#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y n SER 2 N 0.00 -1.21 0.00 6.12 7.64 -1.26 -5.09 113.62 119.82 1l7y n SER 2 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1l7y n SER 2 Cb 0.00 1.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.51 1l7y n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1l7y n GLY 3 N -0.08 0.79 3.33 0.23 0.00 -1.26 -5.00 105.19 103.19 1l7y n GLY 3 Ca 0.00 -0.05 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 1l7y n GLY 3 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1l7y s GLY 4 N -0.73 2.76 0.23 -0.02 0.00 -1.26 -5.03 107.32 103.27 1l7y s GLY 4 Ca 0.00 -3.41 0.05 0.00 0.00 0.00 0.00 44.72 41.36 1l7y s GLY 4 CO 0.00 1.27 -0.06 -1.59 0.00 0.00 0.00 173.10 172.72 1l7y s THR 5 N -0.08 1.34 -0.02 0.90 2.01 -1.26 -5.11 115.64 113.42 1l7y s THR 5 Ca 0.20 -2.09 -0.30 0.00 0.31 0.00 0.00 61.69 59.81 1l7y s THR 5 Cb -0.10 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.11 1l7y s THR 5 CO -0.09 -0.43 1.51 0.00 -0.69 0.00 0.00 174.62 174.92 1l7y s ALA 6 N -3.22 3.62 -0.51 7.40 0.00 -1.26 -4.95 121.76 122.85 1l7y s ALA 6 Ca 0.26 0.91 -0.28 0.00 0.00 0.00 0.00 51.96 52.85 1l7y s ALA 6 Cb 0.04 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.50 1l7y s ALA 6 CO 0.08 -1.13 1.45 0.00 0.00 0.00 0.00 175.76 176.17 1l7y s ALA 7 N 3.08 2.85 0.31 0.00 0.00 -1.26 -4.99 121.76 121.75 1l7y s ALA 7 Ca 0.68 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.19 1l7y s ALA 7 Cb -0.32 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 18.70 1l7y s ALA 7 CO 0.27 -2.80 0.49 0.95 0.00 0.00 0.00 175.76 174.67 1l7y s THR 8 N 6.06 5.15 -1.97 0.00 -4.23 -1.26 -5.01 115.64 114.38 1l7y s THR 8 Ca 0.57 -0.63 0.18 0.00 -1.18 0.00 0.00 61.69 60.63 1l7y s THR 8 Cb -0.12 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.93 1l7y s THR 8 CO 0.28 -0.49 1.00 0.41 -0.54 0.00 0.00 174.62 175.28 1l7y n THR 9 N -1.67 0.00 -0.02 3.99 -1.04 -1.26 -4.30 114.28 109.98 1l7y n THR 9 Ca -0.06 -0.42 -0.06 0.00 -2.04 0.00 0.00 64.05 61.47 1l7y n THR 9 Cb 0.56 1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 70.35 1l7y n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y n ALA 10 N 0.51 2.11 -2.93 2.41 0.00 -1.26 -4.82 120.51 116.54 1l7y n ALA 10 Ca 0.09 -0.39 -0.35 0.00 0.00 0.00 0.00 53.44 52.80 1l7y n ALA 10 Cb 0.41 0.20 -0.02 0.00 0.00 0.00 0.00 19.45 20.05 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 2.52 5.59 3.23 0.00 0.00 -1.26 -4.98 105.19 110.29 1l7y n GLY 11 Ca -0.10 -2.70 -0.11 0.00 0.00 0.00 0.00 46.02 43.11 1l7y n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1l7y s SER 12 N -2.29 -0.45 0.18 1.61 0.01 -1.26 -4.80 113.70 106.70 1l7y s SER 12 Ca 0.41 0.80 0.10 0.00 1.31 0.00 0.00 55.95 58.57 1l7y s SER 12 Cb 0.19 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 67.08 1l7y s SER 12 CO -0.07 -0.18 -0.16 -0.54 0.41 0.00 0.00 173.24 172.70 1l7y s LYS 13 N 1.13 1.82 -0.15 12.44 1.02 -1.26 -3.82 119.74 130.92 1l7y s LYS 13 Ca -0.08 -1.36 -0.03 0.00 0.02 0.00 0.00 55.97 54.53 1l7y s LYS 13 Cb -0.08 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 1l7y s