#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 6.79 0.00 6.12 0.01 -1.26 -2.62 113.70 122.74 1l7y s SER 2 Ca 0.00 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1l7y s SER 2 Cb 0.00 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1l7y s SER 2 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1l7y n GLY 3 N 3.38 -0.29 0.00 3.44 0.00 -1.26 -4.88 105.19 105.58 1l7y n GLY 3 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.56 1.24 3.25 -0.02 0.00 -1.26 -4.97 105.19 102.87 1l7y n GLY 4 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1l7y n GLY 4 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1l7y s THR 5 N 0.00 5.09 0.04 2.61 -4.23 -1.26 -5.05 115.64 112.84 1l7y s THR 5 Ca 0.00 -2.99 -0.30 0.00 -1.18 0.00 0.00 61.69 57.22 1l7y s THR 5 Cb 0.00 -4.15 -0.05 0.00 1.34 0.00 0.00 72.50 69.64 1l7y s THR 5 CO 0.00 -1.04 1.14 0.00 -0.54 0.00 0.00 174.62 174.18 1l7y s ALA 6 N -0.41 3.33 -0.69 3.99 0.00 -1.08 -1.68 121.76 125.23 1l7y s ALA 6 Ca 0.22 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 1l7y s ALA 6 Cb -0.12 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1l7y s ALA 6 CO -0.08 -0.38 0.64 0.00 0.00 0.00 0.00 175.76 175.94 1l7y n ALA 7 N 3.94 -2.66 -2.63 0.00 0.00 -1.26 -4.79 120.51 113.11 1l7y n ALA 7 Ca 0.08 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.40 1l7y n ALA 7 Cb 0.48 -1.58 -0.12 0.00 0.00 0.00 0.00 19.45 18.22 1l7y n ALA 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1l7y s THR 8 N -2.72 1.35 -0.04 0.00 2.01 -1.25 -4.96 115.64 110.02 1l7y s THR 8 Ca 0.09 -1.34 0.06 0.00 0.31 0.00 0.00 61.69 60.81 1l7y s THR 8 Cb -0.01 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.22 1l7y s THR 8 CO 0.83 -0.11 -0.21 -0.89 -0.69 0.00 0.00 174.62 173.55 1l7y s THR 9 N -1.14 2.45 -0.60 -0.82 2.01 -1.26 -4.85 115.64 111.43 1l7y s THR 9 Ca 0.02 -0.95 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 1l7y s THR 9 Cb -0.10 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.57 1l7y s THR 9 CO 0.03 0.58 0.89 0.00 -0.69 0.00 0.00 174.62 175.42 1l7y s ALA 10 N -0.57 3.19 -1.28 7.40 0.00 -1.26 -4.96 121.76 124.27 1l7y s ALA 10 Ca 0.08 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.22 1l7y s ALA 10 Cb -0.11 -3.72 0.11 0.00 0.00 0.00 0.00 23.12 19.41 1l7y s ALA 10 CO 0.00 -2.50 1.70 0.41 0.00 0.00 0.00 175.76 175.36 1l7y n GLY 11 N 5.24 3.27 0.26 0.00 0.00 -1.26 -4.64 105.19 108.06 1l7y n GLY 11 Ca -0.03 -1.74 -0.05 0.00 0.00 0.00 0.00 46.02 44.20 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 6.73 1.31 -4.01 1.61 7.64 -1.26 -4.97 113.62 120.66 1l7y n SER 12 Ca 0.44 0.22 -0.10 0.00 1.01 0.00 0.00 58.87 60.44 1l7y n SER 12 Cb 0.43 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 62.93 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 -2.27 0.39 -0.09 1.43 1.02 -1.26 -3.91 119.74 115.04 1l7y s LYS 13 Ca -0.17 -0.71 0.01 0.00 0.02 0.00 0.00 55.97 55.13 1l7y s LYS 13 Cb 0.02 0.03 -0.02 0.00 -0.52 0.00 0.00 37.83 37.35 1l7y s LYS 13 CO 0.25 -0.03 -0.12 0.14 -0.92 0.00 0.00 175.35 174.66 1l7y s VAL 14 N -1.70 3.16 0.12 3.17 -7.23 0.76 -4.92 120.40 113.76 1l7y s VAL 