#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 3.86 0.42 0.00 -0.14 -1.26 -4.83 119.74 117.78 2ava s LYS 2 Ca 0.00 2.01 0.15 0.00 -1.36 0.00 0.00 55.97 56.77 2ava s LYS 2 Cb 0.00 -2.62 1.03 0.00 -1.68 0.00 0.00 37.83 34.57 2ava s LYS 2 CO 0.00 -0.53 1.90 0.87 -0.76 0.00 0.00 175.35 176.82 2ava h LYS 3 N 2.42 0.43 -0.82 1.68 1.57 -2.01 -0.25 116.57 119.59 2ava h LYS 3 Ca -0.49 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.35 2ava h LYS 3 Cb 1.25 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 2ava h LYS 3 CO 0.61 0.29 0.47 1.05 -0.57 0.00 0.00 179.45 181.31 2ava h GLU 4 N 0.45 0.79 0.04 3.15 4.11 -2.00 0.02 114.58 121.15 2ava h GLU 4 Ca 0.40 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 59.58 2ava h GLU 4 Cb 0.91 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ava h GLU 4 CO -0.14 0.52 -0.82 1.15 0.07 0.00 0.00 179.01 179.79 2ava h THR 5 N 0.81 1.39 -0.85 -1.06 2.02 -1.45 -2.68 112.91 111.10 2ava h THR 5 Ca 0.39 -2.25 0.08 0.00 0.77 0.00 0.00 66.41 65.40 2ava h THR 5 Cb 0.32 2.68 -0.07 0.00 -1.74 0.00 0.00 68.15 69.34 2ava h THR 5 CO -0.23 0.66 0.51 0.40 0.37 0.00 0.00 175.52 177.23 2ava h ILE 6 N -0.01 0.96 -0.17 3.11 2.04 -0.88 0.66 117.51 123.22 2ava h ILE 6 Ca -0.11 -0.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.27 2ava h ILE 6 Cb 1.53 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2ava h ILE 6 CO 0.16 0.16 -0.60 0.44 0.00 0.00 0.00 178.15 178.31 2ava h ASP 7 N 0.87 0.66 0.56 1.72 3.32 -1.07 -2.52 116.42 119.96 2ava h ASP 7 Ca 0.40 -0.37 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 2ava h ASP 7 Cb 0.30 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.67 2ava h ASP 7 CO -0.22 1.11 -0.27 0.11 -1.72 0.00 0.00 179.24 178.25 2ava h LYS 8 N 0.44 -0.73 -0.27 3.56 1.79 -0.95 -2.49 116.57 117.91 2ava h LYS 8 Ca -0.00 0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 2ava h LYS 8 Cb 1.17 0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 31.93 2ava h LYS 8 CO 0.11 -0.42 -0.09 0.28 -1.08 0.00 0.00 179.45 178.25 2ava h VAL 9 N -0.99 0.68 -0.43 0.50 2.07 -0.99 0.21 116.25 117.31 2ava h VAL 9 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.57 2ava h VAL 9 Cb 0.65 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2ava h VAL 9 CO 0.13 0.00 0.37 0.77 0.02 0.00 0.00 177.57 178.86 2ava h SER 10 N -0.03 0.00 -0.12 0.57 4.64 -1.47 -0.56 113.55 116.58 2ava h SER 10 Ca 0.14 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.34 2ava h SER 10 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2ava h SER 10 CO -0.30 0.00 -0.39 -0.78 -0.87 0.00 0.00 176.83 174.49 2ava h ASP 11 N 0.00 0.55 -0.96 4.97 3.58 -0.49 -3.03 116.42 121.05 2ava h ASP 11 Ca 0.20 -0.60 0.18 0.00 0.42 0.00 0.00 57.03 57.23 2ava h ASP 11 Cb 0.94 -0.16 -0.09 0.00 1.72 0.00 0.00 39.33 41.75 2ava h ASP 11 CO -0.00 1.06 0.61 0.40 -2.88 0.00 0.00 179.24 178.43 2ava h ILE 12 N 0.08 0.73 -0.39 2.25 5.03 -0.63 0.40 117.51 124.98 2ava h ILE 12 Ca -0.01 -0.22 -0.15 0.00 -0.12 0.00 0.00 64.86 64.36 2ava h ILE 12 Cb 1.02 0.