#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f77 n GLY 2 N 0.00 0.74 3.91 -5.12 0.00 -1.26 -5.05 105.19 98.41 2f77 n GLY 2 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2f77 n GLY 2 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f77 s GLN 3 N -0.52 3.61 0.23 1.61 -1.52 -1.26 -5.02 119.66 116.78 2f77 s GLN 3 Ca 0.00 0.03 -0.30 0.00 -1.95 0.00 0.00 55.36 53.13 2f77 s GLN 3 Cb 0.00 -2.57 -0.10 0.00 -0.22 0.00 0.00 33.01 30.12 2f77 s GLN 3 CO 0.00 0.10 1.51 -1.21 -0.25 0.00 0.00 175.29 175.43 2f77 s GLU 4 N -3.94 4.23 -0.56 2.91 2.02 -1.26 -4.93 118.70 117.16 2f77 s GLU 4 Ca 0.45 2.37 -0.24 0.00 0.02 0.00 0.00 54.97 57.56 2f77 s GLU 4 Cb -0.10 -3.11 0.04 0.00 0.10 0.00 0.00 34.13 31.06 2f77 s GLU 4 CO 0.34 -0.51 0.93 -0.51 0.02 0.00 0.00 175.26 175.53 2f77 s LEU 5 N 0.08 4.15 0.76 1.80 1.43 -1.26 -4.97 118.68 120.67 2f77 s LEU 5 Ca 0.63 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.24 2f77 s LEU 5 Cb -0.43 -2.78 0.12 0.00 0.03 0.00 0.00 46.19 43.13 2f77 s LEU 5 CO 0.40 -1.24 1.06 -0.94 0.23 0.00 0.00 176.35 175.87 2f77 s SER 6 N 2.92 4.24 0.24 2.29 1.04 -1.26 -4.73 113.70 118.45 2f77 s SER 6 Ca 0.29 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 2f77 s SER 6 Cb -0.13 -0.44 0.44 0.00 0.10 0.00 0.00 66.02 65.99 2f77 s SER 6 CO 0.18 -1.95 1.76 -0.61 0.98 0.00 0.00 173.24 173.60 2f77 h GLN 7 N -0.77 0.54 -0.26 4.02 4.15 -1.99 0.25 115.11 121.04 2f77 h GLN 7 Ca -0.41 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 58.91 2f77 h GLN 7 Cb 1.27 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2f77 h GLN 7 CO 0.46 0.36 -0.09 0.45 -1.93 0.00 0.00 178.83 178.07 2f77 h HIS 8 N 0.55 0.59 -0.92 3.99 -0.00 -2.00 -2.48 115.15 114.88 2f77 h HIS 8 Ca 0.41 -0.14 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 2f77 h HIS 8 Cb 0.55 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.78 2f77 h HIS 8 CO -0.12 0.75 0.57 0.93 -0.00 0.00 0.00 177.93 180.07 2f77 h GLU 9 N 0.26 1.24 -0.73 2.45 4.39 -1.59 -1.78 114.58 118.81 2f77 h GLU 9 Ca 0.06 -0.10 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2f77 h GLU 9 Cb 0.58 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2f77 h GLU 9 CO 0.03 0.85 0.36 0.00 -1.16 0.00 0.00 179.01 179.09 2f77 h ARG 10 N 1.26 1.04 -0.86 2.33 3.08 -0.41 -2.20 114.38 118.62 2f77 h ARG 10 Ca 0.33 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.27 2f77 h ARG 10 Cb -0.09 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.72 2f77 h ARG 10 CO -0.07 0.80 0.56 -0.92 -1.07 0.00 0.00 179.97 179.27 2f77 h TYR 11 N 1.04 1.05 -0.51 3.04 3.20 -0.86 -2.12 116.97 121.81 2f77 h TYR 11 Ca 0.25 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 2f77 h TYR 11 Cb 0.10 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 2f77 h TYR 11 CO 0.01 0.62 0.27 0.28 -1.64 0.00 0.00 178.16 177.71 2f77 h VAL 12 N 1.10 1.18 -0.67 1.81 2.07 -1.16 -1.63 116.25 118.94 2f77 h VAL 12 Ca 0.33 -0.45 0.13 0.00 0.82 0.00 0.00 66.70 67.53 2f77 h VAL 12 Cb -0.04 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 30.19 2f77 h VAL 12 CO -0.10 0.19 0.18 -0.08 0.02 0.00 0.00 177.57 177.77 2f77 h GLU 13 N 0.67 0.29 -0.46 1.57 4.81 -1.03 0.28 114.58 120.71 2f77 h GLU 13 Ca 0.18 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 2f77 h GLU 13 Cb 