#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7y h SER 2 N 0.00 0.00 -3.33 7.83 4.64 -1.62 -3.13 113.55 117.94 1l7y h SER 2 Ca 0.00 -0.47 -0.65 0.00 -0.47 0.00 0.00 61.79 60.21 1l7y h SER 2 Cb 0.00 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 61.86 1l7y h SER 2 CO 0.00 0.99 -0.70 -0.83 -0.87 0.00 0.00 176.83 175.42 1l7y s GLY 3 N -4.25 1.66 0.00 -0.77 0.00 -1.26 -4.05 107.32 98.65 1l7y s GLY 3 Ca -0.17 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1l7y s GLY 3 CO 0.43 -0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.99 1l7y n GLY 4 N 3.43 -0.15 0.11 0.20 0.00 -1.26 -4.89 105.19 102.63 1l7y n GLY 4 Ca -0.18 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 1l7y n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l7y n THR 5 N 0.00 1.50 -4.36 2.61 -1.04 -1.26 -5.00 114.28 106.73 1l7y n THR 5 Ca 0.00 0.07 -0.31 0.00 -2.04 0.00 0.00 64.05 61.77 1l7y n THR 5 Cb 0.00 -2.27 -0.10 0.00 -1.82 0.00 0.00 70.33 66.13 1l7y n THR 5 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y s ALA 6 N -2.84 2.95 -0.37 2.41 0.00 -1.26 -5.01 121.76 117.63 1l7y s ALA 6 Ca -0.30 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 50.51 1l7y s ALA 6 Cb 0.06 -0.97 0.39 0.00 0.00 0.00 0.00 23.12 22.59 1l7y s ALA 6 CO 0.43 0.63 1.81 0.00 0.00 0.00 0.00 175.76 178.63 1l7y n ALA 7 N 1.08 5.05 -2.79 0.00 0.00 -1.26 -4.30 120.51 118.30 1l7y n ALA 7 Ca -0.14 -2.14 -0.36 0.00 0.00 0.00 0.00 53.44 50.80 1l7y n ALA 7 Cb 0.52 -1.41 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.70 4.87 0.15 0.00 2.01 -1.18 -4.88 115.64 113.90 1l7y s THR 8 Ca 0.41 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1l7y s THR 8 Cb 0.33 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1l7y s THR 8 CO 0.04 0.58 0.00 0.41 -0.69 0.00 0.00 174.62 174.96 1l7y n THR 9 N 2.37 -2.49 -2.69 -0.82 -1.04 -1.26 -3.03 114.28 105.32 1l7y n THR 9 Ca -0.19 0.83 -0.43 0.00 -2.04 0.00 0.00 64.05 62.22 1l7y n THR 9 Cb 0.54 -1.43 -0.03 0.00 -1.82 0.00 0.00 70.33 67.59 1l7y n THR 9 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1l7y s ALA 10 N -1.93 3.08 0.00 2.41 0.00 -1.26 -2.28 121.76 121.78 1l7y s ALA 10 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1l7y s ALA 10 Cb 0.00 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.23 1l7y s ALA 10 CO 0.00 -2.49 0.00 0.41 0.00 0.00 0.00 175.76 173.68 1l7y n GLY 11 N 5.06 -0.35 2.64 0.00 0.00 -1.26 -4.72 105.19 106.55 1l7y n GLY 11 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.82 2.74 0.27 1.61 0.01 -1.26 -4.88 113.70 110.36 1l7y s SER 12 Ca 0.00 -0.81 0.12 0.00 1.31 0.00 0.00 55.95 56.57 1l7y s SER 12 Cb 0.00 -0.37 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 1l7y s SER 12 CO 0.00 -0.35 -0.18 -0.54 0.41 0.00 0.00 173.24 172.58 1l7y s LYS 13 N 2.04 1.75 -0.12 12.44 1.02 -1.26 -4.32 119.74 131.29 1l7y s LYS 13 Ca 0.03 -1.72 -0.05 0.00 0.02 0.00 0.00 55.97 54.25 1l7y s LYS 13 Cb -0.16 -1.82 -0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1l7y s LYS 13 CO -0.14 0.34 0.06 0.14 -0.92 0.00 0.00 175.35 174.83 1l7y s VAL 14 N -2.45 4.80 0.01 3.17 -7.23 0.39 -4.93 120.40 114.16 1l7y s VAL 14 