14 Ca -0.12 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.41 1l7y s VAL 14 Cb -0.08 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1l7y s VAL 14 CO -0.02 0.56 0.24 0.28 -0.31 0.00 0.00 175.10 175.85 1l7y s THR 15 N -0.19 5.23 -0.01 5.32 -1.32 -1.26 -2.29 115.64 121.12 1l7y s THR 15 Ca 0.01 -0.62 0.02 0.00 -1.21 0.00 0.00 61.69 59.88 1l7y s THR 15 Cb -0.13 -3.64 -0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1l7y s THR 15 CO 0.03 -0.00 -0.06 -0.36 -2.21 0.00 0.00 174.62 172.01 1l7y s PHE 16 N -1.64 0.60 -0.33 9.09 0.08 -0.06 -4.31 117.98 121.41 1l7y s PHE 16 Ca 0.34 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.28 1l7y s PHE 16 Cb -0.12 -0.41 0.08 0.00 -0.57 0.00 0.00 43.02 42.01 1l7y s PHE 16 CO 0.28 -0.03 0.03 0.15 -0.10 0.00 0.00 175.22 175.55 1l7y s LYS 17 N -0.06 2.03 -0.25 0.44 1.02 0.43 -0.47 119.74 122.88 1l7y s LYS 17 Ca 0.01 -1.58 -0.08 0.00 0.02 0.00 0.00 55.97 54.35 1l7y s LYS 17 Cb -0.04 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.03 1l7y s LYS 17 CO -0.00 -0.80 0.09 0.42 -0.92 0.00 0.00 175.35 174.14 1l7y s ILE 18 N 1.10 4.52 -0.14 2.17 1.09 -0.64 -0.96 121.20 128.33 1l7y s ILE 18 Ca 0.01 -0.10 -0.00 0.00 -1.10 0.00 0.00 60.65 59.46 1l7y s ILE 18 Cb -0.20 -3.12 -0.01 0.00 -1.06 0.00 0.00 42.46 38.07 1l7y s ILE 18 CO -0.05 0.33 -0.13 -0.89 -0.10 0.00 0.00 174.94 174.11 1l7y s THR 19 N 1.56 3.06 -0.29 2.92 2.01 -0.89 -0.98 115.64 123.03 1l7y s THR 19 Ca 0.06 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.12 1l7y s THR 19 Cb -0.15 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1l7y s THR 19 CO 0.05 0.52 2.01 -0.22 -0.69 0.00 0.00 174.62 176.29 1l7y s LEU 20 N 0.43 3.47 0.24 4.42 0.20 -1.26 -0.93 118.68 125.25 1l7y s LEU 20 Ca -0.10 1.56 0.12 0.00 0.69 0.00 0.00 54.13 56.40 1l7y s LEU 20 Cb -0.16 -3.48 0.15 0.00 -0.43 0.00 0.00 46.19 42.28 1l7y s LEU 20 CO 0.05 -1.87 1.48 0.00 -0.29 0.00 0.00 176.35 175.72 1l7y h THR 21 N 6.99 1.29 0.15 3.68 1.03 -1.89 -3.25 112.91 120.91 1l7y h THR 21 Ca -0.37 -2.48 -0.29 0.00 -0.01 0.00 0.00 66.41 63.26 1l7y h THR 21 Cb 1.20 2.41 0.01 0.00 -1.07 0.00 0.00 68.15 70.71 1l7y h THR 21 CO 1.00 0.66 -1.34 0.28 -0.01 0.00 0.00 175.52 176.12 1l7y h SER 22 N 0.00 0.50 -3.68 0.00 0.02 -1.88 -3.42 113.55 105.09 1l7y h SER 22 Ca -0.01 -0.56 -0.69 0.00 -0.84 0.00 0.00 61.79 59.69 1l7y h SER 22 Cb 1.36 -0.16 -0.29 0.00 0.14 0.00 0.00 62.40 63.44 1l7y h SER 22 CO 0.09 1.44 -0.62 -0.62 -1.14 0.00 0.00 176.83 175.98 1l7y s ASP 23 N -7.21 5.25 0.31 3.07 2.15 -1.23 -4.95 116.67 114.06 1l7y s ASP 23 Ca -0.06 -1.19 0.16 0.00 0.43 0.00 0.00 52.55 51.89 1l7y s ASP 23 Cb 0.06 -1.84 0.29 0.00 -0.30 0.00 0.00 42.92 41.13 1l7y s ASP 23 CO 0.89 -0.32 1.55 1.55 -0.17 0.00 0.00 175.17 178.67 1l7y h PRO 24 N 8.18 0.00 -0.13 4.34 0.13 -1.83 -3.30 132.00 139.40 1l7y h PRO 24 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1l7y h PRO 24 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1l7y h PRO 24 CO 0.59 0.47 0.04 -0.22 -0.23 0.00 0.00 178.00 178.66 1l7y h LYS 25 N 0.00 0.20 -6.54 0.86 3.11 -1.92 -3.42 116.57 108.86 1l7y h LYS 25 Ca -0.00 -0.04 -0.53 0.00 -2.81 0.00 0.00 60.65 57.26 1l7y h LYS 25 Cb 1.22 -0.03 0.02 0.00 -1.00 0.00 0.00 32.23 32.44 1l7y h LYS 25 CO 0.06 0.33 0.67 -0.51 -2.81 0.00 0.00 179.45 177.19 1l7y s LEU 26 N -9.77 4.37 0.98 5.20 1.43 -1.24 -5.02 118.68 114.64 1l7y s LEU 26 Ca -0.14 2.23 -0.15 0.00 -1.03 0.00 0.00 54.13 55.04 1l7y s LEU 26 Cb 0.06 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.89 1l7y s LEU 26 CO 0.70 -0.58 1.23 -2.16 0.23 0.00 0.00 176.35 175.76 1l7y s PRO 27 N 1.00 0.53 0.76 1.29 0.04 -1.26 -4.51 135.00 132.85 1l7y s PRO 27 Ca 0.62 -0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.39 1l7y s PRO 27 Cb -0.34 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.43 1l7y s PRO 27 CO 0.30 -2.52 1.09 -0.59 0.04 0.00 0.00 177.00 175.32 1l7y s PHE 28 N -3.58 3.01 -0.05 0.56 -0.12 -1.26 -4.49 117.98 112.06 1l7y s PHE 28 Ca 0.70 1.17 0.03 0.00 -0.05 0.00 0.00 56.93 58.78 1l7y s PHE 28 Cb -0.08 -3.06 0.00 0.00 -0.63 0.00 0.00 43.02 39.25 1l7y s PHE 28 CO 0.53 -1.52 -0.14 0.15 -0.05 0.00 0.00 175.22 174.19 1l7y s LYS 29 N -5.19 1.55 -0.22 1.99 3.01 -0.15 -4.96 119.74 115.78 1l7y s LYS 29 Ca 0.60 -0.47 -0.10 0.00 -1.01 0.00 0.00 55.97 54.98 1l7y s LYS 29 Cb -0.13 -1.34 -0.05 0.00 -1.01 0.00 0.00 37.83 35.29 1l7y s LYS 29 CO 0.54 0.15 0.15 0.08 0.51 0.00 0.00 175.35 176.78 1l7y s VAL 30 N 0.26 5.38 -0.26 3.17 1.01 -1.26 -1.63 120.40 127.07 1l7y s VAL 30 Ca -0.07 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1l7y s VAL 30 Cb -0.12 -3.49 0.06 0.00 0.00 0.00 0.00 36.38 32.83 1l7y s VAL 30 CO 0.02 0.39 -0.10 -0.76 0.00 0.00 0.00 175.10 174.65 1l7y s LEU 31 N 0.73 3.33 -0.40 3.92 1.43 0.38 -4.94 118.68 123.14 1l7y s LEU 31 Ca 0.08 -1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 51.66 1l7y s LEU 31 Cb -0.12 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1l7y s LEU 31 CO 0.02 -0.20 0.27 -0.44 0.23 0.00 0.00 176.35 176.22 1l7y s SER 32 N 1.14 5.99 0.05 2.29 0.01 -1.26 -0.89 113.70 121.04 1l7y s SER 32 Ca -0.08 -0.93 -0.01 0.00 1.31 0.00 0.00 55.95 56.24 1l7y s SER 32 Cb -0.20 -2.12 -0.04 0.00 0.21 0.00 0.00 66.02 63.88 1l7y s SER 32 CO -0.05 -0.43 -0.03 0.68 0.41 0.00 0.00 173.24 173.82 1l7y s VAL 33 N 1.64 0.24 0.70 3.43 -7.23 -0.97 -4.99 120.40 113.22 1l7y s VAL 33 Ca 0.04 -1.74 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 1l7y s VAL 33 Cb -0.19 -1.42 0.01 0.00 0.56 0.00 0.00 36.38 35.34 1l7y s VAL 33 CO 0.09 -0.95 1.07 -2.16 -0.31 0.00 0.00 175.10 172.84 1l7y s PRO 34 N -3.69 2.84 0.54 4.82 0.04 -1.26 -0.17 135.00 138.12 1l7y s PRO 34 Ca 0.05 1.02 0.21 0.00 0.04 0.00 0.00 61.00 62.31 1l7y s PRO 34 Cb 0.06 -1.98 1.39 0.00 0.04 0.00 0.00 34.50 34.01 1l7y s PRO 34 CO -0.09 -1.18 2.12 0.93 0.04 0.00 0.00 177.00 178.83 1l7y h GLU 35 N -0.70 0.00 -0.97 4.56 3.07 -1.92 -1.84 114.58 116.78 1l7y h GLU 35 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 1l7y h GLU 35 Cb 1.21 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.08 1l7y h GLU 35 CO 0.56 0.00 0.61 0.77 -1.40 0.00 0.00 179.01 179.55 1l7y h SER 36 N 0.00 1.15 -2.72 1.42 0.02 -1.92 -3.27 113.55 108.24 1l7y h SER 36 Ca 0.06 -0.05 -0.53 0.00 -0.84 0.00 0.00 61.79 