0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2f77 h GLU 13 CO -0.03 0.19 -0.08 0.37 -0.73 0.00 0.00 179.01 178.74 2f77 h GLN 14 N 0.30 0.82 -0.76 1.92 4.15 -1.17 -2.30 115.11 118.08 2f77 h GLN 14 Ca 0.36 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.47 2f77 h GLN 14 Cb 0.57 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2f77 h GLN 14 CO -0.43 0.87 0.26 1.25 -1.93 0.00 0.00 178.83 178.85 2f77 h LEU 15 N 0.74 1.08 -0.63 -2.39 5.85 0.26 -2.61 115.31 117.62 2f77 h LEU 15 Ca 0.13 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2f77 h LEU 15 Cb 0.56 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2f77 h LEU 15 CO 0.03 0.99 0.28 0.50 -0.34 0.00 0.00 178.44 179.90 2f77 h LYS 16 N 1.11 0.93 -0.65 1.25 3.64 -0.25 -2.13 116.57 120.46 2f77 h LYS 16 Ca 0.25 -0.15 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 2f77 h LYS 16 Cb 0.27 -0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 2f77 h LYS 16 CO -0.01 0.76 0.26 1.96 -2.27 0.00 0.00 179.45 180.15 2f77 h GLN 17 N 0.88 0.43 -0.71 1.90 4.20 -1.05 0.88 115.11 121.63 2f77 h GLN 17 Ca 0.21 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2f77 h GLN 17 Cb 0.16 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2f77 h GLN 17 CO -0.02 0.29 0.33 0.00 -0.67 0.00 0.00 178.83 178.76 2f77 h ALA 18 N 1.44 1.24 -0.73 3.87 0.00 -1.20 -2.00 119.26 121.88 2f77 h ALA 18 Ca 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2f77 h ALA 18 Cb 0.41 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2f77 h ALA 18 CO -0.32 0.58 0.33 -0.07 0.00 0.00 0.00 179.25 179.77 2f77 h LEU 19 N 1.01 0.95 -0.72 0.00 3.38 -0.26 -2.29 115.31 117.38 2f77 h LEU 19 Ca 0.25 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2f77 h LEU 19 Cb 0.12 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2f77 h LEU 19 CO -0.03 0.82 0.43 0.11 0.09 0.00 0.00 178.44 179.86 2f77 h LYS 20 N 1.04 0.78 0.00 1.13 1.57 -0.35 0.11 116.57 120.84 2f77 h LYS 20 Ca 0.25 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 2f77 h LYS 20 Cb 0.13 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 2f77 h LYS 20 CO -0.03 0.51 -0.11 1.79 -0.57 0.00 0.00 179.45 181.04 2f77 h THR 21 N 0.80 0.53 -0.00 -0.16 1.35 -1.23 -0.20 112.91 114.00 2f77 h THR 21 Ca 0.31 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2f77 h THR 21 Cb 0.14 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2f77 h THR 21 CO -0.16 0.11 -0.06 0.54 -0.25 0.00 0.00 175.52 175.70 2f77 n ARG 22 N -3.59 0.45 -0.14 4.72 1.74 0.31 -4.88 116.66 115.27 2f77 n ARG 22 Ca -0.02 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2f77 n ARG 22 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2f77 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f77 n GLY 23 N 1.32 0.60 3.18 -0.13 0.00 -0.09 -5.09 105.19 104.98 2f77 n GLY 23 Ca 0.13 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2f77 n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f77 s VAL 24 N -1.33 1.81 -0.43 1.61 1.01 -0.88 -4.98 120.40 117.20 2f77 s VAL 24 Ca 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2f77 s VAL 24 Cb 0.00 -1.56 0.14 0.00 0.00 0.00 0.00 36.38 34.96 2f77 s VAL 24 CO 0.00 0.50 0.26 -0.54 0.00 0.00 0.00 175.10 175.32 2f77 s LYS 25 N 0.25 1.16 0.21 2.72 1.02 -1.26 -4.14 119.74 119.69 2f77 s LYS 25 Ca -0.13 -1.94 0.06 0.00 0.02 0.00 0.00 55.97 53.98 2f77 s LYS 25 Cb -0.16 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2f77 s LYS 25 CO 0.06 -1.20 -0.09 0.14 -0.92 0.00 0.00 175.35 173.34 2f77 s VAL 26 N 0.38 1.42 0.42 3.17 -7.23 -1.26 -4.95 120.40 112.35 2f77 s VAL 26 Ca 0.20 -2.