#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 4.05 0.29 0.00 -0.14 -1.26 -4.86 119.74 117.81 2ava s LYS 2 Ca 0.00 1.31 0.03 0.00 -1.36 0.00 0.00 55.97 55.95 2ava s LYS 2 Cb 0.00 -2.24 0.63 0.00 -1.68 0.00 0.00 37.83 34.54 2ava s LYS 2 CO 0.00 -0.21 1.79 0.87 -0.76 0.00 0.00 175.35 177.04 2ava h LYS 3 N 1.94 0.78 -0.82 1.68 1.57 -2.02 -0.13 116.57 119.57 2ava h LYS 3 Ca -0.49 -0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.39 2ava h LYS 3 Cb 1.20 -0.18 -0.09 0.00 0.08 0.00 0.00 32.23 33.24 2ava h LYS 3 CO 0.61 0.52 0.39 1.05 -0.57 0.00 0.00 179.45 181.44 2ava h GLU 4 N 0.80 0.54 0.02 3.15 4.11 -2.00 0.11 114.58 121.32 2ava h GLU 4 Ca 0.53 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.77 2ava h GLU 4 Cb 0.72 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.86 2ava h GLU 4 CO -0.34 0.36 -0.63 1.15 0.07 0.00 0.00 179.01 179.61 2ava h THR 5 N 0.56 1.44 -0.79 -1.06 2.02 -1.47 -2.88 112.91 110.72 2ava h THR 5 Ca 0.45 -2.14 0.10 0.00 0.77 0.00 0.00 66.41 65.58 2ava h THR 5 Cb 0.65 2.68 -0.07 0.00 -1.74 0.00 0.00 68.15 69.66 2ava h THR 5 CO -0.38 0.62 0.43 0.40 0.37 0.00 0.00 175.52 176.97 2ava h ILE 6 N -0.14 0.87 -0.29 3.11 2.04 -0.46 0.68 117.51 123.32 2ava h ILE 6 Ca -0.08 -0.25 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 2ava h ILE 6 Cb 1.36 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2ava h ILE 6 CO 0.12 0.13 -0.31 0.44 0.00 0.00 0.00 178.15 178.54 2ava h ASP 7 N 0.72 0.63 0.50 1.72 3.32 -0.89 -2.39 116.42 120.02 2ava h ASP 7 Ca 0.39 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2ava h ASP 7 Cb 0.39 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2ava h ASP 7 CO -0.26 0.90 -0.24 0.11 -1.72 0.00 0.00 179.24 178.02 2ava h LYS 8 N 0.52 -0.64 -0.21 3.56 1.79 -0.97 -2.70 116.57 117.91 2ava h LYS 8 Ca 0.06 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.63 2ava h LYS 8 Cb 0.79 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.52 2ava h LYS 8 CO 0.06 -0.34 -0.25 0.28 -1.08 0.00 0.00 179.45 178.13 2ava h VAL 9 N -0.99 0.38 -0.78 0.50 2.07 -0.97 0.76 116.25 117.21 2ava h VAL 9 Ca -0.07 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.67 2ava h VAL 9 Cb 0.60 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2ava h VAL 9 CO 0.11 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.54 2ava h SER 10 N -0.28 0.04 -0.15 0.57 0.02 -1.49 0.36 113.55 112.62 2ava h SER 10 Ca 0.13 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 2ava h SER 10 Cb 0.47 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2ava h SER 10 CO -0.37 0.02 -0.46 -0.78 -1.14 0.00 0.00 176.83 174.10 2ava h ASP 11 N 0.04 0.66 -0.95 3.07 3.58 -0.53 -2.98 116.42 119.31 2ava h ASP 11 Ca 0.38 -0.60 0.22 0.00 0.42 0.00 0.00 57.03 57.45 2ava h ASP 11 Cb 1.45 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 42.23 2ava h ASP 11 CO -0.02 1.14 0.62 0.40 -2.88 0.00 0.00 179.24 178.50 2ava h ILE 12 N 0.22 0.65 -0.05 2.25 5.03 -0.08 0.26 117.51 125.78 2ava h ILE 12 Ca -0.01 -0.15 -0.22 0.00 -0.12 0.00 0.00 64.86 64.35 2ava h ILE 12 Cb 1.08 0.18 0.01 0.00 -3.03 0.00 0.00 36.82 