Ca 0.30 -0.05 -0.04 0.00 -1.81 0.00 0.00 61.98 60.38 1l7y s VAL 14 Cb -0.05 -3.08 -0.04 0.00 0.56 0.00 0.00 36.38 33.77 1l7y s VAL 14 CO 0.15 0.58 0.22 0.42 -0.31 0.00 0.00 175.10 176.17 1l7y s THR 15 N -0.67 5.38 0.04 5.32 -4.23 -1.26 -2.10 115.64 118.12 1l7y s THR 15 Ca 0.12 -0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 1l7y s THR 15 Cb -0.12 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 1l7y s THR 15 CO 0.02 0.31 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.92 1l7y s PHE 16 N -1.34 1.23 -0.27 3.99 0.08 -0.16 -4.23 117.98 117.28 1l7y s PHE 16 Ca 0.28 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 56.98 1l7y s PHE 16 Cb -0.13 -0.74 0.08 0.00 -0.57 0.00 0.00 43.02 41.67 1l7y s PHE 16 CO 0.19 0.03 0.05 0.21 -0.10 0.00 0.00 175.22 175.60 1l7y s LYS 17 N -1.11 0.92 -0.16 0.44 2.36 0.39 -1.24 119.74 121.35 1l7y s LYS 17 Ca 0.02 -0.95 -0.08 0.00 -2.55 0.00 0.00 55.97 52.41 1l7y s LYS 17 Cb -0.08 -2.21 -0.04 0.00 -1.05 0.00 0.00 37.83 34.45 1l7y s LYS 17 CO 0.01 -0.82 0.10 0.42 1.55 0.00 0.00 175.35 176.61 1l7y s ILE 18 N 1.59 5.17 0.01 5.43 1.09 -0.19 -0.44 121.20 133.85 1l7y s ILE 18 Ca 0.04 0.10 0.03 0.00 -1.10 0.00 0.00 60.65 59.72 1l7y s ILE 18 Cb -0.18 -3.31 -0.01 0.00 -1.06 0.00 0.00 42.46 37.91 1l7y s ILE 18 CO -0.16 0.52 -0.09 -0.89 -0.10 0.00 0.00 174.94 174.21 1l7y s THR 19 N -0.17 0.74 -0.07 2.92 2.01 -0.92 -1.41 115.64 118.74 1l7y s THR 19 Ca 0.09 -0.55 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1l7y s THR 19 Cb -0.12 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.67 1l7y s THR 19 CO 0.01 0.10 2.08 -0.22 -0.69 0.00 0.00 174.62 175.90 1l7y s LEU 20 N -0.50 4.01 0.22 4.42 1.98 -1.26 -0.46 118.68 127.10 1l7y s LEU 20 Ca 0.02 2.35 0.04 0.00 -2.89 0.00 0.00 54.13 53.64 1l7y s LEU 20 Cb -0.05 -3.52 0.20 0.00 0.66 0.00 0.00 46.19 43.48 1l7y s LEU 20 CO 0.00 -1.45 1.53 0.00 -1.89 0.00 0.00 176.35 174.54 1l7y h THR 21 N 6.29 1.40 0.04 3.68 1.03 -1.89 -3.14 112.91 120.31 1l7y h THR 21 Ca -0.46 -2.07 -0.00 0.00 -0.01 0.00 0.00 66.41 63.87 1l7y h THR 21 Cb 1.24 2.06 0.00 0.00 -1.07 0.00 0.00 68.15 70.38 1l7y h THR 21 CO 0.95 0.61 -0.02 0.28 -0.01 0.00 0.00 175.52 177.33 1l7y h SER 22 N 0.18 -0.05 -1.24 0.00 0.02 -1.89 -3.45 113.55 107.12 1l7y h SER 22 Ca -0.01 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1l7y h SER 22 Cb 1.17 0.01 -0.23 0.00 0.14 0.00 0.00 62.40 63.49 1l7y h SER 22 CO 0.10 0.56 -0.38 -0.62 -1.14 0.00 0.00 176.83 175.35 1l7y s ASP 23 N -5.74 -0.95 0.23 3.07 -1.08 -1.24 -5.15 116.67 105.81 1l7y s ASP 23 Ca -0.16 0.37 -0.30 0.00 -0.52 0.00 0.00 52.55 51.95 1l7y s ASP 23 Cb 0.00 1.81 -0.09 0.00 -1.46 0.00 0.00 42.92 43.19 1l7y s ASP 23 CO 0.63 -0.29 1.02 -2.16 0.52 0.00 0.00 175.17 174.88 1l7y s PRO 24 N 2.75 4.73 -0.07 4.34 0.04 -1.19 -4.73 135.00 140.88 1l7y s PRO 24 Ca 0.15 1.62 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1l7y s PRO 24 Cb -0.13 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 1l7y s PRO 24 CO -0.23 0.32 -0.08 0.87 0.04 0.00 0.00 177.00 177.92 1l7y h LYS 25 N 4.39 0.00 0.00 4.56 6.56 -2.01 -3.50 116.57 126.57 1l7y h LYS 25 