60.43 1l7y h SER 36 Cb 0.27 -0.29 0.03 0.00 0.14 0.00 0.00 62.40 62.55 1l7y h SER 36 CO -0.00 0.86 0.97 -0.89 -1.14 0.00 0.00 176.83 176.63 1l7y s THR 37 N -6.03 2.85 0.75 -2.27 2.01 -0.69 -4.79 115.64 107.46 1l7y s THR 37 Ca -0.13 0.43 -0.12 0.00 0.31 0.00 0.00 61.69 62.18 1l7y s THR 37 Cb 0.18 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.45 1l7y s THR 37 CO 0.82 0.01 1.11 -2.16 -0.69 0.00 0.00 174.62 173.71 1l7y s PRO 38 N 2.16 2.49 0.44 4.92 0.04 -1.26 -1.28 135.00 142.50 1l7y s PRO 38 Ca 0.73 0.45 0.30 0.00 0.04 0.00 0.00 61.00 62.53 1l7y s PRO 38 Cb -0.42 -1.98 1.39 0.00 0.04 0.00 0.00 34.50 33.54 1l7y s PRO 38 CO 0.32 -1.29 1.91 0.35 0.04 0.00 0.00 177.00 178.33 1l7y h PHE 39 N -0.84 0.00 -0.48 0.56 3.57 -0.91 -2.68 116.94 116.16 1l7y h PHE 39 Ca -0.46 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.04 1l7y h PHE 39 Cb 1.27 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1l7y h PHE 39 CO 0.46 0.00 0.28 1.79 -2.23 0.00 0.00 178.31 178.61 1l7y h THR 40 N 0.00 1.15 -0.00 4.41 1.35 -1.79 0.21 112.91 118.24 1l7y h THR 40 Ca 0.00 -0.37 -0.24 0.00 -0.55 0.00 0.00 66.41 65.25 1l7y h THR 40 Cb 0.30 0.53 0.01 0.00 -1.73 0.00 0.00 68.15 67.25 1l7y h THR 40 CO 0.00 0.16 -0.98 0.00 -0.25 0.00 0.00 175.52 174.45 1l7y h ALA 41 N 1.13 0.26 -0.10 6.62 0.00 -1.87 -2.25 119.26 123.05 1l7y h ALA 41 Ca 0.17 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1l7y h ALA 41 Cb 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1l7y h ALA 41 CO -0.03 0.76 0.05 0.28 0.00 0.00 0.00 179.25 180.31 1l7y h VAL 42 N 0.31 1.08 -0.36 0.00 2.07 -1.25 -1.23 116.25 116.87 1l7y h VAL 42 Ca -0.10 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1l7y h VAL 42 Cb 1.63 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1l7y h VAL 42 CO 0.18 0.07 -0.06 0.25 0.02 0.00 0.00 177.57 178.03 1l7y h LEU 43 N 0.07 0.58 0.07 2.57 6.46 -0.66 -1.87 115.31 122.53 1l7y h LEU 43 Ca 0.03 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1l7y h LEU 43 Cb 0.07 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 1l7y h LEU 43 CO -0.01 0.69 -0.04 0.50 -0.62 0.00 0.00 178.44 178.97 1l7y h LYS 44 N 0.56 -0.10 -0.49 1.25 3.64 -1.02 0.37 116.57 120.78 1l7y h LYS 44 Ca 0.11 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1l7y h LYS 44 Cb 0.45 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1l7y h LYS 44 CO 0.02 0.10 0.25 0.35 -2.27 0.00 0.00 179.45 177.91 1l7y h PHE 45 N -0.28 0.69 -0.52 1.91 3.57 -1.13 0.09 116.94 121.26 1l7y h PHE 45 Ca -0.01 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1l7y h PHE 45 Cb 0.24 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 1l7y h PHE 45 CO -0.01 0.53 0.31 0.00 -2.23 0.00 0.00 178.31 176.91 1l7y h ALA 46 N 1.10 0.66 -0.54 2.41 0.00 -1.25 -2.10 119.26 119.54 1l7y h ALA 46 Ca 0.17 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1l7y h ALA 46 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1l7y h ALA 46 CO -0.02 0.15 0.02 0.00 0.00 0.00 0.00 179.25 179.39 1l7y h ALA 47 N 1.15 1.02 -0.46 0.00 0.00 -0.62 -0.97 119.26 119.39 1l7y h ALA 47 Ca 0.19 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1l7y