#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y s SER 2 N 0.00 2.49 0.49 7.83 1.04 -1.26 -4.94 113.70 119.35 1l7y s SER 2 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1l7y s SER 2 Cb 0.00 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.01 1l7y s SER 2 CO 0.00 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1l7y n GLY 3 N 4.26 1.04 0.04 7.32 0.00 -1.26 -3.36 105.19 113.23 1l7y n GLY 3 Ca -0.19 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1l7y n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7y n GLY 4 N 0.00 -0.68 3.63 -0.02 0.00 -1.26 -5.08 105.19 101.77 1l7y n GLY 4 Ca 0.00 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 1l7y n GLY 4 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1l7y s THR 5 N -1.78 0.00 0.08 2.61 -1.32 -1.21 -5.03 115.64 108.99 1l7y s THR 5 Ca -0.10 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1l7y s THR 5 Cb 0.01 -2.30 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 1l7y s THR 5 CO 0.15 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.56 1l7y n ALA 6 N -0.43 0.00 -3.83 11.08 0.00 -1.26 -4.18 120.51 121.89 1l7y n ALA 6 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1l7y n ALA 6 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 1l7y n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l7y n ALA 7 N -2.67 0.90 -1.74 0.00 0.00 -1.26 -5.03 120.51 110.70 1l7y n ALA 7 Ca 0.00 -2.25 -0.35 0.00 0.00 0.00 0.00 53.44 50.84 1l7y n ALA 7 Cb 0.00 0.90 0.02 0.00 0.00 0.00 0.00 19.45 20.38 1l7y n ALA 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1l7y s THR 8 N -2.78 2.83 -1.17 0.00 -4.23 -1.26 -4.87 115.64 104.16 1l7y s THR 8 Ca 0.34 0.51 -0.22 0.00 -1.18 0.00 0.00 61.69 61.14 1l7y s THR 8 Cb -0.03 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.59 1l7y s THR 8 CO 0.22 -0.12 1.86 0.42 -0.54 0.00 0.00 174.62 176.45 1l7y s THR 9 N -1.69 3.71 -0.13 3.99 -4.23 -1.26 -4.56 115.64 111.47 1l7y s THR 9 Ca 0.75 -1.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1l7y s THR 9 Cb -0.28 -4.70 -0.07 0.00 1.34 0.00 0.00 72.50 68.79 1l7y s THR 9 CO 0.31 -1.31 -0.14 0.00 -0.54 0.00 0.00 174.62 172.94 1l7y n ALA 10 N 12.45 1.94 -1.44 3.99 0.00 -1.26 -5.08 120.51 131.12 1l7y n ALA 10 Ca 0.45 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1l7y n ALA 10 Cb 0.47 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1l7y n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1l7y n GLY 11 N 2.53 0.67 2.64 0.00 0.00 -1.26 -5.02 105.19 104.75 1l7y n GLY 11 Ca -0.24 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 1l7y n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l7y n SER 12 N -1.33 4.70 -4.27 1.61 7.64 -1.26 -5.04 113.62 115.67 1l7y n SER 12 Ca 0.00 -3.50 -0.17 0.00 1.01 0.00 0.00 58.87 56.21 1l7y n SER 12 Cb 0.48 -0.81 -0.11 0.00 -1.01 0.00 0.00 64.21 62.76 1l7y n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1l7y s LYS 13 N -2.84 1.10 -0.21 1.43 1.02 -1.26 -4.31 119.74 114.68 1l7y s LYS 13 Ca 0.39 -1.37 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 1l7y s LYS 13 Cb 0.15 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1l7y s LYS 13 CO -0.01 0.15 -0.00 0.14 -0.92 0.00 0.00 175.35 174.71 1l7y s VAL 14 N -2.60 3.91 -0.11 3.17 -7.23 0.63 -4.94 120.40 113.23 1l7y s VAL 14 Ca 0.14 -0.