.05 120.51 109.54 2ava n ALA 18 Ca 0.24 0.72 -0.04 0.00 0.00 0.00 0.00 53.44 54.36 2ava n ALA 18 Cb 0.88 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 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 0.16 0.00 0.00 0.00 4.32 0.36 -4.92 117.00 116.92 2ava n LEU 19 Ca 0.04 -0.50 0.00 0.00 -0.02 0.00 0.00 56.01 55.52 2ava n LEU 19 Cb 0.38 0.16 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 2ava n LEU 19 CO 0.43 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.14 2ava n GLY 20 N 2.00 0.99 0.59 -0.72 0.00 -1.26 -4.71 105.19 102.07 2ava n GLY 20 Ca -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.92 1.91 -1.58 4.61 0.00 -1.26 -4.78 120.51 117.48 2ava n ALA 21 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 53.44 52.89 2ava n ALA 21 Cb 0.00 0.10 0.08 0.00 0.00 0.00 0.00 19.45 19.63 2ava n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 22 N -3.44 5.81 -4.00 0.00 8.00 -1.26 -4.97 116.55 116.69 2ava n ASP 22 Ca -0.04 -3.77 -0.13 0.00 0.71 0.00 0.00 54.79 51.56 2ava n ASP 22 Cb 0.15 -0.71 -0.12 0.00 -0.02 0.00 0.00 41.12 40.42 2ava n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ava s VAL 23 N -4.45 0.39 -0.64 2.53 0.11 -1.26 -5.11 120.40 111.98 2ava s VAL 23 Ca 0.57 -0.72 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 2ava s VAL 23 Cb 0.46 -0.43 0.07 0.00 -1.53 0.00 0.00 36.38 34.95 2ava s VAL 23 CO 0.02 -0.23 0.92 -0.69 -3.33 0.00 0.00 175.10 171.79 2ava s VAL 24 N -0.92 4.40 0.23 2.04 1.01 -1.26 -4.79 120.40 121.12 2ava s VAL 24 Ca -0.07 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.20 2ava s VAL 24 Cb -0.07 -4.64 -0.11 0.00 0.00 0.00 0.00 36.38 31.56 2ava s VAL 24 CO -0.00 -1.38 1.65 0.54 0.00 0.00 0.00 175.10 175.91 2ava s VAL 25 N 3.85 2.14 0.06 2.92 0.11 -1.26 -5.00 120.40 123.22 2ava s VAL 25 Ca 0.21 0.11 -0.08 0.00 -2.93 0.00 0.00 61.98 59.29 2ava s VAL 25 Cb -0.18 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 2ava s VAL 25 CO 0.10 0.01 0.15 0.42 -3.33 0.00 0.00 175.10 172.46 2ava s THR 26 N 0.72 0.14 -0.35 5.04 -4.23 -1.26 -5.04 115.64 110.65 2ava s THR 26 Ca 0.70 -1.16 0.23 0.00 -1.18 0.00 0.00 61.69 60.28 2ava s THR 26 Cb -0.48 -1.18 0.04 0.00 1.34 0.00 0.00 72.50 72.21 2ava s THR 26 CO 0.38 -0.64 1.15 0.00 -0.54 0.00 0.00 174.62 174.97 2ava h ALA 27 N 3.11 0.55 -0.02 3.99 0.00 -1.94 -3.29 119.26 121.67 2ava h ALA 27 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ava h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ava h ALA 27 CO 0.54 0.00 -0.01 -3.47 0.00 0.00 0.00 179.25 176.31 2ava n ASP 28 N -2.57 1.61 -4.56 0.00 -0.08 -1.26 -0.16 116.55 109.53 2ava n ASP 28 Ca 0.01 -1.51 -0.27 0.00 -1.51 0.00 0.00 54.79 51.51 2ava n ASP 28 Cb 0.52 0.01 -0.05 0.00 2.34 0.00 0.00 41.12 43.94 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2ava s SER 29 N -2.03 5.14 -0.28 1.67 0.15 -1.24 -4.85 113.70 