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1l7y h LYS 25 Cb 1.21 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1l7y h LYS 25 CO 0.69 0.00 0.00 1.28 -2.06 0.00 0.00 179.45 179.36 1l7y n LEU 26 N -3.51 -0.66 -4.68 2.94 4.77 -1.26 -5.11 117.00 109.48 1l7y n LEU 26 Ca -0.03 0.48 -0.42 0.00 -0.03 0.00 0.00 56.01 56.00 1l7y n LEU 26 Cb 0.11 0.96 -0.03 0.00 -2.33 0.00 0.00 43.42 42.14 1l7y n LEU 26 CO 0.05 0.04 0.89 -2.16 -1.33 0.00 0.00 177.39 174.87 1l7y s PRO 27 N -2.00 4.37 0.22 3.23 0.04 -1.26 -5.04 135.00 134.56 1l7y s PRO 27 Ca 0.00 1.52 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1l7y s PRO 27 Cb 0.00 -3.57 -0.06 0.00 0.04 0.00 0.00 34.50 30.91 1l7y s PRO 27 CO 0.00 -0.42 0.49 -0.06 0.04 0.00 0.00 177.00 177.05 1l7y s PHE 28 N 2.28 3.46 -0.72 0.56 0.08 -1.26 -5.00 117.98 117.37 1l7y s PHE 28 Ca 0.52 0.69 -0.25 0.00 0.12 0.00 0.00 56.93 58.01 1l7y s PHE 28 Cb -0.21 -2.12 0.05 0.00 -0.57 0.00 0.00 43.02 40.17 1l7y s PHE 28 CO 0.18 0.30 1.16 0.15 -0.10 0.00 0.00 175.22 176.91 1l7y s LYS 29 N -2.99 3.18 -0.28 0.44 3.01 -0.50 -4.92 119.74 117.68 1l7y s LYS 29 Ca 0.44 -0.54 -0.12 0.00 -1.01 0.00 0.00 55.97 54.74 1l7y s LYS 29 Cb -0.11 -4.26 -0.05 0.00 -1.01 0.00 0.00 37.83 32.40 1l7y s LYS 29 CO 0.25 -2.01 0.22 0.08 0.51 0.00 0.00 175.35 174.40 1l7y s VAL 30 N 4.98 5.29 -0.17 3.17 1.01 -1.26 -1.03 120.40 132.39 1l7y s VAL 30 Ca 0.30 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1l7y s VAL 30 Cb -0.11 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.72 1l7y s VAL 30 CO 0.12 0.22 -0.20 -0.76 0.00 0.00 0.00 175.10 174.47 1l7y s LEU 31 N 1.81 2.15 -0.41 3.92 1.43 -0.38 -4.95 118.68 122.26 1l7y s LEU 31 Ca 0.08 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 1l7y s LEU 31 Cb -0.16 -1.48 0.06 0.00 0.03 0.00 0.00 46.19 44.64 1l7y s LEU 31 CO 0.11 0.02 0.24 -0.55 0.23 0.00 0.00 176.35 176.40 1l7y s SER 32 N 1.15 5.65 0.09 2.29 0.15 -1.26 -0.99 113.70 120.78 1l7y s SER 32 Ca 0.01 -1.37 0.03 0.00 0.70 0.00 0.00 55.95 55.33 1l7y s SER 32 Cb -0.14 -1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1l7y s SER 32 CO -0.09 -0.49 -0.08 0.68 1.20 0.00 0.00 173.24 174.45 1l7y s VAL 33 N 1.46 0.76 0.79 4.45 -7.23 -0.89 -4.96 120.40 114.77 1l7y s VAL 33 Ca 0.02 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.43 1l7y s VAL 33 Cb -0.22 -1.34 0.06 0.00 0.56 0.00 0.00 36.38 35.45 1l7y s VAL 33 CO 0.03 -0.65 1.10 -2.16 -0.31 0.00 0.00 175.10 173.11 1l7y s PRO 34 N -2.96 2.16 0.43 4.82 0.04 -1.26 -0.46 135.00 137.77 1l7y s PRO 34 Ca 0.05 0.61 0.13 0.00 0.04 0.00 0.00 61.00 61.82 1l7y s PRO 34 Cb -0.01 -1.93 1.00 0.00 0.04 0.00 0.00 34.50 33.60 1l7y s PRO 34 CO -0.02 -1.56 1.98 1.49 0.04 0.00 0.00 177.00 178.94 1l7y h GLU 35 N -1.04 0.42 -0.83 4.56 4.22 -1.91 -1.83 114.58 118.17 1l7y h GLU 35 Ca -0.47 -0.03 0.11 0.00 0.08 0.00 0.00 59.36 59.06 1l7y h GLU 35 Cb 1.27 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 30.34 1l7y h GLU 35 CO 0.60 0.28 0.46 0.77 -2.18 0.00 0.00 179.01 178.94 1l7y h SER 36 N 0.44 0.63 -2.80 1.04 0.02 -1.91 -3.28 113.55 107.68 1l7y h SER 36 Ca 0.27 0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.74 