#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f76 n GLY 2 N 0.00 0.75 2.99 -5.12 0.00 -1.26 -5.04 105.19 97.51 2f76 n GLY 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2f76 n GLY 2 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2f76 s GLN 3 N -0.52 0.34 0.15 1.61 0.74 -1.26 -5.05 119.66 115.67 2f76 s GLN 3 Ca 0.00 -0.59 -0.13 0.00 0.05 0.00 0.00 55.36 54.69 2f76 s GLN 3 Cb 0.00 0.01 0.03 0.00 1.10 0.00 0.00 33.01 34.15 2f76 s GLN 3 CO 0.00 -0.02 1.65 1.49 -0.55 0.00 0.00 175.29 177.86 2f76 h GLU 4 N 4.74 0.84 -5.42 1.67 4.81 -2.10 -3.42 114.58 115.71 2f76 h GLU 4 Ca -0.32 -0.21 -0.64 0.00 -0.13 0.00 0.00 59.36 58.05 2f76 h GLU 4 Cb 1.21 -0.11 -0.21 0.00 0.63 0.00 0.00 28.75 30.27 2f76 h GLU 4 CO 0.42 0.81 -0.67 -1.17 -0.73 0.00 0.00 179.01 177.67 2f76 s LEU 5 N -9.56 3.22 0.18 1.64 2.96 -1.26 -5.04 118.68 110.83 2f76 s LEU 5 Ca -0.13 -0.12 -0.11 0.00 -0.22 0.00 0.00 54.13 53.56 2f76 s LEU 5 Cb 0.12 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 2f76 s LEU 5 CO 0.80 0.20 0.35 -0.94 -1.32 0.00 0.00 176.35 175.44 2f76 s SER 6 N 0.18 -0.02 0.34 3.68 1.04 -1.26 -4.90 113.70 112.75 2f76 s SER 6 Ca -0.02 -0.84 0.09 0.00 0.48 0.00 0.00 55.95 55.66 2f76 s SER 6 Cb -0.14 0.48 0.62 0.00 0.10 0.00 0.00 66.02 67.08 2f76 s SER 6 CO 0.03 -0.96 1.80 1.56 0.98 0.00 0.00 173.24 176.65 2f76 h GLN 7 N 2.45 0.20 -0.55 4.02 4.20 -2.00 -2.81 115.11 120.62 2f76 h GLN 7 Ca -0.30 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.24 2f76 h GLN 7 Cb 1.24 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 2f76 h GLN 7 CO 0.45 0.49 -0.01 0.45 -0.67 0.00 0.00 178.83 179.53 2f76 h HIS 8 N 0.18 1.04 -0.69 2.96 3.86 -2.00 -2.50 115.15 117.99 2f76 h HIS 8 Ca 0.03 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 2f76 h HIS 8 Cb 0.63 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 2f76 h HIS 8 CO 0.01 0.94 0.17 0.93 0.86 0.00 0.00 177.93 180.83 2f76 h GLU 9 N 0.88 1.10 -0.83 2.45 5.08 -1.91 -2.63 114.58 118.73 2f76 h GLU 9 Ca 0.16 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2f76 h GLU 9 Cb 0.53 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 2f76 h GLU 9 CO 0.03 0.97 0.42 0.00 -1.00 0.00 0.00 179.01 179.43 2f76 h ARG 10 N 1.05 1.18 -0.58 2.33 3.08 -1.32 -1.69 114.38 118.43 2f76 h ARG 10 Ca 0.22 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2f76 h ARG 10 Cb 0.37 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 2f76 h ARG 10 CO 0.00 0.89 0.36 -0.92 -1.07 0.00 0.00 179.97 179.24 2f76 h TYR 11 N 1.17 0.75 -0.19 3.04 3.20 -1.15 -2.54 116.97 121.25 2f76 h TYR 11 Ca 0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 2f76 h TYR 11 Cb 0.08 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2f76 h TYR 11 CO 0.01 0.50 0.10 0.28 -1.64 0.00 0.00 178.16 177.41 2f76 h VAL 12 N 0.78 1.12 -1.01 1.81 2.07 -1.12 -2.34 116.25 117.56 2f76 h VAL 12 Ca 0.21 -0.33 0.23 0.00 0.82 0.00 0.00 66.70 67.63 2f76 h VAL 12 Cb -0.05 0.98 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 2f76 h VAL 12 CO -0.04 0.11 0.62 -0.33 0.02 0.00 0.00 177.57 177.95 2f76 h GLU 13 N 0.20 0.57 -0.15 1.57 5.08 -1.02 0.32 114.58 121.16 2f76 h GLU 13 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2f76 h GLU 13 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2f76 h GLU 13 CO -0.01 0.38 0.06 1.96 -1.00 0.00 0.00 179.01 180.40 2f76 h GLN 14 N 0.59 0.22 -0.65 2.33 