#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 4.23 0.36 0.00 -0.14 -1.26 -4.86 119.74 118.07 2ava s LYS 2 Ca 0.00 1.19 0.12 0.00 -1.36 0.00 0.00 55.97 55.92 2ava s LYS 2 Cb 0.00 -2.27 0.92 0.00 -1.68 0.00 0.00 37.83 34.80 2ava s LYS 2 CO 0.00 -0.04 1.81 0.87 -0.76 0.00 0.00 175.35 177.24 2ava h LYS 3 N 2.07 0.57 -0.82 1.68 1.57 -2.01 0.97 116.57 120.60 2ava h LYS 3 Ca -0.49 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.33 2ava h LYS 3 Cb 1.19 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 2ava h LYS 3 CO 0.61 0.37 0.49 1.05 -0.57 0.00 0.00 179.45 181.41 2ava h GLU 4 N 0.58 0.85 0.05 3.15 4.11 -1.99 0.73 114.58 122.05 2ava h GLU 4 Ca 0.53 -0.05 -0.23 0.00 0.07 0.00 0.00 59.36 59.68 2ava h GLU 4 Cb 1.07 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.15 2ava h GLU 4 CO -0.28 0.56 -0.93 1.15 0.07 0.00 0.00 179.01 179.58 2ava h THR 5 N 0.87 1.35 -0.80 -1.06 2.02 -1.27 -2.62 112.91 111.42 2ava h THR 5 Ca 0.37 -2.28 0.03 0.00 0.77 0.00 0.00 66.41 65.30 2ava h THR 5 Cb 0.22 2.61 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 2ava h THR 5 CO -0.19 0.68 0.51 0.40 0.37 0.00 0.00 175.52 177.29 2ava h ILE 6 N 0.13 1.12 -0.31 3.11 2.04 -0.69 0.33 117.51 123.23 2ava h ILE 6 Ca -0.13 -0.34 -0.16 0.00 1.00 0.00 0.00 64.86 65.23 2ava h ILE 6 Cb 1.63 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2ava h ILE 6 CO 0.18 0.18 -0.45 -0.78 0.00 0.00 0.00 178.15 177.29 2ava h ASP 7 N 0.99 0.87 0.66 1.72 1.82 -0.94 -2.50 116.42 119.04 2ava h ASP 7 Ca 0.32 -0.42 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 2ava h ASP 7 Cb 0.02 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 39.79 2ava h ASP 7 CO -0.11 1.18 -0.32 0.11 -1.61 0.00 0.00 179.24 178.49 2ava h LYS 8 N 0.64 -0.86 -0.31 0.28 1.79 -1.02 -2.58 116.57 114.51 2ava h LYS 8 Ca 0.04 0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.64 2ava h LYS 8 Cb 1.02 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.79 2ava h LYS 8 CO 0.10 -0.54 -0.19 0.28 -1.08 0.00 0.00 179.45 178.02 2ava h VAL 9 N -1.10 0.46 -0.50 0.50 2.07 -1.03 0.16 116.25 116.82 2ava h VAL 9 Ca -0.09 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.57 2ava h VAL 9 Cb 0.72 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2ava h VAL 9 CO 0.15 0.00 0.44 0.28 0.02 0.00 0.00 177.57 178.46 2ava h SER 10 N -0.15 0.00 -0.08 0.57 0.02 -1.47 -0.25 113.55 112.19 2ava h SER 10 Ca 0.16 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.99 2ava h SER 10 Cb 0.40 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.95 2ava h SER 10 CO -0.41 0.00 -0.43 -0.78 -1.14 0.00 0.00 176.83 174.07 2ava h ASP 11 N 0.00 0.52 -0.94 3.07 3.58 -0.28 -2.99 116.42 119.39 2ava h ASP 11 Ca 0.24 -0.65 0.21 0.00 0.42 0.00 0.00 57.03 57.25 2ava h ASP 11 Cb 1.10 -0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.92 2ava h ASP 11 CO -0.00 1.09 0.61 0.40 -2.88 0.00 0.00 179.24 178.46 2ava h ILE 12 N -0.01 0.66 -0.12 2.25 5.03 -0.43 0.94 117.51 125.83 2ava h ILE 12 Ca -0.03 -0.15 -0.22 0.00 -0.12 0.00 0.00 64.86 64.34 2ava h ILE 12 Cb 1.08 0.17 0.01 0.00 -3.03 0.00 0.00 36.82 35.05 2ava h ILE 12 