#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 4.21 0.36 0.00 -0.14 -1.26 -4.85 119.74 118.06 2ava s LYS 2 Ca 0.00 1.96 0.11 0.00 -1.36 0.00 0.00 55.97 56.68 2ava s LYS 2 Cb 0.00 -2.86 0.89 0.00 -1.68 0.00 0.00 37.83 34.18 2ava s LYS 2 CO 0.00 -0.22 1.84 0.87 -0.76 0.00 0.00 175.35 177.08 2ava h LYS 3 N 3.01 0.60 -0.84 1.68 1.57 -2.01 0.20 116.57 120.78 2ava h LYS 3 Ca -0.49 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.37 2ava h LYS 3 Cb 1.23 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 33.33 2ava h LYS 3 CO 0.64 0.39 0.47 1.05 -0.57 0.00 0.00 179.45 181.44 2ava h GLU 4 N 0.61 0.75 0.04 3.15 -0.00 -2.00 0.17 114.58 117.30 2ava h GLU 4 Ca 0.49 -0.04 -0.21 0.00 -0.00 0.00 0.00 59.36 59.60 2ava h GLU 4 Cb 0.94 -0.17 0.02 0.00 -0.00 0.00 0.00 28.75 29.54 2ava h GLU 4 CO -0.24 0.49 -0.85 1.79 -0.00 0.00 0.00 179.01 180.20 2ava h THR 5 N 0.77 1.38 -0.86 -1.06 1.35 -1.38 -2.78 112.91 110.33 2ava h THR 5 Ca 0.42 -2.25 0.08 0.00 -0.55 0.00 0.00 66.41 64.10 2ava h THR 5 Cb 0.43 2.65 -0.07 0.00 -1.73 0.00 0.00 68.15 69.43 2ava h THR 5 CO -0.27 0.67 0.52 0.40 -0.25 0.00 0.00 175.52 176.58 2ava h ILE 6 N 0.04 0.98 -0.32 6.82 2.04 -0.72 0.74 117.51 127.10 2ava h ILE 6 Ca -0.12 -0.31 -0.16 0.00 1.00 0.00 0.00 64.86 65.27 2ava h ILE 6 Cb 1.56 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2ava h ILE 6 CO 0.17 0.16 -0.44 0.44 0.00 0.00 0.00 178.15 178.48 2ava h ASP 7 N 0.90 0.89 0.53 1.72 3.32 -1.05 -2.59 116.42 120.14 2ava h ASP 7 Ca 0.39 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2ava h ASP 7 Cb 0.27 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2ava h ASP 7 CO -0.21 1.19 -0.25 0.11 -1.72 0.00 0.00 179.24 178.36 2ava h LYS 8 N 0.66 -0.69 -0.33 3.56 1.79 -1.04 -2.57 116.57 117.95 2ava h LYS 8 Ca 0.04 0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 2ava h LYS 8 Cb 1.01 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.75 2ava h LYS 8 CO 0.10 -0.39 -0.16 0.28 -1.08 0.00 0.00 179.45 178.20 2ava h VAL 9 N -0.91 0.50 -0.34 0.50 2.07 -0.95 0.16 116.25 117.28 2ava h VAL 9 Ca -0.07 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 2ava h VAL 9 Cb 0.62 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ava h VAL 9 CO 0.12 0.00 0.33 0.77 0.02 0.00 0.00 177.57 178.81 2ava h SER 10 N -0.11 0.00 -0.08 0.57 4.64 -1.46 -0.98 113.55 116.12 2ava h SER 10 Ca 0.17 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 2ava h SER 10 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2ava h SER 10 CO -0.40 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 174.55 2ava h ASP 11 N 0.00 0.34 -0.92 4.97 3.58 -0.27 -2.96 116.42 121.16 2ava h ASP 11 Ca 0.16 -0.59 0.19 0.00 0.42 0.00 0.00 57.03 