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.89 1l7y s VAL 14 Cb -0.02 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 1l7y s VAL 14 CO 0.03 0.42 0.19 -0.89 -0.31 0.00 0.00 175.10 174.54 1l7y s THR 15 N 1.09 5.41 -0.06 5.32 2.01 -1.26 -2.55 115.64 125.61 1l7y s THR 15 Ca 0.02 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.40 1l7y s THR 15 Cb -0.14 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1l7y s THR 15 CO 0.01 0.59 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.96 1l7y s PHE 16 N -0.85 2.12 -0.43 4.92 0.08 -0.05 -4.44 117.98 119.33 1l7y s PHE 16 Ca 0.16 -0.67 -0.07 0.00 0.12 0.00 0.00 56.93 56.47 1l7y s PHE 16 Cb -0.13 -1.41 0.10 0.00 -0.57 0.00 0.00 43.02 41.01 1l7y s PHE 16 CO 0.05 -0.23 0.27 0.21 -0.10 0.00 0.00 175.22 175.42 1l7y s LYS 17 N 0.03 2.40 -0.18 0.44 2.36 0.00 -1.02 119.74 123.77 1l7y s LYS 17 Ca -0.06 -1.65 -0.07 0.00 -2.55 0.00 0.00 55.97 51.63 1l7y s LYS 17 Cb -0.14 -3.76 -0.04 0.00 -1.05 0.00 0.00 37.83 32.85 1l7y s LYS 17 CO 0.04 -1.06 0.05 0.42 1.55 0.00 0.00 175.35 176.35 1l7y s ILE 18 N 1.32 4.62 -0.21 5.43 1.09 -0.60 -0.49 121.20 132.36 1l7y s ILE 18 Ca 0.05 -0.09 -0.06 0.00 -1.10 0.00 0.00 60.65 59.45 1l7y s ILE 18 Cb -0.24 -3.08 -0.02 0.00 -1.06 0.00 0.00 42.46 38.05 1l7y s ILE 18 CO -0.01 0.45 0.02 -0.89 -0.10 0.00 0.00 174.94 174.41 1l7y s THR 19 N 0.49 4.02 0.34 2.92 2.01 -0.70 -0.28 115.64 124.43 1l7y s THR 19 Ca 0.02 -0.28 -0.28 0.00 0.31 0.00 0.00 61.69 61.45 1l7y s THR 19 Cb -0.13 -2.84 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 1l7y s THR 19 CO 0.01 0.41 1.31 -0.22 -0.69 0.00 0.00 174.62 175.43 1l7y s LEU 20 N 1.19 4.41 -0.34 4.42 2.96 -0.22 -0.91 118.68 130.19 1l7y s LEU 20 Ca 0.03 2.68 0.11 0.00 -0.22 0.00 0.00 54.13 56.74 1l7y s LEU 20 Cb -0.14 -3.67 0.46 0.00 0.50 0.00 0.00 46.19 43.33 1l7y s LEU 20 CO 0.02 -0.56 1.11 0.35 -1.32 0.00 0.00 176.35 175.95 1l7y n THR 21 N 0.74 2.00 0.12 3.68 -2.24 -0.47 -4.86 114.28 113.25 1l7y n THR 21 Ca 0.00 -4.04 0.00 0.00 -2.27 0.00 0.00 64.05 57.74 1l7y n THR 21 Cb 0.42 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1l7y n THR 21 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1l7y n SER 22 N -0.50 -2.02 -4.82 3.42 7.64 -1.26 -4.93 113.62 111.14 1l7y n SER 22 Ca 0.30 0.45 -0.35 0.00 1.01 0.00 0.00 58.87 60.27 1l7y n SER 22 Cb 0.81 2.12 -0.06 0.00 -1.01 0.00 0.00 64.21 66.07 1l7y n SER 22 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1l7y s ASP 23 N -1.68 7.05 0.33 6.43 1.01 -1.26 -4.97 116.67 123.57 1l7y s ASP 23 Ca 0.00 1.48 0.17 0.00 0.71 0.00 0.00 52.55 54.92 1l7y s ASP 23 Cb 0.00 -2.45 0.33 0.00 1.01 0.00 0.00 42.92 41.81 1l7y s ASP 23 CO 0.00 -0.05 1.56 1.55 0.21 0.00 0.00 175.17 178.44 1l7y h PRO 24 N 3.08 0.00 -6.25 8.23 0.13 -1.97 -3.45 132.00 131.77 1l7y h PRO 24 Ca -0.48 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.10 1l7y h PRO 24 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1l7y h PRO 24 CO 0.65 0.43 1.10 0.15 -0.23 0.00 0.00 178.00 180.10 1l7y s LYS 25 N -3.20 