CO 0.09 0.08 -0.79 0.58 -0.68 0.00 0.00 178.15 177.43 2ava h VAL 13 N 0.45 1.30 -0.46 1.67 2.07 -1.52 -3.20 116.25 116.57 2ava h VAL 13 Ca 0.50 -2.04 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 2ava h VAL 13 Cb 1.19 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 2ava h VAL 13 CO -0.22 0.64 0.13 0.11 0.02 0.00 0.00 177.57 178.26 2ava h LYS 14 N 0.46 0.71 -0.20 1.57 1.57 -0.74 -2.42 116.57 117.52 2ava h LYS 14 Ca -0.05 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.63 2ava h LYS 14 Cb 1.41 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2ava h LYS 14 CO 0.16 0.69 0.18 0.93 -0.57 0.00 0.00 179.45 180.83 2ava h GLU 15 N 0.60 0.00 -0.86 3.15 5.08 -1.14 0.35 114.58 121.76 2ava h GLU 15 Ca 0.15 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.66 2ava h GLU 15 Cb 0.28 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 2ava h GLU 15 CO -0.00 0.00 0.45 0.87 -1.00 0.00 0.00 179.01 179.33 2ava h LYS 16 N 0.00 0.62 0.00 2.33 1.79 -1.42 -2.61 116.57 117.27 2ava h LYS 16 Ca 0.10 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 2ava h LYS 16 Cb 0.45 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 2ava h LYS 16 CO -0.00 0.41 -0.20 1.47 -1.08 0.00 0.00 179.45 180.04 2ava n LEU 17 N -4.86 1.88 -3.07 2.94 -0.00 -0.66 -5.02 117.00 108.20 2ava n LEU 17 Ca 0.17 -2.74 -0.04 0.00 -0.00 0.00 0.00 56.01 53.40 2ava n LEU 17 Cb 0.44 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 2ava n LEU 17 CO 0.21 0.70 0.23 0.00 -0.00 0.00 0.00 177.39 178.53 2ava n ALA 18 N -1.04 -2.63 -4.46 1.47 0.00 0.78 -5.05 120.51 109.58 2ava n ALA 18 Ca 0.13 0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.62 2ava n ALA 18 Cb 0.68 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 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 -1.46 0.00 0.00 0.00 4.32 0.87 -4.85 117.00 115.88 2ava n LEU 19 Ca 0.00 -2.01 0.00 0.00 -0.02 0.00 0.00 56.01 53.98 2ava n LEU 19 Cb 0.51 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.55 2ava n LEU 19 CO 0.53 -0.29 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 2ava n GLY 20 N 1.12 0.80 0.02 -0.72 0.00 -1.26 -4.61 105.19 100.54 2ava n GLY 20 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.72 0.12 -1.35 4.61 0.00 -1.26 -4.70 120.51 116.21 2ava n ALA 21 Ca 0.00 -0.23 0.04 0.00 0.00 0.00 0.00 53.44 53.25 2ava n ALA 21 Cb 0.00 0.00 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 -2.82 2.37 -4.43 0.00 8.00 -1.26 -5.02 116.55 113.40 2ava n ASP 22 Ca -0.02 -3.56 -0.29 0.00 0.71 0.00 0.00 54.79 51.63 2ava n ASP 22 Cb 0.07 -0.54 -0.12 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.10 2.48 0.04 2.53 1.01 -1.26 -5.12 120.40 116.97 2ava s VAL 23 Ca 0.39 -1.71 -0.22 0.00 0.00 0.00 0.00 61.98 60.44 2ava s VAL 23 Cb 0.36 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.55 2ava s VAL 23 CO -0.01 0.06 0.64 0.54 0.00 0.00 0.00 175.10 176.34 2ava s VAL 24 N -1.18 4.77 -0.18 2.92 0.11 -1.26 -4.68 120.40 120.90 2ava s VAL 24 Ca 0.16 1.36 -0.12 0.00 -2.93 0.00 0.00 61.98 60.46 2ava s VAL 24 Cb -0.10 -3.98 -0.05 0.00 -1.53 0.00 0.00 36.38 30.72 2ava s VAL 24 CO 0.08 