57.21 2ava h ASP 11 Cb 0.81 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.69 2ava h ASP 11 CO -0.00 0.88 0.60 0.40 -2.88 0.00 0.00 179.24 178.23 2ava h ILE 12 N -0.18 0.70 -0.23 2.25 5.03 -0.67 0.88 117.51 125.29 2ava h ILE 12 Ca -0.00 -0.17 -0.17 0.00 -0.12 0.00 0.00 64.86 64.39 2ava h ILE 12 Cb 0.84 0.15 -0.00 0.00 -3.03 0.00 0.00 36.82 34.77 2ava h ILE 12 CO 0.05 0.09 -0.54 0.58 -0.68 0.00 0.00 178.15 177.65 2ava h VAL 13 N 0.51 1.30 -0.54 1.67 2.07 -1.51 -3.13 116.25 116.62 2ava h VAL 13 Ca 0.49 -1.76 -0.08 0.00 0.82 0.00 0.00 66.70 66.16 2ava h VAL 13 Cb 1.06 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.51 2ava h VAL 13 CO -0.22 0.56 0.02 0.11 0.02 0.00 0.00 177.57 178.06 2ava h LYS 14 N 0.54 0.94 -0.05 1.57 1.57 -0.72 -2.60 116.57 117.82 2ava h LYS 14 Ca 0.01 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.52 2ava h LYS 14 Cb 1.11 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 2ava h LYS 14 CO 0.11 0.94 0.04 0.93 -0.57 0.00 0.00 179.45 180.90 2ava h GLU 15 N 0.81 0.00 -0.80 3.15 4.39 -1.16 0.38 114.58 121.35 2ava h GLU 15 Ca 0.15 0.00 0.14 0.00 0.34 0.00 0.00 59.36 60.00 2ava h GLU 15 Cb 0.50 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 2ava h GLU 15 CO 0.02 0.00 0.38 0.87 -1.16 0.00 0.00 179.01 179.12 2ava h LYS 16 N 0.00 0.53 0.00 2.33 1.79 -1.41 -2.70 116.57 117.11 2ava h LYS 16 Ca 0.02 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2ava h LYS 16 Cb 0.11 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 2ava h LYS 16 CO -0.00 0.35 -0.30 1.47 -1.08 0.00 0.00 179.45 179.88 2ava n LEU 17 N -4.93 1.89 -2.97 2.94 -0.00 -0.83 -5.03 117.00 108.07 2ava n LEU 17 Ca 0.16 -2.81 -0.13 0.00 -0.00 0.00 0.00 56.01 53.22 2ava n LEU 17 Cb 0.42 -0.34 0.01 0.00 -0.00 0.00 0.00 43.42 43.51 2ava n LEU 17 CO 0.20 0.78 0.01 0.00 -0.00 0.00 0.00 177.39 178.38 2ava n ALA 18 N -0.93 -2.88 -4.22 1.47 0.00 0.95 -5.05 120.51 109.86 2ava n ALA 18 Ca 0.13 0.99 -0.18 0.00 0.00 0.00 0.00 53.44 54.38 2ava n ALA 18 Cb 0.71 -3.44 -0.04 0.00 0.00 0.00 0.00 19.45 16.68 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 -0.37 0.00 0.00 0.00 4.32 0.83 -4.89 117.00 116.89 2ava n LEU 19 Ca 0.08 -1.98 0.00 0.00 -0.02 0.00 0.00 56.01 54.09 2ava n LEU 19 Cb 0.50 0.52 0.00 0.00 -1.62 0.00 0.00 43.42 42.82 2ava n LEU 19 CO 0.50 -0.30 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2ava n GLY 20 N 0.62 0.98 0.02 -0.72 0.00 -1.26 -4.65 105.19 100.17 2ava n GLY 20 Ca -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.86 0.15 -1.24 4.61 0.00 -1.26 -4.74 120.51 116.16 2ava n ALA 21 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 53.44 53.21 2ava n ALA 21 Cb 0.00 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.84 