#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 2.90 0.37 0.00 -0.14 -1.26 -4.79 119.74 116.83 2ava s LYS 2 Ca 0.00 1.95 0.10 0.00 -1.36 0.00 0.00 55.97 56.66 2ava s LYS 2 Cb 0.00 -1.97 0.85 0.00 -1.68 0.00 0.00 37.83 35.03 2ava s LYS 2 CO 0.00 -1.29 1.90 0.87 -0.76 0.00 0.00 175.35 176.07 2ava h LYS 3 N 0.92 0.63 -0.88 1.68 1.57 -2.02 -0.73 116.57 117.74 2ava h LYS 3 Ca -0.51 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.35 2ava h LYS 3 Cb 1.31 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.39 2ava h LYS 3 CO 0.55 0.42 0.51 1.05 -0.57 0.00 0.00 179.45 181.40 2ava h GLU 4 N 0.65 0.78 0.05 3.15 -0.00 -2.00 0.84 114.58 118.05 2ava h GLU 4 Ca 0.40 -0.05 -0.22 0.00 -0.00 0.00 0.00 59.36 59.49 2ava h GLU 4 Cb 0.64 -0.17 0.02 0.00 -0.00 0.00 0.00 28.75 29.24 2ava h GLU 4 CO -0.16 0.51 -0.91 1.79 -0.00 0.00 0.00 179.01 180.25 2ava h THR 5 N 0.80 1.36 -0.93 -1.06 1.35 -1.53 -2.77 112.91 110.13 2ava h THR 5 Ca 0.44 -2.28 0.05 0.00 -0.55 0.00 0.00 66.41 64.08 2ava h THR 5 Cb 0.48 2.65 -0.06 0.00 -1.73 0.00 0.00 68.15 69.49 2ava h THR 5 CO -0.28 0.68 0.60 0.40 -0.25 0.00 0.00 175.52 176.66 2ava h ILE 6 N 0.08 1.11 -0.21 6.82 2.04 -0.71 -0.36 117.51 126.29 2ava h ILE 6 Ca -0.13 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.20 2ava h ILE 6 Cb 1.61 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 2ava h ILE 6 CO 0.18 0.20 -0.51 0.44 0.00 0.00 0.00 178.15 178.46 2ava h ASP 7 N 1.12 0.63 0.50 1.72 5.19 -0.92 -2.73 116.42 121.92 2ava h ASP 7 Ca 0.39 -0.32 -0.02 0.00 -0.62 0.00 0.00 57.03 56.46 2ava h ASP 7 Cb 0.09 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.43 2ava h ASP 7 CO -0.15 1.02 -0.24 0.11 -3.12 0.00 0.00 179.24 176.86 2ava h LYS 8 N 0.45 -0.65 -0.25 3.56 1.79 -1.05 -2.62 116.57 117.80 2ava h LYS 8 Ca 0.02 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.60 2ava h LYS 8 Cb 1.04 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 31.77 2ava h LYS 8 CO 0.10 -0.35 -0.24 0.28 -1.08 0.00 0.00 179.45 178.16 2ava h VAL 9 N -0.92 0.40 -0.47 0.50 2.07 -1.16 0.15 116.25 116.81 2ava h VAL 9 Ca -0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.59 2ava h VAL 9 Cb 0.60 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2ava h VAL 9 CO 0.11 0.00 0.42 0.77 0.02 0.00 0.00 177.57 178.89 2ava h SER 10 N -0.24 0.00 -0.09 0.57 4.64 -1.52 -0.63 113.55 116.28 2ava h SER 10 Ca 0.14 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.39 2ava h SER 10 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2ava h SER 10 CO -0.39 0.00 -0.20 -0.78 -0.87 0.00 0.00 176.83 174.59 2ava h ASP 11 N 0.00 0.33 -0.94 4.97 3.58 -0.33 -2.94 116.42 121.09 2ava h ASP 11 Ca 0.22 -0.57 0.22 0.00 0.42 0.00 0.00 57.03 57.31 2ava h ASP 11 Cb 1.05 -0.09 -0.07 0.00 1.72 0.00 0.00 39.33 41.93 2ava h ASP 11 CO -0.00 0.84 0.62 0.40 -2.88 0.00 0.00 179.24 178.22 2ava h ILE 12 N -0.17 0.65 -0.11 2.25 5.03 -0.52 0.18 117.51 124.81 2ava h ILE 12 Ca 0.00 -0.14 -0.19 0.00 -0.12 0.00 0.00 64.86 64.41 2ava h ILE 12 Cb 0.79 0.20 -0.00 0.00 -3.03 0.00 0.00 36.82 34.78 2ava h