112.27 2ava s SER 29 Ca 0.36 -0.74 -0.37 0.00 0.70 0.00 0.00 55.95 55.91 2ava s SER 29 Cb 0.21 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 61.83 2ava s SER 29 CO 0.34 -2.76 1.99 -0.62 1.20 0.00 0.00 173.24 173.40 2ava n GLU 30 N 8.82 1.31 -2.59 5.44 1.02 -1.26 -4.25 120.64 129.13 2ava n GLU 30 Ca 0.40 0.43 -0.32 0.00 -0.02 0.00 0.00 57.16 57.65 2ava n GLU 30 Cb 0.47 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.47 2ava n GLU 30 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2ava s PHE 31 N 5.52 3.43 -1.08 -0.32 -0.71 -1.26 -3.72 117.98 119.85 2ava s PHE 31 Ca 1.03 1.39 -0.01 0.00 -1.04 0.00 0.00 56.93 58.30 2ava s PHE 31 Cb -0.90 -2.72 0.01 0.00 -1.21 0.00 0.00 43.02 38.20 2ava s PHE 31 CO 0.55 -0.25 0.06 -1.13 -1.34 0.00 0.00 175.22 173.10 2ava n SER 32 N -1.32 -3.92 -0.08 1.98 3.41 -1.26 -4.84 113.62 107.59 2ava n SER 32 Ca 0.06 0.13 -0.21 0.00 -0.26 0.00 0.00 58.87 58.59 2ava n SER 32 Cb 0.54 -3.32 -0.12 0.00 -0.26 0.00 0.00 64.21 61.05 2ava n SER 32 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2ava h LYS 33 N -0.12 0.04 -3.37 4.33 3.11 -1.97 -3.49 116.57 115.10 2ava h LYS 33 Ca -0.31 -0.07 -0.15 0.00 -2.81 0.00 0.00 60.65 57.32 2ava h LYS 33 Cb 1.23 0.03 -0.22 0.00 -1.00 0.00 0.00 32.23 32.26 2ava h LYS 33 CO 0.37 1.03 -0.45 -0.51 -2.81 0.00 0.00 179.45 177.07 2ava s LEU 34 N -7.80 1.36 0.00 5.20 1.43 -1.26 -5.16 118.68 112.45 2ava s LEU 34 Ca -0.27 -0.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2ava s LEU 34 Cb 0.05 0.77 0.00 0.00 0.03 0.00 0.00 46.19 47.04 2ava s LEU 34 CO 0.63 -0.30 0.00 0.61 0.23 0.00 0.00 176.35 177.51 2ava n GLY 35 N 1.82 3.82 0.11 -3.19 0.00 -1.26 -5.01 105.19 101.48 2ava n GLY 35 Ca -0.20 -0.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.86 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava h ALA 36 N 0.00 0.42 -2.18 4.61 0.00 -2.05 -3.47 119.26 116.59 2ava h ALA 36 Ca 0.00 -1.25 -0.50 0.00 0.00 0.00 0.00 54.91 53.16 2ava h ALA 36 Cb 0.00 0.41 0.21 0.00 0.00 0.00 0.00 17.79 18.41 2ava h ALA 36 CO 0.00 1.28 -0.08 -3.47 0.00 0.00 0.00 179.25 176.98 2ava n ASP 37 N -3.37 -0.78 -4.54 0.00 2.03 -1.26 -4.90 116.55 103.74 2ava n ASP 37 Ca -0.20 0.24 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 2ava n ASP 37 Cb 1.04 -1.34 -0.03 0.00 -0.72 0.00 0.00 41.12 40.07 2ava n ASP 37 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ava s SER 38 N -2.41 6.32 -0.48 1.67 1.04 -1.26 -4.98 113.70 113.59 2ava s SER 38 Ca 0.64 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 2ava s SER 38 Cb -0.22 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.49 2ava s SER 38 CO 0.62 -1.49 0.39 -0.76 0.98 0.00 0.00 173.24 172.98 2ava s LEU 39 N 4.75 5.71 -0.25 2.42 1.43 -1.26 -5.05 118.68 126.42 2ava s LEU 39 Ca 0.35 -1.63 -0.12 0.00 -1.03 0.00 0.00 54.13 51.70 2ava s LEU 39 Cb -0.10 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 