4.05 -0.02 0.86 3.01 -1.26 -4.36 119.74 118.83 1l7y s LYS 25 Ca 0.03 2.03 -0.02 0.00 -1.01 0.00 0.00 55.97 57.00 1l7y s LYS 25 Cb 0.09 -4.00 0.01 0.00 -1.01 0.00 0.00 37.83 32.91 1l7y s LYS 25 CO 0.72 -0.99 0.03 -0.11 0.51 0.00 0.00 175.35 175.51 1l7y n LEU 26 N 7.58 -4.88 -0.02 3.17 7.94 -1.26 -4.75 117.00 124.78 1l7y n LEU 26 Ca 0.18 1.74 -0.16 0.00 -1.11 0.00 0.00 56.01 56.66 1l7y n LEU 26 Cb 0.44 -2.43 -0.11 0.00 0.53 0.00 0.00 43.42 41.84 1l7y n LEU 26 CO 0.63 -2.01 0.35 1.55 -1.11 0.00 0.00 177.39 176.80 1l7y h PRO 27 N 2.68 0.27 -4.53 1.96 0.13 -1.89 -3.42 132.00 127.19 1l7y h PRO 27 Ca -0.08 -0.28 -0.22 0.00 -0.87 0.00 0.00 66.00 64.56 1l7y h PRO 27 Cb 0.18 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 31.23 1l7y h PRO 27 CO 0.00 0.98 -0.64 -0.59 -0.23 0.00 0.00 178.00 177.51 1l7y s PHE 28 N -3.22 1.00 -0.10 1.56 -0.71 -1.26 -1.05 117.98 114.20 1l7y s PHE 28 Ca -0.15 -1.23 -0.05 0.00 -1.04 0.00 0.00 56.93 54.47 1l7y s PHE 28 Cb 0.02 -0.55 0.05 0.00 -1.21 0.00 0.00 43.02 41.33 1l7y s PHE 28 CO 0.77 -0.49 0.23 0.21 -1.34 0.00 0.00 175.22 174.61 1l7y s LYS 29 N -4.05 0.18 -0.25 1.99 2.36 0.61 -4.93 119.74 115.65 1l7y s LYS 29 Ca 0.27 0.54 -0.09 0.00 -2.55 0.00 0.00 55.97 54.14 1l7y s LYS 29 Cb 0.07 -0.12 -0.04 0.00 -1.05 0.00 0.00 37.83 36.69 1l7y s LYS 29 CO 0.05 -0.18 0.13 0.08 1.55 0.00 0.00 175.35 176.97 1l7y s VAL 30 N 1.42 4.95 -0.27 4.02 1.01 -1.26 -1.56 120.40 128.71 1l7y s VAL 30 Ca -0.08 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1l7y s VAL 30 Cb -0.11 -3.32 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1l7y s VAL 30 CO -0.08 0.32 -0.02 -0.76 0.00 0.00 0.00 175.10 174.56 1l7y s LEU 31 N 1.39 3.42 -0.43 3.92 1.43 -0.19 -4.96 118.68 123.27 1l7y s LEU 31 Ca 0.06 -0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 52.17 1l7y s LEU 31 Cb -0.15 -1.72 0.08 0.00 0.03 0.00 0.00 46.19 44.43 1l7y s LEU 31 CO 0.06 -0.16 0.30 -0.55 0.23 0.00 0.00 176.35 176.23 1l7y s SER 32 N 1.35 5.80 0.10 2.29 0.15 -1.26 -0.87 113.70 121.26 1l7y s SER 32 Ca 0.00 -1.45 0.02 0.00 0.70 0.00 0.00 55.95 55.22 1l7y s SER 32 Cb -0.17 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1l7y s SER 32 CO -0.02 -0.57 -0.07 0.68 1.20 0.00 0.00 173.24 174.46 1l7y s VAL 33 N 1.49 0.74 0.78 4.45 -7.23 -1.06 -4.99 120.40 114.58 1l7y s VAL 33 Ca 0.03 -1.95 -0.11 0.00 -1.81 0.00 0.00 61.98 58.14 1l7y s VAL 33 Cb -0.23 -1.71 0.06 0.00 0.56 0.00 0.00 36.38 35.06 1l7y s VAL 33 CO 0.04 -0.86 1.09 -2.16 -0.31 0.00 0.00 175.10 172.90 1l7y s PRO 34 N -3.83 2.22 0.51 4.82 0.04 -1.26 -0.27 135.00 137.23 1l7y s PRO 34 Ca 0.12 0.72 0.17 0.00 0.04 0.00 0.00 61.00 62.06 1l7y s PRO 34 Cb 0.05 -1.93 1.27 0.00 0.04 0.00 0.00 34.50 33.93 1l7y s PRO 34 CO -0.04 -1.55 2.13 0.93 0.04 0.00 0.00 177.00 178.51 1l7y h GLU 35 N -1.04 0.00 -0.79 4.56 3.07 -1.93 -1.94 114.58 116.51 1l7y h GLU 35 Ca -0.46 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1l7y h GLU 35 Cb 1.26 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.13 1l7y h GLU 35 CO 0.58 0.03 0.48 0.77 -1.40 0.00 0.00 179.01 179.48 1l7y h SER 36 N 0.00 0.94 -2.65 1.42 0.02 -1.94 -3.26 113.55 108.08 1l7y h SER 36 Ca -0.00 -0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.37 1l7y h SER 36 Cb 0.06 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.39 1l7y h SER 36 CO 0.00 0.72 1.02 -0.89 -1.14 0.00 0.00 176.83 176.55 1l7y s THR 37 N -5.82 2.88 0.64 -2.27 2.01 -0.73 -4.80 115.64 107.55 1l7y s THR 37 Ca -0.11 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.14 1l7y s THR 37 Cb 0.17 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.42 1l7y s THR 37 CO 0.80 0.00 1.04 -2.16 -0.69 0.00 0.00 174.62 173.61 1l7y s PRO 38 N 2.59 3.39 0.59 4.92 0.04 -1.26 -0.98 135.00 144.28 1l7y s PRO 38 Ca 0.76 0.85 0.38 0.00 0.04 0.00 0.00 61.00 63.03 1l7y s PRO 38 Cb -0.42 -2.05 1.89 0.00 0.04 0.00 0.00 34.50 33.96 1l7y s PRO 38 CO 0.33 -0.74 2.16 0.35 0.04 0.00 0.00 177.00 179.14 1l7y h PHE 39 N -0.34 0.00 -0.49 0.56 3.57 -1.07 -2.45 116.94 116.72 1l7y h PHE 39 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 1l7y h PHE 39 Cb 1.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1l7y h PHE 39 CO 0.64 0.00 0.31 1.79 -2.23 0.00 0.00 178.31 178.82 1l7y h THR 40 N 0.00 1.14 -0.08 4.41 1.35 -1.77 0.20 112.91 118.15 1l7y h THR 40 Ca 0.00 -0.27 -0.22 0.00 -0.55 0.00 0.00 66.41 65.37 1l7y h THR 40 Cb 0.22 0.45 0.01 0.00 -1.73 0.00 0.00 68.15 67.09 1l7y h THR 40 CO 0.00 0.13 -0.82 0.00 -0.25 0.00 0.00 175.52 174.58 1l7y h ALA 41 N 1.16 0.40 0.02 6.62 0.00 -1.83 -2.18 119.26 123.45 1l7y h ALA 41 Ca 0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1l7y h ALA 41 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1l7y h ALA 41 CO -0.04 0.73 -0.01 0.28 0.00 0.00 0.00 179.25 180.22 1l7y h VAL 42 N 0.38 1.07 -0.51 0.00 2.07 -1.21 -0.54 116.25 117.50 1l7y h VAL 42 Ca -0.06 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1l7y h VAL 42 Cb 1.44 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1l7y h VAL 42 CO 0.15 0.07 0.15 0.25 0.02 0.00 0.00 177.57 178.21 1l7y h LEU 43 N -0.14 0.70 0.09 2.57 6.46 -0.66 -1.52 115.31 122.81 1l7y h LEU 43 Ca -0.00 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.13 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1l7y h LEU 43 CO 0.00 0.67 -0.04 0.11 -0.62 0.00 0.00 178.44 178.57 1l7y h LYS 44 N 0.74 -0.11 -0.72 1.25 1.57 -1.07 -0.13 116.57 118.09 1l7y h LYS 44 Ca 0.17 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1l7y h LYS 44 Cb 0.23 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1l7y h LYS 44 CO -0.01 0.15 0.45 0.35 -0.57 0.00 0.00 179.45 179.82 1l7y h PHE 45 N -0.37 0.94 -0.18 -1.35 3.57 -0.94 0.11 116.94 118.72 1l7y h PHE 45 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1l7y h PHE 45 Cb 0.31 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 1l7y h PHE 45 CO 0.01 0.62 0.02 0.00 -2.23 0.00 0.00 178.31 176.73 1l7y h ALA 46 N 1.24 0.24 -0.60 2.41 0.00 -1.22 -2.40 119.26 118.93 1l7y h ALA 46 Ca 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1l7y h ALA 46 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1l7y h ALA 46 CO -0.05 -0.08 0.09 0.00 0.00 0.00 0.00 179.25 179.21 1l7y h ALA 47 N 0.80 1.03 -0.35 0.00 0.00 -0.80 -0.50 119.26 119.44 1l7y h ALA 47 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1l7y h ALA 