h ALA 47 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1l7y h ALA 47 CO -0.03 0.61 0.30 0.93 0.00 0.00 0.00 179.25 181.06 1l7y h GLU 48 N 0.84 0.60 0.00 0.00 3.07 -0.53 -0.82 114.58 117.75 1l7y h GLU 48 Ca 0.16 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.90 1l7y h GLU 48 Cb 0.47 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1l7y h GLU 48 CO 0.02 0.40 -0.41 0.93 -1.40 0.00 0.00 179.01 178.55 1l7y h GLU 49 N 0.62 0.00 -0.05 2.33 3.07 -1.20 -2.89 114.58 116.46 1l7y h GLU 49 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1l7y h GLU 49 Cb -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1l7y h GLU 49 CO -0.04 0.41 0.00 1.19 -1.40 0.00 0.00 179.01 179.17 1l7y n PHE 50 N -3.51 0.06 -2.96 4.33 3.72 -0.38 -4.91 117.46 113.81 1l7y n PHE 50 Ca -0.00 -0.03 -0.19 0.00 -0.05 0.00 0.00 57.45 57.18 1l7y n PHE 50 Cb 0.54 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.12 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 -0.28 -4.48 -4.19 -1.08 4.01 -0.64 -5.01 118.16 106.50 1l7y n LYS 51 Ca 0.18 0.77 -0.15 0.00 -0.51 0.00 0.00 58.31 58.61 1l7y n LYS 51 Cb 0.23 -5.37 -0.11 0.00 -0.51 0.00 0.00 35.03 29.27 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1l7y s VAL 52 N -3.11 1.01 -0.05 -0.18 -7.23 -0.41 -5.05 120.40 105.39 1l7y s VAL 52 Ca 0.28 -1.67 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 1l7y s VAL 52 Cb -0.13 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1l7y s VAL 52 CO 0.35 -0.55 1.13 -2.16 -0.31 0.00 0.00 175.10 173.57 1l7y s PRO 53 N -2.82 4.40 0.26 4.82 0.04 -1.26 -4.03 135.00 136.41 1l7y s PRO 53 Ca 0.06 1.59 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1l7y s PRO 53 Cb -0.03 -3.52 0.33 0.00 0.04 0.00 0.00 34.50 31.32 1l7y s PRO 53 CO 0.00 -0.36 1.69 0.00 0.04 0.00 0.00 177.00 178.38 1l7y h ALA 54 N 7.23 1.03 -0.44 8.56 0.00 -1.89 -2.55 119.26 131.20 1l7y h ALA 54 Ca -0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1l7y h ALA 54 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1l7y h ALA 54 CO 0.85 0.58 0.11 0.00 0.00 0.00 0.00 179.25 180.80 1l7y h ALA 55 N 1.23 1.37 -0.95 0.00 0.00 -1.97 -2.85 119.26 116.08 1l7y h ALA 55 Ca 0.08 -0.17 -0.62 0.00 0.00 0.00 0.00 54.91 54.20 1l7y h ALA 55 Cb 0.67 -0.18 -0.36 0.00 0.00 0.00 0.00 17.79 17.91 1l7y h ALA 55 CO 0.05 0.46 -0.03 2.41 0.00 0.00 0.00 179.25 182.14 1l7y n THR 56 N -4.31 3.01 -3.75 0.00 -1.04 -1.08 -4.98 114.28 102.13 1l7y n THR 56 Ca 0.03 -3.85 -0.14 0.00 -2.04 0.00 0.00 64.05 58.05 1l7y n THR 56 Cb 0.20 -1.17 -0.09 0.00 -1.82 0.00 0.00 70.33 67.45 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 -2.73 -0.24 0.33 8.00 0.15 -0.98 -1.97 113.70 116.26 1l7y s SER 57 Ca 0.56 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.45 1l7y s SER 57 Cb 0.45 0.38 -0.05 0.00 -1.71 0.00 0.00 66.02 65.09 1l7y s SER 57 CO -0.05 -0.41 0.10 0.00 1.20 0.00 0.00 173.24 174.08 1l7y s ALA 58 N -1.11 2.34 -0.11 5.45 0.00 -0.28 -4.83 121.76 123.22 1l7y s ALA 58 Ca -0.12 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.10 1l7y s ALA 58 Cb -0.05 0.83 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1l7y