2ava s LEU 39 CO 0.19 -0.70 0.24 -1.81 0.23 0.00 0.00 176.35 174.51 2ava s ASP 40 N 2.81 6.15 0.24 2.29 1.11 -1.26 -4.98 116.67 123.04 2ava s ASP 40 Ca 0.04 0.16 -0.05 0.00 0.18 0.00 0.00 52.55 52.88 2ava s ASP 40 Cb -0.26 -2.15 0.34 0.00 1.07 0.00 0.00 42.92 41.92 2ava s ASP 40 CO 0.03 -0.03 1.86 0.74 1.18 0.00 0.00 175.17 178.94 2ava h THR 41 N 5.20 1.05 -0.95 -1.27 2.02 -1.97 -1.46 112.91 115.52 2ava h THR 41 Ca -0.36 -0.34 0.20 0.00 0.77 0.00 0.00 66.41 66.68 2ava h THR 41 Cb 1.17 -0.04 -0.08 0.00 -1.74 0.00 0.00 68.15 67.46 2ava h THR 41 CO 0.63 0.18 0.61 0.58 0.37 0.00 0.00 175.52 177.89 2ava h VAL 42 N 1.00 0.68 -0.23 3.16 2.07 -1.93 0.23 116.25 121.23 2ava h VAL 42 Ca 0.38 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 67.56 2ava h VAL 42 Cb 0.17 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2ava h VAL 42 CO -0.17 0.10 -0.53 -0.33 0.02 0.00 0.00 177.57 176.66 2ava h GLU 43 N 0.53 0.66 0.13 1.57 4.39 -1.69 -2.15 114.58 118.01 2ava h GLU 43 Ca 0.52 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2ava h GLU 43 Cb 1.11 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2ava h GLU 43 CO -0.25 1.02 -0.06 0.82 -1.16 0.00 0.00 179.01 179.38 2ava h ILE 44 N 0.51 1.04 -0.70 3.13 1.08 -0.62 -2.80 117.51 119.14 2ava h ILE 44 Ca 0.02 -1.11 0.08 0.00 -0.39 0.00 0.00 64.86 63.45 2ava h ILE 44 Cb 1.08 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 36.48 2ava h ILE 44 CO 0.11 0.25 0.46 1.62 -0.69 0.00 0.00 178.15 179.90 2ava h VAL 45 N -0.74 0.97 -0.46 1.67 3.04 -0.76 -1.66 116.25 118.32 2ava h VAL 45 Ca -0.02 -0.23 -0.04 0.00 -1.01 0.00 0.00 66.70 65.41 2ava h VAL 45 Cb 0.53 0.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.05 2ava h VAL 45 CO 0.03 0.12 0.13 0.24 -1.01 0.00 0.00 177.57 177.08 2ava h MET 46 N 0.66 0.72 0.18 4.17 2.86 -1.40 0.16 114.93 122.27 2ava h MET 46 Ca 0.32 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2ava h MET 46 Cb 0.38 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2ava h MET 46 CO -0.11 0.70 -0.08 -0.91 1.06 0.00 0.00 176.91 177.57 2ava h ASN 47 N 0.61 -0.20 -0.11 1.22 4.21 -1.04 0.26 115.58 120.53 2ava h ASN 47 Ca 0.15 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 2ava h ASN 47 Cb 0.29 0.05 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2ava h ASN 47 CO -0.00 -0.10 0.04 -0.07 -1.29 0.00 0.00 177.43 176.01 2ava h LEU 48 N -0.29 0.16 -1.84 1.61 3.38 -1.37 0.24 115.31 117.21 2ava h LEU 48 Ca -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2ava h LEU 48 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2ava h LEU 48 CO 0.04 0.30 -0.10 -0.08 0.09 0.00 0.00 178.44 178.69 2ava h GLU 49 N 0.02 0.00 0.03 1.13 4.81 -0.62 -1.41 114.58 118.54 2ava h GLU 49 Ca 0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2ava h GLU 49 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2ava