2.54 -4.54 0.00 -0.08 -1.26 -5.02 116.55 105.35 2ava n ASP 22 Ca -0.02 -3.37 -0.30 0.00 -1.51 0.00 0.00 54.79 49.59 2ava n ASP 22 Cb 0.09 -0.51 -0.10 0.00 2.34 0.00 0.00 41.12 42.93 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 -3.01 3.16 -0.00 5.18 1.01 -1.26 -5.12 120.40 120.36 2ava s VAL 23 Ca 0.38 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 2ava s VAL 23 Cb 0.33 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2ava s VAL 23 CO 0.01 0.11 0.59 -0.69 0.00 0.00 0.00 175.10 175.12 2ava s VAL 24 N -1.18 4.91 -0.11 2.92 1.01 -1.26 -4.70 120.40 121.98 2ava s VAL 24 Ca 0.20 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.31 2ava s VAL 24 Cb -0.11 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 2ava s VAL 24 CO 0.12 0.43 0.22 0.54 0.00 0.00 0.00 175.10 176.41 2ava s VAL 25 N -0.23 5.36 -0.01 2.92 0.11 -1.26 -5.08 120.40 122.21 2ava s VAL 25 Ca 0.31 0.40 -0.03 0.00 -2.93 0.00 0.00 61.98 59.73 2ava s VAL 25 Cb -0.18 -3.51 -0.00 0.00 -1.53 0.00 0.00 36.38 31.15 2ava s VAL 25 CO 0.17 0.55 0.05 0.42 -3.33 0.00 0.00 175.10 172.97 2ava s THR 26 N -0.62 0.05 -0.55 5.04 -4.23 -1.26 -5.03 115.64 109.04 2ava s THR 26 Ca 0.16 -0.44 0.24 0.00 -1.18 0.00 0.00 61.69 60.47 2ava s THR 26 Cb -0.13 -0.23 0.31 0.00 1.34 0.00 0.00 72.50 73.79 2ava s THR 26 CO 0.05 -0.24 1.66 0.00 -0.54 0.00 0.00 174.62 175.55 2ava h ALA 27 N 5.20 0.99 -0.01 3.99 0.00 -1.95 -3.10 119.26 124.38 2ava h ALA 27 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ava h ALA 27 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2ava h ALA 27 CO 0.43 0.00 -0.38 -0.25 0.00 0.00 0.00 179.25 179.05 2ava n ASP 28 N -2.77 0.94 -4.56 0.00 9.92 -1.26 -0.19 116.55 118.63 2ava n ASP 28 Ca 0.05 -0.75 -0.22 0.00 -0.53 0.00 0.00 54.79 53.33 2ava n ASP 28 Cb 0.49 0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 41.15 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2ava s SER 29 N -2.68 4.60 -0.25 -2.24 0.15 -1.17 -4.80 113.70 107.31 2ava s SER 29 Ca 0.19 -0.23 -0.37 0.00 0.70 0.00 0.00 55.95 56.24 2ava s SER 29 Cb 0.18 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.81 2ava s SER 29 CO 0.60 -3.20 1.92 -0.62 1.20 0.00 0.00 173.24 173.13 2ava n GLU 30 N 8.87 1.43 -1.95 5.44 1.02 -1.26 -4.26 120.64 129.93 2ava n GLU 30 Ca 0.41 0.50 -0.30 0.00 -0.02 0.00 0.00 57.16 57.75 2ava n GLU 30 Cb 0.46 -2.36 0.04 0.00 -0.02 0.00 0.00 31.44 29.56 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 4.80 3.32 -1.41 -0.32 -0.71 -1.26 -4.14 117.98 118.26 2ava s PHE 31 Ca 1.00 1.00 -0.05 0.00 -1.04 0.00 0.00 56.93 57.85 2ava s PHE 31 Cb -0.90 -3.02 0.03 0.00 -1.21 0.00 0.00 43.02 37.92 2ava s PHE 31 CO 0.57 -1.12 0.71 0.45 -1.34 0.00 0.00 175.22 174.49 2ava n SER 32 N -2.95 -1.98 0.01 1.98 2.88 -1.26 -4.88 113.62 107.43 2ava n SER 32 Ca 0.07 -0.87 -0.01 0.00 -1.33 0.00 0.00 58.87 56.73 2ava n SER 32 Cb 0.57 -3.70 -0.10 0.00 -0.75 0.00 0.00 64.21 60.23 2ava n SER 32 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2ava n LYS 33 N -4.41 0.63 -1.68 -1.46 2.85 -1.26 -4.90 118.16 107.92 2ava n LYS 33 Ca -0.20 0.17 -0.43 0.00 -1.05 0.00 0.00 58.31 56.80 2ava n LYS 33 Cb 0.63 -1.75 -0.03 0.00 -0.65 0.00 0.00 35.03 33.22 2ava n LYS 33 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2ava n LEU 34 N -2.83 3.93 -4.65 -5.58 4.77 -1.26 -4.92 117.00 106.45 2ava n LEU 34 Ca -0.12 0.98 -0.43 0.00 -0.03 0.00 0.00 56.01 56.41 2ava n LEU 34 Cb 0.86 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 2ava n LEU 34 CO 0.43 0.12 0.94 -0.83 -1.33 0.00 0.00 177.39 176.73 2ava s GLY 35 N 2.94 1.62 0.12 -0.72 0.00 -1.26 -5.01 107.32 105.00 2ava s GLY 35 Ca 0.84 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 45.59 2ava s GLY 35 CO 0.39 2.24 0.05 0.00 0.00 0.00 0.00 173.10 175.79 2ava s ALA 36 N 3.46 0.72 0.34 3.20 0.00 -1.26 -5.04 121.76 123.18 2ava s ALA 36 Ca 0.45 -1.37 0.05 0.00 0.00 0.00 0.00 51.96 51.09 2ava s ALA 36 Cb -0.13 0.74 0.60 0.00 0.00 0.00 0.00 23.12 24.33 2ava s ALA 36 CO 0.11 -0.47 1.86 0.38 0.00 0.00 0.00 175.76 177.64 2ava h ASP 37 N 2.90 0.45 -1.84 0.00 2.03 -2.06 -3.44 116.42 114.47 2ava h ASP 37 Ca -0.35 -0.09 -0.55 0.00 -0.73 0.00 0.00 57.03 55.31 2ava h ASP 37 Cb 1.19 -0.12 -0.08 0.00 -0.83 0.00 0.00 39.33 39.49 2ava h ASP 37 CO 0.60 0.56 -0.55 -0.55 -1.03 0.00 0.00 179.24 178.27 2ava s SER 38 N -6.77 4.55 -0.10 4.15 0.15 -1.26 -5.13 113.70 109.29 2ava s SER 38 Ca -0.07 -0.86 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 2ava s SER 38 Cb 0.15 -0.65 -0.03 0.00 -1.71 0.00 0.00 66.02 63.78 2ava s SER 38 CO 0.76 -0.33 -0.04 -0.76 1.20 0.00 0.00 173.24 174.08 2ava s LEU 39 N -3.83 3.31 -0.34 3.45 1.02 -1.26 -5.00 118.68 116.02 2ava s LEU 39 Ca 0.38 -0.01 0.08 0.00 0.02 0.00 0.00 54.13 54.60 2ava s LEU 39 Cb -0.01 -1.76 0.63 0.00 0.02 0.00 0.00 46.19 45.07 2ava s LEU 39 CO 0.22 0.30 1.70 0.47 0.02 0.00 0.00 176.35 179.06 2ava n ASP 40 N 2.64 3.64 -0.12 2.29 8.00 -1.26 -4.56 116.55 127.19 2ava n ASP 40 Ca -0.18 -3.51 -0.11 0.00 0.71 0.00 0.00 54.79 51.71 2ava n ASP 40 Cb 0.53 -0.72 0.02 0.00 -0.02 0.00 0.00 41.12 40.93 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2ava h THR 41 N 1.51 1.27 -0.61 -3.53 2.02 -1.94 -2.86 112.91 108.77 2ava h THR 41 Ca 0.35 -1.45 0.05 0.00 0.77 0.00 0.00 66.41 66.13 2ava h THR 41 Cb 2.22 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 69.85 2ava h THR 41 CO 0.70 0.49 0.40 0.58 