ILE 12 CO 0.04 0.07 -0.71 0.58 -0.68 0.00 0.00 178.15 177.46 2ava h VAL 13 N 0.41 1.35 -0.40 1.67 2.07 -1.49 -3.20 116.25 116.65 2ava h VAL 13 Ca 0.50 -2.04 -0.07 0.00 0.82 0.00 0.00 66.70 65.91 2ava h VAL 13 Cb 1.24 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2ava h VAL 13 CO -0.20 0.62 -0.01 0.11 0.02 0.00 0.00 177.57 178.12 2ava h LYS 14 N 0.36 0.72 -0.09 1.57 1.57 -0.53 -2.60 116.57 117.56 2ava h LYS 14 Ca -0.03 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2ava h LYS 14 Cb 1.29 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 2ava h LYS 14 CO 0.13 0.81 0.11 0.93 -0.57 0.00 0.00 179.45 180.86 2ava h GLU 15 N 0.55 0.00 -0.60 3.15 4.39 -1.21 0.34 114.58 121.20 2ava h GLU 15 Ca 0.11 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.89 2ava h GLU 15 Cb 0.49 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.08 2ava h GLU 15 CO 0.02 0.00 0.26 0.87 -1.16 0.00 0.00 179.01 179.00 2ava h LYS 16 N 0.00 0.46 0.00 2.33 1.79 -1.46 -2.95 116.57 116.74 2ava h LYS 16 Ca 0.04 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.48 2ava h LYS 16 Cb 0.27 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 2ava h LYS 16 CO -0.00 0.31 -0.24 1.47 -1.08 0.00 0.00 179.45 179.91 2ava n LEU 17 N -4.93 2.20 -3.05 2.94 -0.00 -0.75 -5.02 117.00 108.38 2ava n LEU 17 Ca 0.08 -3.11 -0.09 0.00 -0.00 0.00 0.00 56.01 52.89 2ava n LEU 17 Cb 0.23 -0.40 0.01 0.00 -0.00 0.00 0.00 43.42 43.25 2ava n LEU 17 CO 0.25 0.87 0.11 0.00 -0.00 0.00 0.00 177.39 178.62 2ava n ALA 18 N -1.14 -2.75 -4.36 1.47 0.00 0.84 -5.05 120.51 109.53 2ava n ALA 18 Ca 0.15 0.58 -0.19 0.00 0.00 0.00 0.00 53.44 53.99 2ava n ALA 18 Cb 0.68 -2.62 -0.04 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.98 0.00 0.00 0.00 4.32 0.70 -4.86 117.00 116.18 2ava n LEU 19 Ca 0.03 -1.87 0.00 0.00 -0.02 0.00 0.00 56.01 54.14 2ava n LEU 19 Cb 0.51 0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.61 2ava n LEU 19 CO 0.52 -0.27 0.00 0.61 -1.22 0.00 0.00 177.39 177.03 2ava n GLY 20 N 1.20 0.85 0.00 -0.72 0.00 -1.26 -4.65 105.19 100.61 2ava n GLY 20 Ca -0.10 0.00 0.00 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 -1.85 0.00 -1.58 4.61 0.00 -1.26 -4.73 120.51 115.70 2ava n ALA 21 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.28 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 -0.25 0.00 0.00 0.00 177.50 177.25 2ava n ASP 22 N -2.19 2.36 -4.40 0.00 9.92 -1.26 -5.02 116.55 115.97 2ava n ASP 22 Ca 0.00 -3.85 -0.29 0.00 -0.53 0.00 0.00 54.79 50.12 2ava n ASP 22 Cb 0.00 -0.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.78 2ava n ASP 22 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ava s VAL 23 N -3.39 2.35 -0.09 2.53 1.01 -1.26 -5.12 120.40 116.43 2ava s VAL 23 Ca 0.42 -1.68 -0.21 0.00 0.00 0.00 0.00 61.98 60.52 2ava s VAL 23 Cb 0.39 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2ava s VAL 23 CO -0.03 0.12 0.58 -0.69 0.00 0.00 0.00 175.10 175.07 2ava s VAL 24 N -1.05 5.11 -0.00 2.92 1.01 -1.26 -4.73 120.40 122.41 2ava s VAL 24 Ca 0.14 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 2ava s VAL 24 Cb -0.10 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 2ava s VAL 24 CO 0.06 0.30 0.39 0.54 0.00 0.00 0.00 175.10 176.39 2ava s VAL 25 N 0.65 5.06 -0.02 2.92 0.11 -1.26 -5.09 120.40 122.78 2ava s VAL 25 Ca 0.31 0.77 -0.06 0.00 -2.93 0.00 0.00 61.98 60.07 2ava s VAL 25 Cb -0.16 -3.