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.03 2f77 s VAL 26 Cb -0.20 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 2f77 s VAL 26 CO -0.02 -0.53 0.98 -0.54 -0.31 0.00 0.00 175.10 174.68 2f77 s LYS 27 N -3.73 4.20 0.36 4.82 1.02 -1.26 -4.94 119.74 120.20 2f77 s LYS 27 Ca 0.23 1.26 0.04 0.00 0.02 0.00 0.00 55.97 57.52 2f77 s LYS 27 Cb 0.02 -2.32 0.66 0.00 -0.52 0.00 0.00 37.83 35.67 2f77 s LYS 27 CO 0.06 -0.07 1.96 -0.92 -0.92 0.00 0.00 175.35 175.46 2f77 h TYR 28 N 2.15 0.63 -0.60 3.18 3.20 -2.01 -1.52 116.97 121.99 2f77 h TYR 28 Ca -0.49 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.47 2f77 h TYR 28 Cb 1.20 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 39.23 2f77 h TYR 28 CO 0.60 0.48 0.40 0.00 -1.64 0.00 0.00 178.16 178.01 2f77 h ALA 29 N 1.58 2.06 -0.83 1.82 0.00 -1.98 -0.12 119.26 121.79 2f77 h ALA 29 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2f77 h ALA 29 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2f77 h ALA 29 CO -0.02 -0.20 0.41 -0.44 0.00 0.00 0.00 179.25 179.00 2f77 h ASP 30 N 0.37 1.08 -0.48 0.00 3.32 -1.65 -0.99 116.42 118.07 2f77 h ASP 30 Ca 0.28 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2f77 h ASP 30 Cb 0.60 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2f77 h ASP 30 CO -0.07 0.91 0.25 -0.07 -1.72 0.00 0.00 179.24 178.53 2f77 h LEU 31 N 1.19 0.62 -0.70 1.55 -0.00 -1.07 0.49 115.31 117.38 2f77 h LEU 31 Ca 0.29 -0.11 -0.04 0.00 -0.00 0.00 0.00 57.88 58.02 2f77 h LEU 31 Cb 0.11 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.58 2f77 h LEU 31 CO -0.04 0.55 0.30 -0.07 -0.00 0.00 0.00 178.44 179.19 2f77 h LEU 32 N 0.64 0.95 -1.26 1.67 3.38 -1.21 -2.08 115.31 117.39 2f77 h LEU 32 Ca 0.17 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2f77 h LEU 32 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2f77 h LEU 32 CO -0.02 0.85 -0.27 0.11 0.09 0.00 0.00 178.44 179.19 2f77 h LYS 33 N 0.99 0.16 -0.35 1.13 1.57 -0.75 -2.76 116.57 116.56 2f77 h LYS 33 Ca 0.24 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2f77 h LYS 33 Cb 0.18 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2f77 h LYS 33 CO -0.02 0.42 0.21 0.35 -0.57 0.00 0.00 179.45 179.84 2f77 h PHE 34 N 0.14 0.39 -0.57 -1.35 3.57 -0.20 0.13 116.94 119.06 2f77 h PHE 34 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2f77 h PHE 34 Cb 0.56 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2f77 h PHE 34 CO 0.01 0.23 0.26 0.74 -2.23 0.00 0.00 178.31 177.32 2f77 h PHE 35 N 0.43 0.84 -0.50 0.41 0.04 -1.30 -0.19 116.94 116.67 2f77 h PHE 35 Ca 0.14 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 2f77 h PHE 35 Cb -0.01 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 2f77 h PHE 35 CO -0.07 0.66 0.25 -0.44 -0.60 0.00 0.00 178.31 178.11 2f77 h ASP 36 N 0.78 0.65 -0.23 2.17 3.32 -1.16 0.44 116.42 122.39 2f77 h ASP 36 Ca 0.19 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2f77 h ASP 36 Cb 0.15 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2f77 h ASP 36 CO -0.02 0.58 0.10 0.15 -1.72 0.00 0.00 179.24 178.33 2f77 h PHE 37 N 0.66 0.33 -0.29 4.55 3.57 -0.44 0.33 116.94 125.66 2f77 h PHE 37 Ca 0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 2f77 h PHE 37 Cb 0.