0.37 0.00 0.00 175.52 178.06 2ava h VAL 42 N 0.76 1.03 -0.24 3.16 2.07 -1.92 0.18 116.25 121.29 2ava h VAL 42 Ca 0.09 -0.22 -0.16 0.00 0.82 0.00 0.00 66.70 67.23 2ava h VAL 42 Cb 0.85 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2ava h VAL 42 CO 0.07 0.12 -0.46 -0.33 0.02 0.00 0.00 177.57 176.99 2ava h GLU 43 N 0.65 0.73 0.19 1.57 3.07 -1.86 -2.25 114.58 116.68 2ava h GLU 43 Ca 0.26 -0.47 -0.01 0.00 -0.50 0.00 0.00 59.36 58.64 2ava h GLU 43 Cb 0.19 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 2ava h GLU 43 CO -0.07 1.09 -0.09 0.82 -1.40 0.00 0.00 179.01 179.36 2ava h ILE 44 N 0.46 0.91 -0.54 3.13 1.08 -1.16 -2.61 117.51 118.77 2ava h ILE 44 Ca 0.01 -0.86 0.11 0.00 -0.39 0.00 0.00 64.86 63.73 2ava h ILE 44 Cb 1.07 1.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.17 2ava h ILE 44 CO 0.10 0.18 0.37 1.62 -0.69 0.00 0.00 178.15 179.74 2ava h VAL 45 N -0.70 0.86 -0.15 1.67 3.04 -0.77 -1.70 116.25 118.49 2ava h VAL 45 Ca -0.03 -0.10 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 2ava h VAL 45 Cb 0.49 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 30.33 2ava h VAL 45 CO 0.04 0.05 -0.03 0.24 -1.01 0.00 0.00 177.57 176.86 2ava h MET 46 N 0.28 0.29 0.21 4.17 2.86 -1.35 0.03 114.93 121.43 2ava h MET 46 Ca 0.25 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2ava h MET 46 Cb 0.63 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2ava h MET 46 CO -0.06 0.57 -0.20 -0.91 1.06 0.00 0.00 176.91 177.37 2ava h ASN 47 N -0.01 -0.53 0.16 1.22 4.21 -0.93 0.27 115.58 119.96 2ava h ASN 47 Ca 0.04 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 2ava h ASN 47 Cb 0.46 0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2ava h ASN 47 CO 0.01 -0.30 -0.08 -0.07 -1.29 0.00 0.00 177.43 175.71 2ava h LEU 48 N -0.44 -0.18 -2.05 1.61 3.38 -1.45 0.26 115.31 116.44 2ava h LEU 48 Ca -0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2ava h LEU 48 Cb 0.41 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2ava h LEU 48 CO -0.04 -0.08 0.10 -0.08 0.09 0.00 0.00 178.44 178.43 2ava h GLU 49 N -0.27 0.00 0.03 1.13 4.81 -0.87 0.24 114.58 119.64 2ava h GLU 49 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ava h GLU 49 Cb 0.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2ava h GLU 49 CO 0.04 0.00 -0.01 1.49 -0.73 0.00 0.00 179.01 179.79 2ava h GLU 50 N 0.00 -0.03 -0.00 1.92 4.57 0.09 0.14 114.58 121.27 2ava h GLU 50 Ca 0.06 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2ava h GLU 50 Cb 0.26 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 2ava h GLU 50 CO -0.00 -0.02 -0.41 1.49 -1.18 0.00 0.00 179.01 178.89 2ava h GLU 51 N -0.75 -0.55 0.00 1.92 4.57 -0.43 0.11 114.58 119.46 2ava h GLU 