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.82 2ava h ILE 12 CO 0.08 0.12 -0.33 0.58 -0.68 0.00 0.00 178.15 177.92 2ava h VAL 13 N 0.65 1.28 -0.58 1.67 2.07 -1.52 -3.10 116.25 116.72 2ava h VAL 13 Ca 0.52 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 2ava h VAL 13 Cb 0.95 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2ava h VAL 13 CO -0.28 0.50 0.03 0.11 0.02 0.00 0.00 177.57 177.95 2ava h LYS 14 N 0.72 0.98 0.00 1.57 1.57 -0.91 -2.39 116.57 118.12 2ava h LYS 14 Ca 0.07 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2ava h LYS 14 Cb 0.92 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2ava h LYS 14 CO 0.09 0.95 -0.02 0.93 -0.57 0.00 0.00 179.45 180.83 2ava h GLU 15 N 0.91 0.00 0.13 3.15 4.39 -0.95 0.44 114.58 122.65 2ava h GLU 15 Ca 0.17 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.89 2ava h GLU 15 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2ava h GLU 15 CO 0.02 0.02 -0.25 0.87 -1.16 0.00 0.00 179.01 178.51 2ava h LYS 16 N 0.00 -0.45 -0.23 2.33 1.79 -1.36 -3.07 116.57 115.59 2ava h LYS 16 Ca -0.00 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 2ava h LYS 16 Cb 0.05 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 2ava h LYS 16 CO 0.00 -0.30 -0.07 1.47 -1.08 0.00 0.00 179.45 179.47 2ava n LEU 17 N -5.37 3.60 -2.94 2.94 -0.00 -1.04 -5.02 117.00 109.18 2ava n LEU 17 Ca -0.07 -3.39 -0.09 0.00 -0.00 0.00 0.00 56.01 52.46 2ava n LEU 17 Cb 0.28 -0.56 0.01 0.00 -0.00 0.00 0.00 43.42 43.15 2ava n LEU 17 CO 0.26 0.96 -0.25 0.00 -0.00 0.00 0.00 177.39 178.36 2ava n ALA 18 N -0.96 -2.95 -3.85 1.47 0.00 0.11 -5.05 120.51 109.28 2ava n ALA 18 Ca 0.25 0.69 -0.09 0.00 0.00 0.00 0.00 53.44 54.29 2ava n ALA 18 Cb 0.88 -2.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 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 0.25 0.00 0.00 0.00 4.32 0.97 -4.88 117.00 117.67 2ava n LEU 19 Ca 0.04 -0.98 0.00 0.00 -0.02 0.00 0.00 56.01 55.05 2ava n LEU 19 Cb 0.34 0.29 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2ava n LEU 19 CO 0.42 -0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.05 2ava n GLY 20 N 1.61 0.72 0.03 -0.72 0.00 -1.26 -4.72 105.19 100.85 2ava n GLY 20 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2ava n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ava h ALA 21 N 0.00 0.00 -0.11 4.61 0.00 -2.00 -3.42 119.26 118.34 2ava h ALA 21 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2ava h ALA 21 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ava h ALA 21 CO 0.00 0.16 -0.00 -0.25 0.00 0.00 0.00 179.25 179.16 2ava n ASP 22 N -3.14 2.97 -4.52 0.00 8.00 -1.26 -5.01 116.55 113.58 2ava n ASP 22 Ca -0.02 -3.07 -0.29 0.00 0.71 0.00 0.00 54.79 52.12 2ava n ASP 22 Cb 0.08 -0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.86 3.05 0.14 2.53 1.01 -1.26 -5.13 120.40 117.88 2ava s VAL 23 Ca 0.36 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.77 2ava s VAL 23 Cb 0.31 -2.