4.20 -1.02 -2.14 115.11 118.65 2f76 h GLN 14 Ca 0.60 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.21 2f76 h GLN 14 Cb 1.17 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.89 2f76 h GLN 14 CO -0.38 0.31 0.15 -0.07 -0.67 0.00 0.00 178.83 178.17 2f76 h LEU 15 N 0.09 0.98 -0.97 1.46 3.38 -0.73 -2.19 115.31 117.33 2f76 h LEU 15 Ca 0.05 -0.24 0.14 0.00 0.09 0.00 0.00 57.88 57.92 2f76 h LEU 15 Cb 0.17 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2f76 h LEU 15 CO -0.00 0.97 0.59 0.11 0.09 0.00 0.00 178.44 180.19 2f76 h LYS 16 N 0.96 0.85 0.11 1.13 1.57 -0.22 0.96 116.57 121.93 2f76 h LYS 16 Ca 0.20 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2f76 h LYS 16 Cb 0.37 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2f76 h LYS 16 CO 0.00 0.56 -0.05 1.96 -0.57 0.00 0.00 179.45 181.35 2f76 h GLN 17 N 0.88 -0.14 -0.59 3.15 1.08 -0.96 -1.77 115.11 116.75 2f76 h GLN 17 Ca 0.51 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.68 2f76 h GLN 17 Cb 0.60 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.04 2f76 h GLN 17 CO -0.30 0.28 0.23 0.00 -0.95 0.00 0.00 178.83 178.09 2f76 h ALA 18 N 0.16 0.77 -0.86 3.87 0.00 -0.90 -2.70 119.26 119.61 2f76 h ALA 18 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2f76 h ALA 18 Cb 0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2f76 h ALA 18 CO 0.03 0.40 0.49 -0.07 0.00 0.00 0.00 179.25 180.09 2f76 h LEU 19 N 0.83 1.05 -0.90 0.00 3.38 0.89 -2.03 115.31 118.53 2f76 h LEU 19 Ca 0.20 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2f76 h LEU 19 Cb 0.22 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2f76 h LEU 19 CO -0.01 0.83 0.59 0.11 0.09 0.00 0.00 178.44 180.04 2f76 h LYS 20 N 1.19 1.12 -0.98 1.13 1.57 -1.00 -1.15 116.57 118.45 2f76 h LYS 20 Ca 0.30 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.02 2f76 h LYS 20 Cb 0.00 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.01 2f76 h LYS 20 CO -0.05 0.74 0.64 1.15 -0.57 0.00 0.00 179.45 181.36 2f76 h THR 21 N 1.15 1.25 0.00 -0.16 2.02 -1.15 -0.48 112.91 115.54 2f76 h THR 21 Ca 0.35 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2f76 h THR 21 Cb -0.02 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.20 2f76 h THR 21 CO -0.11 0.25 0.00 0.54 0.37 0.00 0.00 175.52 176.57 2f76 n ARG 22 N -4.38 0.09 0.00 6.66 1.74 -0.50 -4.76 116.66 115.51 2f76 n ARG 22 Ca 0.11 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.71 2f76 n ARG 22 Cb 0.02 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 2f76 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f76 n GLY 23 N -0.99 1.47 3.71 -0.13 0.00 -0.20 -4.96 105.19 104.09 2f76 n GLY 23 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2f76 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f76 s VAL 24 N -2.00 5.13 -0.46 1.61 1.01 -0.82 -5.01 120.40 119.86 2f76 s VAL 24 Ca 0.00 1.12 0.03 0.00 0.00 0.00 0.00 61.98 63.13 2f76 s VAL 24 Cb 0.00 -3.90 0.13 0.00 0.00 0.00 0.00 36.38 32.61 2f76 s VAL 24 CO 0.00 0.27 0.23 -0.54 0.00 0.00 0.00 175.10 175.06 2f76 s LYS 25 N 0.89 1.60 0.13 2.72 1.02 -1.26 -4.20 119.74 120.64 2f76 s LYS 25 Ca 0.29 -2.24 0.01 0.00 0.02 0.00 0.00 55.97 54.05 2f76 s LYS 25 Cb -0.16 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2f76 s LYS 25 CO 0.12 -1.11 -0.02 0.14 -0.92 0.00 0.00 175.35 173.57 2f76 s VAL 26 N 0.15 0.55 0.93 3.17 -7.23 -1.26 -5.16 