1l7y h SER 36 Cb 0.49 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1l7y h SER 36 CO -0.08 0.33 0.92 -0.89 -1.14 0.00 0.00 176.83 175.97 1l7y s THR 37 N -6.01 3.41 0.73 -2.27 2.01 -0.69 -4.83 115.64 107.99 1l7y s THR 37 Ca -0.12 0.82 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1l7y s THR 37 Cb 0.20 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 69.22 1l7y s THR 37 CO 0.78 -0.01 1.10 -2.16 -0.69 0.00 0.00 174.62 173.65 1l7y s PRO 38 N 2.57 2.63 0.39 4.92 0.04 -1.26 -1.30 135.00 142.99 1l7y s PRO 38 Ca 0.68 0.47 0.28 0.00 0.04 0.00 0.00 61.00 62.48 1l7y s PRO 38 Cb -0.35 -1.99 1.28 0.00 0.04 0.00 0.00 34.50 33.48 1l7y s PRO 38 CO 0.29 -1.20 1.84 0.35 0.04 0.00 0.00 177.00 178.33 1l7y h PHE 39 N -0.77 0.00 -0.52 0.56 3.57 -1.13 -2.68 116.94 115.96 1l7y h PHE 39 Ca -0.45 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1l7y h PHE 39 Cb 1.26 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1l7y h PHE 39 CO 0.48 0.00 0.30 1.79 -2.23 0.00 0.00 178.31 178.65 1l7y h THR 40 N 0.00 1.17 0.03 4.41 1.35 -1.79 0.23 112.91 118.31 1l7y h THR 40 Ca 0.00 -0.41 -0.26 0.00 -0.55 0.00 0.00 66.41 65.18 1l7y h THR 40 Cb 0.28 0.49 0.02 0.00 -1.73 0.00 0.00 68.15 67.21 1l7y h THR 40 CO 0.00 0.18 -1.07 0.00 -0.25 0.00 0.00 175.52 174.37 1l7y h ALA 41 N 1.14 0.16 -0.43 6.62 0.00 -1.87 -2.13 119.26 122.74 1l7y h ALA 41 Ca 0.19 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1l7y h ALA 41 Cb 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1l7y h ALA 41 CO -0.03 0.73 0.24 0.28 0.00 0.00 0.00 179.25 180.48 1l7y h VAL 42 N 0.31 1.15 -0.29 0.00 2.07 -1.28 -1.86 116.25 116.35 1l7y h VAL 42 Ca -0.13 -0.38 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1l7y h VAL 42 Cb 1.73 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1l7y h VAL 42 CO 0.20 0.16 -0.34 0.25 0.02 0.00 0.00 177.57 177.86 1l7y h LEU 43 N 0.57 0.67 -0.62 2.57 6.46 -0.60 -1.90 115.31 122.46 1l7y h LEU 43 Ca 0.15 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.64 1l7y h LEU 43 Cb 0.04 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.75 1l7y h LEU 43 CO -0.03 0.95 0.38 0.11 -0.62 0.00 0.00 178.44 179.24 1l7y h LYS 44 N 0.54 0.84 -0.15 1.25 1.57 -1.01 0.59 116.57 120.20 1l7y h LYS 44 Ca 0.06 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1l7y h LYS 44 Cb 0.84 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1l7y h LYS 44 CO 0.07 0.60 -0.34 0.74 -0.57 0.00 0.00 179.45 179.95 1l7y h PHE 45 N 0.84 0.63 -0.32 -1.35 -1.00 -1.26 -0.82 116.94 113.67 1l7y h PHE 45 Ca 0.22 -0.24 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1l7y h PHE 45 Cb -0.03 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 1l7y h PHE 45 CO -0.02 0.96 0.19 0.00 -1.61 0.00 0.00 178.31 177.84 1l7y h ALA 46 N 0.55 0.41 -0.27 2.45 0.00 -1.16 0.19 119.26 121.43 1l7y h ALA 46 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1l7y h ALA 46 Cb 0.94 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1l7y h ALA 46 CO 0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 179.10 1l7y h ALA 47 N 1.08 0.38 -0.40 0.00 0.00 -0.93 -1.80 119.26 117.58 1l7y h ALA 47 