#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 3.82 0.30 0.00 -0.14 -1.26 -4.82 119.74 117.64 2ava s LYS 2 Ca 0.00 2.07 0.05 0.00 -1.36 0.00 0.00 55.97 56.73 2ava s LYS 2 Cb 0.00 -2.61 0.71 0.00 -1.68 0.00 0.00 37.83 34.25 2ava s LYS 2 CO 0.00 -0.59 1.79 0.87 -0.76 0.00 0.00 175.35 176.66 2ava h LYS 3 N 2.38 0.78 -0.89 1.68 1.57 -2.02 0.32 116.57 120.40 2ava h LYS 3 Ca -0.50 -0.05 0.16 0.00 -1.87 0.00 0.00 60.65 58.39 2ava h LYS 3 Cb 1.25 -0.18 -0.10 0.00 0.08 0.00 0.00 32.23 33.29 2ava h LYS 3 CO 0.61 0.52 0.48 1.05 -0.57 0.00 0.00 179.45 181.54 2ava h GLU 4 N 0.80 0.65 0.05 3.15 4.11 -2.00 0.98 114.58 122.33 2ava h GLU 4 Ca 0.57 -0.04 -0.26 0.00 0.07 0.00 0.00 59.36 59.69 2ava h GLU 4 Cb 0.83 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.96 2ava h GLU 4 CO -0.36 0.43 -1.05 1.79 0.07 0.00 0.00 179.01 179.88 2ava h THR 5 N 0.67 1.31 -0.94 -1.06 1.35 -1.34 -2.63 112.91 110.26 2ava h THR 5 Ca 0.49 -2.31 0.04 0.00 -0.55 0.00 0.00 66.41 64.08 2ava h THR 5 Cb 0.71 2.56 -0.06 0.00 -1.73 0.00 0.00 68.15 69.62 2ava h THR 5 CO -0.37 0.70 0.61 0.40 -0.25 0.00 0.00 175.52 176.62 2ava h ILE 6 N 0.26 1.14 -0.08 6.82 2.04 -0.27 -0.74 117.51 126.68 2ava h ILE 6 Ca -0.15 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.13 2ava h ILE 6 Cb 1.73 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2ava h ILE 6 CO 0.20 0.21 -0.71 0.44 0.00 0.00 0.00 178.15 178.30 2ava h ASP 7 N 1.17 0.46 0.73 1.72 5.19 -0.91 -2.68 116.42 122.11 2ava h ASP 7 Ca 0.38 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 2ava h ASP 7 Cb 0.03 -0.14 0.01 0.00 0.18 0.00 0.00 39.33 39.42 2ava h ASP 7 CO -0.13 1.03 -0.35 0.11 -3.12 0.00 0.00 179.24 176.77 2ava h LYS 8 N 0.27 -0.95 -0.43 3.56 1.79 -0.98 -2.47 116.57 117.36 2ava h LYS 8 Ca -0.03 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.58 2ava h LYS 8 Cb 1.28 0.22 -0.06 0.00 -1.58 0.00 0.00 32.23 32.08 2ava h LYS 8 CO 0.12 -0.61 0.04 0.28 -1.08 0.00 0.00 179.45 178.20 2ava h VAL 9 N -1.19 0.72 -0.25 0.50 2.07 -1.26 0.79 116.25 117.64 2ava h VAL 9 Ca -0.10 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2ava h VAL 9 Cb 0.78 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2ava h VAL 9 CO 0.17 0.03 0.27 0.77 0.02 0.00 0.00 177.57 178.83 2ava h SER 10 N 0.16 0.00 -0.07 0.57 4.64 -1.48 -1.00 113.55 116.37 2ava h SER 10 Ca 0.21 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.41 2ava h SER 10 Cb 0.29 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2ava h SER 10 CO -0.31 0.00 -0.42 -0.78 -0.87 0.00 0.00 176.83 174.44 2ava h ASP 11 N 0.00 0.49 -0.86 4.97 3.58 -0.36 -3.00 116.42 121.23 2ava h ASP 11 Ca 0.12 -0.67 0.17 0.00 0.42 0.00 0.00 57.03 57.07 2ava h ASP 11 Cb 0.66 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.50 2ava h ASP 11 CO -0.00 1.08 0.57 0.40 -2.88 0.00 0.00 179.24 178.41 2ava h ILE 12 N -0.07 0.75 -0.22 2.25 5.03 -0.82 0.11 117.51 124.53 2ava h ILE 12 Ca -0.03 -0.17 -0.19 0.00 -0.12 0.00 0.00 64.86 64.34 2ava h ILE 12 Cb 1.09 0.21 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 2ava h ILE 12 CO 0.09 0.09 -0.63 0.58 -0.68 0.00 0.00 178.15 177.60 2ava h VAL 13 N 0.49 1.29 -0.62 1.67 2.07 -1.53 -3.15 116.25 116.48 2ava h VAL 13 Ca 0.44 -1.