s ALA 58 CO 0.04 -0.37 -0.10 0.42 0.00 0.00 0.00 175.76 175.75 1l7y s ILE 59 N -3.41 1.14 0.52 0.00 1.01 -1.01 -1.20 121.20 118.25 1l7y s ILE 59 Ca 0.33 -0.39 0.07 0.00 0.00 0.00 0.00 60.65 60.66 1l7y s ILE 59 Cb 0.06 -1.11 0.05 0.00 0.01 0.00 0.00 42.46 41.47 1l7y s ILE 59 CO 0.15 0.38 0.71 0.27 0.00 0.00 0.00 174.94 176.45 1l7y s ILE 60 N 1.42 2.56 0.17 2.92 -4.36 0.34 0.46 121.20 124.72 1l7y s ILE 60 Ca 0.00 -0.93 0.05 0.00 -0.26 0.00 0.00 60.65 59.52 1l7y s ILE 60 Cb -0.13 -2.64 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 1l7y s ILE 60 CO -0.06 0.00 0.14 -0.89 0.24 0.00 0.00 174.94 174.37 1l7y s THR 61 N -2.59 4.48 0.59 8.37 2.01 0.16 0.39 115.64 129.06 1l7y s THR 61 Ca 0.59 -1.11 0.29 0.00 0.31 0.00 0.00 61.69 61.77 1l7y s THR 61 Cb -0.08 -3.30 0.37 0.00 0.01 0.00 0.00 72.50 69.50 1l7y s THR 61 CO 0.37 -0.13 1.99 0.78 -0.69 0.00 0.00 174.62 176.94 1l7y h ASN 62 N 2.34 0.00 0.00 3.53 2.35 -1.83 -2.10 115.58 119.87 1l7y h ASN 62 Ca -0.48 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1l7y h ASN 62 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 1l7y h ASN 62 CO 0.63 0.00 -0.00 0.44 -1.65 0.00 0.00 177.43 176.85 1l7y h ASP 63 N 0.00 -0.00 0.00 5.81 3.32 -1.94 -3.48 116.42 120.12 1l7y h ASP 63 Ca 0.15 -0.89 0.00 0.00 0.02 0.00 0.00 57.03 56.31 1l7y h ASP 63 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1l7y h ASP 63 CO -0.00 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 179.04 1l7y n GLY 64 N 1.48 -0.29 2.88 2.75 0.00 -0.79 -5.16 105.19 106.06 1l7y n GLY 64 Ca -0.09 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 0.82 -1.00 1.61 1.01 -1.25 -4.89 120.40 116.70 1l7y s VAL 65 Ca 0.00 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.57 1l7y s VAL 65 Cb 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1l7y s VAL 65 CO 0.00 0.33 1.69 -0.83 0.00 0.00 0.00 175.10 176.29 1l7y s GLY 66 N 1.64 0.79 0.08 4.51 0.00 -1.26 -0.67 107.32 112.42 1l7y s GLY 66 Ca 0.02 -1.99 -0.31 0.00 0.00 0.00 0.00 44.72 42.45 1l7y s GLY 66 CO -0.06 3.06 1.23 0.14 0.00 0.00 0.00 173.10 177.48 1l7y s VAL 67 N 7.31 3.85 0.30 1.40 1.01 0.17 -4.92 120.40 129.52 1l7y s VAL 67 Ca 0.57 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.98 1l7y s VAL 67 Cb -0.03 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1l7y s VAL 67 CO -0.04 0.12 0.16 0.20 0.00 0.00 0.00 175.10 175.53 1l7y s ASN 68 N 0.97 5.02 -1.35 3.32 0.01 -1.26 -2.41 114.94 119.25 1l7y s ASN 68 Ca 0.59 -0.54 -0.12 0.00 -0.71 0.00 0.00 52.86 52.08 1l7y s ASN 68 Cb -0.31 -1.00 -0.05 0.00 0.41 0.00 0.00 41.25 40.30 1l7y s ASN 68 CO 0.30 -0.17 2.44 -0.81 -1.51 0.00 0.00 177.10 177.35 1l7y n PRO 69 N -1.15 2.87 0.00 -0.60 -0.04 -1.26 -3.99 135.00 130.83 1l7y n PRO 69 Ca -0.05 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1l7y n PRO 69 Cb 0.59 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 5.07 1.42 -2.36 0.55 0.00 -1.26 -4.24 120.51 119.68 1l7y n ALA 70 Ca 0.60 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.80 1l7y n ALA 70 Cb 0.29 0.10 0.01 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.35 3.26 0.56 0.00 -0.21 -1.26 -4.84 119.66 115.82 1l7y s GLN 71 Ca 0.00 -0.23 -0.16 0.00 0.02 0.00 0.00 55.36 54.99 1l7y s GLN 71 Cb 0.00 -2.51 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 1l7y s GLN 71 CO 0.00 -0.21 1.02 -1.25 -2.12 0.00 0.00 175.29 172.73 1l7y s PRO 72 N -4.59 3.65 0.28 2.91 0.04 -1.26 -0.29 135.00 135.74 1l7y s PRO 72 Ca 0.47 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1l7y s PRO 72 Cb -0.10 -2.09 0.52 0.00 0.04 0.00 0.00 34.50 32.87 1l7y s PRO 72 CO 0.40 -0.52 1.85 0.00 0.04 0.00 0.00 177.00 178.76 1l7y h ALA 73 N 0.60 1.48 -0.38 8.56 0.00 -1.25 -0.02 119.26 128.25 1l7y h ALA 73 Ca -0.47 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1l7y h ALA 73 Cb 1.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1l7y h ALA 73 CO 0.60 0.28 0.21 0.78 0.00 0.00 0.00 179.25 181.12 1l7y h GLY 74 N 1.04 0.52 1.32 0.00 0.00 -1.81 -0.63 103.07 103.51 1l7y h GLY 74 Ca 0.48 -0.16 -0.15 0.00 0.00 0.00 0.00 47.33 47.51 1l7y h GLY 74 CO -0.24 0.14 -0.39 -0.57 0.00 0.00 0.00 176.54 175.47 1l7y h ASN 75 N 0.44 0.80 -0.65 0.19 -1.24 -1.68 -1.18 115.58 112.25 1l7y h ASN 75 Ca 0.15 -0.36 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1l7y h ASN 75 Cb 0.02 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.81 1l7y h ASN 75 CO -0.08 1.09 0.35 0.40 -1.29 0.00 0.00 177.43 177.90 1l7y h ILE 76 N 0.62 1.21 -0.16 2.57 1.08 -0.62 -0.19 117.51 122.02 1l7y h ILE 76 Ca 0.05 -0.54 -0.19 0.00 -0.39 0.00 0.00 64.86 63.79 1l7y h ILE 76 Cb 0.93 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1l7y h ILE 76 CO 0.09 0.23 -0.69 0.15 -0.69 0.00 0.00 178.15 177.24 1l7y h PHE 77 N 0.89 0.85 -0.44 1.37 3.04 -1.04 0.55 116.94 122.16 1l7y h PHE 77 Ca 0.23 -0.35 -0.10 0.00 3.98 0.00 0.00 57.97 61.73 1l7y h PHE 77 Cb 0.06 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.41 1l7y h PHE 77 CO -0.01 1.14 -0.12 -0.07 -2.02 0.00 0.00 178.31 177.24 1l7y h LEU 78 N 0.46 0.79 0.00 0.59 3.38 -0.92 -1.92 115.31 117.69 1l7y h LEU 78 Ca -0.02 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1l7y h LEU 78 Cb 1.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1l7y h LEU 78 CO 0.13 0.92 -0.39 0.11 0.09 0.00 0.00 178.44 179.31 1l7y h LYS 79 N 0.72 0.00 0.00 1.13 1.57 -1.03 -3.44 116.57 115.52 1l7y h LYS 79 Ca 0.12 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1l7y h LYS 79 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1l7y h LYS 79 CO 0.04 0.31 -0.98 0.72 -0.57 0.00 0.00 179.45 178.97 1l7y n HIS 80 N -4.64 0.47 0.00 -1.35 8.25 0.09 -5.10 115.22 112.94 1l7y n HIS 80 Ca -0.09 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1l7y n HIS 80 Cb 0.28 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.67 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 1.50 0.17 0.05 -1.41 0.00 -0.65 -4.75 105.19 100.11 1l7y n GLY 81 Ca -0.17 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.29 1l7y n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1l7y n SER 82 N 0.00 3.17 -4.57 1.61 3.41 -1.26 -4.27 113.62 111.71 1l7y n SER 82 Ca 0.00 -0.06 -0.39 0.00 -0.26 0.00 0.00 58.87 58.16 1l7y n SER 82 Cb 0.00 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 1l7y n SER 82 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1l7y s GLU 83 N -2.21 2.56 0.21 4.33 8.01 -1.26 -0.43 118.70 129.91 1l7y s GLU 83 Ca -0.14 1.51 -0.00 0.00 0.01 0.00 0.00 54.97 56.35 1l7y s GLU 83 Cb 0.04 -4.47 -0.04 0.00 -4.31 0.00 0.00 34.13 25.35 1l7y s GLU 83 CO 0.25 -2.76 0.14 -0.51 0.01 0.00 0.00 175.26 172.39 1l7y s LEU 84 N 10.31 1.22 0.13 1.80 1.43 -0.14 -3.03 118.68 130.40 1l7y s LEU 84 Ca 0.94 -1.