35.05 2ava h ILE 12 CO 0.10 0.08 -0.87 0.58 -0.68 0.00 0.00 178.15 177.35 2ava h VAL 13 N 0.43 1.35 -0.27 1.67 2.07 -1.49 -3.22 116.25 116.79 2ava h VAL 13 Ca 0.51 -2.24 -0.15 0.00 0.82 0.00 0.00 66.70 65.63 2ava h VAL 13 Cb 1.23 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2ava h VAL 13 CO -0.21 0.68 -0.44 0.11 0.02 0.00 0.00 177.57 177.73 2ava h LYS 14 N 0.33 0.70 0.00 1.57 1.57 -0.66 -2.77 116.57 117.31 2ava h LYS 14 Ca -0.07 -0.38 -0.00 0.00 -1.87 0.00 0.00 60.65 58.32 2ava h LYS 14 Cb 1.50 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.83 2ava h LYS 14 CO 0.16 1.00 -0.01 0.93 -0.57 0.00 0.00 179.45 180.96 2ava h GLU 15 N 0.56 0.00 -0.43 3.15 4.39 -0.66 0.40 114.58 122.00 2ava h GLU 15 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2ava h GLU 15 Cb 0.99 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2ava h GLU 15 CO 0.09 0.01 0.26 0.87 -1.16 0.00 0.00 179.01 179.09 2ava h LYS 16 N 0.00 0.57 0.00 2.33 1.79 -1.50 -3.18 116.57 116.59 2ava h LYS 16 Ca -0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 2ava h LYS 16 Cb 0.11 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 2ava h LYS 16 CO 0.00 0.42 -0.26 1.47 -1.08 0.00 0.00 179.45 180.00 2ava n LEU 17 N -4.76 2.32 -3.05 2.94 -0.00 -0.92 -5.03 117.00 108.51 2ava n LEU 17 Ca 0.01 -3.27 -0.16 0.00 -0.00 0.00 0.00 56.01 52.59 2ava n LEU 17 Cb 0.05 -0.43 0.02 0.00 -0.00 0.00 0.00 43.42 43.05 2ava n LEU 17 CO 0.35 0.95 -0.02 0.00 -0.00 0.00 0.00 177.39 178.67 2ava n ALA 18 N -1.17 -2.80 -4.14 1.47 0.00 0.10 -5.04 120.51 108.92 2ava n ALA 18 Ca 0.16 0.87 -0.18 0.00 0.00 0.00 0.00 53.44 54.30 2ava n ALA 18 Cb 0.68 -3.21 -0.04 0.00 0.00 0.00 0.00 19.45 16.87 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 -0.42 0.00 0.00 0.00 4.32 0.84 -4.91 117.00 116.83 2ava n LEU 19 Ca 0.05 -1.96 0.00 0.00 -0.02 0.00 0.00 56.01 54.08 2ava n LEU 19 Cb 0.52 0.60 0.00 0.00 -1.62 0.00 0.00 43.42 42.92 2ava n LEU 19 CO 0.51 -0.30 0.00 0.61 -1.22 0.00 0.00 177.39 176.99 2ava n GLY 20 N 0.47 0.99 0.00 -0.72 0.00 -1.26 -4.65 105.19 100.01 2ava n GLY 20 Ca -0.05 -0.01 0.00 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 -1.97 0.00 0.38 4.61 0.00 -1.26 -4.75 120.51 117.52 2ava n ALA 21 Ca 0.00 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.41 2ava n ALA 21 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.03 1.08 -4.76 0.00 8.00 -1.26 -5.01 116.55 112.57 2ava n ASP 22 Ca 0.00 -0.53 -0.38 0.00 0.71 0.00 0.00 54.79 54.59 2ava n ASP 22 Cb 0.00 1.18 0.01 0.00 -0.02 0.00 0.00 41.12 42.29 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 -2.37 2.75 -0.64 2.53 0.11 -1.26 -4.96 120.40 116.56 2ava s VAL 23 Ca 0.02 0.57 -0.23 0.00 -2.93 0.00 0.00 61.98 59.41 2ava s VAL 23 Cb 0.09 -3.29 0.06 0.00 -1.53 0.00 0.00 36.38 31.71 2ava s VAL 23 CO 0.50 -0.00 0.97 -0.69 -3.33 0.00 0.00 175.10 172.55 2ava s VAL 24 N -1.45 4.31 0.22 2.04 1.01 -1.26 -4.79 120.40 120.48 2ava s VAL 24 Ca 0.66 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2ava s VAL 24 Cb -0.33 -4.66 -0.10 0.00 0.00 0.00 0.00 36.38 31.29 2ava s VAL 24 CO 0.40 -1.41 