h GLU 49 CO -0.00 0.10 -0.02 1.49 -0.73 0.00 0.00 179.01 179.85 2ava h GLU 50 N 0.00 -0.05 0.07 1.92 4.57 -0.08 0.35 114.58 121.35 2ava h GLU 50 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2ava h GLU 50 Cb 0.18 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2ava h GLU 50 CO 0.01 0.05 -0.47 1.49 -1.18 0.00 0.00 179.01 178.91 2ava h GLU 51 N -1.01 -0.62 0.00 1.92 4.57 -0.49 0.79 114.58 119.75 2ava h GLU 51 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 2ava h GLU 51 Cb 0.11 0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2ava h GLU 51 CO 0.01 -0.41 0.00 1.19 -1.18 0.00 0.00 179.01 178.62 2ava n PHE 52 N -5.12 0.51 -3.51 0.92 3.72 -0.54 -4.89 117.46 108.55 2ava n PHE 52 Ca -0.07 0.22 -0.20 0.00 -0.05 0.00 0.00 57.45 57.34 2ava n PHE 52 Cb 0.36 -0.85 0.06 0.00 -0.94 0.00 0.00 39.48 38.11 2ava n PHE 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ava n GLY 53 N -0.33 -0.63 2.02 1.37 0.00 0.27 -5.01 105.19 102.88 2ava n GLY 53 Ca 0.02 0.29 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.95 0.00 -3.93 -0.61 -5.35 0.04 -5.01 119.36 100.55 2ava n ILE 54 Ca -0.21 -1.26 -0.30 0.00 -0.27 0.00 0.00 62.75 60.71 2ava n ILE 54 Cb 0.65 0.05 -0.14 0.00 -1.74 0.00 0.00 39.64 38.46 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 -2.62 4.30 0.11 7.28 6.03 -1.26 -4.77 114.94 124.00 2ava s ASN 55 Ca 0.07 -3.06 0.02 0.00 -1.03 0.00 0.00 52.86 48.86 2ava s ASN 55 Cb -0.01 -1.59 -0.04 0.00 -3.03 0.00 0.00 41.25 36.58 2ava s ASN 55 CO 0.04 -0.22 0.23 -0.69 -2.03 0.00 0.00 177.10 174.43 2ava s VAL 56 N -0.34 5.20 0.20 3.54 1.01 -1.26 -5.04 120.40 123.71 2ava s VAL 56 Ca 0.18 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2ava s VAL 56 Cb -0.24 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2ava s VAL 56 CO -0.01 0.01 -0.09 -0.62 0.00 0.00 0.00 175.10 174.39 2ava s ASP 57 N -2.88 4.24 0.37 3.32 2.15 -1.26 -5.01 116.67 117.59 2ava s ASP 57 Ca 0.34 -0.62 0.07 0.00 0.43 0.00 0.00 52.55 52.77 2ava s ASP 57 Cb -0.12 -0.70 0.79 0.00 -0.30 0.00 0.00 42.92 42.59 2ava s ASP 57 CO 0.27 0.08 1.94 1.05 -0.17 0.00 0.00 175.17 178.34 2ava h GLU 58 N 2.72 0.69 0.00 4.34 4.11 -2.00 0.32 114.58 124.76 2ava h GLU 58 Ca -0.46 -0.04 -0.03 0.00 0.07 0.00 0.00 59.36 58.90 2ava h GLU 58 Cb 1.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2ava h GLU 58 CO 0.55 0.46 -0.12 0.22 0.07 0.00 0.00 179.01 180.19 2ava h ASP 59 N 0.71 0.00 -0.01 3.06 1.82 -2.00 -1.44 116.42 118.55 2ava h ASP 59 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 2ava h ASP 59 Cb 0.