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2ava h VAL 13 Cb 0.96 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 2ava h VAL 13 CO -0.17 0.59 0.17 0.11 0.02 0.00 0.00 177.57 178.29 2ava h LYS 14 N 0.57 0.97 -0.05 1.57 1.57 -0.89 -2.37 116.57 117.94 2ava h LYS 14 Ca -0.01 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.57 2ava h LYS 14 Cb 1.23 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 2ava h LYS 14 CO 0.13 0.87 0.04 0.93 -0.57 0.00 0.00 179.45 180.85 2ava h GLU 15 N 0.89 0.00 -0.95 3.15 4.39 -1.21 0.36 114.58 121.21 2ava h GLU 15 Ca 0.20 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.06 2ava h GLU 15 Cb 0.32 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.87 2ava h GLU 15 CO -0.00 0.00 0.55 0.87 -1.16 0.00 0.00 179.01 179.27 2ava h LYS 16 N 0.00 0.71 0.00 2.33 1.79 -1.38 -2.64 116.57 117.38 2ava h LYS 16 Ca 0.02 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2ava h LYS 16 Cb 0.10 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 2ava h LYS 16 CO -0.00 0.47 -0.40 1.47 -1.08 0.00 0.00 179.45 179.92 2ava n LEU 17 N -4.79 1.66 -3.01 2.94 -0.00 -0.79 -5.04 117.00 107.97 2ava n LEU 17 Ca 0.21 -2.61 -0.13 0.00 -0.00 0.00 0.00 56.01 53.48 2ava n LEU 17 Cb 0.50 -0.28 0.01 0.00 -0.00 0.00 0.00 43.42 43.65 2ava n LEU 17 CO 0.22 0.73 0.02 0.00 -0.00 0.00 0.00 177.39 178.35 2ava n ALA 18 N -0.72 -2.83 -4.30 1.47 0.00 0.88 -5.05 120.51 109.96 2ava n ALA 18 Ca 0.11 0.88 -0.20 0.00 0.00 0.00 0.00 53.44 54.23 2ava n ALA 18 Cb 0.74 -3.22 -0.05 0.00 0.00 0.00 0.00 19.45 16.92 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 -0.49 0.00 0.00 0.00 4.32 0.86 -4.87 117.00 116.81 2ava n LEU 19 Ca 0.06 -2.20 0.00 0.00 -0.02 0.00 0.00 56.01 53.85 2ava n LEU 19 Cb 0.51 0.56 0.00 0.00 -1.62 0.00 0.00 43.42 42.87 2ava n LEU 19 CO 0.50 -0.33 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2ava n GLY 20 N 0.36 0.76 0.03 -0.72 0.00 -1.26 -4.64 105.19 99.71 2ava n GLY 20 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.84 0.20 -1.15 4.61 0.00 -1.26 -4.69 120.51 116.38 2ava n ALA 21 Ca 0.00 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.23 2ava n ALA 21 Cb 0.00 0.01 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 -3.13 2.84 -4.48 0.00 8.00 -1.26 -5.01 116.55 113.51 2ava n ASP 22 Ca -0.03 -3.24 -0.30 0.00 0.71 0.00 0.00 54.79 51.93 2ava n ASP 22 Cb 0.12 -0.51 -0.12 0.00 -0.02 0.00 0.00 41.12 40.59 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2ava s VAL 23 N -2.95 2.83 0.16 2.53 1.01 -1.26 -5.13 120.40 117.59 2ava s VAL 23 Ca 0.38 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 2ava s VAL 23 Cb 0.33 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 2ava s VAL 23 CO 0.04 0.13 0.59 -0.69 0.00 0.00 0.00 175.10 175.17 2ava s VAL 24 N -1.11 4.78 -0.12 2.92 1.01 -1.26 -4.64 120.40 121.97 2ava s VAL 24 Ca 0.17 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.08 2ava s VAL 24 Cb -0.11 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2ava s VAL 24 CO 0.09 0.24 -0.02 