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1l7y s LEU 84 Cb -0.22 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.35 1l7y s LEU 84 CO 0.29 -0.86 -0.06 -0.13 0.23 0.00 0.00 176.35 175.81 1l7y s ARG 85 N -4.08 0.98 -0.16 1.70 3.00 0.16 -2.09 118.95 118.46 1l7y s ARG 85 Ca 0.39 -1.42 -0.04 0.00 0.00 0.00 0.00 55.73 54.65 1l7y s ARG 85 Cb 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 34.95 34.61 1l7y s ARG 85 CO 0.14 -0.01 -0.01 -1.17 0.00 0.00 0.00 175.30 174.25 1l7y s LEU 86 N -3.12 3.40 -0.07 2.53 2.96 -0.11 -0.50 118.68 123.77 1l7y s LEU 86 Ca 0.16 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1l7y s LEU 86 Cb 0.04 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.92 1l7y s LEU 86 CO -0.01 0.19 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.54 1l7y s ILE 87 N 0.26 1.41 -0.15 6.68 2.07 -0.34 -2.92 121.20 128.21 1l7y s ILE 87 Ca -0.01 -0.66 -0.29 0.00 -1.41 0.00 0.00 60.65 58.28 1l7y s ILE 87 Cb -0.14 -1.25 -0.01 0.00 0.13 0.00 0.00 42.46 41.19 1l7y s ILE 87 CO 0.02 0.41 1.21 -2.16 -1.91 0.00 0.00 174.94 172.52 1l7y s PRO 88 N 0.43 4.27 0.02 3.50 0.04 -1.26 -1.13 135.00 140.86 1l7y s PRO 88 Ca -0.13 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 1l7y s PRO 88 Cb -0.15 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1l7y s PRO 88 CO 0.04 -0.63 1.03 0.50 0.04 0.00 0.00 177.00 177.98 1l7y s ARG 89 N 3.15 4.54 -0.33 4.56 6.06 -0.83 -4.89 118.95 131.21 1l7y s ARG 89 Ca 0.53 1.50 0.02 0.00 -2.50 0.00 0.00 55.73 55.28 1l7y s ARG 89 Cb -0.21 -3.43 0.09 0.00 0.06 0.00 0.00 34.95 31.45 1l7y s ARG 89 CO 0.15 -0.08 0.03 -0.51 -2.50 0.00 0.00 175.30 172.39 1l7y s ASP 90 N 0.98 4.78 0.02 -2.12 1.11 -1.26 -4.70 116.67 115.47 1l7y s ASP 90 Ca 0.53 -1.87 0.00 0.00 0.18 0.00 0.00 52.55 51.39 1l7y s ASP 90 Cb -0.23 -1.65 0.00 0.00 1.07 0.00 0.00 42.92 42.11 1l7y s ASP 90 CO 0.28 -0.35 0.00 0.54 1.18 0.00 0.00 175.17 176.83 1l7y n ARG 91 N 4.38 0.00 -3.91 8.23 3.00 -1.20 -5.05 116.66 122.11 1l7y n ARG 91 Ca -0.03 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.53 1l7y n ARG 91 Cb 0.42 -0.03 -0.17 0.00 0.00 0.00 0.00 32.46 32.69 1l7y n ARG 91 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1l7y s VAL 92 N -1.10 1.13 0.00 1.55 1.01 -1.26 -4.89 120.40 116.84 1l7y s VAL 92 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1l7y s VAL 92 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.17 1l7y s VAL 92 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1l7y n GLY 93 N 4.89 2.00 0.00 4.51 0.00 -1.26 -5.15 105.19 110.18 1l7y n GLY 93 Ca -0.13 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.56 1l7y n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89