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2f77 h PHE 37 CO -0.01 0.35 0.18 0.28 -2.23 0.00 0.00 178.31 176.87 2f77 h VAL 38 N 0.22 1.10 -0.14 1.41 2.07 -0.79 -1.88 116.25 118.24 2f77 h VAL 38 Ca 0.08 -0.22 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 2f77 h VAL 38 Cb 0.15 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2f77 h VAL 38 CO -0.01 0.10 -0.24 0.11 0.02 0.00 0.00 177.57 177.55 2f77 h LYS 39 N 0.37 0.24 0.00 1.57 1.57 -0.74 -1.78 116.57 117.80 2f77 h LYS 39 Ca 0.10 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2f77 h LYS 39 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2f77 h LYS 39 CO -0.02 0.48 0.00 -0.44 -0.57 0.00 0.00 179.45 178.90 2f77 h ASP 40 N 0.22 0.00 0.41 0.86 3.32 0.42 -2.65 116.42 119.00 2f77 h ASP 40 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2f77 h ASP 40 Cb 0.55 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 2f77 h ASP 40 CO 0.04 0.00 -0.45 0.74 -1.72 0.00 0.00 179.24 177.85 2f77 h THR 41 N 0.00 0.00 0.00 0.35 2.02 -0.64 -3.27 112.91 111.37 2f77 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2f77 h THR 41 Cb 0.35 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 2f77 h THR 41 CO 0.00 0.00 -0.58 0.00 0.37 0.00 0.00 175.52 175.31 2f77 h PRO 43 N -0.58 0.04 0.00 0.00 0.11 -1.70 -3.42 132.00 126.44 2f77 h PRO 43 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2f77 h PRO 43 Cb 0.58 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2f77 h PRO 43 CO 0.00 0.03 0.00 0.91 -0.21 0.00 0.00 178.00 178.73 2f77 n TRP 44 N -5.41 0.00 0.00 0.65 8.01 -1.14 -5.01 117.44 114.54 2f77 n TRP 44 Ca 0.25 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.44 2f77 n TRP 44 Cb 0.83 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.13 2f77 n TRP 44 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2f77 n PHE 45 N 0.00 0.00 -1.80 -5.99 7.35 -1.23 -4.21 117.46 111.57 2f77 n PHE 45 Ca 0.00 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.29 2f77 n PHE 45 Cb 0.00 0.23 0.02 0.00 0.35 0.00 0.00 39.48 40.08 2f77 n PHE 45 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 2f77 s PRO 46 N -1.71 3.71 0.13 -7.13 0.02 -1.26 -4.94 135.00 123.82 2f77 s PRO 46 Ca 0.00 2.42 0.10 0.00 0.02 0.00 0.00 61.00 63.54 2f77 s PRO 46 Cb 0.00 -2.67 -0.04 0.00 0.02 0.00 0.00 34.50 31.81 2f77 s PRO 46 CO 0.00 -0.80 -0.22 -0.65 -0.33 0.00 0.00 177.00 175.00 2f77 s GLN 47 N -2.43 1.62 0.06 5.54 -0.21 -1.26 -4.92 119.66 118.05 2f77 s GLN 47 Ca 0.60 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.71 2f77 s GLN 47 Cb -0.44 -2.01 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 2f77 s GLN 47 CO 0.56 0.46 -0.05 -1.21 -2.12 0.00 0.00 175.29 172.93 2f77 s GLU 48 N -2.20 0.59 0.00 2.91 2.02 -1.26 -5.10 118.70 115.65 2f77 s GLU 48 Ca 0.17 -1.00 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2f77 s GLU 48 Cb -0.10 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.07 2f77 s GLU 48 CO 0.09 -0.03 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2f77 n