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.01 2ava s VAL 25 CO 0.14 0.56 0.14 0.42 -3.33 0.00 0.00 175.10 173.03 2ava s THR 26 N -1.10 0.05 -0.43 5.04 -4.23 -1.26 -5.03 115.64 108.67 2ava s THR 26 Ca 0.24 -0.41 0.23 0.00 -1.18 0.00 0.00 61.69 60.57 2ava s THR 26 Cb -0.16 -0.34 0.24 0.00 1.34 0.00 0.00 72.50 73.57 2ava s THR 26 CO 0.13 -0.23 1.48 0.00 -0.54 0.00 0.00 174.62 175.46 2ava h ALA 27 N 4.97 0.86 0.00 3.99 0.00 -1.95 -3.21 119.26 123.91 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 0.41 0.00 -0.42 -3.47 0.00 0.00 0.00 179.25 175.76 2ava n ASP 28 N -2.85 0.71 -4.55 0.00 2.03 -1.26 -0.13 116.55 110.49 2ava n ASP 28 Ca 0.03 0.24 -0.32 0.00 0.52 0.00 0.00 54.79 55.26 2ava n ASP 28 Cb 0.52 -0.13 -0.04 0.00 -0.72 0.00 0.00 41.12 40.75 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2ava s SER 29 N -4.23 4.80 -0.25 1.67 0.15 -1.21 -4.74 113.70 109.88 2ava s SER 29 Ca 0.08 0.37 -0.35 0.00 0.70 0.00 0.00 55.95 56.75 2ava s SER 29 Cb 0.13 -2.53 -0.12 0.00 -1.71 0.00 0.00 66.02 61.80 2ava s SER 29 CO 0.68 -2.80 2.02 -0.62 1.20 0.00 0.00 173.24 173.72 2ava n GLU 30 N 9.03 1.46 0.16 5.44 1.02 -1.26 -4.01 120.64 132.47 2ava n GLU 30 Ca 0.32 0.48 0.01 0.00 -0.02 0.00 0.00 57.16 57.94 2ava n GLU 30 Cb 0.51 -2.49 0.28 0.00 -0.02 0.00 0.00 31.44 29.72 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 10.63 0.05 -1.68 -0.32 -0.00 -1.90 -3.43 116.94 120.29 2ava h PHE 31 Ca -0.38 -0.01 -0.63 0.00 -0.00 0.00 0.00 57.97 56.95 2ava h PHE 31 Cb 1.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 35.95 37.24 2ava h PHE 31 CO 0.90 0.49 1.33 0.43 -0.00 0.00 0.00 178.31 181.46 2ava n SER 32 N -4.00 2.93 -4.71 -0.68 7.64 -1.26 -4.91 113.62 108.62 2ava n SER 32 Ca -0.02 0.54 -0.33 0.00 1.01 0.00 0.00 58.87 60.07 2ava n SER 32 Cb 0.48 -1.39 0.12 0.00 -1.01 0.00 0.00 64.21 62.41 2ava n SER 32 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ava s LYS 33 N 5.54 1.76 -0.08 1.43 2.47 -1.26 -4.97 119.74 124.63 2ava s LYS 33 Ca 1.01 1.70 0.12 0.00 -1.56 0.00 0.00 55.97 57.24 2ava s LYS 33 Cb -0.64 -1.80 -0.17 0.00 -1.46 0.00 0.00 37.83 33.76 2ava s LYS 33 CO 0.46 -2.11 0.14 -0.11 0.16 0.00 0.00 175.35 173.89 2ava n LEU 34 N -3.24 0.00 0.00 5.43 7.94 -1.26 -4.80 117.00 121.07 2ava n LEU 34 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2ava n LEU 34 Cb 0.51 0.18 0.00 0.00 0.53 0.00 0.00 43.42 44.63 2ava n LEU 34 CO 0.48 0.18 0.10 0.61 -1.11 0.00 0.00 177.39 177.65 2ava n GLY 35 N 2.05 -0.13 3.09 -3.96 0.00 -1.26 -4.88 105.19 100.10 2ava n GLY 35 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.19 2.02 -0.28 4.61 0.00 -1.26 -4.99 121.76 118.66 2ava s ALA 36 Ca 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 51.96 51.10 2ava s ALA 36 