#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 -0.07 -0.04 6.12 0.01 -1.26 -5.06 113.70 113.39 1l7y s SER 2 Ca 0.00 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.41 1l7y s SER 2 Cb 0.00 0.68 -0.25 0.00 0.21 0.00 0.00 66.02 66.66 1l7y s SER 2 CO 0.00 -1.31 0.68 1.23 0.41 0.00 0.00 173.24 174.25 1l7y h GLY 3 N 2.11 0.17 0.00 3.44 0.00 -2.10 -3.48 103.07 103.21 1l7y h GLY 3 Ca -0.24 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1l7y h GLY 3 CO 0.31 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.84 1l7y n GLY 4 N 1.70 -1.84 2.90 4.60 0.00 -1.26 -5.11 105.19 106.17 1l7y n GLY 4 Ca -0.20 0.45 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1l7y n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1l7y s THR 5 N -1.13 1.08 -0.03 2.61 2.01 -1.26 -5.12 115.64 113.80 1l7y s THR 5 Ca 0.00 -0.49 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1l7y s THR 5 Cb 0.00 -1.19 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1l7y s THR 5 CO 0.00 0.23 0.38 0.00 -0.69 0.00 0.00 174.62 174.54 1l7y s ALA 6 N 1.66 3.70 -0.16 7.40 0.00 -1.26 -5.00 121.76 128.10 1l7y s ALA 6 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.74 1l7y s ALA 6 Cb -0.14 -2.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 1l7y s ALA 6 CO -0.08 0.45 -0.12 0.00 0.00 0.00 0.00 175.76 176.00 1l7y n ALA 7 N 2.04 1.65 -1.60 0.00 0.00 -1.26 -4.92 120.51 116.42 1l7y n ALA 7 Ca -0.14 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.15 1l7y n ALA 7 Cb 0.53 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1l7y n ALA 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l7y n THR 8 N -2.92 0.40 -5.14 0.00 -2.24 -1.26 -4.94 114.28 98.18 1l7y n THR 8 Ca -0.28 -0.41 -0.31 0.00 -2.27 0.00 0.00 64.05 60.79 1l7y n THR 8 Cb 0.82 -2.49 -0.17 0.00 -2.10 0.00 0.00 70.33 66.40 1l7y n THR 8 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1l7y s THR 9 N 7.74 1.91 -0.05 4.28 2.01 -1.26 -4.98 115.64 125.29 1l7y s THR 9 Ca 1.00 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 62.09 1l7y s THR 9 Cb -0.38 -1.64 -0.06 0.00 0.01 0.00 0.00 72.50 70.43 1l7y s THR 9 CO 0.37 0.53 0.02 0.00 -0.69 0.00 0.00 174.62 174.85 1l7y n ALA 10 N 3.30 1.87 0.00 7.40 0.00 -1.26 -5.13 120.51 126.70 1l7y n ALA 10 Ca -0.19 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1l7y n ALA 10 Cb 0.53 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.11 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 2.68 0.38 2.99 0.00 0.00 -1.26 -5.00 105.19 104.98 1l7y n GLY 11 Ca -0.09 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.00 3.73 0.20 1.61 0.01 -1.26 -5.12 113.70 108.87 1l7y s SER 12 Ca 0.00 -1.07 0.10 0.00 1.31 0.00 0.00 55.95 56.30 1l7y s SER 12 Cb 0.00 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 1l7y s SER 12 CO 0.00 -0.18 -0.21 -0.54 0.41 0.00 0.00 173.24 172.72 1l7y s LYS 13 N 1.34 1.47 -0.10 12.44 1.02 -1.26 -4.18 119.74 130.47 1l7y s LYS 13 Ca -0.04 -1.55 -0.01 0.00 0.02 0.00 0.00 55.97 54.39 1l7y s LYS 13 Cb -0.18 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 1l7y s LYS 13 CO -0.07 0.33 -0.06 0.14 -0.92 0.00 0.00 175.35 174.77 1l7y s VAL 14 N -2.05 3.75 0.01 3.17 -7.23 0.28 -4.94 120.40 113.38 1l7y s VAL 14 Ca 0.21 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.90 1l7y s VAL 14 Cb -0.06 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1l7y s VAL 14 CO 0.10 0.56 0.23 0.42 -0.31 0.00 0.00 175.10 176.10 1l7y s THR 15 N -0.32 5.36 0.01 5.32 -4.23 -1.26 -2.40 115.64 118.12 1l7y s THR 15 Ca 0.05 -0.01 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 1l7y s THR 15 Cb -0.13 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1l7y s THR 15 CO 0.02 0.32 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.91 1l7y s PHE 16 N -1.34 1.42 -0.32 3.99 0.08 0.13 -4.40 117.98 117.53 1l7y s PHE 16 Ca 0.28 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 57.07 1l7y s PHE 16 Cb -0.13 -0.88 0.09 0.00 -0.57 0.00 0.00 43.02 41.53 1l7y s PHE 16 CO 0.18 0.01 0.04 0.21 -0.10 0.00 0.00 175.22 175.55 1l7y s LYS 17 N -0.66 1.46 -0.20 0.44 2.36 0.44 -0.78 119.74 122.81 1l7y s LYS 17 Ca 0.05 -1.70 -0.10 0.00 -2.55 0.00 0.00 55.97 51.67 1l7y s LYS 17 Cb -0.07 -3.01 -0.05 0.00 -1.05 0.00 0.00 37.83 33.65 1l7y s LYS 17 CO 0.00 -0.90 0.14 0.42 1.55 0.00 0.00 175.35 176.56 1l7y s ILE 18 N 1.02 5.40 -0.18 5.43 1.09 -0.34 -0.34 121.20 133.29 1l7y s ILE 18 Ca 0.08 0.21 -0.01 0.00 -1.10 0.00 0.00 60.65 59.83 1l7y s ILE 18 Cb -0.19 -3.48 0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1l7y s ILE 18 CO -0.10 0.43 -0.14 -0.89 -0.10 0.00 0.00 174.94 174.15 1l7y s THR 19 N 0.41 2.69 0.28 2.92 2.01 -0.51 -0.22 115.64 123.22 1l7y s THR 19 Ca 0.08 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.05 1l7y s THR 19 Cb -0.11 -2.16 -0.10 0.00 0.01 0.00 0.00 72.50 70.14 1l7y s THR 19 CO -0.01 0.50 1.34 -0.22 -0.69 0.00 0.00 174.62 175.54 1l7y s LEU 20 N 1.13 4.41 0.03 4.42 1.98 -1.11 -1.06 118.68 128.49 1l7y s LEU 20 Ca 0.01 2.62 -0.25 0.00 -2.89 0.00 0.00 54.13 53.62 1l7y s LEU 20 Cb -0.14 -3.63 -0.17 0.00 0.66 0.00 0.00 46.19 42.90 1l7y s LEU 20 CO -0.05 -0.58 1.46 0.71 -1.89 0.00 0.00 176.35 176.01 1l7y h THR 21 N 3.32 0.98 0.00 3.68 1.35 -1.89 -3.13 112.91 117.22 1l7y h THR 21 Ca -0.47 -0.49 -0.05 0.00 -0.55 0.00 0.00 66.41 64.85 1l7y h THR 21 Cb 1.22 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 1l7y h THR 21 CO 0.71 0.12 -0.48 0.28 -0.25 0.00 0.00 175.52 175.90 1l7y h SER 22 N -0.41 0.00 -5.37 5.36 0.02 -1.92 -3.49 113.55 107.74 1l7y h SER 22 Ca -0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1l7y h SER 22 Cb 0.33 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.92 1l7y h SER 22 CO 0.03 0.20 -0.21 0.47 -1.14 0.00 0.00 176.83 176.18 1l7y n ASP 23 N -3.03 -7.50 -4.56 3.07 8.00 -1.19 -4.87 116.55 106.47 1l7y n ASP 23 Ca 0.01 -0.22 -0.39 0.00 0.71 0.00 0.00 54.79 54.90 1l7y n ASP 23 Cb 0.62 -5.27 -0.03 0.00 -0.02 0.00 0.00 41.12 36.43 1l7y n ASP 23 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1l7y s PRO 24 N -3.33 3.51 0.00 -0.24 0.04 -1.26 -4.25 135.00 129.46 1l7y s PRO 24 Ca 0.11 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 59.97 1l7y s PRO 24 Cb -0.01 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1l7y s PRO 24 CO 0.74 -2.42 0.00 1.17 0.04 0.00 0.00 177.00 