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1l7y h ALA 47 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1l7y h ALA 47 CO -0.02 0.25 0.14 1.49 0.00 0.00 0.00 179.25 181.11 1l7y h GLU 48 N 0.30 0.61 0.00 0.00 4.22 -0.99 -1.35 114.58 117.37 1l7y h GLU 48 Ca 0.06 -0.12 -0.07 0.00 0.08 0.00 0.00 59.36 59.30 1l7y h GLU 48 Cb 0.64 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1l7y h GLU 48 CO 0.04 0.60 -0.36 0.93 -2.18 0.00 0.00 179.01 178.04 1l7y h GLU 49 N 0.51 0.00 0.00 1.92 3.07 -0.62 -3.37 114.58 116.08 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 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1l7y h GLU 49 CO -0.01 0.36 0.00 1.19 -1.40 0.00 0.00 179.01 179.15 1l7y n PHE 50 N -4.04 0.00 0.00 4.33 3.72 -0.68 -5.01 117.46 115.78 1l7y n PHE 50 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1l7y n PHE 50 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 1l7y n PHE 50 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 1l7y n LYS 51 N -0.41 0.00 -3.86 -1.08 2.85 -0.76 -5.09 118.16 109.80 1l7y n LYS 51 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 1l7y n LYS 51 Cb 0.00 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.29 1l7y n LYS 51 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1l7y s VAL 52 N 0.00 0.11 0.06 0.58 -7.23 -0.58 -5.05 120.40 108.29 1l7y s VAL 52 Ca 0.00 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 1l7y s VAL 52 Cb 0.00 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 36.03 1l7y s VAL 52 CO 0.00 -0.50 1.04 -2.16 -0.31 0.00 0.00 175.10 173.17 1l7y s PRO 53 N -2.45 4.57 0.42 4.82 0.04 -1.26 -3.36 135.00 137.77 1l7y s PRO 53 Ca -0.06 1.55 0.11 0.00 0.04 0.00 0.00 61.00 62.64 1l7y s PRO 53 Cb -0.02 -3.39 0.95 0.00 0.04 0.00 0.00 34.50 32.08 1l7y s PRO 53 CO -0.03 -0.02 1.99 0.00 0.04 0.00 0.00 177.00 178.98 1l7y h ALA 54 N 6.29 1.90 -0.74 8.56 0.00 -1.88 -1.60 119.26 131.79 1l7y h ALA 54 Ca -0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1l7y h ALA 54 Cb 1.22 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1l7y h ALA 54 CO 0.75 -0.00 0.43 0.00 0.00 0.00 0.00 179.25 180.43 1l7y h ALA 55 N 1.69 0.95 -0.97 0.00 0.00 -1.92 -2.90 119.26 116.12 1l7y h ALA 55 Ca 0.25 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.43 1l7y h ALA 55 Cb 0.36 -0.30 -0.36 0.00 0.00 0.00 0.00 17.79 17.50 1l7y h ALA 55 CO -0.07 0.45 0.03 2.41 0.00 0.00 0.00 179.25 182.06 1l7y n THR 56 N -4.48 3.04 -3.97 0.00 -1.04 -0.68 -4.73 114.28 102.41 1l7y n THR 56 Ca 0.07 -3.86 -0.09 0.00 -2.04 0.00 0.00 64.05 58.13 1l7y n THR 56 Cb 0.08 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 67.31 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 -2.65 0.25 0.24 8.00 0.15 -0.72 -3.35 113.70 115.62 1l7y s SER 57 Ca 0.56 -0.61 -0.07 0.00 0.70 0.00 0.00 55.95 56.52 1l7y s SER 57 Cb 0.45 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1l7y s SER 57 CO -0.06 -0.48 0.34 0.00 1.20 0.00 0.00 173.24 174.25 1l7y s ALA 58 N -2.58 0.40 -0.11 5.45 0.00 0.38 -4.49 121.76 120.81 1l7y s ALA 58 Ca -0.05 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.65 1l7y s ALA 58 Cb -0.02 1.20 0.02 0.00 0.00 0.00 