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.43 2ava h ASP 59 CO -0.13 0.12 -0.47 1.17 -1.61 0.00 0.00 179.24 178.33 2ava n LYS 60 N -3.28 1.31 -0.36 0.28 3.00 0.47 -4.27 118.16 115.30 2ava n LYS 60 Ca 0.00 -0.88 0.07 0.00 -0.00 0.00 0.00 58.31 57.50 2ava n LYS 60 Cb 0.36 -1.42 0.13 0.00 0.00 0.00 0.00 35.03 34.10 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 -0.14 2.61 -0.04 3.14 0.00 0.84 -4.67 120.51 122.25 2ava n ALA 61 Ca 0.08 -2.58 -0.05 0.00 0.00 0.00 0.00 53.44 50.90 2ava n ALA 61 Cb 0.42 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.04 0.31 -1.52 0.00 -0.00 -0.58 -4.69 117.38 109.86 2ava n GLN 62 Ca 0.14 0.04 -0.32 0.00 -0.00 0.00 0.00 57.00 56.86 2ava n GLN 62 Cb 0.69 -1.14 0.06 0.00 -0.00 0.00 0.00 30.24 29.86 2ava n GLN 62 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 2ava n ASP 63 N -2.68 6.93 -4.81 2.61 5.68 -1.26 -5.00 116.55 118.01 2ava n ASP 63 Ca -0.12 -3.78 -0.38 0.00 -0.50 0.00 0.00 54.79 50.01 2ava n ASP 63 Cb 0.64 -0.80 -0.06 0.00 -1.14 0.00 0.00 41.12 39.76 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2ava s ILE 64 N -4.76 4.68 0.08 2.12 -1.09 -1.26 -5.08 121.20 115.88 2ava s ILE 64 Ca 0.61 1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 60.25 2ava s ILE 64 Cb 0.48 -3.90 0.02 0.00 -1.58 0.00 0.00 42.46 37.48 2ava s ILE 64 CO 0.00 0.44 0.11 -0.24 -1.23 0.00 0.00 174.94 174.02 2ava n SER 65 N 1.37 0.02 -3.49 3.58 2.88 -1.26 -4.98 113.62 111.74 2ava n SER 65 Ca -0.07 -1.05 -0.20 0.00 -1.33 0.00 0.00 58.87 56.22 2ava n SER 65 Cb 0.51 -0.08 0.19 0.00 -0.75 0.00 0.00 64.21 64.07 2ava n SER 65 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2ava n THR 66 N -2.07 0.00 -0.29 2.46 5.66 -1.26 -3.95 114.28 114.83 2ava n THR 66 Ca 0.01 -0.03 0.30 0.00 -3.05 0.00 0.00 64.05 61.28 2ava n THR 66 Cb 0.05 -0.62 0.67 0.00 -1.55 0.00 0.00 70.33 68.87 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 -2.97 0.48 0.03 1.09 5.03 -1.65 0.39 117.51 119.91 2ava h ILE 67 Ca -0.27 -0.04 0.03 0.00 -0.12 0.00 0.00 64.86 64.45 2ava h ILE 67 Cb 0.88 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.96 2ava h ILE 67 CO 0.17 0.02 -0.36 1.56 -0.68 0.00 0.00 178.15 178.87 2ava h GLN 68 N 0.13 -0.51 0.03 2.37 1.08 -0.85 -0.05 115.11 117.30 2ava h GLN 68 Ca 0.54 0.03 -0.22 0.00 -1.45 0.00 0.00 58.65 57.56 2ava h GLN 68 Cb 1.89 0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 29.43 2ava h GLN 68 CO -0.10 -0.34 -0.97 0.37 -0.95 0.00 0.00 178.83 176.85 2ava h GLN 69 N -0.53 0.22 -0.70 1.46 -0.00 -1.45 -3.11 115.11 111.00 2ava h GLN 69 Ca 0.05 -0.27 0.08 0.00 -0.00 0.00 0.00 58.65 58.51 2ava h GLN 69 Cb 0.60 0.09 -0.07 0.00 0.00 0.00 0.00 27.48 28.10 2ava h GLN 69 CO -0.27 1.03 0.36 0.00 0.00 0.00 0.00 178.83 179.95 2ava h ALA 70 N 0.87 0.96 -0.31 3.38 0.00 -0.62 0.47 119.26 124.02 2ava h ALA 70 Ca -0.06 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2ava h ALA 70 Cb 1.63 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 2ava h ALA 70 CO 0.15 -0.02 -0.48 0.00 0.00 0.00 0.00 179.25 178.90 2ava h ALA 71 N 1.41 0.57 -0.58 0.00 0.00 -1.07 -2.82 119.26 116.76 2ava h ALA 71 Ca 0.34 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2ava