1.40 0.54 0.00 0.00 0.00 175.10 176.03 2ava s VAL 25 N 4.12 2.87 0.09 2.92 0.11 -1.26 -5.02 120.40 124.23 2ava s VAL 25 Ca 0.24 0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 59.96 2ava s VAL 25 Cb -0.16 -3.46 -0.02 0.00 -1.53 0.00 0.00 36.38 31.21 2ava s VAL 25 CO 0.12 0.11 0.09 0.42 -3.33 0.00 0.00 175.10 172.51 2ava s THR 26 N 0.11 0.16 -0.17 5.04 -4.23 -1.26 -5.05 115.64 110.24 2ava s THR 26 Ca 0.59 -1.54 0.21 0.00 -1.18 0.00 0.00 61.69 59.77 2ava s THR 26 Cb -0.40 -1.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.79 2ava s THR 26 CO 0.41 -0.73 0.86 0.00 -0.54 0.00 0.00 174.62 174.61 2ava n ALA 27 N -0.01 2.46 0.96 3.99 0.00 -1.26 -3.91 120.51 122.74 2ava n ALA 27 Ca -0.13 -0.37 0.13 0.00 0.00 0.00 0.00 53.44 53.07 2ava n ALA 27 Cb 0.62 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 19.43 2ava n ALA 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 28 N -2.62 0.38 -4.56 0.00 9.92 -1.26 -0.14 116.55 118.27 2ava n ASP 28 Ca -0.03 -0.01 -0.24 0.00 -0.53 0.00 0.00 54.79 53.98 2ava n ASP 28 Cb 0.62 0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 41.07 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 -3.12 4.51 -0.13 -2.24 0.15 -1.25 -4.77 113.70 106.85 2ava s SER 29 Ca 0.11 0.03 -0.37 0.00 0.70 0.00 0.00 55.95 56.42 2ava s SER 29 Cb 0.18 -2.54 -0.14 0.00 -1.71 0.00 0.00 66.02 61.80 2ava s SER 29 CO 0.65 -3.20 1.76 -0.62 1.20 0.00 0.00 173.24 173.03 2ava n GLU 30 N 8.91 1.71 0.10 5.44 1.02 -1.26 -4.17 120.64 132.38 2ava n GLU 30 Ca 0.40 0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 58.15 2ava n GLU 30 Cb 0.47 -2.39 -0.04 0.00 -0.02 0.00 0.00 31.44 29.46 2ava n GLU 30 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2ava h PHE 31 N 7.83 0.00 -2.90 -0.32 -0.00 -1.90 -3.42 116.94 116.24 2ava h PHE 31 Ca -0.47 0.00 -0.56 0.00 -0.00 0.00 0.00 57.97 56.93 2ava h PHE 31 Cb 1.29 0.00 -0.40 0.00 -0.00 0.00 0.00 35.95 36.84 2ava h PHE 31 CO 0.80 0.72 -0.78 0.45 -0.00 0.00 0.00 178.31 179.50 2ava s SER 32 N -6.54 3.63 0.00 -0.68 0.15 -1.26 -5.03 113.70 103.96 2ava s SER 32 Ca 0.02 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.01 2ava s SER 32 Cb 0.09 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 2ava s SER 32 CO 0.78 -0.40 0.00 0.29 1.20 0.00 0.00 173.24 175.11 2ava n LYS 33 N 4.78 0.00 -3.69 5.44 5.02 -1.26 -4.97 118.16 123.48 2ava n LYS 33 Ca -0.01 0.24 -0.11 0.00 -2.02 0.00 0.00 58.31 56.42 2ava n LYS 33 Cb 0.41 -0.72 -0.10 0.00 -0.02 0.00 0.00 35.03 34.59 2ava n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2ava s LEU 34 N -2.73 -0.11 0.00 -0.35 1.98 -1.26 -5.13 118.68 111.08 2ava s LEU 34 Ca 0.00 0.96 0.00 0.00 -2.89 0.00 0.00 54.13 52.20 2ava s LEU 34 Cb 0.00 1.49 0.00 0.00 0.66 0.00 0.00 46.19 48.34 2ava s LEU 34 CO 0.00 -0.19 0.00 0.61 -1.89 0.00 0.00 176.35 174.88 2ava n GLY 35 N 3.99 0.87 3.02 7.98 0.00 -1.26 -4.83 105.19 114.95 2ava n GLY 35 Ca -0.21 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 2.89 -0.96 -0.01 4.61 0.00 -1.26 -4.89 120.51 120.89 2ava n ALA 36 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 2ava n