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.20 2ava s VAL 23 CO 0.05 0.10 0.57 0.54 0.00 0.00 0.00 175.10 176.37 2ava s VAL 24 N -1.18 4.80 -0.17 2.92 0.11 -1.26 -4.61 120.40 121.02 2ava s VAL 24 Ca 0.19 0.95 -0.08 0.00 -2.93 0.00 0.00 61.98 60.12 2ava s VAL 24 Cb -0.11 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2ava s VAL 24 CO 0.12 0.30 0.09 0.54 -3.33 0.00 0.00 175.10 172.81 2ava s VAL 25 N -1.41 5.03 0.03 2.04 0.11 -1.26 -5.04 120.40 119.91 2ava s VAL 25 Ca 0.37 0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.48 2ava s VAL 25 Cb -0.16 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.42 2ava s VAL 25 CO 0.19 0.49 -0.07 0.42 -3.33 0.00 0.00 175.10 172.81 2ava s THR 26 N 0.03 0.49 -0.34 5.04 -4.23 -1.26 -5.03 115.64 110.34 2ava s THR 26 Ca 0.07 -0.78 0.20 0.00 -1.18 0.00 0.00 61.69 60.01 2ava s THR 26 Cb -0.12 -0.52 0.23 0.00 1.34 0.00 0.00 72.50 73.44 2ava s THR 26 CO 0.00 -0.21 1.53 0.00 -0.54 0.00 0.00 174.62 175.41 2ava h ALA 27 N 5.03 0.87 -0.01 3.99 0.00 -1.96 -3.14 119.26 124.06 2ava h ALA 27 Ca -0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ava h ALA 27 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2ava h ALA 27 CO 0.44 0.22 -0.30 -0.25 0.00 0.00 0.00 179.25 179.36 2ava n ASP 28 N -3.13 1.00 -4.56 0.00 8.00 -1.26 -0.18 116.55 116.43 2ava n ASP 28 Ca 0.03 -0.84 -0.23 0.00 0.71 0.00 0.00 54.79 54.46 2ava n ASP 28 Cb 0.60 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.82 2ava n ASP 28 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ava s SER 29 N -2.57 4.62 -0.26 -2.24 0.01 -1.19 -4.81 113.70 107.26 2ava s SER 29 Ca 0.22 -0.23 -0.37 0.00 1.31 0.00 0.00 55.95 56.88 2ava s SER 29 Cb 0.19 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.74 2ava s SER 29 CO 0.55 -3.18 1.95 -0.62 0.41 0.00 0.00 173.24 172.36 2ava n GLU 30 N 8.87 1.36 0.08 12.44 1.02 -1.26 -4.27 120.64 138.88 2ava n GLU 30 Ca 0.41 0.46 -0.08 0.00 -0.02 0.00 0.00 57.16 57.94 2ava n GLU 30 Cb 0.46 -2.37 -0.07 0.00 -0.02 0.00 0.00 31.44 29.45 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 9.71 0.10 -3.66 -0.32 -0.00 -1.89 -3.44 116.94 117.43 2ava h PHE 31 Ca -0.39 -0.07 -0.67 0.00 -0.00 0.00 0.00 57.97 56.84 2ava h PHE 31 Cb 1.31 -0.01 -0.27 0.00 -0.00 0.00 0.00 35.95 36.98 2ava h PHE 31 CO 0.87 0.98 -0.80 0.45 -0.00 0.00 0.00 178.31 179.81 2ava s SER 32 N -6.81 3.74 0.20 -0.68 0.15 -1.26 -5.13 113.70 103.91 2ava s SER 32 Ca -0.00 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.37 2ava s SER 32 Cb 0.10 -1.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.14 2ava s SER 32 CO 0.82 0.23 0.05 -0.75 1.20 0.00 0.00 173.24 174.79 2ava s LYS 33 N -0.05 2.54 0.46 5.44 2.20 -1.26 -4.97 119.74 124.10 2ava s LYS 33 Ca -0.04 -1.11 0.20 0.00 -0.36 0.00 0.00 55.97 54.66 2ava s LYS 33 Cb -0.14 -2.40 1.18 0.00 -1.51 0.00 0.00 37.83 34.96 2ava s LYS 33 CO 0.04 0.44 1.91 1.25 -0.36 0.00 0.00 175.35 178.63 2ava h LEU 34 N 2.38 0.27 -3.99 5.43 5.85 -2.01 0.38 115.31 123.62 2ava h LEU 34 Ca -0.47 0.02 -0.61 0.00 0.84 0.00 0.00 57.88 57.66 2ava h LEU 34 Cb 1.21 -0.03 -0.30 0.00 0.37 0.00 0.00 40.66 41.92 2ava h LEU 34 CO 0.60 0.13 0.78 0.61 -0.34 0.00 0.00 178.44 180.21 2ava n GLY 35 N -1.57 5.34 3.87 3.75 0.00 -1.26 -4.96 105.19 110.37 2ava n GLY 35 Ca 0.16 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.07 