0.54 0.00 0.00 0.00 175.10 175.95 2ava s VAL 25 N -1.47 4.04 0.01 2.92 0.11 -1.26 -5.04 120.40 119.71 2ava s VAL 25 Ca 0.39 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2ava s VAL 25 Cb -0.16 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 31.95 2ava s VAL 25 CO 0.20 0.54 -0.02 0.42 -3.33 0.00 0.00 175.10 172.90 2ava s THR 26 N -0.17 0.10 -0.49 5.04 -4.23 -1.26 -5.03 115.64 109.60 2ava s THR 26 Ca 0.04 -0.63 0.26 0.00 -1.18 0.00 0.00 61.69 60.18 2ava s THR 26 Cb -0.13 -0.20 0.31 0.00 1.34 0.00 0.00 72.50 73.82 2ava s THR 26 CO 0.02 -0.33 1.75 0.00 -0.54 0.00 0.00 174.62 175.52 2ava h ALA 27 N 5.13 1.00 0.00 3.99 0.00 -1.95 -2.97 119.26 124.46 2ava h ALA 27 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2ava h ALA 27 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ava h ALA 27 CO 0.44 0.00 -0.65 0.22 0.00 0.00 0.00 179.25 179.26 2ava h ASP 28 N 0.00 0.00 -1.01 0.00 3.58 -1.95 0.16 116.42 117.20 2ava h ASP 28 Ca 0.00 -0.17 -0.28 0.00 0.42 0.00 0.00 57.03 57.00 2ava h ASP 28 Cb 0.70 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 2ava h ASP 28 CO 0.00 0.09 0.80 -0.44 -2.88 0.00 0.00 179.24 176.81 2ava s SER 29 N -4.47 4.73 0.70 2.28 0.01 -1.12 -4.72 113.70 111.09 2ava s SER 29 Ca 0.05 -0.02 -0.16 0.00 1.31 0.00 0.00 55.95 57.13 2ava s SER 29 Cb 0.12 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2ava s SER 29 CO 0.73 -3.00 0.60 -0.62 0.41 0.00 0.00 173.24 171.35 2ava n GLU 30 N 8.94 0.38 -0.02 12.44 1.02 -1.26 -4.10 120.64 138.04 2ava n GLU 30 Ca 0.37 0.17 -0.02 0.00 -0.02 0.00 0.00 57.16 57.67 2ava n GLU 30 Cb 0.48 -1.87 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.27 0.00 -2.52 -0.32 -1.74 -1.26 -4.92 117.46 104.42 2ava n PHE 31 Ca 0.11 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.59 2ava n PHE 31 Cb 0.49 -0.16 -0.04 0.00 1.52 0.00 0.00 39.48 41.29 2ava n PHE 31 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 2ava s SER 32 N -3.38 7.30 -0.15 5.98 1.04 -1.26 -5.04 113.70 118.19 2ava s SER 32 Ca -0.02 2.14 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 2ava s SER 32 Cb 0.01 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.58 2ava s SER 32 CO 0.14 -0.16 0.10 -0.54 0.98 0.00 0.00 173.24 173.76 2ava s LYS 33 N -0.80 0.05 -0.33 4.02 1.02 -1.26 -5.10 119.74 117.34 2ava s LYS 33 Ca 0.47 0.03 -0.17 0.00 0.02 0.00 0.00 55.97 56.32 2ava s LYS 33 Cb -0.30 -1.54 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 2ava s LYS 33 CO 0.37 -0.61 0.45 -0.51 -0.92 0.00 0.00 175.35 174.12 2ava s LEU 34 N 2.16 4.32 0.00 3.17 2.01 -1.26 -4.15 118.68 124.93 2ava s LEU 34 Ca 0.03 -0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.15 2ava s LEU 34 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.56 2ava s LEU 34 CO -0.08 -0.38 0.00 0.61 1.01 0.00 0.00 176.35 177.51 2ava n GLY 35 N 4.80 0.93 3.88 -3.19 0.00 -1.26 -5.11 105.19 105.26 2ava n GLY 35 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 2ava n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava s ALA 36 N -0.57 3.89 -0.40 4.61 0.00 -1.26 -5.00 121.76 123.03 2ava s ALA 36 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2ava