47 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1l7y h ALA 47 CO 0.01 0.62 0.23 0.93 0.00 0.00 0.00 179.25 181.04 1l7y h GLU 48 N 0.91 0.47 0.00 0.00 3.07 -0.67 -0.89 114.58 117.47 1l7y h GLU 48 Ca 0.18 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 1l7y h GLU 48 Cb 0.41 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 1l7y h GLU 48 CO 0.01 0.32 -0.50 0.93 -1.40 0.00 0.00 179.01 178.37 1l7y h GLU 49 N 0.47 0.00 0.00 2.33 3.07 -1.26 -2.85 114.58 116.34 1l7y h GLU 49 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1l7y h GLU 49 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1l7y h GLU 49 CO -0.03 0.50 0.00 1.19 -1.40 0.00 0.00 179.01 179.27 1l7y n PHE 50 N -3.59 0.00 -2.85 4.33 3.72 -0.21 -4.79 117.46 114.07 1l7y n PHE 50 Ca -0.00 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1l7y n PHE 50 Cb 0.58 -0.22 0.03 0.00 -0.94 0.00 0.00 39.48 38.93 1l7y n PHE 50 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1l7y n LYS 51 N -1.22 -3.21 -4.11 -1.08 4.81 -0.67 -4.80 118.16 107.88 1l7y n LYS 51 Ca 0.16 0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 57.92 1l7y n LYS 51 Cb 0.21 -4.23 -0.10 0.00 0.02 0.00 0.00 35.03 30.92 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1l7y s VAL 52 N -3.01 0.52 -0.10 3.15 -7.23 -0.43 -5.05 120.40 108.25 1l7y s VAL 52 Ca 0.22 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1l7y s VAL 52 Cb -0.10 -1.25 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 1l7y s VAL 52 CO 0.28 -0.74 1.21 -2.16 -0.31 0.00 0.00 175.10 173.38 1l7y s PRO 53 N -3.06 4.31 0.29 4.82 0.04 -1.26 -4.00 135.00 136.14 1l7y s PRO 53 Ca 0.03 1.64 0.05 0.00 0.04 0.00 0.00 61.00 62.76 1l7y s PRO 53 Cb 0.00 -3.63 0.43 0.00 0.04 0.00 0.00 34.50 31.35 1l7y s PRO 53 CO -0.04 -0.53 1.70 0.00 0.04 0.00 0.00 177.00 178.17 1l7y h ALA 54 N 7.69 1.09 -0.43 8.56 0.00 -1.88 0.13 119.26 134.41 1l7y h ALA 54 Ca -0.31 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.15 1l7y h ALA 54 Cb 1.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1l7y h ALA 54 CO 0.91 0.58 0.02 0.00 0.00 0.00 0.00 179.25 180.76 1l7y h ALA 55 N 1.34 1.24 -0.31 0.00 0.00 -1.96 -2.79 119.26 116.77 1l7y h ALA 55 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1l7y h ALA 55 Cb 0.77 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1l7y h ALA 55 CO 0.06 0.51 0.00 2.41 0.00 0.00 0.00 179.25 182.23 1l7y n THR 56 N -4.25 0.47 -4.01 0.00 -1.04 -1.12 -4.97 114.28 99.36 1l7y n THR 56 Ca 0.02 -0.73 -0.25 0.00 -2.04 0.00 0.00 64.05 61.05 1l7y n THR 56 Cb 0.26 0.99 -0.04 0.00 -1.82 0.00 0.00 70.33 69.73 1l7y n THR 56 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1l7y s SER 57 N -1.37 5.99 0.03 8.00 0.01 0.02 -1.96 113.70 124.41 1l7y s SER 57 Ca 0.32 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.61 1l7y s SER 57 Cb 0.19 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.70 1l7y s SER 57 CO 0.27 0.03 -0.06 0.00 0.41 0.00 0.00 173.24 173.89 1l7y s ALA 58 N -1.82 0.44 -0.28 1.44 0.00 0.48 -4.75 121.76 117.27 1l7y s ALA 58 Ca 0.33 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.57 1l7y s ALA 58 Cb -0.10 0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.09 