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 -3.62 3.80 0.82 4.61 0.00 0.12 -5.10 121.76 122.40 2ava s ALA 36 Ca 0.62 -1.06 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 2ava s ALA 36 Cb 0.50 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 22.09 2ava s ALA 36 CO 0.04 0.59 1.13 -0.51 0.00 0.00 0.00 175.76 177.01 2ava s ASP 37 N -3.00 3.80 -0.26 0.00 1.01 -1.26 -4.94 116.67 112.02 2ava s ASP 37 Ca 0.33 2.06 0.13 0.00 0.71 0.00 0.00 52.55 55.77 2ava s ASP 37 Cb -0.11 -2.55 0.73 0.00 1.01 0.00 0.00 42.92 42.00 2ava s ASP 37 CO 0.26 -2.51 1.70 -1.54 0.21 0.00 0.00 175.17 173.29 2ava n SER 38 N -3.68 4.94 -0.01 0.27 3.41 -1.26 -4.29 113.62 113.00 2ava n SER 38 Ca 0.11 -3.10 -0.02 0.00 -0.26 0.00 0.00 58.87 55.61 2ava n SER 38 Cb 0.52 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 2ava n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ava n LEU 39 N 0.05 1.19 0.14 1.04 4.32 -1.26 -4.65 117.00 117.83 2ava n LEU 39 Ca 0.32 -0.01 0.04 0.00 -0.02 0.00 0.00 56.01 56.34 2ava n LEU 39 Cb 1.21 -0.01 0.46 0.00 -1.62 0.00 0.00 43.42 43.46 2ava n LEU 39 CO 0.33 0.26 0.97 -0.78 -1.22 0.00 0.00 177.39 176.94 2ava h ASP 40 N 0.00 0.19 -0.52 -1.43 3.58 -1.99 -2.20 116.42 114.05 2ava h ASP 40 Ca -0.07 -0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.41 2ava h ASP 40 Cb 1.13 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2ava h ASP 40 CO -0.00 0.28 0.35 0.74 -2.88 0.00 0.00 179.24 177.72 2ava h THR 41 N 0.20 1.00 -0.71 2.25 2.02 -1.83 -1.36 112.91 114.49 2ava h THR 41 Ca 0.05 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 2ava h THR 41 Cb 0.23 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2ava h THR 41 CO 0.01 0.09 0.33 0.58 0.37 0.00 0.00 175.52 176.90 2ava h VAL 42 N 0.50 1.23 0.00 3.16 2.07 -1.68 0.17 116.25 121.69 2ava h VAL 42 Ca 0.22 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.02 2ava h VAL 42 Cb 0.25 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2ava h VAL 42 CO -0.06 0.27 -0.35 -0.33 0.02 0.00 0.00 177.57 177.12 2ava h GLU 43 N 1.01 0.00 0.00 1.57 4.39 -1.35 -2.61 114.58 117.59 2ava h GLU 43 Ca 0.24 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.89 2ava h GLU 43 Cb 0.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2ava h GLU 43 CO -0.03 0.35 -0.32 0.82 -1.16 0.00 0.00 179.01 178.67 2ava h ILE 44 N 0.00 1.14 -0.75 3.13 1.08 -1.04 -3.21 117.51 117.86 2ava h ILE 44 Ca -0.00 -1.96 0.15 0.00 -0.39 0.00 0.00 64.86 62.65 2ava h ILE 44 Cb 0.83 2.26 -0.05 0.00 -3.07 0.00 0.00 36.82 36.79 2ava h ILE 44 CO 0.05 0.39 0.50 1.62 -0.69 0.00 0.00 178.15 180.01 2ava h VAL 45 N -1.00 0.79 -0.24 1.67 3.04 -0.76 -1.15 116.25 118.60 2ava h VAL 45 Ca -0.08 -0.14 -0.04 0.00 -1.01 0.00 0.00 66.70 65.43 2ava h VAL 45 Cb 0.85 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 2ava h VAL 45 CO -0.05 0.07 -0.01 0.24 -1.01 0.00 0.00 177.57 176.81 2ava h MET 46 N 0.40 0.43 0.09 4.17 2.07 -1.59 -0.34 114.93 120.16 2ava h MET 46 Ca 0.37 -0.14 0.01 0.00 -2.07 0.00 0.00 59.70 57.86 2ava h MET 46 Cb 0.87 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.54 2ava h MET 46 CO -0.11 0.62 -0.15 -0.91 