ALA 36 Cb 0.00 -2.76 -0.00 0.00 0.00 0.00 0.00 19.45 16.69 2ava n ALA 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2ava h ASP 37 N -0.82 0.00 -5.85 0.00 3.32 -2.01 -3.48 116.42 107.58 2ava h ASP 37 Ca -0.43 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.24 2ava h ASP 37 Cb 1.30 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.97 2ava h ASP 37 CO 0.50 0.15 -0.75 -1.20 -1.72 0.00 0.00 179.24 176.22 2ava n SER 38 N -2.74 -3.45 -2.96 6.45 7.64 -1.26 -2.05 113.62 115.24 2ava n SER 38 Ca -0.01 -0.65 -0.20 0.00 1.01 0.00 0.00 58.87 59.02 2ava n SER 38 Cb 0.04 -4.79 0.06 0.00 -1.01 0.00 0.00 64.21 58.51 2ava n SER 38 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ava n LEU 39 N -4.47 -3.00 0.00 -3.43 4.32 -1.26 -4.93 117.00 104.23 2ava n LEU 39 Ca -0.17 -0.40 -0.22 0.00 -0.02 0.00 0.00 56.01 55.21 2ava n LEU 39 Cb 0.62 -2.63 -0.14 0.00 -1.62 0.00 0.00 43.42 39.66 2ava n LEU 39 CO 0.65 0.46 -0.67 -0.78 -1.22 0.00 0.00 177.39 175.83 2ava h ASP 40 N -1.98 0.40 -0.89 -1.43 3.58 -1.78 -3.36 116.42 110.96 2ava h ASP 40 Ca -0.47 -0.88 0.22 0.00 0.42 0.00 0.00 57.03 56.32 2ava h ASP 40 Cb 1.31 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2ava h ASP 40 CO 0.47 1.77 0.61 0.74 -2.88 0.00 0.00 179.24 179.95 2ava h THR 41 N -0.11 0.63 -0.60 2.25 2.02 -1.92 0.12 112.91 115.30 2ava h THR 41 Ca -0.38 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 2ava h THR 41 Cb 1.91 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.67 2ava h THR 41 CO 0.06 0.04 -0.03 0.58 0.37 0.00 0.00 175.52 176.55 2ava h VAL 42 N 0.24 1.27 0.00 3.16 2.07 -1.92 0.19 116.25 121.25 2ava h VAL 42 Ca 0.45 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 2ava h VAL 42 Cb 1.37 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2ava h VAL 42 CO -0.11 0.43 -0.16 -0.33 0.02 0.00 0.00 177.57 177.41 2ava h GLU 43 N 0.97 0.00 0.00 1.57 5.08 -0.93 -2.47 114.58 118.81 2ava h GLU 43 Ca 0.17 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.37 2ava h GLU 43 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2ava h GLU 43 CO 0.04 0.16 -0.88 0.82 -1.00 0.00 0.00 179.01 178.15 2ava h ILE 44 N 0.00 1.07 -0.79 3.13 1.08 -0.98 -3.20 117.51 117.83 2ava h ILE 44 Ca -0.00 -2.13 0.09 0.00 -0.39 0.00 0.00 64.86 62.43 2ava h ILE 44 Cb 0.68 2.35 -0.05 0.00 -3.07 0.00 0.00 36.82 36.72 2ava h ILE 44 CO 0.02 0.36 0.51 1.62 -0.69 0.00 0.00 178.15 179.98 2ava h VAL 45 N -1.00 0.95 -0.38 1.67 3.04 -0.68 -1.19 116.25 118.66 2ava h VAL 45 Ca -0.24 -0.25 -0.15 0.00 -1.01 0.00 0.00 66.70 65.06 2ava h VAL 45 Cb 1.16 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 2ava h VAL 45 CO -0.14 0.13 -0.35 0.24 -1.01 0.00 0.00 177.57 176.43 2ava h MET 46 N 0.72 0.90 0.40 4.17 2.86 -1.60 -1.52 114.93 120.85 2ava h MET 46 Ca 0.36 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2ava h MET 46 Cb 0.44 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2ava h MET 46 CO -0.14 1.10 -0.19 -0.91 1.06 0.00 0.00 176.91 177.84 2ava h ASN 47 N 0.74 -0.45 0.01 1.22 4.21 -1.23 0.33 115.58 120.41 2ava h ASN 47 Ca 0.07 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.57 