1l7y s ALA 58 CO 0.27 -0.05 0.03 0.42 0.00 0.00 0.00 175.76 176.43 1l7y s ILE 59 N -1.29 3.56 0.41 0.00 1.01 -0.97 -0.74 121.20 123.18 1l7y s ILE 59 Ca -0.10 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.80 1l7y s ILE 59 Cb -0.09 -2.82 0.01 0.00 0.01 0.00 0.00 42.46 39.56 1l7y s ILE 59 CO 0.00 0.13 0.57 0.27 0.00 0.00 0.00 174.94 175.91 1l7y s ILE 60 N 1.44 3.37 0.48 2.92 -4.36 0.72 0.44 121.20 126.21 1l7y s ILE 60 Ca 0.02 -0.92 0.05 0.00 -0.26 0.00 0.00 60.65 59.53 1l7y s ILE 60 Cb -0.17 -3.16 0.02 0.00 1.25 0.00 0.00 42.46 40.40 1l7y s ILE 60 CO -0.00 -0.07 0.67 0.42 0.24 0.00 0.00 174.94 176.20 1l7y s THR 61 N -2.36 2.85 0.29 8.37 -4.23 0.09 0.16 115.64 120.81 1l7y s THR 61 Ca 0.52 -0.83 0.27 0.00 -1.18 0.00 0.00 61.69 60.47 1l7y s THR 61 Cb -0.10 -3.01 0.29 0.00 1.34 0.00 0.00 72.50 71.02 1l7y s THR 61 CO 0.33 -0.00 1.98 0.78 -0.54 0.00 0.00 174.62 177.17 1l7y h ASN 62 N 0.36 0.00 0.05 3.99 2.35 -1.88 -3.13 115.58 117.31 1l7y h ASN 62 Ca -0.41 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.25 1l7y h ASN 62 Cb 1.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1l7y h ASN 62 CO 0.49 0.15 -0.40 0.44 -1.65 0.00 0.00 177.43 176.45 1l7y h ASP 63 N 0.00 0.15 0.00 5.81 3.32 -1.94 -3.48 116.42 120.28 1l7y h ASP 63 Ca -0.00 -0.94 0.00 0.00 0.02 0.00 0.00 57.03 56.11 1l7y h ASP 63 Cb 0.49 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1l7y h ASP 63 CO 0.02 1.18 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 1l7y n GLY 64 N 1.62 -0.34 2.85 2.75 0.00 -1.18 -5.10 105.19 105.79 1l7y n GLY 64 Ca -0.14 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1l7y n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7y s VAL 65 N 0.00 0.81 -1.03 1.61 1.01 -0.66 -4.66 120.40 117.48 1l7y s VAL 65 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 1l7y s VAL 65 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1l7y s VAL 65 CO 0.00 0.25 1.69 -0.83 0.00 0.00 0.00 175.10 176.22 1l7y s GLY 66 N 1.79 0.85 0.12 4.51 0.00 -1.14 -0.73 107.32 112.72 1l7y s GLY 66 Ca 0.04 -2.08 -0.30 0.00 0.00 0.00 0.00 44.72 42.37 1l7y s GLY 66 CO -0.07 3.04 1.18 0.14 0.00 0.00 0.00 173.10 177.39 1l7y s VAL 67 N 7.11 3.85 0.31 1.40 1.01 0.17 -4.91 120.40 129.34 1l7y s VAL 67 Ca 0.57 1.44 0.09 0.00 0.00 0.00 0.00 61.98 64.08 1l7y s VAL 67 Cb -0.02 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1l7y s VAL 67 CO -0.03 0.17 0.07 0.20 0.00 0.00 0.00 175.10 175.51 1l7y s ASN 68 N 0.56 4.58 -1.40 3.32 0.01 -1.26 -2.30 114.94 118.45 1l7y s ASN 68 Ca 0.55 -0.73 -0.11 0.00 -0.71 0.00 0.00 52.86 51.86 1l7y s ASN 68 Cb -0.30 -0.77 -0.06 0.00 0.41 0.00 0.00 41.25 40.53 1l7y s ASN 68 CO 0.32 -0.16 2.58 -0.81 -1.51 0.00 0.00 177.10 177.53 1l7y n PRO 69 N -1.02 3.08 0.00 -0.60 -0.04 -1.26 -4.11 135.00 131.05 1l7y n PRO 69 Ca -0.05 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1l7y n PRO 69 Cb 0.60 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1l7y n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l7y n ALA 70 N 4.49 1.53 -2.52 0.55 0.00 -1.26 -4.31 120.51 118.99 1l7y n ALA 70 Ca 0.65 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.84 1l7y