1.07 0.00 0.00 176.91 177.43 2ava h ASN 47 N 0.19 -0.40 0.19 1.22 4.21 -1.23 0.26 115.58 120.03 2ava h ASN 47 Ca 0.07 0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.61 2ava h ASN 47 Cb 0.44 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 2ava h ASN 47 CO 0.01 -0.21 -0.09 -0.07 -1.29 0.00 0.00 177.43 175.78 2ava h LEU 48 N -0.29 -0.22 -2.02 1.61 3.38 -1.43 0.24 115.31 116.59 2ava h LEU 48 Ca 0.02 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 57.98 2ava h LEU 48 Cb 0.30 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2ava h LEU 48 CO -0.08 -0.08 0.13 -0.08 0.09 0.00 0.00 178.44 178.42 2ava h GLU 49 N -0.34 0.00 0.05 1.13 4.81 -0.93 0.85 114.58 120.15 2ava h GLU 49 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2ava h GLU 49 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2ava h GLU 49 CO 0.04 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.79 2ava h GLU 50 N 0.00 -0.06 -0.24 1.92 4.57 0.02 -0.61 114.58 120.18 2ava h GLU 50 Ca 0.08 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.33 2ava h GLU 50 Cb 0.33 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 2ava h GLU 50 CO -0.00 -0.04 -0.22 1.49 -1.18 0.00 0.00 179.01 179.06 2ava h GLU 51 N -0.75 -0.22 0.00 1.92 4.57 -0.44 0.40 114.58 120.06 2ava h GLU 51 Ca -0.01 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2ava h GLU 51 Cb 0.05 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2ava h GLU 51 CO 0.01 -0.15 0.00 0.74 -1.18 0.00 0.00 179.01 178.43 2ava h PHE 52 N -0.23 0.00 -5.54 0.92 0.04 -1.00 -3.47 116.94 107.67 2ava h PHE 52 Ca 0.14 0.00 -0.37 0.00 2.80 0.00 0.00 57.97 60.54 2ava h PHE 52 Cb 0.44 0.00 0.14 0.00 2.20 0.00 0.00 35.95 38.72 2ava h PHE 52 CO -0.38 0.00 -0.65 0.41 -0.60 0.00 0.00 178.31 177.09 2ava n GLY 53 N 0.28 -0.44 1.92 -1.45 0.00 0.13 -4.98 105.19 100.66 2ava n GLY 53 Ca 0.02 0.18 -0.11 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 -4.73 0.00 -3.79 -0.61 -5.35 -0.48 -4.89 119.36 99.51 2ava n ILE 54 Ca -0.03 -1.03 -0.29 0.00 -0.27 0.00 0.00 62.75 61.13 2ava n ILE 54 Cb 0.57 -0.50 -0.12 0.00 -1.74 0.00 0.00 39.64 37.85 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 -2.70 3.98 -0.13 7.28 6.03 -1.26 -4.79 114.94 123.35 2ava s ASN 55 Ca 0.23 -3.34 -0.05 0.00 -1.03 0.00 0.00 52.86 48.67 2ava s ASN 55 Cb -0.02 -1.33 -0.04 0.00 -3.03 0.00 0.00 41.25 36.83 2ava s ASN 55 CO 0.14 -0.16 0.04 0.54 -2.03 0.00 0.00 177.10 175.64 2ava s VAL 56 N -0.66 4.65 0.32 3.54 0.11 -1.26 -5.02 120.40 122.07 2ava s VAL 56 Ca 0.23 -0.11 -0.02 0.00 -2.93 0.00 0.00 61.98 59.16 2ava s VAL 56 Cb -0.11 -3.02 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2ava s VAL 56 CO -0.11 0.55 0.54 -0.62 -3.33 0.00 0.00 175.10 172.14 2ava s ASP 57 N -0.41 6.36 0.26 3.54 -1.08 -1.26 -4.94 116.67 119.14 2ava s ASP 57 Ca 0.09 0.57 -0.02 0.00 -0.52 0.00 0.00 52.55 52.67 2ava s ASP 57 Cb -0.12 -2.08 0.46 0.00 -1.46 0.00 0.00 42.92 39.72 2ava s ASP 57 CO 0.02 -0.24 1.83 -0.33 0.52 0.00 0.00 175.17 176.96 2ava h GLU 58 N 1.21 0.89 0.00 4.34 4.39 -1.99 0.18 114.58 123.60 2ava h GLU 58 Ca -0.49 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 