176.54 1l7y n LYS 25 N 8.78 0.00 -4.97 4.56 4.81 -1.26 -4.78 118.16 125.29 1l7y n LYS 25 Ca 0.37 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.49 1l7y n LYS 25 Cb 0.49 -0.15 -0.15 0.00 0.02 0.00 0.00 35.03 35.24 1l7y n LYS 25 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1l7y s LEU 26 N 0.00 2.49 -0.08 3.14 2.96 -1.26 -5.04 118.68 120.88 1l7y s LEU 26 Ca 0.00 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1l7y s LEU 26 Cb 0.00 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1l7y s LEU 26 CO 0.00 0.23 0.19 1.55 -1.32 0.00 0.00 176.35 176.99 1l7y h PRO 27 N 6.23 -0.15 -4.05 0.98 0.13 -1.91 -3.40 132.00 129.84 1l7y h PRO 27 Ca -0.31 0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 64.72 1l7y h PRO 27 Cb 1.19 0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1l7y h PRO 27 CO 0.51 -0.09 -0.50 -0.59 -0.23 0.00 0.00 178.00 177.11 1l7y s PHE 28 N -2.06 0.41 -0.06 1.56 -0.12 -1.26 -2.76 117.98 113.69 1l7y s PHE 28 Ca -0.02 -0.86 0.01 0.00 -0.05 0.00 0.00 56.93 56.01 1l7y s PHE 28 Cb 0.00 -0.22 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 1l7y s PHE 28 CO 0.08 -0.52 -0.06 0.21 -0.05 0.00 0.00 175.22 174.87 1l7y s LYS 29 N -3.92 1.07 -0.23 1.99 2.47 0.70 -4.99 119.74 116.83 1l7y s LYS 29 Ca 0.10 -0.18 -0.09 0.00 -1.56 0.00 0.00 55.97 54.25 1l7y s LYS 29 Cb 0.06 -1.04 -0.04 0.00 -1.46 0.00 0.00 37.83 35.35 1l7y s LYS 29 CO -0.07 -0.08 0.12 0.08 0.16 0.00 0.00 175.35 175.56 1l7y s VAL 30 N 0.98 4.98 -0.20 4.02 1.01 -1.26 -1.20 120.40 128.73 1l7y s VAL 30 Ca -0.10 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1l7y s VAL 30 Cb -0.14 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.94 1l7y s VAL 30 CO 0.00 0.36 -0.14 -0.76 0.00 0.00 0.00 175.10 174.56 1l7y s LEU 31 N 1.09 2.46 -0.37 3.92 1.02 0.04 -4.94 118.68 121.91 1l7y s LEU 31 Ca 0.06 -0.61 -0.08 0.00 0.02 0.00 0.00 54.13 53.51 1l7y s LEU 31 Cb -0.14 -1.57 0.04 0.00 0.02 0.00 0.00 46.19 44.55 1l7y s LEU 31 CO 0.04 -0.02 0.17 -0.55 0.02 0.00 0.00 176.35 176.01 1l7y s SER 32 N 1.34 5.52 0.05 2.29 0.15 -1.26 -0.70 113.70 121.10 1l7y s SER 32 Ca 0.04 -1.17 -0.02 0.00 0.70 0.00 0.00 55.95 55.50 1l7y s SER 32 Cb -0.14 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1l7y s SER 32 CO -0.09 -0.39 0.01 0.68 1.20 0.00 0.00 173.24 174.65 1l7y s VAL 33 N 1.46 0.19 0.74 4.45 -7.23 -1.01 -4.99 120.40 114.02 1l7y s VAL 33 Ca 0.01 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1l7y s VAL 33 Cb -0.20 -1.35 0.04 0.00 0.56 0.00 0.00 36.38 35.43 1l7y s VAL 33 CO 0.04 -0.88 1.08 -2.16 -0.31 0.00 0.00 175.10 172.87 1l7y s PRO 34 N -3.63 2.52 0.59 4.82 0.04 -1.26 -0.56 135.00 137.52 1l7y s PRO 34 Ca 0.04 0.77 0.29 0.00 0.04 0.00 0.00 61.00 62.14 1l7y s PRO 34 Cb 0.05 -1.96 1.78 0.00 0.04 0.00 0.00 34.50 34.42 1l7y s PRO 34 CO -0.09 -1.34 2.22 1.05 0.04 0.00 0.00 177.00 178.88 1l7y h GLU 35 N -0.89 0.00 -0.85 4.56 9.09 -1.90 -1.94 114.58 122.65 1l7y h GLU 35 Ca -0.45 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.93 1l7y h GLU 35 Cb 1.24 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.30 1l7y h GLU 35 CO 0.58 0.00 0.44 0.77 0.05 0.00 0.00 179.01 180.86 1l7y