n ALA 70 Cb 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 1l7y n ALA 70 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1l7y s GLN 71 N -1.12 2.13 0.68 0.00 -2.07 -1.26 -4.97 119.66 113.04 1l7y s GLN 71 Ca 0.00 -1.77 -0.11 0.00 -1.82 0.00 0.00 55.36 51.66 1l7y s GLN 71 Cb 0.00 -1.94 -0.00 0.00 -1.09 0.00 0.00 33.01 29.98 1l7y s GLN 71 CO 0.00 0.07 1.06 -1.25 -1.32 0.00 0.00 175.29 173.85 1l7y s PRO 72 N -3.76 3.07 0.28 9.60 0.04 -1.26 -0.58 135.00 142.39 1l7y s PRO 72 Ca 0.36 0.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.24 1l7y s PRO 72 Cb 0.01 -2.01 0.40 0.00 0.04 0.00 0.00 34.50 32.94 1l7y s PRO 72 CO 0.20 -0.98 1.95 0.00 0.04 0.00 0.00 177.00 178.21 1l7y h ALA 73 N -0.63 1.39 -0.71 8.56 0.00 -1.14 -1.83 119.26 124.89 1l7y h ALA 73 Ca -0.44 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1l7y h ALA 73 Cb 1.21 -0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1l7y h ALA 73 CO 0.58 0.56 0.41 0.78 0.00 0.00 0.00 179.25 181.58 1l7y h GLY 74 N 1.18 1.06 1.59 0.00 0.00 -1.79 -1.28 103.07 103.83 1l7y h GLY 74 Ca 0.33 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 1l7y h GLY 74 CO -0.08 0.17 -0.46 -0.57 0.00 0.00 0.00 176.54 175.60 1l7y h ASN 75 N 0.74 0.47 -0.45 0.19 -1.24 -1.74 -1.54 115.58 112.02 1l7y h ASN 75 Ca 0.32 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 1l7y h ASN 75 Cb 0.20 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1l7y h ASN 75 CO -0.19 0.87 0.25 0.40 -1.29 0.00 0.00 177.43 177.47 1l7y h ILE 76 N 0.36 1.16 -0.22 2.57 1.08 -0.47 0.83 117.51 122.81 1l7y h ILE 76 Ca 0.02 -0.39 -0.20 0.00 -0.39 0.00 0.00 64.86 63.91 1l7y h ILE 76 Cb 0.94 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1l7y h ILE 76 CO 0.08 0.16 -0.63 0.15 -0.69 0.00 0.00 178.15 177.22 1l7y h PHE 77 N 0.59 1.01 -0.32 1.37 3.04 -1.23 0.22 116.94 121.61 1l7y h PHE 77 Ca 0.16 -0.39 -0.07 0.00 3.98 0.00 0.00 57.97 61.65 1l7y h PHE 77 Cb 0.04 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 1l7y h PHE 77 CO -0.02 1.21 -0.09 -0.07 -2.02 0.00 0.00 178.31 177.32 1l7y h LEU 78 N 0.58 0.52 0.00 0.59 -0.00 -1.03 -2.42 115.31 113.55 1l7y h LEU 78 Ca -0.01 -0.13 -0.04 0.00 -0.00 0.00 0.00 57.88 57.70 1l7y h LEU 78 Cb 1.24 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 1l7y h LEU 78 CO 0.13 0.65 -0.67 1.17 -0.00 0.00 0.00 178.44 179.72 1l7y n LYS 79 N -4.22 0.47 -0.08 1.13 4.81 0.26 -4.81 118.16 115.73 1l7y n LYS 79 Ca 0.01 0.52 -0.08 0.00 -0.87 0.00 0.00 58.31 57.89 1l7y n LYS 79 Cb 0.31 -1.69 -0.03 0.00 0.02 0.00 0.00 35.03 33.64 1l7y n LYS 79 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1l7y n HIS 80 N -4.58 0.68 0.00 5.64 8.25 0.62 -5.09 115.22 120.75 1l7y n HIS 80 Ca -0.12 0.30 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1l7y n HIS 80 Cb 0.35 -0.74 0.00 0.00 1.12 0.00 0.00 29.99 30.72 1l7y n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1l7y n GLY 81 N 1.55 1.02 0.37 -1.41 0.00 -0.27 -4.76 105.19 101.70 1l7y n GLY 81 Ca -0.12 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.80 1l7y n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1l7y n SER 82 N 0.00 2.23 -4.54 1.61 2.88 -1.26 -4.17 113.62 