120.40 111.55 2f76 s VAL 26 Ca 0.16 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 2f76 s VAL 26 Cb -0.24 -1.90 0.15 0.00 0.56 0.00 0.00 36.38 34.95 2f76 s VAL 26 CO -0.02 -0.66 1.12 -0.54 -0.31 0.00 0.00 175.10 174.69 2f76 s LYS 27 N -3.91 1.00 0.01 4.82 1.02 -1.26 -4.98 119.74 116.44 2f76 s LYS 27 Ca 0.18 0.37 -0.25 0.00 0.02 0.00 0.00 55.97 56.30 2f76 s LYS 27 Cb 0.06 -1.82 -0.16 0.00 -0.52 0.00 0.00 37.83 35.40 2f76 s LYS 27 CO -0.01 -2.31 1.18 -0.92 -0.92 0.00 0.00 175.35 172.38 2f76 h TYR 28 N -1.58 -0.46 0.00 3.18 3.20 -2.02 -3.11 116.97 116.18 2f76 h TYR 28 Ca -0.51 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.34 2f76 h TYR 28 Cb 1.33 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 2f76 h TYR 28 CO 0.30 -0.13 -0.01 0.00 -1.64 0.00 0.00 178.16 176.69 2f76 h ALA 29 N -0.40 1.40 0.29 1.82 0.00 -1.98 -2.72 119.26 117.67 2f76 h ALA 29 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2f76 h ALA 29 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2f76 h ALA 29 CO 0.08 0.01 -0.21 -0.44 0.00 0.00 0.00 179.25 178.69 2f76 h ASP 30 N 0.00 -0.53 0.43 0.00 3.32 -1.89 0.14 116.42 117.89 2f76 h ASP 30 Ca -0.00 0.04 -0.24 0.00 0.02 0.00 0.00 57.03 56.85 2f76 h ASP 30 Cb 0.02 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2f76 h ASP 30 CO 0.00 -0.32 -1.02 -0.07 -1.72 0.00 0.00 179.24 176.11 2f76 h LEU 31 N -0.50 0.49 -0.44 1.55 -0.00 -1.64 -2.56 115.31 112.22 2f76 h LEU 31 Ca -0.02 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.88 57.41 2f76 h LEU 31 Cb 0.43 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 2f76 h LEU 31 CO 0.00 1.25 0.18 0.25 -0.00 0.00 0.00 178.44 180.12 2f76 h LEU 32 N 0.18 0.61 -0.49 1.67 5.85 -1.41 -1.00 115.31 120.71 2f76 h LEU 32 Ca -0.09 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 2f76 h LEU 32 Cb 1.68 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 2f76 h LEU 32 CO 0.17 0.61 -0.00 0.11 -0.34 0.00 0.00 178.44 178.99 2f76 h LYS 33 N 0.57 0.87 -0.31 1.25 1.57 -0.78 -2.05 116.57 117.68 2f76 h LYS 33 Ca 0.15 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2f76 h LYS 33 Cb 0.19 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2f76 h LYS 33 CO -0.01 0.91 0.13 0.35 -0.57 0.00 0.00 179.45 180.26 2f76 h PHE 34 N 0.73 0.24 0.00 -1.35 3.04 -1.18 0.25 116.94 118.67 2f76 h PHE 34 Ca 0.14 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 2f76 h PHE 34 Cb 0.52 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2f76 h PHE 34 CO 0.04 0.12 -0.18 0.74 -2.02 0.00 0.00 178.31 177.01 2f76 h PHE 35 N 0.28 0.00 0.00 0.41 0.04 -1.10 -1.24 116.94 115.34 2f76 h PHE 35 Ca 0.13 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.78 2f76 h PHE 35 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 2f76 h PHE 35 CO -0.11 0.18 -0.56 -0.44 -0.60 0.00 0.00 178.31 176.78 2f76 h ASP 36 N 0.00 0.00 0.21 2.17 3.32 -0.44 -2.80 116.42 118.87 2f76 h ASP 36 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2f76 h ASP 36 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 2f76 h ASP 36 CO 0.02 0.56 -0.10 0.15 -1.72 0.00 0.00 179.24 178.16 2f76 h PHE 37 N 0.00 -0.26 -0.62 4.55 3.04 0.66 0.46 116.94 124.78 2f76 h PHE 37 Ca -0.01 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 2f76 h PHE 37 Cb 1.35 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.92 2f76 h PHE 37 CO 0.00 0.03 0.07 -0.24 -2.02 0.00 