s ALA 36 Cb 0.00 -1.98 0.53 0.00 0.00 0.00 0.00 23.12 21.67 2ava s ALA 36 CO 0.00 0.65 1.64 -3.47 0.00 0.00 0.00 175.76 174.58 2ava n ASP 37 N 1.57 3.99 -0.08 0.00 2.03 -1.26 -4.51 116.55 118.28 2ava n ASP 37 Ca -0.16 -3.75 -0.18 0.00 0.52 0.00 0.00 54.79 51.23 2ava n ASP 37 Cb 0.54 -0.71 -0.13 0.00 -0.72 0.00 0.00 41.12 40.10 2ava n ASP 37 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2ava n SER 38 N -1.04 1.76 -4.58 1.67 3.41 -1.26 -4.93 113.62 108.64 2ava n SER 38 Ca 0.46 -0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.73 2ava n SER 38 Cb 1.12 -0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 64.58 2ava n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ava s LEU 39 N -6.54 3.29 -0.17 1.04 1.43 -1.26 -5.11 118.68 111.37 2ava s LEU 39 Ca -0.27 -0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2ava s LEU 39 Cb 0.08 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2ava s LEU 39 CO 0.68 0.31 -0.06 -1.81 0.23 0.00 0.00 176.35 175.70 2ava s ASP 40 N -0.48 4.42 0.21 2.29 1.01 -1.26 -4.99 116.67 117.87 2ava s ASP 40 Ca 0.08 -0.27 -0.08 0.00 0.71 0.00 0.00 52.55 52.99 2ava s ASP 40 Cb -0.12 -1.72 0.15 0.00 1.01 0.00 0.00 42.92 42.24 2ava s ASP 40 CO 0.02 0.11 1.75 0.74 0.21 0.00 0.00 175.17 178.00 2ava h THR 41 N 5.40 1.26 -0.93 -1.27 2.02 -1.98 -2.64 112.91 114.77 2ava h THR 41 Ca -0.33 -0.91 0.17 0.00 0.77 0.00 0.00 66.41 66.12 2ava h THR 41 Cb 1.19 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.95 2ava h THR 41 CO 0.60 0.36 0.60 0.58 0.37 0.00 0.00 175.52 178.02 2ava h VAL 42 N 1.11 0.77 0.00 3.16 2.07 -1.95 0.29 116.25 121.71 2ava h VAL 42 Ca 0.24 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2ava h VAL 42 Cb 0.30 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2ava h VAL 42 CO -0.01 0.12 -0.53 -0.08 0.02 0.00 0.00 177.57 177.09 2ava h GLU 43 N 0.66 0.00 0.01 1.57 4.81 -1.90 -2.55 114.58 117.17 2ava h GLU 43 Ca 0.49 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.72 2ava h GLU 43 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 2ava h GLU 43 CO -0.25 0.53 -0.00 0.82 -0.73 0.00 0.00 179.01 179.38 2ava h ILE 44 N 0.00 1.27 -0.82 2.32 1.08 -0.51 -2.97 117.51 117.88 2ava h ILE 44 Ca -0.01 -1.91 0.15 0.00 -0.39 0.00 0.00 64.86 62.70 2ava h ILE 44 Cb 0.96 2.38 -0.06 0.00 -3.07 0.00 0.00 36.82 37.03 2ava h ILE 44 CO 0.07 0.42 0.54 1.62 -0.69 0.00 0.00 178.15 180.11 2ava h VAL 45 N -0.98 0.82 -0.26 1.67 3.04 -0.66 -1.12 116.25 118.76 2ava h VAL 45 Ca -0.00 -0.19 -0.09 0.00 -1.01 0.00 0.00 66.70 65.41 2ava h VAL 45 Cb 0.70 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 2ava h VAL 45 CO 0.00 0.10 -0.18 0.24 -1.01 0.00 0.00 177.57 176.72 2ava h MET 46 N 0.55 0.57 0.29 4.17 2.86 -1.56 -1.51 114.93 120.32 2ava h MET 46 Ca 0.41 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2ava h MET 46 Cb 0.78 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 2ava h MET 46 CO -0.16 0.86 -0.28 -0.91 1.06 0.00 0.00 176.91 177.48 2ava h ASN 47 N 0.29 -0.74 0.26 1.22 4.21 -1.06 0.25 115.58 120.03 2ava h ASN 47 Ca 0.05 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 