2ava h ASN 47 Cb 0.93 0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 2ava h ASN 47 CO 0.09 -0.29 -0.01 -0.07 -1.29 0.00 0.00 177.43 175.87 2ava h LEU 48 N -0.58 -0.01 -1.07 1.61 3.38 -1.41 0.24 115.31 117.47 2ava h LEU 48 Ca -0.05 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.89 2ava h LEU 48 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2ava h LEU 48 CO 0.09 0.04 0.63 -0.08 0.09 0.00 0.00 178.44 179.21 2ava h GLU 49 N -0.06 1.23 0.50 1.13 4.81 -1.24 0.74 114.58 121.69 2ava h GLU 49 Ca -0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2ava h GLU 49 Cb 0.06 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.16 2ava h GLU 49 CO 0.00 0.82 -0.24 1.49 -0.73 0.00 0.00 179.01 180.35 2ava h GLU 50 N 1.27 -0.64 0.36 1.92 4.57 -0.03 0.19 114.58 122.22 2ava h GLU 50 Ca 0.36 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2ava h GLU 50 Cb -0.11 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.60 2ava h GLU 50 CO -0.09 -0.39 -0.50 1.49 -1.18 0.00 0.00 179.01 178.34 2ava h GLU 51 N -1.14 -0.86 0.00 1.92 4.81 -0.47 -0.60 114.58 118.24 2ava h GLU 51 Ca -0.07 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ava h GLU 51 Cb 0.55 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2ava h GLU 51 CO 0.11 -0.57 0.00 1.19 -0.73 0.00 0.00 179.01 179.01 2ava n PHE 52 N -5.42 0.77 -3.62 0.92 3.72 0.25 -4.88 117.46 109.20 2ava n PHE 52 Ca -0.10 0.34 -0.22 0.00 -0.05 0.00 0.00 57.45 57.42 2ava n PHE 52 Cb 0.43 -1.05 0.06 0.00 -0.94 0.00 0.00 39.48 37.99 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 -0.52 -0.41 2.23 1.37 0.00 0.47 -4.98 105.19 103.35 2ava n GLY 53 Ca 0.01 0.16 -0.15 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 -4.48 0.00 -3.89 -0.61 -5.35 -0.08 -4.91 119.36 100.03 2ava n ILE 54 Ca -0.16 -1.26 -0.30 0.00 -0.27 0.00 0.00 62.75 60.76 2ava n ILE 54 Cb 0.62 -0.27 -0.12 0.00 -1.74 0.00 0.00 39.64 38.12 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 4.72 0.10 7.28 6.03 -1.26 -4.78 114.94 124.13 2ava s ASN 55 Ca 0.20 -3.44 0.01 0.00 -1.03 0.00 0.00 52.86 48.60 2ava s ASN 55 Cb -0.02 -1.67 -0.04 0.00 -3.03 0.00 0.00 41.25 36.49 2ava s ASN 55 CO 0.13 -0.17 0.25 -0.69 -2.03 0.00 0.00 177.10 174.59 2ava s VAL 56 N -0.89 5.35 0.17 3.54 1.01 -1.26 -5.04 120.40 123.28 2ava s VAL 56 Ca 0.21 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.80 2ava s VAL 56 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2ava s VAL 56 CO -0.09 0.03 -0.13 -0.62 0.00 0.00 0.00 175.10 174.29 2ava s ASP 57 N -2.81 4.06 0.26 3.32 2.15 -1.26 -5.02 116.67 117.36 2ava s ASP 57 Ca 0.35 -0.62 -0.02 0.00 0.43 0.00 0.00 52.55 52.69 2ava s ASP 57 Cb -0.12 -0.62 0.49 0.00 -0.30 0.00 0.00 42.92 42.37 2ava s ASP 57 CO 0.28 0.12 1.79 -0.33 -0.17 0.00 0.00 175.17 176.85 2ava h GLU 58 N 3.09 0.69 0.00 4.34 5.08 -2.00 0.27 114.58 126.06 2ava h GLU 58 Ca -0.47 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 2ava h GLU 58 Cb 1.20 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2ava h GLU 58 CO 0.52 0.46 -0.07 0.22 -1.00 0.00 0.00 179.01 179.13 2ava