h SER 36 N 0.00 1.09 -2.76 3.06 0.02 -1.93 -3.21 113.55 109.82 1l7y h SER 36 Ca 0.02 -0.12 -0.53 0.00 -0.84 0.00 0.00 61.79 60.32 1l7y h SER 36 Cb 0.11 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.39 1l7y h SER 36 CO -0.00 0.89 0.94 -0.89 -1.14 0.00 0.00 176.83 176.63 1l7y s THR 37 N -5.78 3.13 0.72 -2.27 2.01 -0.73 -4.79 115.64 107.93 1l7y s THR 37 Ca -0.13 0.62 -0.11 0.00 0.31 0.00 0.00 61.69 62.38 1l7y s THR 37 Cb 0.16 -3.40 0.02 0.00 0.01 0.00 0.00 72.50 69.29 1l7y s THR 37 CO 0.83 0.01 1.09 -2.16 -0.69 0.00 0.00 174.62 173.69 1l7y s PRO 38 N 2.32 2.76 0.55 4.92 0.04 -1.26 -1.09 135.00 143.23 1l7y s PRO 38 Ca 0.71 0.58 0.36 0.00 0.04 0.00 0.00 61.00 62.69 1l7y s PRO 38 Cb -0.38 -2.00 1.73 0.00 0.04 0.00 0.00 34.50 33.89 1l7y s PRO 38 CO 0.31 -1.13 2.08 0.35 0.04 0.00 0.00 177.00 178.65 1l7y h PHE 39 N -0.73 0.00 -0.27 0.56 3.57 -1.02 -2.64 116.94 116.41 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 1.25 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1l7y h PHE 39 CO 0.52 0.00 0.18 1.79 -2.23 0.00 0.00 178.31 178.57 1l7y h THR 40 N 0.00 1.07 -0.17 4.41 1.35 -1.81 0.20 112.91 117.96 1l7y h THR 40 Ca 0.00 -0.12 -0.19 0.00 -0.55 0.00 0.00 66.41 65.54 1l7y h THR 40 Cb 0.26 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1l7y h THR 40 CO 0.00 0.07 -0.67 0.00 -0.25 0.00 0.00 175.52 174.66 1l7y h ALA 41 N 1.10 0.50 -0.10 6.62 0.00 -1.86 -1.92 119.26 123.60 1l7y h ALA 41 Ca 0.10 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1l7y h ALA 41 Cb -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1l7y h ALA 41 CO -0.02 0.70 0.06 0.28 0.00 0.00 0.00 179.25 180.27 1l7y h VAL 42 N 0.47 1.09 -0.32 0.00 2.07 -1.24 -0.80 116.25 117.52 1l7y h VAL 42 Ca -0.02 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1l7y h VAL 42 Cb 1.27 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 1l7y h VAL 42 CO 0.13 0.08 -0.14 0.25 0.02 0.00 0.00 177.57 177.91 1l7y h LEU 43 N 0.07 0.55 -0.10 2.57 6.46 -0.65 -1.78 115.31 122.43 1l7y h LEU 43 Ca 0.04 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1l7y h LEU 43 Cb 0.08 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1l7y h LEU 43 CO -0.01 0.71 0.01 0.50 -0.62 0.00 0.00 178.44 179.04 1l7y h LYS 44 N 0.51 0.18 -0.47 1.25 3.64 -1.01 0.03 116.57 120.70 1l7y h LYS 44 Ca 0.09 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1l7y h LYS 44 Cb 0.54 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1l7y h LYS 44 CO 0.03 0.39 0.11 0.35 -2.27 0.00 0.00 179.45 178.06 1l7y h PHE 45 N -0.06 0.80 -0.07 1.91 3.57 -1.06 0.23 116.94 122.26 1l7y h PHE 45 Ca 0.03 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1l7y h PHE 45 Cb 0.30 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1l7y h PHE 45 CO 0.02 0.73 0.02 0.00 -2.23 0.00 0.00 178.31 176.85 1l7y h ALA 46 N 0.98 0.09 -0.53 2.41 0.00 -1.28 -2.46 119.26 118.47 1l7y h ALA 46 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1l7y h ALA 46 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1l7y h ALA 46 CO 0.00 -0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.12 1l7y h ALA 47 N 0.84 1.31 -0.22 0.00 0.00 -0.91 -0.79 119.26 