LYS 13 CO -0.09 0.43 -0.07 0.14 -0.92 0.00 0.00 175.35 174.83 1l7y s VAL 14 N -1.63 3.61 0.10 3.17 -7.23 0.80 -4.92 120.40 114.29 1l7y s VAL 14 Ca 0.23 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 59.93 1l7y s VAL 14 Cb -0.09 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1l7y s VAL 14 CO 0.13 0.50 0.26 0.28 -0.31 0.00 0.00 175.10 175.96 1l7y s THR 15 N 0.37 5.34 -0.03 5.32 -1.32 -1.26 -2.51 115.64 121.55 1l7y s THR 15 Ca -0.06 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.03 1l7y s THR 15 Cb -0.15 -3.66 0.01 0.00 -1.51 0.00 0.00 72.50 67.19 1l7y s THR 15 CO 0.04 0.06 -0.08 -0.36 -2.21 0.00 0.00 174.62 172.06 1l7y s PHE 16 N -1.60 0.94 -0.38 9.09 0.08 -0.24 -4.40 117.98 121.46 1l7y s PHE 16 Ca 0.36 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 1l7y s PHE 16 Cb -0.12 -0.70 0.07 0.00 -0.57 0.00 0.00 43.02 41.70 1l7y s PHE 16 CO 0.28 -0.13 0.18 0.21 -0.10 0.00 0.00 175.22 175.66 1l7y s LYS 17 N 0.36 2.46 -0.13 0.44 2.20 0.22 -0.80 119.74 124.48 1l7y s LYS 17 Ca -0.06 -1.44 -0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1l7y s LYS 17 Cb -0.10 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 1l7y s LYS 17 CO 0.01 -0.86 -0.12 0.42 -0.36 0.00 0.00 175.35 174.43 1l7y s ILE 18 N 1.34 3.10 0.19 5.43 1.09 -0.73 -0.73 121.20 130.89 1l7y s ILE 18 Ca 0.02 -0.64 0.11 0.00 -1.10 0.00 0.00 60.65 59.04 1l7y s ILE 18 Cb -0.22 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.83 1l7y s ILE 18 CO 0.01 0.52 -0.21 0.28 -0.10 0.00 0.00 174.94 175.44 1l7y s THR 19 N 0.40 2.54 0.26 2.92 -1.32 -1.14 -0.30 115.64 119.00 1l7y s THR 19 Ca -0.10 -1.94 -0.30 0.00 -1.21 0.00 0.00 61.69 58.15 1l7y s THR 19 Cb -0.16 -2.22 -0.10 0.00 -1.51 0.00 0.00 72.50 68.51 1l7y s THR 19 CO 0.05 -0.10 1.47 -0.22 -2.21 0.00 0.00 174.62 173.60 1l7y s LEU 20 N -2.68 4.38 -0.22 9.08 2.96 -1.26 0.16 118.68 131.10 1l7y s LEU 20 Ca 0.21 2.73 -0.11 0.00 -0.22 0.00 0.00 54.13 56.75 1l7y s LEU 20 Cb -0.08 -3.63 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 1l7y s LEU 20 CO 0.11 -0.74 -0.28 0.41 -1.32 0.00 0.00 176.35 174.53 1l7y n THR 21 N 2.19 1.20 0.05 3.68 -1.04 -0.57 -4.65 114.28 115.14 1l7y n THR 21 Ca 0.07 -0.31 -0.11 0.00 -2.04 0.00 0.00 64.05 61.66 1l7y n THR 21 Cb 0.40 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 67.07 1l7y n THR 21 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1l7y h SER 22 N -0.78 -0.46 -3.40 8.00 0.02 -1.92 -3.42 113.55 111.59 1l7y h SER 22 Ca -0.56 0.07 -0.66 0.00 -0.84 0.00 0.00 61.79 59.80 1l7y h SER 22 Cb 1.49 0.19 -0.14 0.00 0.14 0.00 0.00 62.40 64.09 1l7y h SER 22 CO -0.33 -0.22 -0.66 -1.81 -1.14 0.00 0.00 176.83 172.67 1l7y s ASP 23 N -4.99 4.99 0.32 3.07 1.11 -1.26 -5.00 116.67 114.91 1l7y s ASP 23 Ca -0.15 -0.10 0.25 0.00 0.18 0.00 0.00 52.55 52.73 1l7y s ASP 23 Cb 0.09 -1.23 0.72 0.00 1.07 0.00 0.00 42.92 43.57 1l7y s ASP 23 CO 0.66 0.24 1.73 1.55 1.18 0.00 0.00 175.17 180.53 1l7y h PRO 24 N 3.99 0.00 -7.43 8.23 0.13 -1.86 -3.43 132.00 131.63 1l7y h PRO 24 Ca -0.48 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.20 1l7y h PRO 24 Cb 1.17 