h ASP 59 N 0.71 0.00 0.36 1.42 3.58 -2.00 -0.43 116.42 120.06 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 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2ava h ASP 59 CO -0.31 0.07 -0.69 1.17 -2.88 0.00 0.00 179.24 176.60 2ava n LYS 60 N -3.93 0.03 -1.48 0.28 3.00 0.73 -4.10 118.16 112.69 2ava n LYS 60 Ca -0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.21 2ava n LYS 60 Cb 0.16 -1.51 0.10 0.00 0.00 0.00 0.00 35.03 33.78 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 -1.53 4.06 -0.02 3.14 0.00 0.06 -4.64 120.51 121.57 2ava n ALA 61 Ca 0.05 -3.39 -0.02 0.00 0.00 0.00 0.00 53.44 50.07 2ava n ALA 61 Cb 0.34 -0.41 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.77 2.14 -2.40 0.00 -0.00 -0.52 -4.76 117.38 111.06 2ava n GLN 62 Ca 0.28 0.01 -0.21 0.00 -0.00 0.00 0.00 57.00 57.07 2ava n GLN 62 Cb 0.86 -1.09 0.01 0.00 -0.00 0.00 0.00 30.24 30.02 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 -2.32 4.08 -4.72 2.61 2.03 -1.26 -5.06 116.55 111.91 2ava n ASP 63 Ca -0.07 -3.45 -0.39 0.00 0.52 0.00 0.00 54.79 51.40 2ava n ASP 63 Cb 0.60 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.52 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 -4.80 5.08 0.23 5.18 -1.09 -1.26 -5.07 121.20 119.47 2ava s ILE 64 Ca 0.44 1.29 -0.04 0.00 -2.23 0.00 0.00 60.65 60.12 2ava s ILE 64 Cb 0.40 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 37.37 2ava s ILE 64 CO -0.08 0.28 0.16 -1.20 -1.23 0.00 0.00 174.94 172.87 2ava n SER 65 N 3.69 -1.92 -3.65 3.58 7.64 -1.26 -4.88 113.62 116.82 2ava n SER 65 Ca -0.03 -0.32 -0.22 0.00 1.01 0.00 0.00 58.87 59.31 2ava n SER 65 Cb 0.51 -0.16 0.18 0.00 -1.01 0.00 0.00 64.21 63.73 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 -3.25 0.00 -0.27 0.44 5.66 -1.26 -4.08 114.28 111.51 2ava n THR 66 Ca 0.02 -0.08 0.31 0.00 -3.05 0.00 0.00 64.05 61.25 2ava n THR 66 Cb 0.10 -0.61 0.70 0.00 -1.55 0.00 0.00 70.33 68.97 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 -2.78 0.48 0.06 1.09 2.04 -1.64 -0.69 117.51 116.06 2ava h ILE 67 Ca -0.32 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2ava h ILE 67 Cb 0.96 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 2ava h ILE 67 CO 0.21 0.01 -0.35 1.56 0.00 0.00 0.00 178.15 179.58 2ava h GLN 68 N 0.07 -0.52 -0.03 2.37 1.08 -0.84 -0.15 115.11 117.08 2ava h GLN 68 Ca 0.52 0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.56 2ava h GLN 68 Cb 1.95 0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 29.50 2ava h GLN 68 CO -0.05 -0.35 -0.83 0.37 -0.95 0.00 0.00 178.83 177.01 2ava h GLN 69 N -0.54 0.36 -1.00 1.46 -0.00 -1.46 -3.07 115.11 110.85 2ava h GLN 69 Ca 0.04 -0.35 0.11 0.00 -0.00 0.00 0.00 58.65 58.46 2ava h GLN 69 Cb 0.60 0.09 -0.08 0.00 0.00 0.00 0.00 27.48 28.09 2ava h GLN 69 CO -0.25 1.01 0.63 0.00 0.00 0.00 0.00 178.83 180.23 2ava h ALA 70 N 0.88 1.48 -0.17 3.38 0.00 -0.81 -0.47 119.26 123.55 2ava h ALA 70 Ca -0.05 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 2ava h ALA 70 Cb 1.44 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ava h ALA 70 CO 0.14 0.28 -0.69 0.00 