119.50 1l7y h ALA 47 Ca 0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1l7y h ALA 47 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1l7y h ALA 47 CO -0.00 0.50 0.13 1.49 0.00 0.00 0.00 179.25 181.36 1l7y h GLU 48 N 0.77 0.25 0.00 0.00 4.22 -0.71 -1.06 114.58 118.05 1l7y h GLU 48 Ca 0.18 -0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1l7y h GLU 48 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1l7y h GLU 48 CO -0.01 0.17 -0.45 0.93 -2.18 0.00 0.00 179.01 177.47 1l7y h GLU 49 N 0.26 0.00 -0.00 1.92 3.07 -1.20 -2.91 114.58 115.71 1l7y h GLU 49 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1l7y h GLU 49 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1l7y h GLU 49 CO -0.04 0.45 -0.00 1.19 -1.40 0.00 0.00 179.01 179.21 1l7y n PHE 50 N -3.52 0.00 -2.98 4.33 3.72 -0.32 -4.85 117.46 113.84 1l7y n PHE 50 Ca -0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1l7y n PHE 50 Cb 0.57 -0.01 0.04 0.00 -0.94 0.00 0.00 39.48 39.13 1l7y n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1l7y n LYS 51 N -0.88 -4.44 -4.19 -1.08 5.02 -0.75 -4.75 118.16 107.08 1l7y n LYS 51 Ca 0.23 0.68 -0.14 0.00 -2.02 0.00 0.00 58.31 57.06 1l7y n LYS 51 Cb 0.14 -5.10 -0.11 0.00 -0.02 0.00 0.00 35.03 29.95 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1l7y s VAL 52 N -3.09 0.99 -0.08 -0.18 -7.23 -0.48 -5.05 120.40 105.28 1l7y s VAL 52 Ca 0.30 -1.74 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 1l7y s VAL 52 Cb -0.13 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.30 1l7y s VAL 52 CO 0.37 -0.61 1.18 -2.16 -0.31 0.00 0.00 175.10 173.57 1l7y s PRO 53 N -3.04 4.34 0.20 4.82 0.04 -1.26 -4.10 135.00 136.00 1l7y s PRO 53 Ca 0.08 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 1l7y s PRO 53 Cb -0.01 -3.59 0.13 0.00 0.04 0.00 0.00 34.50 31.07 1l7y s PRO 53 CO -0.00 -0.48 1.55 0.00 0.04 0.00 0.00 177.00 178.11 1l7y h ALA 54 N 7.52 0.75 -0.57 8.56 0.00 -1.89 -2.80 119.26 130.83 1l7y h ALA 54 Ca -0.32 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.11 1l7y h ALA 54 Cb 1.15 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1l7y h ALA 54 CO 0.89 0.66 0.27 0.00 0.00 0.00 0.00 179.25 181.08 1l7y h ALA 55 N 0.99 1.41 -0.94 0.00 0.00 -1.96 -2.58 119.26 116.17 1l7y h ALA 55 Ca 0.04 -0.12 -0.64 0.00 0.00 0.00 0.00 54.91 54.19 1l7y h ALA 55 Cb 0.96 -0.23 -0.34 0.00 0.00 0.00 0.00 17.79 18.18 1l7y h ALA 55 CO 0.09 0.47 0.29 2.41 0.00 0.00 0.00 179.25 182.50 1l7y n THR 56 N -4.36 3.23 -4.08 0.00 -1.04 -1.14 -4.98 114.28 101.91 1l7y n THR 56 Ca 0.05 -3.54 -0.07 0.00 -2.04 0.00 0.00 64.05 58.45 1l7y n THR 56 Cb 0.13 -1.17 -0.10 0.00 -1.82 0.00 0.00 70.33 67.37 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 -2.40 0.47 0.18 8.00 0.01 -0.97 -3.38 113.70 115.61 1l7y s SER 57 Ca 0.59 -0.92 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 1l7y s SER 57 Cb 0.47 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.86 1l7y s SER 57 CO -0.04 -0.55 0.22 0.00 0.41 0.00 0.00 173.24 173.28 1l7y s ALA 58 N -3.54 0.49 -0.05 1.44 0.00 0.11 -4.53 121.76 115.68 1l7y s ALA 58 Ca 0.04 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1l7y