0.00 23.12 24.33 1l7y s ALA 58 CO -0.05 -0.75 -0.10 0.42 0.00 0.00 0.00 175.76 175.29 1l7y s ILE 59 N -3.98 1.17 0.55 0.00 1.01 -1.00 -0.94 121.20 118.01 1l7y s ILE 59 Ca 0.30 -0.40 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1l7y s ILE 59 Cb 0.02 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 41.42 1l7y s ILE 59 CO 0.11 0.39 0.76 0.27 0.00 0.00 0.00 174.94 176.47 1l7y s ILE 60 N 1.46 2.37 0.44 2.92 -4.36 -0.29 0.43 121.20 124.17 1l7y s ILE 60 Ca 0.01 -0.94 0.08 0.00 -0.26 0.00 0.00 60.65 59.54 1l7y s ILE 60 Cb -0.13 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1l7y s ILE 60 CO -0.06 0.00 0.46 0.42 0.24 0.00 0.00 174.94 175.99 1l7y s THR 61 N -2.65 2.58 0.33 8.37 -4.23 -0.09 -0.00 115.64 119.95 1l7y s THR 61 Ca 0.61 -1.26 0.26 0.00 -1.18 0.00 0.00 61.69 60.12 1l7y s THR 61 Cb -0.07 -2.84 0.26 0.00 1.34 0.00 0.00 72.50 71.20 1l7y s THR 61 CO 0.38 0.00 1.98 -0.55 -0.54 0.00 0.00 174.62 175.89 1l7y h ASN 62 N 0.84 0.00 0.01 3.99 -1.07 -1.91 -3.13 115.58 114.32 1l7y h ASN 62 Ca -0.40 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.95 1l7y h ASN 62 Cb 1.27 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.52 1l7y h ASN 62 CO 0.53 0.17 -0.11 0.44 0.07 0.00 0.00 177.43 178.53 1l7y h ASP 63 N 0.00 0.03 0.00 6.14 3.32 -1.94 -3.48 116.42 120.49 1l7y h ASP 63 Ca -0.00 -0.98 0.00 0.00 0.02 0.00 0.00 57.03 56.07 1l7y h ASP 63 Cb 0.48 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1l7y h ASP 63 CO 0.02 1.05 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 1l7y n GLY 64 N 1.61 -0.14 2.96 2.75 0.00 -1.18 -5.15 105.19 106.04 1l7y n GLY 64 Ca -0.11 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 1.38 -1.03 1.61 1.01 -1.26 -4.89 120.40 117.21 1l7y s VAL 65 Ca 0.00 -0.68 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1l7y s VAL 65 Cb 0.00 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1l7y s VAL 65 CO 0.00 0.28 1.75 -0.83 0.00 0.00 0.00 175.10 176.29 1l7y s GLY 66 N 1.54 0.74 0.04 4.51 0.00 -1.26 -0.91 107.32 111.98 1l7y s GLY 66 Ca 0.02 -2.04 -0.31 0.00 0.00 0.00 0.00 44.72 42.39 1l7y s GLY 66 CO -0.09 3.12 1.32 0.14 0.00 0.00 0.00 173.10 177.60 1l7y s VAL 67 N 7.69 3.73 0.31 1.40 1.01 0.17 -4.91 120.40 129.81 1l7y s VAL 67 Ca 0.59 1.19 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1l7y s VAL 67 Cb -0.02 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1l7y s VAL 67 CO -0.01 0.05 0.34 0.20 0.00 0.00 0.00 175.10 175.68 1l7y s ASN 68 N 1.39 5.67 -1.32 3.32 0.01 -1.26 -2.37 114.94 120.37 1l7y s ASN 68 Ca 0.62 -0.29 -0.14 0.00 -0.71 0.00 0.00 52.86 52.34 1l7y s ASN 68 Cb -0.32 -1.24 -0.03 0.00 0.41 0.00 0.00 41.25 40.07 1l7y s ASN 68 CO 0.28 -0.29 2.33 -0.81 -1.51 0.00 0.00 177.10 177.10 1l7y n PRO 69 N -1.43 2.73 0.00 -0.60 -0.04 -1.26 -4.06 135.00 130.35 1l7y n PRO 69 Ca -0.03 -2.27 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 1l7y n PRO 69 Cb 0.59 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 5.60 1.99 -1.99 0.55 0.00 -1.26 -4.21 120.51 121.18 1l7y n ALA 70 Ca 0.57 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.72 1l7y n ALA 70 Cb 0.33 