0.00 0.00 0.00 179.25 178.98 2ava h ALA 71 N 1.52 0.45 -0.22 0.00 0.00 -1.04 -2.88 119.26 117.09 2ava h ALA 71 Ca 0.48 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ava h ALA 71 Cb 0.41 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2ava h ALA 71 CO -0.24 0.70 0.12 0.22 0.00 0.00 0.00 179.25 180.05 2ava h ASP 72 N 0.51 0.28 -0.39 0.00 3.58 -1.21 -1.32 116.42 117.87 2ava h ASP 72 Ca -0.03 -0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.36 2ava h ASP 72 Cb 1.30 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.25 2ava h ASP 72 CO 0.14 0.28 0.22 0.58 -2.88 0.00 0.00 179.24 177.58 2ava h VAL 73 N 0.25 1.03 -0.94 2.25 2.07 -1.16 -2.42 116.25 117.33 2ava h VAL 73 Ca 0.08 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2ava h VAL 73 Cb 0.06 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2ava h VAL 73 CO -0.01 0.08 0.58 0.40 0.02 0.00 0.00 177.57 178.64 2ava h ILE 74 N 0.45 1.25 -0.74 4.57 2.04 -1.34 -2.48 117.51 121.26 2ava h ILE 74 Ca 0.16 -0.51 0.14 0.00 1.00 0.00 0.00 64.86 65.64 2ava h ILE 74 Cb 0.02 -0.09 -0.10 0.00 -0.74 0.00 0.00 36.82 35.91 2ava h ILE 74 CO -0.08 0.26 0.28 -0.33 0.00 0.00 0.00 178.15 178.28 2ava h GLU 75 N 1.28 0.40 -0.01 2.37 5.08 -0.73 0.13 114.58 123.11 2ava h GLU 75 Ca 0.34 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 2ava h GLU 75 Cb -0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2ava h GLU 75 CO -0.07 0.27 -0.41 0.78 -1.00 0.00 0.00 179.01 178.58 2ava h GLY 76 N 0.41 0.03 1.72 -3.84 0.00 -1.33 -2.39 103.07 97.67 2ava h GLY 76 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2ava h GLY 76 CO -0.41 0.02 -0.15 1.04 0.00 0.00 0.00 176.54 177.04 2ava n LEU 77 N -4.05 0.26 0.01 3.11 4.77 0.20 -3.19 117.00 118.10 2ava n LEU 77 Ca -0.02 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.46 2ava n LEU 77 Cb 0.44 -0.40 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 2ava n LEU 77 CO 0.40 0.00 0.28 0.18 -1.33 0.00 0.00 177.39 176.91 2ava n LEU 78 N -1.64 0.64 0.08 2.23 4.77 0.21 -1.39 117.00 121.90 2ava n LEU 78 Ca 0.06 -0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 2ava n LEU 78 Cb 0.36 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2ava n LEU 78 CO 0.30 0.14 0.16 -0.33 -1.33 0.00 0.00 177.39 176.32 2ava h GLU 79 N 0.00 0.25 0.00 3.23 5.08 -1.49 -3.41 114.58 118.25 2ava h GLU 79 Ca 0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 2ava h GLU 79 Cb 0.54 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2ava h GLU 79 CO 0.00 1.05 -1.08 0.36 -1.00 0.00 0.00 179.01 178.35 2ava n LYS 80 N -3.63 0.03 -4.16 2.33 -0.00 -1.26 -5.01 118.16 106.47 2ava n LYS 80 Ca -0.05 0.01 -0.34 0.00 -0.00 0.00 0.00 58.31 57.93 2ava n LYS 80 Cb 0.87 -0.63 -0.08 0.00 -0.00 0.00 0.00 35.03 35.20 2ava n LYS 80 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2ava n LYS 81 N -2.98 -0.81 0.00 -1.58 2.85 -0.49 -5.07 118.16 110.08 2ava n LYS 81 Ca -0.03 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2ava n LYS 81 Cb 0.52 -3.83 0.00 0.00 -0.65 0.00 0.00 35.03 31.07 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35