2ava h GLU 58 Cb 1.20 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2ava h GLU 58 CO 0.64 0.59 -0.03 0.22 -1.16 0.00 0.00 179.01 179.27 2ava h ASP 59 N 0.92 0.00 -0.02 1.42 1.82 -2.00 0.57 116.42 119.14 2ava h ASP 59 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.08 2ava h ASP 59 Cb 0.39 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2ava h ASP 59 CO -0.25 0.03 -0.37 1.17 -1.61 0.00 0.00 179.24 178.21 2ava n LYS 60 N -3.95 1.46 -0.32 0.28 3.00 0.36 -4.22 118.16 114.76 2ava n LYS 60 Ca -0.03 -1.17 0.08 0.00 -0.00 0.00 0.00 58.31 57.18 2ava n LYS 60 Cb 0.11 -1.46 0.14 0.00 0.00 0.00 0.00 35.03 33.82 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 0.25 2.60 -0.02 3.14 0.00 0.33 -4.65 120.51 122.16 2ava n ALA 61 Ca 0.10 -2.61 -0.02 0.00 0.00 0.00 0.00 53.44 50.90 2ava n ALA 61 Cb 0.49 -0.40 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.11 1.31 -1.43 0.00 -0.00 0.01 -4.70 117.38 111.45 2ava n GLN 62 Ca 0.15 0.01 -0.26 0.00 -0.00 0.00 0.00 57.00 56.90 2ava n GLN 62 Cb 0.68 -1.08 0.09 0.00 -0.00 0.00 0.00 30.24 29.93 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 -2.44 5.76 -4.76 2.61 2.03 -1.26 -5.00 116.55 113.49 2ava n ASP 63 Ca -0.07 -3.76 -0.39 0.00 0.52 0.00 0.00 54.79 51.09 2ava n ASP 63 Cb 0.59 -0.74 -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 -4.37 4.89 0.03 5.18 -1.09 -1.26 -5.08 121.20 119.50 2ava s ILE 64 Ca 0.57 1.30 -0.00 0.00 -2.23 0.00 0.00 60.65 60.28 2ava s ILE 64 Cb 0.47 -3.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.40 2ava s ILE 64 CO 0.02 0.41 0.03 -1.20 -1.23 0.00 0.00 174.94 172.96 2ava n SER 65 N 2.77 -0.60 -3.59 3.58 7.64 -1.26 -4.91 113.62 117.25 2ava n SER 65 Ca -0.06 -0.72 -0.21 0.00 1.01 0.00 0.00 58.87 58.89 2ava n SER 65 Cb 0.51 -0.02 0.17 0.00 -1.01 0.00 0.00 64.21 63.86 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 -2.34 0.00 -0.29 0.44 5.66 -1.26 -3.96 114.28 112.52 2ava n THR 66 Ca 0.00 -0.05 0.30 0.00 -3.05 0.00 0.00 64.05 61.24 2ava n THR 66 Cb 0.01 -0.59 0.66 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 -2.81 0.48 0.12 1.09 5.03 -1.66 -0.04 117.51 119.72 2ava h ILE 67 Ca -0.29 -0.05 0.02 0.00 -0.12 0.00 0.00 64.86 64.42 2ava h ILE 67 Cb 0.90 0.33 -0.04 0.00 -3.03 0.00 0.00 36.82 34.98 2ava h ILE 67 CO 0.19 0.02 -0.36 1.56 -0.68 0.00 0.00 178.15 178.88 2ava h GLN 68 N 0.14 -0.57 -0.07 2.37 1.08 -0.86 0.84 115.11 118.04 2ava h GLN 68 Ca 0.55 0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.58 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 -0.11 -0.38 -0.80 0.37 -0.95 0.00 0.00 178.83 176.96 2ava h GLN 69 N -0.59 0.47 -0.23 1.46 4.15 -1.45 -3.12 115.11 115.79 2ava h GLN 69 Ca 0.03 -0.42 0.05 0.00 0.77 0.00 0.00 58.65 59.08 2ava h GLN 69 Cb 0.62 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.36 2ava h GLN 69 CO -0.21 1.06 -0.06 0.00 -1.93 0.00 0.00 178.83 177.68 2ava h ALA 70 N 0.81 0.15 -0.85 3.38 0.00 -0.75 -0.60 119.26 121.40 2ava h ALA 70 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2ava h ALA 70 Cb 1.41 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.34 