0.46 0.20 0.54 -3.33 0.00 0.00 175.10 173.05 2ava s VAL 25 N -0.51 5.37 0.03 2.04 0.11 -1.26 -5.06 120.40 121.12 2ava s VAL 25 Ca 0.32 0.34 0.03 0.00 -2.93 0.00 0.00 61.98 59.75 2ava s VAL 25 Cb -0.20 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.10 2ava s VAL 25 CO 0.20 0.42 -0.09 0.42 -3.33 0.00 0.00 175.10 172.72 2ava s THR 26 N 0.36 0.72 -0.35 5.04 -4.23 -1.26 -5.03 115.64 110.88 2ava s THR 26 Ca 0.12 -0.85 0.22 0.00 -1.18 0.00 0.00 61.69 59.99 2ava s THR 26 Cb -0.12 -0.69 0.21 0.00 1.34 0.00 0.00 72.50 73.24 2ava s THR 26 CO 0.01 -0.13 1.43 0.00 -0.54 0.00 0.00 174.62 175.39 2ava h ALA 27 N 5.00 0.84 -0.00 3.99 0.00 -1.95 -3.20 119.26 123.94 2ava h ALA 27 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ava h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ava h ALA 27 CO 0.44 0.11 -0.37 -0.40 0.00 0.00 0.00 179.25 179.03 2ava n ASP 28 N -3.01 0.61 -4.56 0.00 5.75 -1.26 -0.16 116.55 113.93 2ava n ASP 28 Ca 0.02 -0.41 -0.26 0.00 -0.01 0.00 0.00 54.79 54.14 2ava n ASP 28 Cb 0.57 0.15 -0.05 0.00 -1.03 0.00 0.00 41.12 40.76 2ava n ASP 28 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2ava s SER 29 N -2.82 4.50 -0.16 -1.12 0.15 -1.21 -4.80 113.70 108.24 2ava s SER 29 Ca 0.16 0.18 -0.36 0.00 0.70 0.00 0.00 55.95 56.64 2ava s SER 29 Cb 0.18 -2.54 -0.13 0.00 -1.71 0.00 0.00 66.02 61.83 2ava s SER 29 CO 0.62 -3.17 1.87 -0.62 1.20 0.00 0.00 173.24 173.14 2ava n GLU 30 N 8.93 1.86 0.09 5.44 1.02 -1.26 -4.22 120.64 132.49 2ava n GLU 30 Ca 0.39 0.67 0.03 0.00 -0.02 0.00 0.00 57.16 58.24 2ava n GLU 30 Cb 0.48 -2.50 -0.02 0.00 -0.02 0.00 0.00 31.44 29.38 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 8.96 0.00 -0.93 -0.32 -0.00 -1.89 -3.33 116.94 119.42 2ava h PHE 31 Ca -0.47 0.00 0.20 0.00 -0.00 0.00 0.00 57.97 57.70 2ava h PHE 31 Cb 1.29 0.00 -0.08 0.00 -0.00 0.00 0.00 35.95 37.16 2ava h PHE 31 CO 0.86 0.43 0.60 1.03 -0.00 0.00 0.00 178.31 181.23 2ava h SER 32 N 0.00 0.52 -3.35 -0.68 0.87 -1.91 -3.36 113.55 105.64 2ava h SER 32 Ca -0.07 0.05 -0.54 0.00 -1.23 0.00 0.00 61.79 60.00 2ava h SER 32 Cb 1.39 -0.04 -0.39 0.00 -0.44 0.00 0.00 62.40 62.93 2ava h SER 32 CO 0.04 0.20 -0.78 -0.75 -0.53 0.00 0.00 176.83 175.02 2ava s LYS 33 N -5.55 1.12 -0.02 2.24 2.20 -1.25 -4.94 119.74 113.54 2ava s LYS 33 Ca -0.09 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 2ava s LYS 33 Cb 0.23 -2.02 -0.04 0.00 -1.51 0.00 0.00 37.83 34.49 2ava s LYS 33 CO 0.79 -0.51 0.02 1.28 -0.36 0.00 0.00 175.35 176.57 2ava n LEU 34 N 4.93 0.00 0.00 5.43 7.99 -1.26 -4.84 117.00 129.25 2ava n LEU 34 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 2ava n LEU 34 Cb 0.47 0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.83 2ava n LEU 34 CO 0.15 0.05 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 2ava n GLY 35 N 2.69 0.00 3.34 -0.72 0.00 -1.26 -5.17 105.19 104.07 2ava n GLY 35 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -1.09 -0.06 4.61 0.00 -1.26 -5.04 121.76 118.91 2ava s ALA 36 Ca 0.00 0.35 0.13 0.00 0.00 0.00 0.00 51.96 52.44 2ava s ALA 36 Cb 0.00 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.54 