0.00 178.31 176.15 2f76 h VAL 38 N -0.55 1.26 -0.66 1.41 3.04 -1.60 -2.72 116.25 116.43 2f76 h VAL 38 Ca -0.03 -1.05 -0.04 0.00 -1.01 0.00 0.00 66.70 64.57 2f76 h VAL 38 Cb 0.41 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 30.39 2f76 h VAL 38 CO 0.05 0.39 0.26 0.11 -1.01 0.00 0.00 177.57 177.36 2f76 h LYS 39 N 0.95 0.98 0.06 4.17 1.57 -1.46 3.63 116.57 126.47 2f76 h LYS 39 Ca 0.18 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2f76 h LYS 39 Cb 0.47 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2f76 h LYS 39 CO 0.02 0.80 -0.03 -0.44 -0.57 0.00 0.00 179.45 179.23 2f76 h ASP 40 N 0.96 -0.08 0.10 0.86 3.32 -0.59 -2.86 116.42 118.13 2f76 h ASP 40 Ca 0.22 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.05 2f76 h ASP 40 Cb 0.20 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 2f76 h ASP 40 CO -0.02 -0.06 -2.13 0.35 -1.72 0.00 0.00 179.24 175.67 2f76 n THR 41 N -5.13 0.96 -3.73 0.35 -2.24 -1.11 -4.71 114.28 98.67 2f76 n THR 41 Ca -0.07 -0.73 -0.28 0.00 -2.27 0.00 0.00 64.05 60.69 2f76 n THR 41 Cb 0.07 -0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 67.80 2f76 n THR 41 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h PRO 43 N 5.73 0.06 -6.92 0.00 0.11 -1.50 -3.17 132.00 126.31 2f76 h PRO 43 Ca 0.14 -0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.77 2f76 h PRO 43 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2f76 h PRO 43 CO 0.58 0.05 0.40 1.67 -0.21 0.00 0.00 178.00 180.48 2f76 s TRP 44 N -5.11 3.44 -0.31 0.65 -2.14 -1.26 -4.88 118.94 109.33 2f76 s TRP 44 Ca -0.05 1.70 0.09 0.00 2.66 0.00 0.00 56.10 60.50 2f76 s TRP 44 Cb 0.17 -3.07 0.32 0.00 -3.10 0.00 0.00 33.47 27.79 2f76 s TRP 44 CO 0.68 -0.33 1.32 1.97 -2.66 0.00 0.00 176.95 177.93 2f76 n PHE 45 N 0.27 -1.77 -0.03 1.66 -1.74 -1.26 -4.94 117.46 109.65 2f76 n PHE 45 Ca 0.03 -1.46 0.00 0.00 -0.56 0.00 0.00 57.45 55.46 2f76 n PHE 45 Cb 0.49 1.41 0.00 0.00 1.52 0.00 0.00 39.48 42.90 2f76 n PHE 45 CO 0.00 0.00 0.00 -0.35 -0.56 0.00 0.00 176.76 175.85 2f76 n PRO 46 N -1.03 0.69 -1.89 3.97 -0.04 -1.26 -4.92 135.00 130.52 2f76 n PRO 46 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2f76 n PRO 46 Cb 0.80 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.26 2f76 n PRO 46 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2f76 n GLN 47 N -0.21 -4.92 0.00 0.54 6.02 -1.26 -5.02 117.38 112.53 2f76 n GLN 47 Ca 0.00 3.56 0.00 0.00 -0.01 0.00 0.00 57.00 60.55 2f76 n GLN 47 Cb 0.00 -3.98 0.00 0.00 1.02 0.00 0.00 30.24 27.28 2f76 n GLN 47 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2f76 n GLU 48 N 0.42 2.88 0.00 -1.09 2.13 -1.26 -4.87 120.64 118.85 2f76 n GLU 48 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2f76 n GLU 48 Cb 0.00 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.47 2f76 n GLU 48 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2f76 n GLY 49 N 0.00 -1.66 3.68 8.31 0.00 -1.26 -4.81 105.19 109.45 2f76 n GLY 49 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2f76 n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2f76 s THR 50 N 0.00 2.52 -0.59 2.61 -4.23 -1.26 -4.74 115.64 109.96 2f76 s THR 50 Ca 0.00 0.17 -0.41 0.00 -1.18 0.00 0.00 61.69 60.27 2f76 s THR 50 Cb 0.00 -2.50 -0.19 0.00 1.34 0.00 0.00 72.50 71.14 2f76 s THR 50 CO 0.00 -0.22 2.23 -0.38 -0.54 0.00 0.00 174.62 175.70 2f76 n ILE 51 N -4.07 0.00 -0.02 2.99 5.41 -1.26 -4.72 119.36 117.69 2f76 n ILE 51 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.82 2f76 n ILE 51 Cb 0.54 -0.50 -0.05 0.00 -0.71 0.00 0.00 39.64 38.93 2f76 n ILE 51 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2f76 n ASP 52 N 7.99 3.52 0.16 4.38 2.03 -1.26 -4.55 116.55 128.82 2f76 n ASP 52 Ca 0.57 0.00 0.19 0.00 0.52 0.00 0.00 54.79 56.06 2f76 n ASP 52 Cb -0.03 0.91 0.73 0.00 -0.72 0.00 0.00 41.12 42.02 2f76 n ASP 52 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2f76 h ILE 53 N 0.00 0.23 -0.97 5.18 2.04 -1.91 0.18 117.51 122.25 2f76 h ILE 53 Ca -0.10 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.89 2f76 h ILE 53 Cb 0.93 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 2f76 h ILE 53 CO 0.01 0.00 0.60 0.50 0.00 0.00 0.00 178.15 179.26 2f76 h LYS 54 N 0.00 0.91 -0.49 2.37 3.64 -1.97 0.14 116.57 121.17 2f76 h LYS 54 Ca 0.14 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2f76 h LYS 54 Cb 1.07 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2f76 h LYS 54 CO -0.00 0.60 -0.07 0.00 -2.27 0.00 0.00 179.45 177.71 2f76 h ARG 55 N 0.94 0.87 -0.03 1.90 3.08 -0.97 0.32 114.38 120.49 2f76 h ARG 55 Ca 0.49 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2f76 h ARG 55 Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2f76 h ARG 55 CO -0.28 0.91 -0.00 2.35 -1.07 0.00 0.00 179.97 181.88 2f76 h TRP 56 N 0.79 0.06 -0.21 3.04 7.01 -0.91 -3.00 115.95 122.73 2f76 h TRP 56 Ca 0.14 -0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 2f76 h TRP 56 Cb 0.57 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2f76 h TRP 56 CO 0.03 0.35 -0.36 0.00 -2.79 0.00 0.00 178.44 175.67 2f76 h ARG 57 N -0.26 0.46 -0.58 2.65 3.08 -0.87 -2.93 114.38 115.92 2f76 h ARG 57 Ca 0.01 -0.21 0.10 0.00 0.07 0.00 0.00 59.98 59.94 2f76 h ARG 57 Cb 0.33 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.30 2f76 h ARG 57 CO 0.00 0.76 0.18 0.00 -1.07 0.00 0.00 179.97 179.83 2f76 h ARG 58 N 0.39 0.32 -0.36 0.04 3.08 -0.26 1.58 114.38 119.16 2f76 h ARG 58 Ca 0.04 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 2f76 h ARG 58 Cb 0.82 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2f76 h ARG 58 CO 0.07 0.21 -0.06 0.28 -1.07 0.00 0.00 179.97 179.40 2f76 h VAL 59 N 0.33 1.27 -0.32 2.04 2.07 -1.44 -1.76 116.25 118.44 2f76 h VAL 59 Ca 0.30 -1.10 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 2f76 h VAL 59 Cb 0.40 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2f76 h VAL 59 CO -0.34 0.36 -0.29 1.23 0.02 0.00 0.00 177.57 178.56 2f76 h GLY 60 N 0.48 0.82 1.00 2.17 0.00 -1.14 -1.50 103.07 104.90 2f76 h GLY 60 Ca 0.10 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 2f76 h GLY 60 CO 0.03 0.75 0.39 -0.55 0.00 0.00 0.00 176.54 177.16 2f76 h ASP 61 N 0.52 0.76 0.37 0.19 3.32 0.23 0.96 116.42 122.76 2f76 h ASP 61 Ca 0.05 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2f76 h ASP 61 Cb 0.86 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.22 2f76 h ASP 61 CO 0.07 0.59 -0.18 0.00 -1.72 0.00 0.00 179.24 178.00 2f76 h PHE 63 N -0.80 0.48 0.00 0.00 0.04 -1.18 -0.77 116.94 114.72 2f76 h PHE 63 Ca -0.05 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2f76 h PHE 63 Cb 0.53 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 2f76 h PHE 63 CO 0.01 0.37 -0.16 0.37 -0.60 0.00 0.00 178.31 178.31 2f76 h GLN 64 N 0.49 0.00 -0.02 1.51 -0.00 0.11 