s ALA 58 Cb 0.05 1.04 0.02 0.00 0.00 0.00 0.00 23.12 24.24 1l7y s ALA 58 CO -0.08 -0.63 -0.05 0.42 0.00 0.00 0.00 175.76 175.42 1l7y s ILE 59 N -4.05 0.63 0.35 0.00 1.01 -1.05 -0.59 121.20 117.50 1l7y s ILE 59 Ca 0.26 -0.16 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1l7y s ILE 59 Cb 0.05 -0.64 -0.02 0.00 0.01 0.00 0.00 42.46 41.86 1l7y s ILE 59 CO 0.05 0.25 0.38 0.27 0.00 0.00 0.00 174.94 175.89 1l7y s ILE 60 N 0.98 3.53 0.46 2.92 -4.36 0.67 0.11 121.20 125.50 1l7y s ILE 60 Ca -0.10 -1.22 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 1l7y s ILE 60 Cb -0.14 -3.21 -0.01 0.00 1.25 0.00 0.00 42.46 40.35 1l7y s ILE 60 CO -0.00 -0.13 0.34 0.28 0.24 0.00 0.00 174.94 175.67 1l7y s THR 61 N -2.29 2.22 -0.04 8.37 -1.32 -0.29 -0.21 115.64 122.07 1l7y s THR 61 Ca 0.44 -1.47 0.31 0.00 -1.21 0.00 0.00 61.69 59.76 1l7y s THR 61 Cb -0.07 -2.70 0.34 0.00 -1.51 0.00 0.00 72.50 68.56 1l7y s THR 61 CO 0.29 0.00 1.92 -1.13 -2.21 0.00 0.00 174.62 173.49 1l7y h ASN 62 N 1.02 0.00 1.86 8.08 -1.24 -1.83 -2.43 115.58 121.04 1l7y h ASN 62 Ca -0.40 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.60 1l7y h ASN 62 Cb 1.28 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.32 1l7y h ASN 62 CO 0.60 0.00 -0.06 0.44 -1.29 0.00 0.00 177.43 177.12 1l7y h ASP 63 N 0.00 0.00 0.00 1.15 3.32 -1.91 -3.47 116.42 115.51 1l7y h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1l7y h ASP 63 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1l7y h ASP 63 CO 0.00 0.06 0.00 0.61 -1.72 0.00 0.00 179.24 178.19 1l7y n GLY 64 N 1.03 0.85 3.09 2.75 0.00 -0.91 -5.12 105.19 106.87 1l7y n GLY 64 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.58 1.37 -1.06 1.61 1.01 -1.26 -4.94 120.40 115.55 1l7y s VAL 65 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 1l7y s VAL 65 Cb 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1l7y s VAL 65 CO 0.00 0.40 1.52 -0.83 0.00 0.00 0.00 175.10 176.19 1l7y s GLY 66 N 0.43 1.26 0.18 4.51 0.00 -1.26 -1.14 107.32 111.30 1l7y s GLY 66 Ca -0.12 -2.33 -0.31 0.00 0.00 0.00 0.00 44.72 41.95 1l7y s GLY 66 CO 0.04 2.74 1.58 0.14 0.00 0.00 0.00 173.10 177.60 1l7y s VAL 67 N 5.14 2.54 0.26 1.40 1.01 0.30 -4.89 120.40 126.15 1l7y s VAL 67 Ca 0.48 0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.94 1l7y s VAL 67 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1l7y s VAL 67 CO -0.07 0.03 0.15 0.20 0.00 0.00 0.00 175.10 175.42 1l7y s ASN 68 N 1.06 5.30 -1.35 3.32 -0.87 -1.26 -2.52 114.94 118.62 1l7y s ASN 68 Ca 0.69 -0.35 -0.14 0.00 -1.57 0.00 0.00 52.86 51.50 1l7y s ASN 68 Cb -0.44 -1.27 -0.02 0.00 -0.02 0.00 0.00 41.25 39.50 1l7y s ASN 68 CO 0.33 -0.04 2.32 -0.81 -2.57 0.00 0.00 177.10 176.33 1l7y n PRO 69 N -1.12 2.76 0.00 -0.60 -0.04 -1.26 -3.96 135.00 130.79 1l7y n PRO 69 Ca -0.07 -2.33 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1l7y n PRO 69 Cb 0.58 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 5.69 2.34 -1.38 0.55 0.00 -1.26 -4.10 120.51 122.35 1l7y n ALA 70 Ca 0.57 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.69 1l7y n ALA 70 Cb 0.34 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.86 