2ava s ALA 36 CO 0.00 -0.49 1.42 -0.44 0.00 0.00 0.00 175.76 176.24 2ava h ASP 37 N 2.87 0.00 -3.68 0.00 3.32 -2.02 -3.45 116.42 113.46 2ava h ASP 37 Ca -0.31 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.23 2ava h ASP 37 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 2ava h ASP 37 CO 0.43 0.63 0.36 -0.44 -1.72 0.00 0.00 179.24 178.51 2ava s SER 38 N -6.53 7.57 -0.12 6.45 0.01 -1.26 -4.99 113.70 114.83 2ava s SER 38 Ca 0.03 1.90 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 2ava s SER 38 Cb 0.08 -2.60 -0.17 0.00 0.21 0.00 0.00 66.02 63.55 2ava s SER 38 CO 0.76 0.06 0.52 -0.07 0.41 0.00 0.00 173.24 174.91 2ava h LEU 39 N 4.71 -0.01 0.77 2.44 3.38 -1.92 -3.48 115.31 121.21 2ava h LEU 39 Ca -0.44 -0.63 -0.39 0.00 0.09 0.00 0.00 57.88 56.51 2ava h LEU 39 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2ava h LEU 39 CO 0.70 0.80 -0.58 0.47 0.09 0.00 0.00 178.44 179.91 2ava n ASP 40 N -4.68 -5.03 0.09 -0.43 9.92 -1.26 -4.86 116.55 110.30 2ava n ASP 40 Ca -0.06 -0.33 -0.02 0.00 -0.53 0.00 0.00 54.79 53.84 2ava n ASP 40 Cb 0.31 -4.10 0.21 0.00 -0.64 0.00 0.00 41.12 36.90 2ava n ASP 40 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2ava h THR 41 N -1.21 1.32 -0.84 -3.53 2.02 -1.94 -2.97 112.91 105.74 2ava h THR 41 Ca -0.48 -1.56 0.06 0.00 0.77 0.00 0.00 66.41 65.19 2ava h THR 41 Cb 1.33 1.71 -0.05 0.00 -1.74 0.00 0.00 68.15 69.40 2ava h THR 41 CO 0.55 0.47 0.55 0.58 0.37 0.00 0.00 175.52 178.04 2ava h VAL 42 N 0.20 1.08 0.00 3.16 2.07 -1.91 0.22 116.25 121.07 2ava h VAL 42 Ca 0.02 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.10 2ava h VAL 42 Cb 0.84 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2ava h VAL 42 CO 0.07 0.18 -0.49 -0.33 0.02 0.00 0.00 177.57 177.01 2ava h GLU 43 N 0.97 0.00 0.00 1.57 4.39 -1.91 -2.57 114.58 117.03 2ava h GLU 43 Ca 0.35 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.05 2ava h GLU 43 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2ava h GLU 43 CO -0.12 0.49 -0.00 0.82 -1.16 0.00 0.00 179.01 179.04 2ava h ILE 44 N 0.00 1.22 -0.85 3.13 1.08 -1.13 -3.19 117.51 117.77 2ava h ILE 44 Ca -0.00 -1.90 0.15 0.00 -0.39 0.00 0.00 64.86 62.71 2ava h ILE 44 Cb 0.93 2.30 -0.06 0.00 -3.07 0.00 0.00 36.82 36.92 2ava h ILE 44 CO 0.06 0.41 0.55 1.62 -0.69 0.00 0.00 178.15 180.11 2ava h VAL 45 N -0.99 0.81 -0.46 1.67 3.04 -0.70 -0.88 116.25 118.74 2ava h VAL 45 Ca -0.00 -0.20 -0.03 0.00 -1.01 0.00 0.00 66.70 65.46 2ava h VAL 45 Cb 0.68 0.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.12 2ava h VAL 45 CO 0.00 0.11 0.17 0.24 -1.01 0.00 0.00 177.57 177.08 2ava h MET 46 N 0.58 0.69 0.20 4.17 2.86 -1.57 0.52 114.93 122.38 2ava h MET 46 Ca 0.43 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2ava h MET 46 Cb 0.80 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.34 2ava h MET 46 CO -0.18 0.64 -0.15 -0.91 1.06 0.00 0.00 176.91 177.37 2ava h ASN 47 N 0.60 -0.39 0.11 1.22 4.21 -1.16 0.25 115.58 120.42 2ava h ASN 47 Ca 0.15 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.69 2ava h ASN 47 Cb 0.21 0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.54 