2ava h ASN 47 Cb 0.71 0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 2ava h ASN 47 CO 0.05 -0.40 -0.15 -0.07 -1.29 0.00 0.00 177.43 175.56 2ava h LEU 48 N -0.59 -0.38 -2.01 1.61 3.38 -1.43 0.21 115.31 116.10 2ava h LEU 48 Ca -0.01 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.06 2ava h LEU 48 Cb 0.54 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ava h LEU 48 CO -0.05 -0.25 0.21 -0.08 0.09 0.00 0.00 178.44 178.36 2ava h GLU 49 N -0.40 0.00 0.10 1.13 4.81 -1.16 0.14 114.58 119.20 2ava h GLU 49 Ca -0.03 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2ava h GLU 49 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2ava h GLU 49 CO 0.04 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 179.76 2ava h GLU 50 N 0.00 -0.13 0.02 1.92 4.81 0.21 -0.51 114.58 120.89 2ava h GLU 50 Ca 0.14 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.41 2ava h GLU 50 Cb 0.56 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 2ava h GLU 50 CO -0.00 -0.09 -0.27 1.49 -0.73 0.00 0.00 179.01 179.41 2ava h GLU 51 N -0.89 -0.41 0.00 1.92 4.57 -0.45 -1.25 114.58 118.07 2ava h GLU 51 Ca -0.01 0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2ava h GLU 51 Cb 0.11 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2ava h GLU 51 CO 0.02 -0.27 -0.20 0.74 -1.18 0.00 0.00 179.01 178.12 2ava h PHE 52 N -0.42 0.00 -4.22 0.92 0.04 -0.90 -3.47 116.94 108.89 2ava h PHE 52 Ca 0.06 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.56 2ava h PHE 52 Cb 0.50 0.00 0.09 0.00 2.20 0.00 0.00 35.95 38.74 2ava h PHE 52 CO -0.29 0.20 -0.45 0.41 -0.60 0.00 0.00 178.31 177.57 2ava n GLY 53 N -0.20 -0.05 2.68 -1.45 0.00 -0.29 -5.02 105.19 100.86 2ava n GLY 53 Ca -0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.19 0.00 -3.82 -0.61 -5.35 -0.68 -4.88 119.36 99.83 2ava n ILE 54 Ca 0.00 -1.39 -0.29 0.00 -0.27 0.00 0.00 62.75 60.81 2ava n ILE 54 Cb 0.54 -0.51 -0.12 0.00 -1.74 0.00 0.00 39.64 37.80 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 -3.41 4.15 0.09 7.28 6.03 -1.26 -4.81 114.94 123.01 2ava s ASN 55 Ca 0.36 -3.40 0.04 0.00 -1.03 0.00 0.00 52.86 48.83 2ava s ASN 55 Cb -0.03 -1.41 -0.04 0.00 -3.03 0.00 0.00 41.25 36.74 2ava s ASN 55 CO 0.23 -0.15 0.03 0.54 -2.03 0.00 0.00 177.10 175.71 2ava s VAL 56 N -0.77 4.17 0.28 3.54 0.11 -1.26 -5.07 120.40 121.39 2ava s VAL 56 Ca 0.23 -0.95 0.07 0.00 -2.93 0.00 0.00 61.98 58.39 2ava s VAL 56 Cb -0.11 -3.01 -0.03 0.00 -1.53 0.00 0.00 36.38 31.70 2ava s VAL 56 CO -0.11 0.10 0.28 -0.62 -3.33 0.00 0.00 175.10 171.41 2ava s ASP 57 N -2.40 5.67 0.30 3.54 -1.08 -1.26 -5.01 116.67 116.43 2ava s ASP 57 Ca 0.27 -0.24 -0.01 0.00 -0.52 0.00 0.00 52.55 52.06 2ava s ASP 57 Cb -0.12 -1.38 0.49 0.00 -1.46 0.00 0.00 42.92 40.45 2ava s ASP 57 CO 0.20 -0.15 1.95 1.05 0.52 0.00 0.00 175.17 178.73 2ava h GLU 58 N 1.32 1.03 0.00 4.34 4.11 -2.00 -0.40 114.58 122.97 2ava h GLU 58 Ca -0.48 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 58.88 2ava h GLU 58 Cb 1.24 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2ava h GLU 58 CO 0.59 0.68 -0.05 0.22 0.07 0.00 0.00 179.01 