1l7y n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1l7y s GLN 71 N -1.59 2.52 0.54 0.00 1.11 -1.25 -4.62 119.66 116.37 1l7y s GLN 71 Ca 0.00 1.23 -0.17 0.00 0.01 0.00 0.00 55.36 56.43 1l7y s GLN 71 Cb 0.00 -1.93 -0.06 0.00 -1.01 0.00 0.00 33.01 30.01 1l7y s GLN 71 CO 0.00 -1.45 1.02 -1.25 0.01 0.00 0.00 175.29 173.62 1l7y s PRO 72 N -4.61 3.70 0.33 2.91 0.04 -1.26 -0.46 135.00 135.65 1l7y s PRO 72 Ca 0.63 1.10 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1l7y s PRO 72 Cb -0.18 -2.09 0.73 0.00 0.04 0.00 0.00 34.50 33.00 1l7y s PRO 72 CO 0.50 -0.49 1.85 0.00 0.04 0.00 0.00 177.00 178.91 1l7y h ALA 73 N 0.84 1.73 -0.04 8.56 0.00 -1.11 0.17 119.26 129.41 1l7y h ALA 73 Ca -0.47 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.47 1l7y h ALA 73 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1l7y h ALA 73 CO 0.60 0.01 -0.03 0.78 0.00 0.00 0.00 179.25 180.61 1l7y h GLY 74 N 0.79 0.01 1.44 0.00 0.00 -1.82 -0.74 103.07 102.75 1l7y h GLY 74 Ca 0.48 0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.72 1l7y h GLY 74 CO -0.24 -0.04 -0.36 -0.57 0.00 0.00 0.00 176.54 175.33 1l7y h ASN 75 N -0.04 0.65 -0.57 0.19 -0.73 -1.68 -1.36 115.58 112.04 1l7y h ASN 75 Ca 0.03 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 1l7y h ASN 75 Cb 0.07 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.46 1l7y h ASN 75 CO -0.06 0.95 0.33 0.40 -0.37 0.00 0.00 177.43 178.67 1l7y h ILE 76 N 0.52 1.18 -0.04 2.57 1.08 -0.64 0.33 117.51 122.51 1l7y h ILE 76 Ca 0.05 -0.43 -0.19 0.00 -0.39 0.00 0.00 64.86 63.91 1l7y h ILE 76 Cb 0.86 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1l7y h ILE 76 CO 0.07 0.19 -0.79 0.15 -0.69 0.00 0.00 178.15 177.08 1l7y h PHE 77 N 0.76 0.45 -0.33 1.37 3.57 -1.06 0.14 116.94 121.85 1l7y h PHE 77 Ca 0.20 -0.22 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 1l7y h PHE 77 Cb 0.01 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1l7y h PHE 77 CO -0.02 0.99 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.50 1l7y h LEU 78 N 0.20 0.97 0.00 0.59 3.38 -0.93 -2.64 115.31 116.88 1l7y h LEU 78 Ca -0.04 -0.48 -0.24 0.00 0.09 0.00 0.00 57.88 57.21 1l7y h LEU 78 Cb 1.38 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 1l7y h LEU 78 CO 0.13 1.28 -1.36 1.17 0.09 0.00 0.00 178.44 179.74 1l7y n LYS 79 N -4.03 0.56 -0.06 1.13 4.81 0.08 -4.75 118.16 115.90 1l7y n LYS 79 Ca -0.03 0.53 -0.03 0.00 -0.87 0.00 0.00 58.31 57.90 1l7y n LYS 79 Cb 0.59 -1.71 -0.01 0.00 0.02 0.00 0.00 35.03 33.93 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 -0.96 -3.51 115.15 119.18 1l7y h HIS 80 Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 1l7y h HIS 80 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1l7y h HIS 80 CO 0.04 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.24 1l7y n GLY 81 N 1.67 0.05 0.31 2.45 0.00 -0.37 -4.82 105.19 104.48 1l7y n GLY 81 Ca -0.05 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 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 2.21 -4.58 1.61 2.88 -1.26 -4.25 113.62 110.22 1l7y n SER 82 Ca 0.00 0.02 -0.41 0.00 -1.33 0.00 0.00 58.87 57.16 1l7y n SER 82 Cb 0.00 