Cb 0.00 -1.02 0.68 0.00 0.00 0.00 0.00 23.12 22.78 2ava s ALA 36 CO 0.00 -0.22 1.68 -0.25 0.00 0.00 0.00 175.76 176.97 2ava n ASP 37 N 4.43 4.42 -4.61 0.00 8.00 -1.26 -4.79 116.55 122.74 2ava n ASP 37 Ca -0.19 -3.23 -0.43 0.00 0.71 0.00 0.00 54.79 51.65 2ava n ASP 37 Cb 0.51 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.89 2ava n ASP 37 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ava s SER 38 N -1.41 6.73 -1.19 -2.24 0.15 -1.26 -3.79 113.70 110.70 2ava s SER 38 Ca 0.51 0.68 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 2ava s SER 38 Cb 0.41 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 62.24 2ava s SER 38 CO 0.11 -0.90 0.09 -0.11 1.20 0.00 0.00 173.24 173.62 2ava n LEU 39 N 6.91 -1.37 -0.10 3.45 7.94 -1.26 -4.83 117.00 127.74 2ava n LEU 39 Ca 0.09 0.08 -0.19 0.00 -1.11 0.00 0.00 56.01 54.88 2ava n LEU 39 Cb 0.48 -2.28 -0.12 0.00 0.53 0.00 0.00 43.42 42.03 2ava n LEU 39 CO 0.60 -0.09 -1.25 -0.67 -1.11 0.00 0.00 177.39 174.87 2ava n ASP 40 N -1.92 2.01 0.13 1.96 -0.08 -1.25 -4.15 116.55 113.25 2ava n ASP 40 Ca -0.14 -0.05 -0.02 0.00 -1.51 0.00 0.00 54.79 53.07 2ava n ASP 40 Cb 0.61 -0.52 0.16 0.00 2.34 0.00 0.00 41.12 43.71 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2ava h THR 41 N -0.03 1.45 -0.62 5.18 2.02 -1.88 -3.10 112.91 115.93 2ava h THR 41 Ca -0.55 -2.19 -0.08 0.00 0.77 0.00 0.00 66.41 64.36 2ava h THR 41 Cb 1.91 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 70.48 2ava h THR 41 CO -0.07 0.62 0.09 0.58 0.37 0.00 0.00 175.52 177.11 2ava h VAL 42 N 0.00 1.26 0.00 3.16 2.07 -1.92 0.18 116.25 121.00 2ava h VAL 42 Ca -0.01 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 2ava h VAL 42 Cb 1.13 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 2ava h VAL 42 CO 0.08 0.38 -0.23 -0.33 0.02 0.00 0.00 177.57 177.48 2ava h GLU 43 N 0.95 0.00 0.00 1.57 5.08 -1.70 -2.64 114.58 117.84 2ava h GLU 43 Ca 0.19 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.43 2ava h GLU 43 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2ava h GLU 43 CO 0.01 0.23 -0.70 0.82 -1.00 0.00 0.00 179.01 178.38 2ava h ILE 44 N 0.00 1.07 -0.83 3.13 1.08 -1.37 -3.25 117.51 117.34 2ava h ILE 44 Ca -0.00 -2.06 0.15 0.00 -0.39 0.00 0.00 64.86 62.56 2ava h ILE 44 Cb 0.73 2.28 -0.06 0.00 -3.07 0.00 0.00 36.82 36.69 2ava h ILE 44 CO 0.03 0.36 0.55 1.62 -0.69 0.00 0.00 178.15 180.02 2ava h VAL 45 N -1.00 0.80 -0.52 1.67 3.04 -0.70 -0.41 116.25 119.13 2ava h VAL 45 Ca -0.18 -0.19 -0.11 0.00 -1.01 0.00 0.00 66.70 65.21 2ava h VAL 45 Cb 1.05 0.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.53 2ava h VAL 45 CO -0.11 0.10 -0.10 0.24 -1.01 0.00 0.00 177.57 176.69 2ava h MET 46 N 0.54 0.99 0.57 4.17 2.86 -1.62 -1.36 114.93 121.09 2ava h MET 46 Ca 0.42 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 2ava h MET 46 Cb 0.82 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2ava h MET 46 CO -0.16 1.04 -0.33 -0.91 1.06 0.00 0.00 176.91 177.61 2ava h ASN 47 N 0.86 -0.82 0.25 1.22 4.21 -1.12 0.34 115.58 120.51 2ava h ASN 47 Ca 0.14 