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.45 1l7y h PRO 24 CO 0.58 0.00 0.23 0.15 -0.23 0.00 0.00 178.00 178.73 1l7y s LYS 25 N -3.21 0.41 0.22 0.86 1.02 -1.26 -4.86 119.74 112.93 1l7y s LYS 25 Ca 0.08 0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.37 1l7y s LYS 25 Cb 0.09 -1.75 0.00 0.00 -0.52 0.00 0.00 37.83 35.65 1l7y s LYS 25 CO 0.59 -2.69 0.00 1.28 -0.92 0.00 0.00 175.35 173.61 1l7y n LEU 26 N -4.11 -5.27 -4.82 3.17 4.32 -1.26 -4.73 117.00 104.30 1l7y n LEU 26 Ca 0.07 2.51 -0.30 0.00 -0.02 0.00 0.00 56.01 58.27 1l7y n LEU 26 Cb 0.58 -2.43 0.09 0.00 -1.62 0.00 0.00 43.42 40.04 1l7y n LEU 26 CO 0.55 -0.94 0.72 -2.16 -1.22 0.00 0.00 177.39 174.34 1l7y s PRO 27 N -1.85 2.12 0.75 3.23 0.04 -1.26 -4.48 135.00 133.55 1l7y s PRO 27 Ca 0.00 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.51 1l7y s PRO 27 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1l7y s PRO 27 CO 0.00 -1.58 1.10 -0.59 0.04 0.00 0.00 177.00 175.96 1l7y s PHE 28 N -3.20 2.55 -0.05 0.56 -0.12 -1.26 -4.65 117.98 111.81 1l7y s PHE 28 Ca 0.61 1.56 0.06 0.00 -0.05 0.00 0.00 56.93 59.11 1l7y s PHE 28 Cb -0.14 -3.09 -0.01 0.00 -0.63 0.00 0.00 43.02 39.16 1l7y s PHE 28 CO 0.54 -1.81 -0.23 0.15 -0.05 0.00 0.00 175.22 173.81 1l7y s LYS 29 N -4.71 2.36 -0.24 1.99 3.01 0.59 -4.95 119.74 117.79 1l7y s LYS 29 Ca 0.63 -0.85 -0.10 0.00 -1.01 0.00 0.00 55.97 54.64 1l7y s LYS 29 Cb -0.18 -2.03 -0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1l7y s LYS 29 CO 0.53 0.37 0.13 0.08 0.51 0.00 0.00 175.35 176.97 1l7y s VAL 30 N -0.16 5.08 -0.29 3.17 1.01 -1.26 -1.78 120.40 126.18 1l7y s VAL 30 Ca -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1l7y s VAL 30 Cb -0.13 -3.37 0.04 0.00 0.00 0.00 0.00 36.38 32.92 1l7y s VAL 30 CO 0.03 0.35 -0.00 -0.76 0.00 0.00 0.00 175.10 174.72 1l7y s LEU 31 N 1.13 3.69 -0.37 3.92 1.43 0.02 -4.92 118.68 123.58 1l7y s LEU 31 Ca 0.06 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 51.98 1l7y s LEU 31 Cb -0.14 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1l7y s LEU 31 CO 0.05 -0.21 0.24 -0.94 0.23 0.00 0.00 176.35 175.72 1l7y s SER 32 N 1.32 5.93 0.05 2.29 1.04 -1.26 -1.08 113.70 121.99 1l7y s SER 32 Ca -0.02 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 1l7y s SER 32 Cb -0.18 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.81 1l7y s SER 32 CO -0.01 -0.36 0.03 0.68 0.98 0.00 0.00 173.24 174.56 1l7y s VAL 33 N 1.65 0.18 0.69 5.02 -7.23 -1.04 -4.99 120.40 114.67 1l7y s VAL 33 Ca 0.04 -1.52 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 1l7y s VAL 33 Cb -0.18 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1l7y s VAL 33 CO 0.09 -0.84 1.06 -2.16 -0.31 0.00 0.00 175.10 172.94 1l7y s PRO 34 N -3.52 2.94 0.58 4.82 0.04 -1.26 -0.14 135.00 138.45 1l7y s PRO 34 Ca 0.03 1.01 0.27 0.00 0.04 0.00 0.00 61.00 62.36 1l7y s PRO 34 Cb 0.05 -1.99 1.67 0.00 0.04 0.00 0.00 34.50 34.27 1l7y s PRO 34 CO -0.09 -1.10 2.17 1.05 0.04 0.00 0.00 177.00 179.07 1l7y h GLU 35 N -0.57 0.00 -0.64 4.56 9.09 -1.92 -1.33 114.58 123.77 1l7y h GLU 35 Ca -0.44 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.91 1l7y h GLU 35 