51 Ca -0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2ava h GLU 51 Cb 0.03 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2ava h GLU 51 CO 0.01 -0.36 0.00 0.74 -1.18 0.00 0.00 179.01 178.21 2ava h PHE 52 N -0.57 0.00 -5.68 0.92 0.04 -1.13 -3.47 116.94 107.05 2ava h PHE 52 Ca 0.05 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.50 2ava h PHE 52 Cb 0.65 0.00 0.16 0.00 2.20 0.00 0.00 35.95 38.95 2ava h PHE 52 CO -0.42 0.00 -0.83 0.41 -0.60 0.00 0.00 178.31 176.87 2ava n GLY 53 N -0.40 -0.74 1.51 -1.45 0.00 0.38 -4.61 105.19 99.88 2ava n GLY 53 Ca 0.01 0.34 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.78 0.00 -3.69 -0.61 -5.35 -0.02 -4.17 119.36 101.73 2ava n ILE 54 Ca -0.18 -1.01 -0.29 0.00 -0.27 0.00 0.00 62.75 61.00 2ava n ILE 54 Cb 0.64 0.22 -0.12 0.00 -1.74 0.00 0.00 39.64 38.64 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 -2.16 3.51 -0.16 7.28 6.03 -1.26 -4.76 114.94 123.42 2ava s ASN 55 Ca 0.01 -2.84 -0.07 0.00 -1.03 0.00 0.00 52.86 48.93 2ava s ASN 55 Cb 0.00 -1.03 -0.04 0.00 -3.03 0.00 0.00 41.25 37.15 2ava s ASN 55 CO 0.01 -0.23 0.08 0.54 -2.03 0.00 0.00 177.10 175.47 2ava s VAL 56 N 0.09 4.97 0.44 3.54 0.11 -1.26 -5.07 120.40 123.22 2ava s VAL 56 Ca 0.21 0.02 -0.09 0.00 -2.93 0.00 0.00 61.98 59.19 2ava s VAL 56 Cb -0.18 -3.21 -0.05 0.00 -1.53 0.00 0.00 36.38 31.40 2ava s VAL 56 CO -0.05 0.51 0.79 -0.62 -3.33 0.00 0.00 175.10 172.40 2ava s ASP 57 N -0.08 6.43 0.26 3.54 2.15 -1.26 -4.91 116.67 122.81 2ava s ASP 57 Ca 0.08 1.09 -0.02 0.00 0.43 0.00 0.00 52.55 54.12 2ava s ASP 57 Cb -0.12 -2.31 0.45 0.00 -0.30 0.00 0.00 42.92 40.64 2ava s ASP 57 CO 0.01 -0.47 1.83 -0.33 -0.17 0.00 0.00 175.17 176.04 2ava h GLU 58 N 0.89 0.91 0.00 4.34 5.08 -1.99 0.26 114.58 124.08 2ava h GLU 58 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2ava h GLU 58 Cb 1.19 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ava h GLU 58 CO 0.63 0.60 0.00 0.22 -1.00 0.00 0.00 179.01 179.46 2ava h ASP 59 N 0.94 0.00 -0.00 1.42 3.58 -2.00 -0.51 116.42 119.84 2ava h ASP 59 Ca 0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.89 2ava h ASP 59 Cb 0.37 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.42 2ava h ASP 59 CO -0.24 0.00 -0.83 1.17 -2.88 0.00 0.00 179.24 176.47 2ava n LYS 60 N -2.80 0.92 -0.60 0.28 3.00 0.73 -4.34 118.16 115.35 2ava n LYS 60 Ca -0.01 -0.11 0.06 0.00 -0.00 0.00 0.00 58.31 58.26 2ava n LYS 60 Cb 0.15 -1.38 0.17 0.00 0.00 0.00 0.00 35.03 33.97 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 -1.28 3.17 -0.02 3.14 0.00 -0.06 -4.64 120.51 120.81 2ava n ALA 61 Ca 0.04 -2.98 -0.03 0.00 0.00 0.00 0.00 53.44 50.48 2ava n ALA 61 Cb 0.30 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.33 