0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.68 2ava h ASN 47 Cb 0.66 0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 2ava h ASN 47 CO 0.05 -0.53 -0.16 -0.07 -1.29 0.00 0.00 177.43 175.43 2ava h LEU 48 N -0.85 -0.40 -1.47 1.61 3.38 -1.48 0.25 115.31 116.35 2ava h LEU 48 Ca -0.07 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.01 2ava h LEU 48 Cb 0.68 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2ava h LEU 48 CO 0.08 -0.26 0.46 -0.08 0.09 0.00 0.00 178.44 178.73 2ava h GLU 49 N -0.40 0.60 0.27 1.13 4.81 -1.20 0.23 114.58 120.01 2ava h GLU 49 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2ava h GLU 49 Cb 0.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2ava h GLU 49 CO 0.02 0.39 -0.13 1.49 -0.73 0.00 0.00 179.01 180.05 2ava h GLU 50 N 0.61 -0.35 -0.17 1.92 4.81 0.21 0.41 114.58 122.03 2ava h GLU 50 Ca 0.31 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2ava h GLU 50 Cb 0.41 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2ava h GLU 50 CO -0.10 -0.23 -0.23 1.49 -0.73 0.00 0.00 179.01 179.21 2ava h GLU 51 N -0.83 -0.26 0.00 1.92 4.57 -0.41 0.15 114.58 119.72 2ava h GLU 51 Ca -0.04 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2ava h GLU 51 Cb 0.28 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2ava h GLU 51 CO 0.06 -0.17 0.00 1.19 -1.18 0.00 0.00 179.01 178.91 2ava n PHE 52 N -5.36 0.35 -3.74 0.92 3.72 0.78 -4.90 117.46 109.23 2ava n PHE 52 Ca -0.02 0.13 -0.23 0.00 -0.05 0.00 0.00 57.45 57.28 2ava n PHE 52 Cb 0.28 -0.71 0.02 0.00 -0.94 0.00 0.00 39.48 38.13 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 0.13 -0.37 1.51 1.37 0.00 0.52 -4.93 105.19 103.41 2ava n GLY 53 Ca 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.26 0.00 -3.93 -0.61 -5.35 -0.05 -3.59 119.36 101.56 2ava n ILE 54 Ca -0.28 -0.97 -0.32 0.00 -0.27 0.00 0.00 62.75 60.91 2ava n ILE 54 Cb 0.67 0.09 -0.14 0.00 -1.74 0.00 0.00 39.64 38.52 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 -2.19 4.77 0.11 7.28 6.03 -1.26 -4.78 114.94 124.90 2ava s ASN 55 Ca 0.03 -2.44 0.05 0.00 -1.03 0.00 0.00 52.86 49.47 2ava s ASN 55 Cb -0.00 -1.69 -0.04 0.00 -3.03 0.00 0.00 41.25 36.49 2ava s ASN 55 CO 0.02 -0.37 0.02 -0.69 -2.03 0.00 0.00 177.10 174.05 2ava s VAL 56 N 0.52 4.04 0.14 3.54 1.01 -1.26 -5.03 120.40 123.37 2ava s VAL 56 Ca 0.13 -1.06 0.09 0.00 0.00 0.00 0.00 61.98 61.14 2ava s VAL 56 Cb -0.22 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2ava s VAL 56 CO -0.05 0.06 -0.17 -0.62 0.00 0.00 0.00 175.10 174.31 2ava s ASP 57 N -2.51 3.88 0.25 3.32 2.15 -1.26 -5.02 116.67 117.47 2ava s ASP 57 Ca 0.27 -0.62 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 2ava s ASP 57 Cb -0.11 -0.53 0.45 0.00 -0.30 0.00 0.00 42.92 42.44 2ava s ASP 57 CO 0.19 0.15 1.76 -0.33 -0.17 0.00 0.00 175.17 176.77 2ava h GLU 58 N 3.46 0.56 0.00 4.34 4.39 -2.00 0.33 114.58 125.66 2ava h GLU 58 Ca -0.49 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.16 2ava h GLU 58 Cb 1.18 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2ava h GLU 58 CO 0.48 0.37 -0.10 -0.44 -1.16 0.00 0.00 179.01 178.16 2ava h ASP 59 N 0.58 0.00 0.22 1.42 3.32 -2.00 -0.69 116.42 119.27 2ava h ASP 59 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 2ava h ASP 59 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2ava h ASP 59 CO -0.34 0.10 -0.59 1.17 -1.72 0.00 0.00 179.24 177.85 2ava n LYS 60 N -3.79 0.36 -0.69 3.56 3.00 0.88 -4.08 118.16 117.38 2ava n LYS 60 Ca -0.02 -0.25 0.06 0.00 -0.00 0.00 0.00 58.31 58.09 2ava n LYS 60 Cb 0.20 -1.49 0.17 0.00 0.00 0.00 0.00 35.03 33.91 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 -1.10 3.33 -0.04 3.14 0.00 0.46 -4.66 120.51 121.64 2ava n ALA 61 Ca 0.07 -3.07 -0.05 0.00 0.00 0.00 0.00 53.44 50.39 2ava n ALA 61 Cb 0.36 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.88 0.97 -1.90 0.00 10.64 -0.42 -4.71 117.38 121.08 2ava n GLN 62 Ca 0.16 0.03 -0.28 0.00 -1.83 0.00 0.00 57.00 55.08 2ava n GLN 62 Cb 0.76 -1.16 0.03 0.00 -0.86 0.00 0.00 30.24 29.01 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 -2.59 5.80 -4.68 2.61 -0.08 -1.26 -5.02 116.55 111.33 2ava n ASP 63 Ca -0.13 -3.76 -0.40 0.00 -1.51 0.00 0.00 54.79 48.99 2ava n ASP 63 Cb 0.67 -0.57 -0.05 0.00 2.34 0.00 0.00 41.12 43.50 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 -4.83 5.02 0.12 5.18 -1.09 -1.26 -5.06 121.20 119.27 2ava s ILE 64 Ca 0.54 1.31 -0.02 0.00 -2.23 0.00 0.00 60.65 60.25 2ava s ILE 64 Cb 0.44 -3.99 0.03 0.00 -1.58 0.00 0.00 42.46 37.36 2ava s ILE 64 CO -0.04 0.15 0.08 -1.20 -1.23 0.00 0.00 174.94 172.71 2ava n SER 65 N 4.61 -1.76 -3.64 3.58 7.64 -1.26 -4.88 113.62 117.90 2ava n SER 65 Ca -0.01 -0.26 -0.22 0.00 1.01 0.00 0.00 58.87 59.39 2ava n SER 65 Cb 0.50 -0.08 0.18 0.00 -1.01 0.00 0.00 64.21 63.79 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 -3.03 0.00 -0.29 0.44 5.66 -1.26 -4.13 114.28 111.67 2ava n THR 66 Ca 0.01 -0.07 0.30 0.00 -3.05 0.00 0.00 64.05 61.24 2ava n THR 66 Cb 0.05 -0.59 0.68 0.00 -1.55 0.00 0.00 70.33 68.92 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 -2.76 0.47 0.02 1.09 2.04 -1.62 -0.73 117.51 116.02 2ava h ILE 67 Ca -0.31 -0.04 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2ava h ILE 67 Cb 0.94 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 2ava h ILE 67 CO 0.20 0.02 -0.34 1.56 0.00 0.00 0.00 178.15 179.60 2ava h GLN 68 N 0.11 -0.48 -0.04 2.37 1.08 -0.82 -0.92 115.11 116.40 2ava h GLN 68 Ca 0.54 0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.61 2ava h GLN 68 Cb 1.92 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.45 2ava h GLN 68 CO -0.08 -0.32 -0.71 0.37 -0.95 0.00 0.00 178.83 177.14 2ava h GLN 69 N -0.50 0.22 -0.90 1.46 4.15 -1.43 -3.09 115.11 115.01 2ava h GLN 69 Ca 0.06 -0.18 0.10 0.00 0.77 0.00 0.00 58.65 59.39 2ava h GLN 69 Cb 0.58 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.23 2ava h GLN 69 CO -0.26 0.83 0.55 0.00 -1.93 0.00 0.00 178.83 178.02 2ava h ALA 70 N 1.11 1.31 -0.25 3.38 0.00 -0.69 -1.06 119.26 123.07 2ava h ALA 70 Ca -0.02 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2ava h ALA 70 Cb 1.26 