2ava h ASN 47 CO -0.01 -0.24 -0.05 -0.07 -1.29 0.00 0.00 177.43 175.77 2ava h LEU 48 N -0.36 -0.12 -2.02 1.61 3.38 -1.38 0.16 115.31 116.58 2ava h LEU 48 Ca -0.01 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2ava h LEU 48 Cb 0.32 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ava h LEU 48 CO -0.00 -0.00 0.06 -0.08 0.09 0.00 0.00 178.44 178.50 2ava h GLU 49 N -0.23 0.00 0.09 1.13 4.81 -0.80 -0.04 114.58 119.53 2ava h GLU 49 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2ava h GLU 49 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2ava h GLU 49 CO 0.02 0.00 -0.04 1.49 -0.73 0.00 0.00 179.01 179.75 2ava h GLU 50 N 0.00 -0.11 0.21 1.92 4.57 0.00 -1.10 114.58 120.07 2ava h GLU 50 Ca 0.04 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.24 2ava h GLU 50 Cb 0.16 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2ava h GLU 50 CO -0.00 -0.07 -0.49 1.49 -1.18 0.00 0.00 179.01 178.75 2ava h GLU 51 N -0.83 -0.76 0.00 1.92 4.57 -0.61 -1.06 114.58 117.82 2ava h GLU 51 Ca -0.01 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2ava h GLU 51 Cb 0.09 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2ava h GLU 51 CO 0.02 -0.50 -0.11 0.74 -1.18 0.00 0.00 179.01 177.97 2ava h PHE 52 N -0.78 0.00 -4.35 0.92 0.04 -1.19 -3.47 116.94 108.11 2ava h PHE 52 Ca -0.01 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.53 2ava h PHE 52 Cb 0.77 0.00 0.11 0.00 2.20 0.00 0.00 35.95 39.02 2ava h PHE 52 CO -0.38 0.11 -0.49 0.41 -0.60 0.00 0.00 178.31 177.36 2ava n GLY 53 N -0.71 -0.07 2.40 -1.45 0.00 -0.40 -5.01 105.19 99.95 2ava n GLY 53 Ca -0.02 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.44 0.00 -3.80 -0.61 -5.35 -0.56 -5.01 119.36 100.59 2ava n ILE 54 Ca -0.13 -1.38 -0.28 0.00 -0.27 0.00 0.00 62.75 60.69 2ava n ILE 54 Cb 0.59 -0.21 -0.12 0.00 -1.74 0.00 0.00 39.64 38.16 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 -3.04 4.05 -0.11 7.28 6.03 -1.26 -4.80 114.94 123.09 2ava s ASN 55 Ca 0.20 -3.42 -0.02 0.00 -1.03 0.00 0.00 52.86 48.60 2ava s ASN 55 Cb -0.02 -1.37 -0.03 0.00 -3.03 0.00 0.00 41.25 36.81 2ava s ASN 55 CO 0.13 -0.15 -0.04 0.54 -2.03 0.00 0.00 177.10 175.55 2ava s VAL 56 N -0.77 3.92 0.53 3.54 0.11 -1.26 -5.02 120.40 121.44 2ava s VAL 56 Ca 0.24 -0.38 -0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2ava s VAL 56 Cb -0.10 -2.66 0.02 0.00 -1.53 0.00 0.00 36.38 32.11 2ava s VAL 56 CO -0.12 0.56 0.77 -0.62 -3.33 0.00 0.00 175.10 172.36 2ava s ASP 57 N -0.37 5.52 0.35 3.54 -1.08 -1.26 -4.94 116.67 118.43 2ava s ASP 57 Ca 0.06 0.25 0.04 0.00 -0.52 0.00 0.00 52.55 52.38 2ava s ASP 57 Cb -0.12 -1.28 0.66 0.00 -1.46 0.00 0.00 42.92 40.71 2ava s ASP 57 CO 0.02 -0.98 1.94 1.05 0.52 0.00 0.00 175.17 177.72 2ava h GLU 58 N 0.12 0.60 0.00 4.34 4.11 -2.00 -0.61 114.58 121.15 2ava h GLU 58 Ca -0.44 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 58.87 2ava h GLU 58 Cb 1.