180.53 2ava h ASP 59 N 1.06 0.00 0.30 3.06 3.58 -2.00 -0.27 116.42 122.15 2ava h ASP 59 Ca 0.34 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.79 2ava h ASP 59 Cb 0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 2ava h ASP 59 CO -0.10 0.05 -0.74 1.17 -2.88 0.00 0.00 179.24 176.75 2ava n LYS 60 N -3.95 0.02 -1.64 0.28 3.00 -0.27 -4.15 118.16 111.45 2ava n LYS 60 Ca -0.03 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.18 2ava n LYS 60 Cb 0.14 -1.51 0.08 0.00 0.00 0.00 0.00 35.03 33.74 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 4.16 -0.02 3.14 0.00 -0.23 -4.67 120.51 121.36 2ava n ALA 61 Ca 0.05 -3.43 -0.02 0.00 0.00 0.00 0.00 53.44 50.03 2ava n ALA 61 Cb 0.34 -0.42 -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 -0.74 0.29 -2.34 0.00 10.64 -0.49 -4.78 117.38 119.97 2ava n GLN 62 Ca 0.30 0.02 -0.27 0.00 -1.83 0.00 0.00 57.00 55.22 2ava n GLN 62 Cb 0.88 -1.07 0.01 0.00 -0.86 0.00 0.00 30.24 29.19 2ava n GLN 62 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2ava n ASP 63 N -2.58 4.94 -4.69 2.61 -0.08 -1.26 -5.04 116.55 110.46 2ava n ASP 63 Ca -0.06 -3.73 -0.40 0.00 -1.51 0.00 0.00 54.79 49.08 2ava n ASP 63 Cb 0.57 -0.47 -0.05 0.00 2.34 0.00 0.00 41.12 43.51 2ava n ASP 63 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ava s ILE 64 N -5.30 5.04 0.19 5.18 -1.09 -1.26 -5.06 121.20 118.90 2ava s ILE 64 Ca 0.49 1.29 -0.03 0.00 -2.23 0.00 0.00 60.65 60.16 2ava s ILE 64 Cb 0.41 -3.98 0.05 0.00 -1.58 0.00 0.00 42.46 37.36 2ava s ILE 64 CO -0.15 0.18 0.12 -1.20 -1.23 0.00 0.00 174.94 172.66 2ava n SER 65 N 4.45 -2.24 -3.59 3.58 7.64 -1.26 -4.72 113.62 117.48 2ava n SER 65 Ca -0.01 -0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.51 2ava n SER 65 Cb 0.50 -0.13 0.19 0.00 -1.01 0.00 0.00 64.21 63.76 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 -3.35 0.00 -0.27 0.44 5.66 -1.26 -4.12 114.28 111.38 2ava n THR 66 Ca 0.02 -0.06 0.29 0.00 -3.05 0.00 0.00 64.05 61.25 2ava n THR 66 Cb 0.08 -0.63 0.67 0.00 -1.55 0.00 0.00 70.33 68.90 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 -2.88 0.49 0.07 1.09 2.04 -1.64 -0.72 117.51 115.96 2ava h ILE 67 Ca -0.31 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.53 2ava h ILE 67 Cb 0.96 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2ava h ILE 67 CO 0.20 0.02 -0.38 1.56 0.00 0.00 0.00 178.15 179.55 2ava h GLN 68 N 0.12 -0.56 -0.06 2.37 1.08 -0.98 0.22 115.11 117.29 2ava h GLN 68 Ca 0.52 0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 57.59 2ava h GLN 68 Cb 1.85 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 29.40 2ava h GLN 68 CO -0.08 -0.38 -0.72 0.37 -0.95 0.00 0.00 178.83 177.07 2ava h GLN 69 N -0.58 0.31 0.06 1.46 -0.00 -1.48 -3.16 115.11 111.71 2ava h GLN 69 Ca 0.04 -0.25 0.02 0.00 -0.00 0.00 0.00 58.65 58.46 2ava h GLN 69 Cb 0.63 0.05 -0.03 0.00 0.00 0.00 0.00 27.48 28.13 2ava h GLN 69 CO -0.25 0.90 -0.22 0.00 0.00 0.00 0.00 178.83 179.26 2ava h ALA 70 N 1.03 -0.33 -0.62 3.38 0.00 -0.73 -1.08 119.26 120.91 2ava h ALA 70 Ca -0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2ava h ALA 70 Cb 1.28 