Cb 1.21 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.28 1l7y h GLU 35 CO 0.56 0.00 0.18 0.77 0.05 0.00 0.00 179.01 180.57 1l7y h SER 36 N 0.00 0.92 -2.72 3.06 0.02 -1.91 -3.27 113.55 109.64 1l7y h SER 36 Ca 0.05 -0.17 -0.53 0.00 -0.84 0.00 0.00 61.79 60.30 1l7y h SER 36 Cb 0.25 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 62.58 1l7y h SER 36 CO -0.00 0.87 0.96 -0.89 -1.14 0.00 0.00 176.83 176.64 1l7y s THR 37 N -5.31 2.90 0.69 -2.27 2.01 -0.50 -4.79 115.64 108.37 1l7y s THR 37 Ca -0.11 0.47 -0.11 0.00 0.31 0.00 0.00 61.69 62.25 1l7y s THR 37 Cb 0.15 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1l7y s THR 37 CO 0.82 0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 173.67 1l7y s PRO 38 N 2.19 3.01 0.53 4.92 0.04 -1.26 -1.06 135.00 143.37 1l7y s PRO 38 Ca 0.73 0.69 0.35 0.00 0.04 0.00 0.00 61.00 62.81 1l7y s PRO 38 Cb -0.41 -2.02 1.65 0.00 0.04 0.00 0.00 34.50 33.76 1l7y s PRO 38 CO 0.32 -0.98 2.04 0.35 0.04 0.00 0.00 177.00 178.78 1l7y h PHE 39 N -0.62 0.00 -0.59 0.56 3.57 -0.44 -2.55 116.94 116.87 1l7y h PHE 39 Ca -0.45 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 1l7y h PHE 39 Cb 1.22 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.94 1l7y h PHE 39 CO 0.57 0.00 0.37 1.79 -2.23 0.00 0.00 178.31 178.81 1l7y h THR 40 N 0.00 1.17 0.02 4.41 1.35 -1.77 0.22 112.91 118.30 1l7y h THR 40 Ca 0.00 -0.36 -0.25 0.00 -0.55 0.00 0.00 66.41 65.26 1l7y h THR 40 Cb 0.27 0.35 0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1l7y h THR 40 CO 0.00 0.17 -1.01 0.00 -0.25 0.00 0.00 175.52 174.43 1l7y h ALA 41 N 1.19 0.25 0.21 6.62 0.00 -1.85 -1.93 119.26 123.75 1l7y h ALA 41 Ca 0.21 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1l7y h ALA 41 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1l7y h ALA 41 CO -0.04 0.78 -0.10 0.28 0.00 0.00 0.00 179.25 180.17 1l7y h VAL 42 N 0.27 0.83 -0.48 0.00 2.07 -1.22 -0.73 116.25 116.99 1l7y h VAL 42 Ca -0.11 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1l7y h VAL 42 Cb 1.66 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 1l7y h VAL 42 CO 0.18 0.04 0.18 0.25 0.02 0.00 0.00 177.57 178.25 1l7y h LEU 43 N -0.37 0.62 0.22 2.57 6.46 -0.66 -1.07 115.31 123.09 1l7y h LEU 43 Ca -0.03 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.28 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1l7y h LEU 43 CO 0.05 0.57 -0.11 0.50 -0.62 0.00 0.00 178.44 178.83 1l7y h LYS 44 N 0.68 -0.29 -0.50 1.25 1.63 -0.90 0.36 116.57 118.80 1l7y h LYS 44 Ca 0.16 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.94 1l7y h LYS 44 Cb 0.15 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.83 1l7y h LYS 44 CO -0.01 -0.17 0.12 0.35 -3.45 0.00 0.00 179.45 176.29 1l7y h PHE 45 N -0.34 0.84 -0.38 1.91 3.57 -0.91 -1.54 116.94 120.10 1l7y h PHE 45 Ca -0.03 -0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 1l7y h PHE 45 Cb 0.26 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1l7y h PHE 45 CO -0.05 0.74 0.23 0.00 -2.23 0.00 0.00 178.31 177.01 1l7y h ALA 46 N 0.99 0.48 -0.62 2.41 0.00 -1.07 -1.40 119.26 120.05 1l7y h ALA 46 Ca 0.16 