0.12 115.11 117.33 2f76 h GLN 64 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2f76 h GLN 64 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.56 2f76 h GLN 64 CO -0.02 0.16 0.00 0.22 0.00 0.00 0.00 178.83 179.20 2f76 h ASP 65 N 0.00 0.03 -0.13 -0.69 1.82 -0.28 0.15 116.42 117.32 2f76 h ASP 65 Ca -0.00 -0.25 -0.17 0.00 -0.39 0.00 0.00 57.03 56.21 2f76 h ASP 65 Cb 0.29 -0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.30 2f76 h ASP 65 CO 0.02 0.27 -0.59 0.22 -1.61 0.00 0.00 179.24 177.55 2f76 h TYR 66 N -0.22 0.84 -0.32 0.28 5.03 -1.47 -2.68 116.97 118.44 2f76 h TYR 66 Ca 0.01 -0.37 -0.00 0.00 2.58 0.00 0.00 58.73 60.95 2f76 h TYR 66 Cb 0.26 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.39 2f76 h TYR 66 CO 0.01 1.16 0.19 1.88 -1.32 0.00 0.00 178.16 180.09 2f76 h TYR 67 N 0.28 0.42 -0.59 -3.82 -1.99 -0.75 0.10 116.97 110.62 2f76 h TYR 67 Ca -0.04 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 2f76 h TYR 67 Cb 1.23 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.80 2f76 h TYR 67 CO 0.10 0.30 0.19 -0.91 -0.00 0.00 0.00 178.16 177.84 2f76 h ASN 68 N 0.41 0.85 -0.20 3.88 -0.26 -0.64 0.48 115.58 120.10 2f76 h ASN 68 Ca 0.11 -0.21 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 2f76 h ASN 68 Cb 0.01 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 2f76 h ASN 68 CO -0.02 0.83 0.08 0.74 -1.06 0.00 0.00 177.43 178.00 2f76 h THR 69 N 0.83 1.15 -0.55 2.81 2.02 -1.24 -2.88 112.91 115.06 2f76 h THR 69 Ca 0.19 -0.46 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 2f76 h THR 69 Cb 0.28 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2f76 h THR 69 CO -0.01 0.15 0.15 0.15 0.37 0.00 0.00 175.52 176.33 2f76 h PHE 70 N 0.17 0.90 0.00 3.16 3.04 -0.60 -3.48 116.94 120.13 2f76 h PHE 70 Ca 0.07 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2f76 h PHE 70 Cb 0.16 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 38.41 2f76 h PHE 70 CO -0.02 0.77 0.00 0.41 -2.02 0.00 0.00 178.31 177.46 2f76 n GLY 71 N -0.66 0.31 2.44 2.40 0.00 0.16 -5.09 105.19 104.76 2f76 n GLY 71 Ca 0.02 0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 2f76 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2f76 n PRO 72 N 0.00 0.00 -0.11 1.61 -0.02 -0.81 -4.54 135.00 131.13 2f76 n PRO 72 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2f76 n PRO 72 Cb 0.00 -1.02 0.33 0.00 -0.02 0.00 0.00 33.50 32.79 2f76 n PRO 72 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2f76 n GLU 73 N 5.76 1.85 -0.23 -0.52 0.28 -1.26 -3.16 120.64 123.36 2f76 n GLU 73 Ca 0.46 -1.28 0.23 0.00 -0.16 0.00 0.00 57.16 56.41 2f76 n GLU 73 Cb 0.03 -1.40 0.43 0.00 1.43 0.00 0.00 31.44 31.93 2f76 n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2f76 n LYS 74 N 0.51 -0.04 -3.90 3.44 4.81 -1.26 -2.08 118.16 119.63 2f76 n LYS 74 Ca 0.16 1.01 -0.30 0.00 -0.87 0.00 0.00 58.31 58.30 2f76 n LYS 74 Cb 0.36 -1.81 -0.13 0.00 0.02 0.00 0.00 35.03 33.48 2f76 n LYS 74 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2f76 s VAL 75 N -5.11 2.85 0.55 3.15 -7.23 -1.26 -4.50 120.40 108.85 2f76 s VAL 75 Ca -0.07 -3.56 -0.22 0.00 -1.81 0.00 0.00 61.98 56.33 2f76 s VAL 75 Cb 0.25 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 2f76 s VAL 75 CO 0.57 -0.87 1.36 -2.84 -0.31 0.00 0.00 175.10 173.01 2f76 s PRO 76 N -0.62 3.11 0.41 4.82 0.02 -0.88 -4.70 135.00 137.17 2f76 s PRO 76 Ca 0.19 2.25 0.20 0.00 0.02 0.00 0.00 61.00 63.67 2f76 s PRO 76 Cb -0.19 -2.25 0.89 0.00 0.02 0.00 0.00 34.50 32.97 2f76 s PRO 76 CO -0.05 -1.22 1.84 -0.24 -0.33 0.00 0.00 177.00 177.00 2f76 h VAL 77 N 1.42 0.84 0.00 3.83 3.04 -1.91 -3.05 116.25 120.42 2f76 h VAL 77 Ca -0.51 -1.