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.21 1l7y n SER 82 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1l7y s GLU 83 N -2.19 2.79 0.11 -1.46 -6.30 -1.26 -0.42 118.70 109.97 1l7y s GLU 83 Ca -0.14 1.67 0.01 0.00 -2.50 0.00 0.00 54.97 54.01 1l7y s GLU 83 Cb 0.04 -4.42 -0.04 0.00 0.00 0.00 0.00 34.13 29.71 1l7y s GLU 83 CO 0.21 -2.49 -0.03 -0.51 0.02 0.00 0.00 175.26 172.46 1l7y s LEU 84 N 9.44 2.34 0.09 2.70 1.43 0.54 -2.63 118.68 132.59 1l7y s LEU 84 Ca 0.95 -1.06 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1l7y s LEU 84 Cb -0.25 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1l7y s LEU 84 CO 0.31 -0.55 -0.17 -0.13 0.23 0.00 0.00 176.35 176.04 1l7y s ARG 85 N -3.89 0.99 -0.26 1.70 0.52 0.70 -1.43 118.95 117.28 1l7y s ARG 85 Ca 0.15 -1.09 -0.09 0.00 -0.52 0.00 0.00 55.73 54.18 1l7y s ARG 85 Cb 0.06 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.40 1l7y s ARG 85 CO -0.03 0.25 0.11 -1.17 0.02 0.00 0.00 175.30 174.48 1l7y s LEU 86 N -1.91 3.67 0.26 2.53 0.20 -0.22 -0.24 118.68 122.97 1l7y s LEU 86 Ca 0.03 -0.12 0.11 0.00 0.69 0.00 0.00 54.13 54.85 1l7y s LEU 86 Cb -0.09 -2.00 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 1l7y s LEU 86 CO 0.03 -0.03 -0.19 0.27 -0.29 0.00 0.00 176.35 176.14 1l7y s ILE 87 N 1.60 2.36 -0.67 6.68 -4.36 0.24 -2.97 121.20 124.08 1l7y s ILE 87 Ca 0.06 -2.36 -0.27 0.00 -0.26 0.00 0.00 60.65 57.82 1l7y s ILE 87 Cb -0.15 -2.25 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1l7y s ILE 87 CO 0.06 -0.42 1.45 -2.16 0.24 0.00 0.00 174.94 174.12 1l7y s PRO 88 N -3.49 3.07 0.25 0.37 0.04 -1.26 -0.72 135.00 133.26 1l7y s PRO 88 Ca 0.28 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1l7y s PRO 88 Cb -0.05 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1l7y s PRO 88 CO 0.14 -2.26 0.00 -2.13 0.04 0.00 0.00 177.00 172.78 1l7y n ARG 89 N 9.19 -2.12 0.08 4.56 3.00 -1.22 -4.86 116.66 125.30 1l7y n ARG 89 Ca 0.09 1.59 -0.20 0.00 -0.00 0.00 0.00 57.85 59.33 1l7y n ARG 89 Cb 0.50 -1.81 -0.15 0.00 0.00 0.00 0.00 32.46 31.00 1l7y n ARG 89 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 1l7y h ASP 90 N 0.68 0.53 -5.49 6.15 1.82 -1.85 -3.42 116.42 114.84 1l7y h ASP 90 Ca 0.00 -0.73 -0.28 0.00 -0.39 0.00 0.00 57.03 55.62 1l7y h ASP 90 Cb 0.06 -0.17 0.18 0.00 0.68 0.00 0.00 39.33 40.08 1l7y h ASP 90 CO 0.00 1.61 -0.80 0.54 -1.61 0.00 0.00 179.24 178.98 1l7y n ARG 91 N -3.53 -4.18 -2.48 0.28 1.74 -1.26 -4.95 116.66 102.27 1l7y n ARG 91 Ca -0.20 0.85 -0.13 0.00 -0.77 0.00 0.00 57.85 57.60 1l7y n ARG 91 Cb 1.06 -5.78 0.03 0.00 -1.02 0.00 0.00 32.46 26.75 1l7y n ARG 91 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1l7y n VAL 92 N -3.60 1.82 0.00 1.55 0.24 -1.26 -4.92 118.33 112.16 1l7y n VAL 92 Ca -0.17 -3.65 0.00 0.00 -2.04 0.00 0.00 64.34 58.48 1l7y n VAL 92 Cb 0.64 0.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 1l7y n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1l7y n GLY 93 N -0.55 0.81 0.74 7.63 0.00 -1.26 -5.24 105.19 107.32 1l7y n GLY 93 Ca 0.24 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.53 1l7y n GLY 93 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74