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 0.35 -1.48 0.00 -0.00 -0.34 -4.72 117.38 110.24 2ava n GLN 62 Ca 0.16 0.02 -0.27 0.00 -0.00 0.00 0.00 57.00 56.91 2ava n GLN 62 Cb 0.74 -1.08 0.08 0.00 -0.00 0.00 0.00 30.24 29.98 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2ava n ASP 63 N -2.58 5.90 -4.79 2.61 2.03 -1.26 -5.01 116.55 113.46 2ava n ASP 63 Ca -0.07 -3.77 -0.39 0.00 0.52 0.00 0.00 54.79 51.09 2ava n ASP 63 Cb 0.58 -0.72 -0.06 0.00 -0.72 0.00 0.00 41.12 40.19 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ava s ILE 64 N -4.46 4.59 0.01 5.18 -1.09 -1.26 -5.08 121.20 119.09 2ava s ILE 64 Ca 0.58 1.47 -0.00 0.00 -2.23 0.00 0.00 60.65 60.46 2ava s ILE 64 Cb 0.46 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 2ava s ILE 64 CO 0.02 0.51 0.01 -0.24 -1.23 0.00 0.00 174.94 174.00 2ava n SER 65 N 1.85 -0.08 -3.60 3.58 2.88 -1.26 -4.97 113.62 112.02 2ava n SER 65 Ca -0.07 -0.96 -0.21 0.00 -1.33 0.00 0.00 58.87 56.30 2ava n SER 65 Cb 0.50 -0.01 0.17 0.00 -0.75 0.00 0.00 64.21 64.13 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 -2.05 0.00 -0.29 2.46 5.66 -1.26 -4.00 114.28 114.79 2ava n THR 66 Ca 0.00 -0.06 0.30 0.00 -3.05 0.00 0.00 64.05 61.24 2ava n THR 66 Cb 0.00 -0.58 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 -2.80 0.48 0.13 1.09 5.03 -1.66 -0.35 117.51 119.44 2ava h ILE 67 Ca -0.29 -0.04 0.02 0.00 -0.12 0.00 0.00 64.86 64.42 2ava h ILE 67 Cb 0.90 0.34 -0.04 0.00 -3.03 0.00 0.00 36.82 34.98 2ava h ILE 67 CO 0.19 0.02 -0.37 1.56 -0.68 0.00 0.00 178.15 178.87 2ava h GLN 68 N 0.13 -0.59 -0.10 2.37 1.08 -0.87 0.11 115.11 117.24 2ava h GLN 68 Ca 0.54 0.04 -0.19 0.00 -1.45 0.00 0.00 58.65 57.59 2ava h GLN 68 Cb 1.89 0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 29.45 2ava h GLN 68 CO -0.10 -0.39 -0.72 0.37 -0.95 0.00 0.00 178.83 177.04 2ava h GLN 69 N -0.61 0.48 0.06 1.46 4.15 -1.46 -3.16 115.11 116.04 2ava h GLN 69 Ca 0.02 -0.38 0.02 0.00 0.77 0.00 0.00 58.65 59.08 2ava h GLN 69 Cb 0.64 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2ava h GLN 69 CO -0.21 1.01 -0.21 0.00 -1.93 0.00 0.00 178.83 177.49 2ava h ALA 70 N 0.88 -0.31 -0.77 3.38 0.00 -0.77 -0.94 119.26 120.72 2ava h ALA 70 Ca -0.03 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.95 2ava h ALA 70 Cb 1.30 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.37 2ava h ALA 70 CO 0.13 -0.72 0.43 0.00 0.00 0.00 0.00 179.25 179.08 2ava h ALA 71 N 0.47 1.08 -0.70 0.00 0.00 -0.85 -1.52 119.26 117.73 2ava h ALA 71 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ava h ALA 71 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2ava h ALA 71 CO -0.15 0.07 0.46 -0.44 0.00 0.00 0.00 