0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.41 3.30 0.61 0.00 -0.21 -1.26 -4.79 119.66 115.90 1l7y s GLN 71 Ca 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 55.36 55.69 1l7y s GLN 71 Cb 0.00 -2.16 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 1l7y s GLN 71 CO 0.00 -0.62 1.03 -1.25 -2.12 0.00 0.00 175.29 172.33 1l7y s PRO 72 N -5.10 3.47 0.30 2.91 0.04 -1.26 -0.64 135.00 134.72 1l7y s PRO 72 Ca 0.54 0.91 0.01 0.00 0.04 0.00 0.00 61.00 62.51 1l7y s PRO 72 Cb -0.11 -2.06 0.55 0.00 0.04 0.00 0.00 34.50 32.92 1l7y s PRO 72 CO 0.50 -0.67 1.88 0.00 0.04 0.00 0.00 177.00 178.75 1l7y h ALA 73 N -0.03 1.54 -0.46 8.56 0.00 -1.26 -0.41 119.26 127.20 1l7y h ALA 73 Ca -0.45 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.47 1l7y h ALA 73 Cb 1.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1l7y h ALA 73 CO 0.60 0.28 0.27 0.78 0.00 0.00 0.00 179.25 181.18 1l7y h GLY 74 N 1.00 0.64 1.31 0.00 0.00 -1.81 -0.73 103.07 103.48 1l7y h GLY 74 Ca 0.43 -0.20 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 1l7y h GLY 74 CO -0.19 0.18 -0.57 -0.57 0.00 0.00 0.00 176.54 175.38 1l7y h ASN 75 N 0.54 0.81 -0.49 0.19 -0.73 -1.71 -0.29 115.58 113.90 1l7y h ASN 75 Ca 0.18 -0.44 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 1l7y h ASN 75 Cb 0.01 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.35 1l7y h ASN 75 CO -0.08 1.21 0.26 0.40 -0.37 0.00 0.00 177.43 178.84 1l7y h ILE 76 N 0.54 1.18 -0.12 2.57 1.08 -0.76 0.28 117.51 122.29 1l7y h ILE 76 Ca 0.00 -0.48 -0.22 0.00 -0.39 0.00 0.00 64.86 63.77 1l7y h ILE 76 Cb 1.16 0.60 0.01 0.00 -3.07 0.00 0.00 36.82 35.51 1l7y h ILE 76 CO 0.12 0.20 -0.80 0.15 -0.69 0.00 0.00 178.15 177.12 1l7y h PHE 77 N 0.65 0.97 -0.53 1.37 3.57 -1.13 0.10 116.94 121.94 1l7y h PHE 77 Ca 0.17 -0.44 -0.12 0.00 3.53 0.00 0.00 57.97 61.11 1l7y h PHE 77 Cb 0.08 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1l7y h PHE 77 CO -0.01 1.26 -0.13 1.25 -2.23 0.00 0.00 178.31 178.45 1l7y h LEU 78 N 0.47 1.03 0.00 0.59 5.85 -0.83 -2.24 115.31 120.18 1l7y h LEU 78 Ca -0.06 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1l7y h LEU 78 Cb 1.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1l7y h LEU 78 CO 0.16 1.15 -0.36 0.11 -0.34 0.00 0.00 178.44 179.15 1l7y h LYS 79 N 0.90 0.00 0.00 1.25 1.79 -0.47 -3.44 116.57 116.60 1l7y h LYS 79 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1l7y h LYS 79 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 1l7y h LYS 79 CO 0.05 0.36 -0.26 0.72 -1.08 0.00 0.00 179.45 179.25 1l7y n HIS 80 N -4.64 0.41 0.00 -1.35 8.25 0.22 -5.08 115.22 113.03 1l7y n HIS 80 Ca -0.10 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1l7y n HIS 80 Cb 0.29 -0.48 0.00 0.00 1.12 0.00 0.00 29.99 30.92 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 1.67 0.31 0.32 -1.41 0.00 -0.46 -4.88 105.19 100.74 1l7y n GLY 81 Ca -0.04 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 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 1.87 -4.59 1.61 3.41 -1.26 -4.14 113.62 110.52 1l7y n SER 82 Ca 0.00 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 1l7y n SER 82 Cb 0.00 