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.97 2f76 h VAL 77 Cb 1.30 1.74 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 2f76 h VAL 77 CO 0.57 0.30 0.42 0.35 -1.01 0.00 0.00 177.57 178.20 2f76 n THR 78 N -3.64 0.49 -0.14 3.17 -2.24 -1.26 -0.17 114.28 110.48 2f76 n THR 78 Ca -0.01 0.67 0.00 0.00 -2.27 0.00 0.00 64.05 62.44 2f76 n THR 78 Cb 0.42 -1.67 0.27 0.00 -2.10 0.00 0.00 70.33 67.26 2f76 n THR 78 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f76 h ALA 79 N 0.74 1.46 -0.59 6.98 0.00 -1.92 -2.48 119.26 123.44 2f76 h ALA 79 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2f76 h ALA 79 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2f76 h ALA 79 CO 0.00 0.46 0.36 0.35 0.00 0.00 0.00 179.25 180.42 2f76 h PHE 80 N 0.85 0.77 0.27 0.00 3.04 -0.85 -0.69 116.94 120.33 2f76 h PHE 80 Ca 0.22 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 2f76 h PHE 80 Cb 0.00 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.26 2f76 h PHE 80 CO 0.00 0.52 -0.13 0.66 -2.02 0.00 0.00 178.31 177.34 2f76 h SER 81 N 0.79 -0.31 -0.35 0.41 4.64 -1.62 -2.32 113.55 114.78 2f76 h SER 81 Ca 0.21 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 2f76 h SER 81 Cb -0.04 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2f76 h SER 81 CO -0.04 -0.14 0.24 1.88 -0.87 0.00 0.00 176.83 177.91 2f76 h TYR 82 N -0.46 0.20 -0.65 4.77 0.05 -1.40 0.93 116.97 120.40 2f76 h TYR 82 Ca -0.04 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.73 2f76 h TYR 82 Cb 0.35 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 2f76 h TYR 82 CO -0.03 0.11 0.34 2.35 -1.05 0.00 0.00 178.16 179.87 2f76 h TRP 83 N 0.20 0.90 -0.83 4.88 7.01 -0.59 -1.51 115.95 126.00 2f76 h TRP 83 Ca 0.16 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.27 2f76 h TRP 83 Cb 0.38 -0.29 -0.09 0.00 -2.10 0.00 0.00 29.16 27.07 2f76 h TRP 83 CO -0.00 0.64 0.43 -0.97 -2.79 0.00 0.00 178.44 175.75 2f76 h ASN 84 N 0.92 0.53 -0.71 2.65 -1.24 -0.41 0.21 115.58 117.53 2f76 h ASN 84 Ca 0.23 0.08 -0.06 0.00 0.71 0.00 0.00 56.30 57.26 2f76 h ASN 84 Cb 0.05 -0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 2f76 h ASN 84 CO -0.03 0.24 0.19 -0.07 -1.29 0.00 0.00 177.43 176.47 2f76 h LEU 85 N 0.64 1.06 -0.60 0.34 3.38 -1.29 -2.30 115.31 116.54 2f76 h LEU 85 Ca 0.44 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2f76 h LEU 85 Cb 0.59 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2f76 h LEU 85 CO -0.34 1.01 0.28 0.40 0.09 0.00 0.00 178.44 179.87 2f76 h ILE 86 N 1.08 1.22 -0.83 1.22 2.04 -0.41 -1.99 117.51 119.82 2f76 h ILE 86 Ca 0.23 -0.62 0.05 0.00 1.00 0.00 0.00 64.86 65.52 2f76 h ILE 86 Cb 0.34 0.52 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 2f76 h ILE 86 CO -0.00 0.25 0.52 0.11 0.00 0.00 0.00 178.15 179.03 2f76 h LYS 87 N 0.82 0.95 -0.62 2.37 1.57 -0.51 0.26 116.57 121.40 2f76 h LYS 87 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2f76 h LYS 87 Cb 0.14 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2f76 h LYS 87 CO -0.02 0.63 0.33 0.93 -0.57 0.00 0.00 179.45 180.75 2f76 h GLU 88 N 0.98 0.86 