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1l7y h ALA 46 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1l7y h ALA 46 CO 0.00 -0.04 0.19 0.00 0.00 0.00 0.00 179.25 179.40 1l7y h ALA 47 N 1.11 0.82 -0.87 0.00 0.00 -0.80 -1.28 119.26 118.24 1l7y h ALA 47 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1l7y h ALA 47 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 1l7y h ALA 47 CO -0.03 0.50 0.52 0.93 0.00 0.00 0.00 179.25 181.17 1l7y h GLU 48 N 0.90 1.18 -0.18 0.00 3.07 -0.97 0.61 114.58 119.19 1l7y h GLU 48 Ca 0.20 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.83 1l7y h GLU 48 Cb 0.30 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1l7y h GLU 48 CO -0.00 0.83 -0.41 0.93 -1.40 0.00 0.00 179.01 178.95 1l7y h GLU 49 N 1.20 0.43 -0.00 2.33 5.08 -0.97 -2.48 114.58 120.16 1l7y h GLU 49 Ca 0.31 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1l7y h GLU 49 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1l7y h GLU 49 CO -0.06 0.77 -0.02 1.19 -1.00 0.00 0.00 179.01 179.89 1l7y n PHE 50 N -4.02 0.00 -2.77 4.33 3.72 -0.51 -4.90 117.46 113.31 1l7y n PHE 50 Ca -0.02 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 1l7y n PHE 50 Cb 0.51 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.90 -3.14 -4.22 -1.08 3.00 -0.25 -5.03 118.16 106.53 1l7y n LYS 51 Ca 0.20 0.52 -0.19 0.00 -0.00 0.00 0.00 58.31 58.85 1l7y n LYS 51 Cb 0.19 -4.58 -0.11 0.00 0.00 0.00 0.00 35.03 30.52 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1l7y s VAL 52 N -2.95 1.30 -0.23 3.15 -7.23 0.04 -5.02 120.40 109.47 1l7y s VAL 52 Ca 0.20 -1.59 -0.29 0.00 -1.81 0.00 0.00 61.98 58.49 1l7y s VAL 52 Cb -0.09 -1.40 -0.01 0.00 0.56 0.00 0.00 36.38 35.44 1l7y s VAL 52 CO 0.25 -0.33 1.37 -2.16 -0.31 0.00 0.00 175.10 173.91 1l7y s PRO 53 N -2.34 4.01 0.44 4.82 0.04 -1.26 -3.83 135.00 136.88 1l7y s PRO 53 Ca 0.06 1.51 0.13 0.00 0.04 0.00 0.00 61.00 62.74 1l7y s PRO 53 Cb -0.07 -3.88 0.99 0.00 0.04 0.00 0.00 34.50 31.59 1l7y s PRO 53 CO 0.03 -1.00 2.00 0.00 0.04 0.00 0.00 177.00 178.07 1l7y h ALA 54 N 9.21 1.70 -0.94 8.56 0.00 -1.87 -2.43 119.26 133.48 1l7y h ALA 54 Ca -0.28 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1l7y h ALA 54 Cb 1.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1l7y h ALA 54 CO 1.00 0.22 0.62 0.00 0.00 0.00 0.00 179.25 181.10 1l7y h ALA 55 N 1.81 1.37 -1.13 0.00 0.00 -1.96 -2.83 119.26 116.51 1l7y h ALA 55 Ca 0.01 -0.05 -0.61 0.00 0.00 0.00 0.00 54.91 54.26 1l7y h ALA 55 Cb 0.28 -0.36 -0.39 0.00 0.00 0.00 0.00 17.79 17.32 1l7y h ALA 55 CO 0.02 0.56 -0.38 2.41 0.00 0.00 0.00 179.25 181.86 1l7y n THR 56 N -4.42 2.71 -4.17 0.00 -1.04 -0.94 -5.02 114.28 101.40 1l7y n THR 56 Ca 0.12 -4.40 -0.11 0.00 -2.04 0.00 0.00 64.05 57.62 1l7y n THR 56 Cb 0.06 -1.21 -0.10 0.00 -1.82 0.00 0.00 70.33 67.26 1l7y n THR 56 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1l7y s SER 57 N -3.09 1.20 0.11 8.00 0.15 -1.04 -1.85 113.70 117.18 1l7y s SER 57 Ca 0.51 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 56.18 1l7y s SER 57 Cb 0.42 0.07 -0.03 0.00 -1.71 0.00 0.00 66.02 64.77 1l7y s SER 57 CO -0.12 -0.42 