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 2ava h GLU 58 CO 0.56 0.52 -0.16 -0.44 0.07 0.00 0.00 179.01 179.56 2ava h ASP 59 N 0.60 0.00 -0.02 3.06 3.32 -2.00 -0.07 116.42 121.31 2ava h ASP 59 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2ava h ASP 59 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2ava h ASP 59 CO -0.01 0.16 -0.20 1.17 -1.72 0.00 0.00 179.24 178.64 2ava n LYS 60 N -3.98 1.85 -0.18 3.56 3.00 -0.62 -4.19 118.16 117.59 2ava n LYS 60 Ca -0.02 -1.53 0.08 0.00 -0.00 0.00 0.00 58.31 56.84 2ava n LYS 60 Cb 0.24 -1.46 0.12 0.00 0.00 0.00 0.00 35.03 33.93 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 0.76 2.28 -0.03 3.14 0.00 -0.33 -4.66 120.51 121.67 2ava n ALA 61 Ca 0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 53.44 51.15 2ava n ALA 61 Cb 0.54 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 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 -1.15 0.98 -1.31 0.00 -0.00 -0.13 -4.67 117.38 111.10 2ava n GLN 62 Ca 0.13 0.03 -0.26 0.00 -0.00 0.00 0.00 57.00 56.90 2ava n GLN 62 Cb 0.66 -1.13 0.12 0.00 -0.00 0.00 0.00 30.24 29.88 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 -2.56 5.45 -4.79 2.61 2.03 -1.26 -4.99 116.55 113.04 2ava n ASP 63 Ca -0.11 -3.73 -0.39 0.00 0.52 0.00 0.00 54.79 51.08 2ava n ASP 63 Cb 0.64 -0.81 -0.06 0.00 -0.72 0.00 0.00 41.12 40.17 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 -4.12 4.70 0.00 5.18 -1.09 -1.26 -5.08 121.20 119.53 2ava s ILE 64 Ca 0.58 1.35 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 2ava s ILE 64 Cb 0.47 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 2ava s ILE 64 CO 0.03 0.50 0.00 -0.24 -1.23 0.00 0.00 174.94 174.00 2ava n SER 65 N 2.01 -0.08 -3.59 3.58 2.88 -1.26 -4.91 113.62 112.25 2ava n SER 65 Ca -0.08 -0.95 -0.21 0.00 -1.33 0.00 0.00 58.87 56.30 2ava n SER 65 Cb 0.50 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 64.14 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 -2.02 0.00 -0.28 2.46 5.66 -1.26 -3.90 114.28 114.93 2ava n THR 66 Ca 0.00 -0.05 0.30 0.00 -3.05 0.00 0.00 64.05 61.25 2ava n THR 66 Cb 0.00 -0.58 0.69 0.00 -1.55 0.00 0.00 70.33 68.89 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 0.22 1.09 5.03 -1.65 0.32 117.51 120.20 2ava h ILE 67 Ca -0.29 -0.03 0.01 0.00 -0.12 0.00 0.00 64.86 64.43 2ava h ILE 67 Cb 0.89 0.37 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 2ava h ILE 67 CO 0.18 0.02 -0.37 1.56 -0.68 0.00 0.00 178.15 178.86 2ava h GLN 68 N 0.10 -0.64 -0.05 2.37 1.08 -0.84 0.35 115.11 117.47 2ava h GLN 68 Ca 0.53 0.04 -0.20 0.00 -1.45 0.00 0.00 58.65 57.57 2ava h GLN 68 Cb 1.93 0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 29.50 2ava h GLN 68 CO -0.07 -0.43 -0.82 0.37 -0.95 0.00 0.00 178.83 176.93 2ava h GLN 69 N -0.66 0.42 -0.24 1.46 4.15 -1.45 -3.11 115.11 115.66 2ava h GLN 69 Ca 0.01 -0.38 0.05 0.00 0.77 0.00 0.00 58.65 59.09 2ava h GLN 69 Cb 0.65 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 2ava h GLN 69 CO -0.15 1.04 -0.06 0.00 -1.93 0.00 0.00 178.83 177.73 2ava h ALA 70 N 0.84 0.16 -0.90 3.38 0.00 -0.74 -0.03 119.26 121.98 2ava h ALA 70 Ca -0.05 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2ava h ALA 70 Cb 1.43 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 2ava h ALA 70 CO 0.14 -0.47 0.49 0.00 0.00 0.00 0.00 179.25 179.41 