110.37 1l7y n SER 82 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1l7y n SER 82 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1l7y n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1l7y n GLU 83 N -2.50 1.31 -4.22 -1.46 -0.58 -1.26 -0.82 120.64 111.12 1l7y n GLU 83 Ca 0.00 0.25 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 1l7y n GLU 83 Cb 0.41 -3.04 -0.10 0.00 -0.57 0.00 0.00 31.44 28.14 1l7y n GLU 83 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1l7y s LEU 84 N 9.58 1.26 -0.04 -4.62 1.43 0.36 -3.73 118.68 122.92 1l7y s LEU 84 Ca 1.04 -1.43 -0.04 0.00 -1.03 0.00 0.00 54.13 52.66 1l7y s LEU 84 Cb -0.45 0.37 0.01 0.00 0.03 0.00 0.00 46.19 46.15 1l7y s LEU 84 CO 0.36 -0.86 0.12 -0.13 0.23 0.00 0.00 176.35 176.07 1l7y s ARG 85 N -4.07 0.18 -0.19 1.70 0.52 0.12 -1.72 118.95 115.50 1l7y s ARG 85 Ca 0.39 0.11 -0.07 0.00 -0.52 0.00 0.00 55.73 55.63 1l7y s ARG 85 Cb 0.06 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1l7y s ARG 85 CO 0.14 -0.03 0.06 -1.17 0.02 0.00 0.00 175.30 174.32 1l7y s LEU 86 N -0.09 3.79 -0.02 2.53 0.20 -0.09 -0.20 118.68 124.79 1l7y s LEU 86 Ca -0.02 0.06 -0.00 0.00 0.69 0.00 0.00 54.13 54.86 1l7y s LEU 86 Cb -0.02 -1.96 0.03 0.00 -0.43 0.00 0.00 46.19 43.81 1l7y s LEU 86 CO 0.00 0.16 0.04 -0.51 -0.29 0.00 0.00 176.35 175.76 1l7y s ILE 87 N 0.43 -0.05 -0.93 6.68 2.07 0.08 -1.37 121.20 128.11 1l7y s ILE 87 Ca 0.03 0.18 -0.24 0.00 -1.41 0.00 0.00 60.65 59.21 1l7y s ILE 87 Cb -0.13 -0.09 -0.00 0.00 0.13 0.00 0.00 42.46 42.37 1l7y s ILE 87 CO 0.01 0.07 1.71 -2.16 -1.91 0.00 0.00 174.94 172.65 1l7y s PRO 88 N 0.92 3.02 0.15 3.50 0.04 -1.26 -0.39 135.00 140.98 1l7y s PRO 88 Ca -0.08 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1l7y s PRO 88 Cb -0.11 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1l7y s PRO 88 CO -0.03 -2.80 0.00 -2.13 0.04 0.00 0.00 177.00 172.08 1l7y n ARG 89 N 8.91 -2.22 -3.24 4.56 0.00 -0.83 -4.90 116.66 118.93 1l7y n ARG 89 Ca 0.35 1.65 -0.43 0.00 -0.00 0.00 0.00 57.85 59.42 1l7y n ARG 89 Cb 0.49 -1.75 -0.08 0.00 0.00 0.00 0.00 32.46 31.12 1l7y n ARG 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1l7y s ASP 90 N -1.20 6.25 -0.12 6.15 1.01 -1.26 -4.94 116.67 122.55 1l7y s ASP 90 Ca 0.00 -0.43 -0.07 0.00 0.71 0.00 0.00 52.55 52.75 1l7y s ASP 90 Cb 0.00 -2.26 -0.06 0.00 1.01 0.00 0.00 42.92 41.61 1l7y s ASP 90 CO 0.00 -0.61 0.09 0.03 0.21 0.00 0.00 175.17 174.89 1l7y h ARG 91 N 8.71 0.00 0.00 8.23 -0.00 -1.99 -3.36 114.38 125.97 1l7y h ARG 91 Ca -0.27 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.15 1l7y h ARG 91 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.07 1l7y h ARG 91 CO 0.82 0.21 -0.31 -0.24 0.00 0.00 0.00 179.97 180.44 1l7y h VAL 92 N -1.00 0.55 0.00 2.04 3.04 -2.03 -3.50 116.25 115.35 1l7y h VAL 92 Ca -0.02 -1.71 0.00 0.00 -1.01 0.00 0.00 66.70 63.96 1l7y h VAL 92 Cb 0.33 2.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.82 1l7y h VAL 92 CO -0.01 0.31 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 1l7y n GLY 93 N 1.07 -0.43 3.37 3.17 0.00 -1.26 -5.24 105.19 105.87 1l7y n GLY 93 Ca 0.02 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89