0.07 0.00 1.20 0.00 0.00 173.24 173.98 1l7y s ALA 58 N -3.33 0.58 -0.12 5.45 0.00 -0.50 -4.81 121.76 119.02 1l7y s ALA 58 Ca 0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.80 1l7y s ALA 58 Cb 0.03 0.68 0.02 0.00 0.00 0.00 0.00 23.12 23.85 1l7y s ALA 58 CO -0.03 -0.48 -0.10 0.42 0.00 0.00 0.00 175.76 175.57 1l7y s ILE 59 N -3.99 1.20 0.45 0.00 1.01 -1.03 -1.11 121.20 117.74 1l7y s ILE 59 Ca 0.17 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1l7y s ILE 59 Cb 0.07 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.37 1l7y s ILE 59 CO -0.03 0.40 0.62 0.27 0.00 0.00 0.00 174.94 176.20 1l7y s ILE 60 N 1.61 2.91 0.26 2.92 -4.36 0.01 0.54 121.20 125.08 1l7y s ILE 60 Ca 0.04 -0.92 0.07 0.00 -0.26 0.00 0.00 60.65 59.57 1l7y s ILE 60 Cb -0.13 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1l7y s ILE 60 CO -0.09 0.00 0.25 -0.89 0.24 0.00 0.00 174.94 174.46 1l7y s THR 61 N -2.45 4.58 0.58 8.37 2.01 -0.03 0.30 115.64 129.00 1l7y s THR 61 Ca 0.56 -1.29 0.27 0.00 0.31 0.00 0.00 61.69 61.54 1l7y s THR 61 Cb -0.10 -3.50 0.36 0.00 0.01 0.00 0.00 72.50 69.27 1l7y s THR 61 CO 0.34 -0.33 2.08 -1.13 -0.69 0.00 0.00 174.62 174.90 1l7y h ASN 62 N 1.38 0.00 0.12 3.53 -1.24 -1.87 -2.07 115.58 115.42 1l7y h ASN 62 Ca -0.49 0.00 -0.19 0.00 0.71 0.00 0.00 56.30 56.33 1l7y h ASN 62 Cb 1.24 0.00 0.02 0.00 0.73 0.00 0.00 38.32 40.31 1l7y h ASN 62 CO 0.60 0.00 -0.81 0.44 -1.29 0.00 0.00 177.43 176.37 1l7y h ASP 63 N 0.00 0.51 0.00 1.15 3.32 -1.94 -3.48 116.42 115.98 1l7y h ASP 63 Ca 0.11 -0.91 0.00 0.00 0.02 0.00 0.00 57.03 56.25 1l7y h ASP 63 Cb 0.55 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1l7y h ASP 63 CO -0.00 1.38 0.00 0.61 -1.72 0.00 0.00 179.24 179.51 1l7y n GLY 64 N 1.54 0.18 3.01 2.75 0.00 -0.78 -5.15 105.19 106.74 1l7y n GLY 64 Ca -0.13 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 1.59 -1.03 1.61 1.01 -1.26 -4.88 120.40 117.45 1l7y s VAL 65 Ca 0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 1l7y s VAL 65 Cb 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1l7y s VAL 65 CO 0.00 0.34 1.83 -0.83 0.00 0.00 0.00 175.10 176.44 1l7y s GLY 66 N 1.45 0.52 0.13 4.51 0.00 -1.26 -0.85 107.32 111.82 1l7y s GLY 66 Ca 0.02 -1.93 -0.31 0.00 0.00 0.00 0.00 44.72 42.51 1l7y s GLY 66 CO -0.10 3.28 1.36 0.14 0.00 0.00 0.00 173.10 177.79 1l7y s VAL 67 N 8.79 3.30 0.31 1.40 1.01 0.19 -4.91 120.40 130.48 1l7y s VAL 67 Ca 0.64 0.97 0.09 0.00 0.00 0.00 0.00 61.98 63.67 1l7y s VAL 67 Cb -0.03 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1l7y s VAL 67 CO 0.01 0.09 0.01 0.20 0.00 0.00 0.00 175.10 175.42 1l7y s ASN 68 N 0.91 4.33 -1.46 3.32 -0.87 -1.26 -2.46 114.94 117.45 1l7y s ASN 68 Ca 0.62 -0.84 -0.11 0.00 -1.57 0.00 0.00 52.86 50.96 1l7y s ASN 68 Cb -0.37 -0.65 -0.06 0.00 -0.02 0.00 0.00 41.25 40.16 1l7y s ASN 68 CO 0.32 -0.14 2.63 -0.81 -2.57 0.00 0.00 177.10 176.53 1l7y n PRO 69 N -0.94 3.19 -0.13 -0.60 -0.04 -1.26 -4.14 135.00 131.08 1l7y n PRO 69 Ca -0.05 -2.19 0.01 0.00 -0.04 0.00 0.00 63.50 61.22 1l7y n PRO 69 Cb 0.61 -2.89 0.01 0.00 -0.04 0.00 0.00 33.50 31.19 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 