2ava h ALA 70 CO 0.14 -0.48 0.53 0.00 0.00 0.00 0.00 179.25 179.45 2ava h ALA 71 N 1.23 1.08 -0.06 0.00 0.00 -0.89 -1.82 119.26 118.79 2ava h ALA 71 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2ava h ALA 71 Cb 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ava h ALA 71 CO -0.24 0.52 0.04 0.22 0.00 0.00 0.00 179.25 179.79 2ava h ASP 72 N 1.16 0.07 0.55 0.00 3.58 -1.33 -0.79 116.42 119.66 2ava h ASP 72 Ca 0.31 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 2ava h ASP 72 Cb -0.08 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2ava h ASP 72 CO -0.06 0.06 -0.36 0.58 -2.88 0.00 0.00 179.24 176.57 2ava h VAL 73 N 0.08 0.26 -0.96 2.25 2.07 -0.87 -2.55 116.25 116.52 2ava h VAL 73 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 2ava h VAL 73 Cb -0.00 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 29.94 2ava h VAL 73 CO -0.00 0.00 0.61 0.40 0.02 0.00 0.00 177.57 178.59 2ava h ILE 74 N -0.88 0.79 -0.73 4.57 2.04 -1.30 -0.83 117.51 121.18 2ava h ILE 74 Ca -0.06 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.67 2ava h ILE 74 Cb 0.72 -0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 2ava h ILE 74 CO 0.05 0.14 0.27 -0.33 0.00 0.00 0.00 178.15 178.28 2ava h GLU 75 N 0.76 0.41 0.00 2.37 5.08 -0.71 0.16 114.58 122.64 2ava h GLU 75 Ca 0.51 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.78 2ava h GLU 75 Cb 0.79 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ava h GLU 75 CO -0.28 0.27 -0.30 0.78 -1.00 0.00 0.00 179.01 178.48 2ava h GLY 76 N 0.42 0.00 1.51 -3.84 0.00 -1.01 -2.41 103.07 97.74 2ava h GLY 76 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2ava h GLY 76 CO -0.40 0.00 -0.22 1.04 0.00 0.00 0.00 176.54 176.97 2ava n LEU 77 N -3.68 0.24 0.01 3.11 4.77 0.37 -3.32 117.00 118.50 2ava n LEU 77 Ca -0.01 0.26 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 2ava n LEU 77 Cb 0.41 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2ava n LEU 77 CO 0.35 0.06 0.23 0.18 -1.33 0.00 0.00 177.39 176.88 2ava n LEU 78 N -1.47 0.65 0.06 2.23 4.77 -0.17 -1.42 117.00 121.65 2ava n LEU 78 Ca 0.07 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 2ava n LEU 78 Cb 0.33 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2ava n LEU 78 CO 0.30 0.13 0.18 -0.33 -1.33 0.00 0.00 177.39 176.34 2ava h GLU 79 N 0.00 0.45 0.00 3.23 5.08 -1.54 -3.40 114.58 118.40 2ava h GLU 79 Ca 0.00 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2ava h GLU 79 Cb 0.56 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ava h GLU 79 CO 0.00 1.12 -1.13 0.36 -1.00 0.00 0.00 179.01 178.36 2ava n LYS 80 N -3.76 0.05 -4.15 2.33 -0.00 -1.26 -5.01 118.16 106.36 2ava n LYS 80 Ca -0.07 0.02 -0.34 0.00 -0.00 0.00 0.00 58.31 57.92 2ava n LYS 80 Cb 0.83 -0.75 -0.08 0.00 -0.00 0.00 0.00 35.03 35.03 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 -2.91 -0.81 0.00 -1.58 2.85 -0.51 -5.07 118.16 110.13 2ava n LYS 81 Ca -0.05 0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2ava n LYS 81 Cb 0.54 -3.82 0.00 0.00 -0.65 0.00 0.00 35.03 31.09 2ava n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35