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2ava h ALA 70 CO 0.12 -0.74 0.34 0.00 0.00 0.00 0.00 179.25 178.97 2ava h ALA 71 N 0.44 0.82 -0.87 0.00 0.00 -1.02 -1.61 119.26 117.02 2ava h ALA 71 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2ava h ALA 71 Cb 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2ava h ALA 71 CO -0.16 0.02 0.57 0.22 0.00 0.00 0.00 179.25 179.90 2ava h ASP 72 N 0.65 0.88 0.57 0.00 3.58 -1.41 -1.63 116.42 119.05 2ava h ASP 72 Ca 0.27 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 2ava h ASP 72 Cb 0.15 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.02 2ava h ASP 72 CO -0.17 0.57 -0.27 0.58 -2.88 0.00 0.00 179.24 177.07 2ava h VAL 73 N 1.00 0.37 -0.86 2.25 2.07 -0.26 -2.96 116.25 117.86 2ava h VAL 73 Ca 0.37 -0.26 0.16 0.00 0.82 0.00 0.00 66.70 67.79 2ava h VAL 73 Cb 0.16 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 2ava h VAL 73 CO -0.13 0.03 0.56 0.40 0.02 0.00 0.00 177.57 178.46 2ava h ILE 74 N -0.94 0.78 0.11 4.57 5.03 -1.19 -2.23 117.51 123.64 2ava h ILE 74 Ca -0.08 -0.19 0.02 0.00 -0.12 0.00 0.00 64.86 64.49 2ava h ILE 74 Cb 0.64 0.18 -0.05 0.00 -3.03 0.00 0.00 36.82 34.56 2ava h ILE 74 CO 0.13 0.10 -0.42 -0.33 -0.68 0.00 0.00 178.15 176.95 2ava h GLU 75 N 0.56 -0.63 0.00 2.37 5.08 -1.13 0.89 114.58 121.71 2ava h GLU 75 Ca 0.44 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 2ava h GLU 75 Cb 0.87 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 2ava h GLU 75 CO -0.18 -0.42 -0.00 0.78 -1.00 0.00 0.00 179.01 178.19 2ava h GLY 76 N -0.65 0.00 1.17 -3.84 0.00 -1.33 0.06 103.07 98.48 2ava h GLY 76 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2ava h GLY 76 CO -0.25 0.00 -0.54 1.04 0.00 0.00 0.00 176.54 176.79 2ava n LEU 77 N -3.10 0.59 -0.15 3.11 4.77 -0.10 -3.59 117.00 118.53 2ava n LEU 77 Ca -0.02 0.18 0.12 0.00 -0.03 0.00 0.00 56.01 56.25 2ava n LEU 77 Cb 0.11 -0.23 0.18 0.00 -2.33 0.00 0.00 43.42 41.15 2ava n LEU 77 CO 0.21 0.01 0.39 0.18 -1.33 0.00 0.00 177.39 176.85 2ava n LEU 78 N -1.87 0.98 -0.08 2.23 4.77 0.12 -3.37 117.00 119.78 2ava n LEU 78 Ca 0.04 -0.29 -0.15 0.00 -0.03 0.00 0.00 56.01 55.58 2ava n LEU 78 Cb 0.40 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2ava n LEU 78 CO 0.35 0.21 0.43 -0.33 -1.33 0.00 0.00 177.39 176.72 2ava h GLU 79 N 0.72 0.85 -0.20 3.23 5.08 -1.58 -3.25 114.58 119.43 2ava h GLU 79 Ca 0.00 -0.55 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 2ava h GLU 79 Cb 0.54 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 2ava h GLU 79 CO 0.00 1.18 -0.07 0.36 -1.00 0.00 0.00 179.01 179.48 2ava n LYS 80 N -4.04 2.09 -0.39 2.33 -0.00 -1.26 -4.75 118.16 112.15 2ava n LYS 80 Ca -0.05 -2.92 0.00 0.00 -0.00 0.00 0.00 58.31 55.34 2ava n LYS 80 Cb 0.62 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.92 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 -0.97 0.93 0.00 -1.58 -0.00 -1.22 -5.01 118.16 110.32 2ava n LYS 81 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 2ava n LYS 81 Cb 0.85 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.85 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40