1.44 -2.18 0.55 0.00 -1.26 -4.39 120.51 119.16 1l7y n ALA 70 Ca 0.66 -0.80 -0.09 0.00 0.00 0.00 0.00 53.44 53.21 1l7y n ALA 70 Cb 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.28 0.89 0.55 0.00 -2.07 -1.26 -5.02 119.66 112.48 1l7y s GLN 71 Ca 0.02 -1.39 -0.17 0.00 -1.82 0.00 0.00 55.36 52.00 1l7y s GLN 71 Cb 0.01 0.25 -0.06 0.00 -1.09 0.00 0.00 33.01 32.12 1l7y s GLN 71 CO 0.00 -0.25 1.04 -1.25 -1.32 0.00 0.00 175.29 173.51 1l7y s PRO 72 N -4.02 3.57 0.33 9.60 0.04 -1.26 0.26 135.00 143.51 1l7y s PRO 72 Ca 0.21 1.22 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1l7y s PRO 72 Cb 0.07 -2.07 0.59 0.00 0.04 0.00 0.00 34.50 33.13 1l7y s PRO 72 CO -0.00 -0.61 1.96 0.00 0.04 0.00 0.00 177.00 178.39 1l7y h ALA 73 N 0.87 1.55 -0.63 8.56 0.00 -1.17 -1.79 119.26 126.65 1l7y h ALA 73 Ca -0.48 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.45 1l7y h ALA 73 Cb 1.21 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1l7y h ALA 73 CO 0.59 0.37 0.34 0.78 0.00 0.00 0.00 179.25 181.32 1l7y h GLY 74 N 0.95 0.92 1.59 0.00 0.00 -1.80 -1.07 103.07 103.65 1l7y h GLY 74 Ca 0.32 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 1l7y h GLY 74 CO -0.10 0.14 -0.43 -0.57 0.00 0.00 0.00 176.54 175.59 1l7y h ASN 75 N 0.64 0.48 -0.52 0.19 -1.24 -1.71 -1.22 115.58 112.20 1l7y h ASN 75 Ca 0.28 -0.22 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1l7y h ASN 75 Cb 0.18 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 1l7y h ASN 75 CO -0.18 0.85 0.29 0.40 -1.29 0.00 0.00 177.43 177.50 1l7y h ILE 76 N 0.37 1.18 -0.13 2.57 1.08 -0.47 0.35 117.51 122.45 1l7y h ILE 76 Ca 0.03 -0.45 -0.20 0.00 -0.39 0.00 0.00 64.86 63.86 1l7y h ILE 76 Cb 0.91 0.52 0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1l7y h ILE 76 CO 0.08 0.19 -0.69 0.15 -0.69 0.00 0.00 178.15 177.19 1l7y h PHE 77 N 0.70 0.94 -0.65 1.37 3.04 -1.14 0.31 116.94 121.51 1l7y h PHE 77 Ca 0.18 -0.42 -0.03 0.00 3.98 0.00 0.00 57.97 61.69 1l7y h PHE 77 Cb 0.04 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.38 1l7y h PHE 77 CO -0.02 1.23 0.30 -0.07 -2.02 0.00 0.00 178.31 177.74 1l7y h LEU 78 N 0.38 0.84 0.00 0.59 3.38 -1.03 -2.09 115.31 117.38 1l7y h LEU 78 Ca -0.05 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 1l7y h LEU 78 Cb 1.32 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1l7y h LEU 78 CO 0.14 0.72 -0.78 1.17 0.09 0.00 0.00 178.44 179.78 1l7y n LYS 79 N -4.34 0.49 -0.08 1.13 4.81 0.09 -4.78 118.16 115.48 1l7y n LYS 79 Ca 0.06 0.50 -0.10 0.00 -0.87 0.00 0.00 58.31 57.90 1l7y n LYS 79 Cb 0.14 -1.67 -0.05 0.00 0.02 0.00 0.00 35.03 33.47 1l7y n LYS 79 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1l7y h HIS 80 N -1.00 0.00 0.00 5.64 3.86 -0.59 -3.51 115.15 119.55 1l7y h HIS 80 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1l7y h HIS 80 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1l7y h HIS 80 CO -0.17 0.52 0.00 0.41 0.86 0.00 0.00 177.93 179.54 1l7y n GLY 81 N 1.58 0.34 0.10 2.45 0.00 -0.18 -4.72 105.19 104.75 1l7y n GLY 81 Ca -0.14 -1.43 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 3.24 -4.57 1.61 2.88 -1.26 -4.23 113.62 111.28 1l7y n SER 82 Ca 0.00 -0.03 -0.40 0.00 -1.33 0.00 0.00 58.87 57.12 1l7y n SER 82 Cb 0.00 -0.11 -0.03 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.75 1.48 -4.24 -1.46 -0.58 -1.26 -0.61 120.64 111.23 1l7y n GLU 83 Ca -0.12 0.26 -0.13 0.00 -0.42 0.00 0.00 57.16 56.75 1l7y n GLU 83 Cb 0.62 -3.33 -0.10 0.00 -0.57 0.00 0.00 31.44 28.06 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 10.30 1.35 0.05 -4.62 1.43 0.10 -3.32 118.68 123.96 1l7y s LEU 84 Ca 1.00 -1.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1l7y s LEU 84 Cb -0.27 0.25 -0.02 0.00 0.03 0.00 0.00 46.19 46.18 1l7y s LEU 84 CO 0.31 -0.79 -0.10 -0.13 0.23 0.00 0.00 176.35 175.86 1l7y s ARG 85 N -4.11 0.64 -0.26 1.70 3.00 0.15 -2.89 118.95 117.18 1l7y s ARG 85 Ca 0.38 -0.80 -0.08 0.00 0.00 0.00 0.00 55.73 55.23 1l7y s ARG 85 Cb 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 34.95 34.49 1l7y s ARG 85 CO 0.12 0.10 0.09 -1.17 0.00 0.00 0.00 175.30 174.44 1l7y s LEU 86 N -1.54 3.54 -0.10 2.53 0.20 0.12 -0.81 118.68 122.61 1l7y s LEU 86 Ca -0.06 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.59 1l7y s LEU 86 Cb -0.10 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1l7y s LEU 86 CO 0.01 -0.04 -0.21 -0.51 -0.29 0.00 0.00 176.35 175.31 1l7y s ILE 87 N 1.63 1.83 -0.09 6.68 2.07 -0.26 -1.51 121.20 131.54 1l7y s ILE 87 Ca 0.06 -0.87 -0.30 0.00 -1.41 0.00 0.00 60.65 58.13 1l7y s ILE 87 Cb -0.15 -1.60 -0.03 0.00 0.13 0.00 0.00 42.46 40.81 1l7y s ILE 87 CO 0.05 0.51 1.20 -2.16 -1.91 0.00 0.00 174.94 172.62 1l7y s PRO 88 N 0.52 4.33 0.21 3.50 0.04 -1.26 -1.41 135.00 140.92 1l7y s PRO 88 Ca -0.16 1.64 -0.14 0.00 0.04 0.00 0.00 61.00 62.39 1l7y s PRO 88 Cb -0.17 -3.61 -0.07 0.00 0.04 0.00 0.00 34.50 30.69 1l7y s PRO 88 CO 0.06 -0.51 0.60 0.50 0.04 0.00 0.00 177.00 177.69 1l7y s ARG 89 N 2.53 3.97 -0.45 4.56 3.52 -0.77 -4.91 118.95 127.40 1l7y s ARG 89 Ca 0.55 0.51 0.09 0.00 -0.13 0.00 0.00 55.73 56.74 1l7y s ARG 89 Cb -0.23 -2.76 0.37 0.00 -1.56 0.00 0.00 34.95 30.77 1l7y s ARG 89 CO 0.19 0.37 0.91 -0.25 -0.81 0.00 0.00 175.30 175.72 1l7y n ASP 90 N 0.33 3.00 -0.07 -2.12 9.92 -1.26 -4.64 116.55 121.71 1l7y n ASP 90 Ca -0.02 -3.35 -0.10 0.00 -0.53 0.00 0.00 54.79 50.79 1l7y n ASP 90 Cb 0.52 -0.56 -0.03 0.00 -0.64 0.00 0.00 41.12 40.41 1l7y n ASP 90 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1l7y n ARG 91 N -0.11 0.42 -0.04 -1.24 1.74 -1.26 -4.81 116.66 111.36 1l7y n ARG 91 Ca 0.28 0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 57.48 1l7y n ARG 91 Cb 0.58 -1.24 -0.04 0.00 -1.02 0.00 0.00 32.46 30.75 1l7y n ARG 91 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1l7y h VAL 92 N -0.79 0.48 0.00 1.55 2.07 -1.96 -3.50 116.25 114.12 1l7y h VAL 92 Ca -0.09 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1l7y h VAL 92 Cb 0.90 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1l7y h VAL 92 CO -0.05 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1l7y n GLY 93 N 1.65 3.17 3.28 2.17 0.00 -1.26 -5.18 105.19 109.02 1l7y n GLY 93 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89