h ALA 71 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2ava h ALA 71 CO -0.25 0.68 0.30 0.22 0.00 0.00 0.00 179.25 180.20 2ava h ASP 72 N 0.66 0.74 0.41 0.00 1.82 -1.28 -2.05 116.42 116.71 2ava h ASP 72 Ca 0.03 -0.11 -0.02 0.00 -0.39 0.00 0.00 57.03 56.54 2ava h ASP 72 Cb 1.07 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.89 2ava h ASP 72 CO 0.11 0.64 -0.20 0.58 -1.61 0.00 0.00 179.24 178.76 2ava h VAL 73 N 0.78 0.60 -0.75 2.25 2.07 -0.91 -2.87 116.25 117.42 2ava h VAL 73 Ca 0.20 -0.05 0.13 0.00 0.82 0.00 0.00 66.70 67.80 2ava h VAL 73 Cb 0.08 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 2ava h VAL 73 CO -0.03 0.01 0.33 0.40 0.02 0.00 0.00 177.57 178.30 2ava h ILE 74 N -0.58 0.72 -0.83 4.57 2.04 -1.42 -0.59 117.51 121.42 2ava h ILE 74 Ca -0.06 -0.17 0.15 0.00 1.00 0.00 0.00 64.86 65.78 2ava h ILE 74 Cb 0.44 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 2ava h ILE 74 CO 0.09 0.09 0.40 -0.33 0.00 0.00 0.00 178.15 178.41 2ava h GLU 75 N 0.50 0.56 -0.25 2.37 5.08 -1.16 0.31 114.58 121.99 2ava h GLU 75 Ca 0.40 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 2ava h GLU 75 Cb 0.56 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2ava h GLU 75 CO -0.36 0.37 -0.49 0.78 -1.00 0.00 0.00 179.01 178.31 2ava h GLY 76 N 0.57 0.75 2.00 -3.84 0.00 -0.93 -3.06 103.07 98.56 2ava h GLY 76 Ca 0.45 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 2ava h GLY 76 CO -0.38 0.75 -0.48 1.41 0.00 0.00 0.00 176.54 177.84 2ava h LEU 77 N 0.54 0.00 -1.49 3.11 3.38 -0.38 -3.03 115.31 117.44 2ava h LEU 77 Ca 0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2ava h LEU 77 Cb 1.05 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2ava h LEU 77 CO 0.10 0.48 0.57 -0.07 0.09 0.00 0.00 178.44 179.61 2ava h LEU 78 N 0.00 0.44 -2.77 1.67 3.38 -0.33 0.27 115.31 117.97 2ava h LEU 78 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ava h LEU 78 Cb 0.95 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2ava h LEU 78 CO 0.06 0.20 0.00 -1.84 0.09 0.00 0.00 178.44 176.95 2ava n GLU 79 N -4.51 2.76 -1.55 1.13 0.28 -1.16 -4.93 120.64 112.66 2ava n GLU 79 Ca 0.18 -2.41 -0.04 0.00 -0.16 0.00 0.00 57.16 54.72 2ava n GLU 79 Cb 0.61 -1.45 -0.01 0.00 1.43 0.00 0.00 31.44 32.02 2ava n GLU 79 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2ava n LYS 80 N 1.21 -1.61 -3.46 3.44 -0.00 0.95 -4.81 118.16 113.88 2ava n LYS 80 Ca 0.19 0.22 -0.28 0.00 -0.00 0.00 0.00 58.31 58.45 2ava n LYS 80 Cb 0.55 -4.44 -0.12 0.00 -0.00 0.00 0.00 35.03 31.01 2ava n LYS 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2ava s LYS 81 N -3.18 0.50 0.00 -1.58 2.47 -1.19 -5.03 119.74 111.73 2ava s LYS 81 Ca 0.00 -1.15 0.24 0.00 -1.56 0.00 0.00 55.97 53.50 2ava s LYS 81 Cb 0.00 -1.21 0.20 0.00 -1.46 0.00 0.00 37.83 35.36 2ava s LYS 81 CO 0.00 -1.18 1.27 0.00 0.16 0.00 0.00 175.35 175.60