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1l7y n SER 82 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1l7y s GLU 83 N -2.29 3.00 0.18 4.33 -6.30 -1.26 -0.46 118.70 115.90 1l7y s GLU 83 Ca -0.21 1.95 0.01 0.00 -2.50 0.00 0.00 54.97 54.22 1l7y s GLU 83 Cb 0.07 -4.40 -0.04 0.00 0.00 0.00 0.00 34.13 29.76 1l7y s GLU 83 CO 0.30 -2.26 0.05 -0.51 0.02 0.00 0.00 175.26 172.86 1l7y s LEU 84 N 8.80 1.85 0.25 2.70 1.43 0.41 -4.03 118.68 130.08 1l7y s LEU 84 Ca 1.00 -1.24 0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1l7y s LEU 84 Cb -0.31 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 45.97 1l7y s LEU 84 CO 0.34 -0.67 -0.19 -0.13 0.23 0.00 0.00 176.35 175.93 1l7y s ARG 85 N -4.00 1.56 -0.26 1.70 3.00 1.00 -2.17 118.95 119.78 1l7y s ARG 85 Ca 0.27 -1.69 -0.06 0.00 0.00 0.00 0.00 55.73 54.25 1l7y s ARG 85 Cb 0.07 -1.60 -0.01 0.00 0.00 0.00 0.00 34.95 33.41 1l7y s ARG 85 CO 0.05 0.30 0.05 -1.17 0.00 0.00 0.00 175.30 174.54 1l7y s LEU 86 N -3.35 3.51 0.03 2.53 2.96 0.40 -1.13 118.68 123.62 1l7y s LEU 86 Ca 0.27 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.81 1l7y s LEU 86 Cb -0.04 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1l7y s LEU 86 CO 0.12 -0.10 -0.23 -0.51 -1.32 0.00 0.00 176.35 174.31 1l7y s ILE 87 N 1.54 2.36 -1.21 6.68 2.07 -0.12 -3.14 121.20 129.38 1l7y s ILE 87 Ca 0.05 -1.27 -0.19 0.00 -1.41 0.00 0.00 60.65 57.83 1l7y s ILE 87 Cb -0.16 -1.93 -0.02 0.00 0.13 0.00 0.00 42.46 40.48 1l7y s ILE 87 CO 0.02 0.40 1.96 -0.81 -1.91 0.00 0.00 174.94 174.59 1l7y n PRO 88 N 1.82 2.40 -1.37 3.50 -0.04 -1.26 -0.47 135.00 139.57 1l7y n PRO 88 Ca -0.17 -2.61 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1l7y n PRO 88 Cb 0.52 -3.36 0.00 0.00 -0.04 0.00 0.00 33.50 30.61 1l7y n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1l7y n ARG 89 N 7.44 -3.09 -0.06 0.54 5.12 -1.21 -4.83 116.66 120.56 1l7y n ARG 89 Ca 0.49 2.42 -0.12 0.00 -1.93 0.00 0.00 57.85 58.71 1l7y n ARG 89 Cb 0.43 -2.37 -0.06 0.00 -1.16 0.00 0.00 32.46 29.31 1l7y n ARG 89 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1l7y h ASP 90 N 2.39 0.30 -0.39 0.55 3.32 -1.89 -3.45 116.42 117.24 1l7y h ASP 90 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1l7y h ASP 90 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1l7y h ASP 90 CO 0.00 0.53 0.00 -2.11 -1.72 0.00 0.00 179.24 175.94 1l7y n ARG 91 N -4.73 3.10 -1.05 3.56 1.85 -1.26 -5.03 116.66 113.10 1l7y n ARG 91 Ca -0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.46 1l7y n ARG 91 Cb 0.22 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.73 1l7y n ARG 91 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 1l7y n VAL 92 N 0.00 1.23 -2.06 8.89 0.24 -1.26 -4.78 118.33 120.58 1l7y n VAL 92 Ca 0.00 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.34 61.76 1l7y n VAL 92 Cb 0.00 -0.83 -0.05 0.00 -1.47 0.00 0.00 33.84 31.49 1l7y n VAL 92 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1l7y s GLY 93 N -1.84 0.20 0.00 7.63 0.00 -1.26 -4.93 107.32 107.12 1l7y s GLY 93 Ca 0.65 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1l7y s GLY 93 CO 0.59 3.48 0.02 1.42 0.00 0.00 0.00 173.10 178.61