2ava h ALA 71 N 1.24 1.15 -0.19 0.00 0.00 -0.99 -1.86 119.26 118.61 2ava h ALA 71 Ca 0.12 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ava h ALA 71 Cb 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2ava h ALA 71 CO -0.24 0.66 0.10 0.22 0.00 0.00 0.00 179.25 179.98 2ava h ASP 72 N 1.25 0.24 0.63 0.00 3.58 -1.31 -0.76 116.42 120.06 2ava h ASP 72 Ca 0.31 -0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 2ava h ASP 72 Cb 0.03 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.02 2ava h ASP 72 CO -0.05 0.27 -0.35 0.58 -2.88 0.00 0.00 179.24 176.81 2ava h VAL 73 N 0.19 0.29 -1.00 2.25 2.07 -0.79 -2.74 116.25 116.54 2ava h VAL 73 Ca 0.07 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.72 2ava h VAL 73 Cb 0.08 0.29 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 2ava h VAL 73 CO -0.01 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.60 2ava h ILE 74 N -0.91 0.87 -0.84 4.57 2.04 -1.33 -0.95 117.51 120.96 2ava h ILE 74 Ca -0.08 -0.32 0.16 0.00 1.00 0.00 0.00 64.86 65.62 2ava h ILE 74 Cb 0.72 -0.14 -0.10 0.00 -0.74 0.00 0.00 36.82 36.57 2ava h ILE 74 CO 0.11 0.17 0.40 -0.33 0.00 0.00 0.00 178.15 178.50 2ava h GLU 75 N 0.93 0.54 -0.15 2.37 5.08 -0.83 0.06 114.58 122.57 2ava h GLU 75 Ca 0.51 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.69 2ava h GLU 75 Cb 0.59 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2ava h GLU 75 CO -0.28 0.36 -0.54 0.78 -1.00 0.00 0.00 179.01 178.33 2ava h GLY 76 N 0.55 0.48 2.00 -3.84 0.00 -1.01 -2.80 103.07 98.44 2ava h GLY 76 Ca 0.47 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2ava h GLY 76 CO -0.40 0.49 0.00 1.04 0.00 0.00 0.00 176.54 177.68 2ava n LEU 77 N -3.95 0.43 0.21 3.11 4.77 -0.16 -0.32 117.00 121.09 2ava n LEU 77 Ca -0.03 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 2ava n LEU 77 Cb 0.59 -0.49 0.15 0.00 -2.33 0.00 0.00 43.42 41.34 2ava n LEU 77 CO 0.46 -0.31 0.74 -0.07 -1.33 0.00 0.00 177.39 176.88 2ava h LEU 78 N 0.00 0.00 0.00 2.23 3.38 -0.81 -3.35 115.31 116.76 2ava h LEU 78 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2ava h LEU 78 Cb 0.44 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2ava h LEU 78 CO 0.00 0.03 -2.25 -0.62 0.09 0.00 0.00 178.44 175.69 2ava n GLU 79 N -3.08 0.55 0.03 1.13 1.02 -1.04 -5.00 120.64 114.24 2ava n GLU 79 Ca 0.04 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2ava n GLU 79 Cb 0.54 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2ava n GLU 79 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2ava n LYS 80 N -3.16 0.00 -3.63 3.49 -0.00 -0.73 -5.15 118.16 108.98 2ava n LYS 80 Ca -0.39 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 57.93 2ava n LYS 80 Cb 0.91 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 35.94 2ava n LYS 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2ava s LYS 81 N -2.00 0.46 0.00 -1.58 -2.85 0.57 -4.79 119.74 109.55 2ava s LYS 81 Ca 0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.72 2ava s LYS 81 Cb 0.00 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 2ava s LYS 81 CO 0.00 -0.21 0.32 0.00 0.10 0.00 0.00 175.35 175.56