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ava h ALA 70 CO 0.11 0.19 -0.60 0.00 0.00 0.00 0.00 179.25 178.95 2ava h ALA 71 N 1.48 0.46 0.06 0.00 0.00 -1.17 -2.72 119.26 117.37 2ava h ALA 71 Ca 0.43 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2ava h ALA 71 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2ava h ALA 71 CO -0.24 0.68 -0.09 0.22 0.00 0.00 0.00 179.25 179.83 2ava h ASP 72 N 0.61 -0.23 0.19 0.00 3.58 -1.26 -0.77 116.42 118.54 2ava h ASP 72 Ca -0.00 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 2ava h ASP 72 Cb 1.21 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 2ava h ASP 72 CO 0.13 -0.13 -0.15 0.58 -2.88 0.00 0.00 179.24 176.79 2ava h VAL 73 N -0.18 0.67 -1.01 2.25 2.07 -1.27 -2.51 116.25 116.28 2ava h VAL 73 Ca 0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.68 2ava h VAL 73 Cb 0.19 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 2ava h VAL 73 CO -0.05 0.00 0.63 0.40 0.02 0.00 0.00 177.57 178.57 2ava h ILE 74 N -0.35 0.84 -0.44 4.57 2.04 -1.36 -1.63 117.51 121.18 2ava h ILE 74 Ca -0.01 -0.31 0.09 0.00 1.00 0.00 0.00 64.86 65.63 2ava h ILE 74 Cb 0.31 -0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.16 2ava h ILE 74 CO -0.01 0.17 -0.11 -0.33 0.00 0.00 0.00 178.15 177.86 2ava h GLU 75 N 0.91 -0.01 0.00 2.37 5.08 -0.68 0.21 114.58 122.46 2ava h GLU 75 Ca 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 2ava h GLU 75 Cb 0.65 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2ava h GLU 75 CO -0.31 -0.00 -0.07 0.78 -1.00 0.00 0.00 179.01 178.41 2ava h GLY 76 N -0.01 0.00 1.30 -3.84 0.00 -1.20 -1.59 103.07 97.72 2ava h GLY 76 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2ava h GLY 76 CO -0.45 0.00 -0.54 1.41 0.00 0.00 0.00 176.54 176.96 2ava h LEU 77 N 0.00 0.00 -0.39 3.11 3.38 -0.42 -3.26 115.31 117.72 2ava h LEU 77 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ava h LEU 77 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2ava h LEU 77 CO 0.01 0.08 -0.42 0.18 0.09 0.00 0.00 178.44 178.38 2ava n LEU 78 N -2.19 1.02 -0.08 1.67 4.77 0.07 -2.53 117.00 119.74 2ava n LEU 78 Ca 0.03 -0.28 -0.14 0.00 -0.03 0.00 0.00 56.01 55.59 2ava n LEU 78 Cb 0.45 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2ava n LEU 78 CO 0.36 0.21 0.48 -0.33 -1.33 0.00 0.00 177.39 176.77 2ava h GLU 79 N 0.95 0.76 -0.08 3.23 5.08 -1.56 -3.29 114.58 119.68 2ava h GLU 79 Ca 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2ava h GLU 79 Cb 0.54 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2ava h GLU 79 CO 0.00 1.09 0.00 0.36 -1.00 0.00 0.00 179.01 179.46 2ava n LYS 80 N -4.15 0.91 -1.08 2.33 -0.00 -1.26 -5.05 118.16 109.86 2ava n LYS 80 Ca -0.05 -1.21 -0.36 0.00 -0.00 0.00 0.00 58.31 56.69 2ava n LYS 80 Cb 0.56 -1.15 0.05 0.00 -0.00 0.00 0.00 35.03 34.49 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 0.31 0.02 0.00 -1.58 -0.00 -1.05 -5.07 118.16 110.79 2ava n LYS 81 Ca 0.05 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2ava n LYS 81 Cb 0.23 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40