0.01 3.15 5.08 -0.93 0.12 114.58 123.86 2f76 h GLU 88 Ca 0.35 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 2f76 h GLU 88 Cb 0.11 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.19 2f76 h GLU 88 CO -0.15 0.64 -0.26 1.25 -1.00 0.00 0.00 179.01 179.49 2f76 h LEU 89 N 0.87 0.21 -0.56 1.33 5.85 -0.40 -2.86 115.31 119.75 2f76 h LEU 89 Ca 0.22 -0.83 -0.04 0.00 0.84 0.00 0.00 57.88 58.08 2f76 h LEU 89 Cb 0.04 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2f76 h LEU 89 CO -0.03 1.01 0.21 0.40 -0.34 0.00 0.00 178.44 179.68 2f76 h ILE 90 N -0.57 1.23 -0.23 4.05 2.04 -0.45 -0.69 117.51 122.88 2f76 h ILE 90 Ca -0.04 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 2f76 h ILE 90 Cb 1.06 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2f76 h ILE 90 CO 0.05 0.28 0.14 0.44 0.00 0.00 0.00 178.15 179.05 2f76 h ASP 91 N 0.77 0.28 -0.35 1.72 3.32 -0.88 -3.04 116.42 118.24 2f76 h ASP 91 Ca 0.18 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 2f76 h ASP 91 Cb 0.22 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2f76 h ASP 91 CO -0.01 0.26 0.08 0.11 -1.72 0.00 0.00 179.24 177.95 2f76 h LYS 92 N 0.29 0.57 -4.23 3.56 1.57 -1.37 -3.45 116.57 113.50 2f76 h LYS 92 Ca 0.08 -0.14 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 2f76 h LYS 92 Cb 0.03 -0.07 -0.14 0.00 0.08 0.00 0.00 32.23 32.12 2f76 h LYS 92 CO -0.02 0.63 -0.57 0.15 -0.57 0.00 0.00 179.45 179.07 2f76 s LYS 93 N -5.26 0.91 0.00 3.15 1.02 -0.28 -4.87 119.74 114.41 2f76 s LYS 93 Ca -0.13 -1.31 0.00 0.00 0.02 0.00 0.00 55.97 54.55 2f76 s LYS 93 Cb 0.09 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 2f76 s LYS 93 CO 0.76 -0.27 0.00 -1.91 -0.92 0.00 0.00 175.35 173.01 2f76 n GLU 94 N -0.08 0.00 -4.97 1.68 2.13 -1.26 -3.76 120.64 114.39 2f76 n GLU 94 Ca -0.08 0.32 -0.28 0.00 0.66 0.00 0.00 57.16 57.77 2f76 n GLU 94 Cb 0.63 -3.15 -0.16 0.00 0.27 0.00 0.00 31.44 29.03 2f76 n GLU 94 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f76 s VAL 95 N -2.00 1.65 -0.61 6.31 1.01 -1.26 -4.78 120.40 120.73 2f76 s VAL 95 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 2f76 s VAL 95 Cb 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2f76 s VAL 95 CO 0.00 0.47 0.64 -3.20 0.00 0.00 0.00 175.10 173.01 2f76 n ASN 96 N 3.33 -6.34 -4.73 3.32 2.85 -1.26 -4.88 115.26 107.56 2f76 n ASN 96 Ca -0.19 -0.21 -0.38 0.00 -0.11 0.00 0.00 54.58 53.69 2f76 n ASN 96 Cb 0.53 -3.24 0.05 0.00 1.24 0.00 0.00 39.78 38.36 2f76 n ASN 96 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2f76 n PRO 97 N -1.20 1.45 -0.26 1.20 -0.02 -1.26 -4.93 135.00 129.99 2f76 n PRO 97 Ca -0.09 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 61.86 2f76 n PRO 97 Cb 0.60 -2.53 0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2f76 n PRO 97 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2f76 h GLN 98 N 1.08 1.14 -4.96 -0.52 4.15 -2.04 -3.42 115.11 110.55 2f76 h GLN 98 Ca -0.51 -0.28 -0.55 0.00 0.77 0.00 0.00 58.65 58.09 2f76 h GLN 98 Cb 1.32 -0.15 -0.32 0.00 0.21 0.00 0.00 27.48 28.54 2f76 h GLN 98 CO 0.55 1.01 -0.83 0.08 -1.93 0.00 0.00 178.83 177.71 2f76 s VAL 99 N -5.30 1.34 -2.85 2.39 1.01 -1.26 -5.31 120.40 110.41 2f76 s VAL 99 Ca -0.12 -0.63 0.25 0.00 0.00 0.00 0.00 61.98 61.48 2f76 s VAL 99 Cb 0.15 -1.18 0.30 0.00 0.00 0.00 0.00 36.38 35.64 2f76 s VAL 99 CO 0.85 0.39 1.40 0.23 0.00 0.00 0.00 175.10 177.98