179.25 179.18 2ava h ASP 72 N 0.74 0.82 0.67 0.00 3.32 -1.39 -1.56 116.42 119.01 2ava h ASP 72 Ca 0.37 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2ava h ASP 72 Cb 0.32 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2ava h ASP 72 CO -0.24 0.60 -0.32 0.58 -1.72 0.00 0.00 179.24 178.15 2ava h VAL 73 N 0.95 0.31 -0.97 -1.35 2.07 -0.26 -2.87 116.25 114.13 2ava h VAL 73 Ca 0.26 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.85 2ava h VAL 73 Cb -0.09 0.34 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 2ava h VAL 73 CO -0.05 0.01 0.61 0.40 0.02 0.00 0.00 177.57 178.56 2ava h ILE 74 N -0.97 0.75 -0.54 4.57 5.03 -1.23 -0.98 117.51 124.14 2ava h ILE 74 Ca -0.09 -0.25 0.10 0.00 -0.12 0.00 0.00 64.86 64.49 2ava h ILE 74 Cb 0.71 -0.04 -0.08 0.00 -3.03 0.00 0.00 36.82 34.39 2ava h ILE 74 CO 0.15 0.13 0.12 -0.33 -0.68 0.00 0.00 178.15 177.54 2ava h GLU 75 N 0.73 0.25 0.00 2.37 5.08 -1.06 0.11 114.58 122.05 2ava h GLU 75 Ca 0.53 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.85 2ava h GLU 75 Cb 0.86 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 2ava h GLU 75 CO -0.30 0.16 -0.13 0.78 -1.00 0.00 0.00 179.01 178.53 2ava h GLY 76 N 0.25 0.00 1.34 -3.84 0.00 -1.05 -1.50 103.07 98.27 2ava h GLY 76 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2ava h GLY 76 CO -0.36 0.00 -0.51 1.41 0.00 0.00 0.00 176.54 177.09 2ava h LEU 77 N 0.00 0.00 0.00 3.11 3.38 -0.73 -3.26 115.31 117.81 2ava h LEU 77 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2ava h LEU 77 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ava h LEU 77 CO 0.02 0.07 -0.63 0.18 0.09 0.00 0.00 178.44 178.17 2ava n LEU 78 N -2.23 0.63 -0.15 1.67 4.77 0.09 -2.03 117.00 119.74 2ava n LEU 78 Ca 0.03 -0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.78 2ava n LEU 78 Cb 0.45 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2ava n LEU 78 CO 0.35 0.16 0.74 -0.33 -1.33 0.00 0.00 177.39 176.98 2ava h GLU 79 N 0.00 0.84 -0.00 3.23 5.08 -1.48 -3.24 114.58 119.01 2ava h GLU 79 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2ava h GLU 79 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2ava h GLU 79 CO 0.00 0.94 -0.21 0.36 -1.00 0.00 0.00 179.01 179.10 2ava n LYS 80 N -4.30 4.14 -3.43 2.33 -0.00 -1.26 -4.81 118.16 110.84 2ava n LYS 80 Ca -0.00 -0.17 -0.27 0.00 -0.00 0.00 0.00 58.31 57.87 2ava n LYS 80 Cb 0.36 -0.83 -0.10 0.00 -0.00 0.00 0.00 35.03 34.46 2ava n LYS 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2ava n LYS 81 N -0.85 0.55 0.00 -1.58 3.00 -0.86 -5.15 118.16 113.28 2ava n LYS 81 Ca 0.02 -3.40 0.00 0.00 -0.00 0.00 0.00 58.31 54.93 2ava n LYS 81 Cb 0.10 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40