GLY 49 N 0.74 -0.55 3.28 -1.39 0.00 -1.26 -4.95 105.19 101.07 2f77 n GLY 49 Ca -0.18 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 2f77 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f77 s THR 50 N -1.33 2.16 0.12 2.61 2.01 -1.26 -5.11 115.64 114.83 2f77 s THR 50 Ca 0.00 -1.03 -0.20 0.00 0.31 0.00 0.00 61.69 60.77 2f77 s THR 50 Cb 0.00 -1.79 -0.07 0.00 0.01 0.00 0.00 72.50 70.65 2f77 s THR 50 CO 0.00 0.57 0.63 -0.63 -0.69 0.00 0.00 174.62 174.50 2f77 s ILE 51 N -0.17 4.66 0.07 1.82 -1.09 -1.26 -4.99 121.20 120.25 2f77 s ILE 51 Ca -0.03 1.27 -0.22 0.00 -2.23 0.00 0.00 60.65 59.45 2f77 s ILE 51 Cb -0.14 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 2f77 s ILE 51 CO 0.04 0.47 0.65 -1.81 -1.23 0.00 0.00 174.94 173.05 2f77 s ASP 52 N -1.26 7.14 0.20 3.58 1.01 -1.26 -4.97 116.67 121.12 2f77 s ASP 52 Ca 0.33 1.35 -0.09 0.00 0.71 0.00 0.00 52.55 54.85 2f77 s ASP 52 Cb -0.19 -2.41 0.14 0.00 1.01 0.00 0.00 42.92 41.47 2f77 s ASP 52 CO 0.21 0.19 1.78 0.40 0.21 0.00 0.00 175.17 177.95 2f77 h ILE 53 N 3.69 1.25 -0.95 0.77 2.04 -1.99 0.11 117.51 122.44 2f77 h ILE 53 Ca -0.47 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 64.66 2f77 h ILE 53 Cb 1.21 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2f77 h ILE 53 CO 0.66 0.31 0.62 0.11 0.00 0.00 0.00 178.15 179.86 2f77 h LYS 54 N 1.08 1.18 0.00 2.37 1.57 -1.97 -0.84 116.57 119.96 2f77 h LYS 54 Ca 0.25 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2f77 h LYS 54 Cb 0.18 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2f77 h LYS 54 CO -0.02 0.78 -0.16 0.35 -0.57 0.00 0.00 179.45 179.83 2f77 h PHE 55 N 1.21 0.00 -0.56 -1.35 3.57 -1.78 -3.27 116.94 114.76 2f77 h PHE 55 Ca 0.37 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.82 2f77 h PHE 55 Cb -0.02 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2f77 h PHE 55 CO -0.00 0.00 0.14 2.35 -2.23 0.00 0.00 178.31 178.57 2f77 h TRP 56 N 0.00 0.89 -0.75 0.41 7.01 0.71 -2.54 115.95 121.68 2f77 h TRP 56 Ca 0.00 -0.08 0.06 0.00 2.11 0.00 0.00 58.89 60.98 2f77 h TRP 56 Cb 0.90 -0.26 -0.06 0.00 -2.10 0.00 0.00 29.16 27.64 2f77 h TRP 56 CO 0.00 0.74 0.44 0.00 -2.79 0.00 0.00 178.44 176.82 2f77 h ARG 57 N 0.83 0.77 -0.33 2.65 3.08 -1.58 0.22 114.38 120.03 2f77 h ARG 57 Ca 0.18 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.08 2f77 h ARG 57 Cb 0.29 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2f77 h ARG 57 CO -0.00 0.51 -0.25 0.00 -1.07 0.00 0.00 179.97 179.16 2f77 h ARG 58 N 0.80 0.66 -0.39 0.04 3.08 -1.66 -2.61 114.38 114.30 2f77 h ARG 58 Ca 0.33 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 2f77 h ARG 58 Cb 0.19 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 2f77 h ARG 58 CO -0.18 0.85 0.03 0.28 -1.07 0.00 0.00 179.97 179.88 2f77 h VAL 59 N 0.57 1.25 -0.48 2.04 2.07 -0.82 0.23 116.25 121.11 2f77 h VAL 59 Ca 0.08 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2f77 h VAL 59 Cb 0.73 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2f77 h VAL 59 CO 0.06 0.31 0.30 1.23 0.02 0.00 0.00 177.57 179.49 2f77 h GLY 60 N 0.50 0.67 1.33 2.17 0.00 -0.86 0.10 103.07 106.98 2f77 h GLY 60 Ca 0.11 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2f77 h GLY 60 CO 0.01 0.21 -0.22 -0.55 0.00 0.00 0.00 176.54 175.99 2f77 h ASP 61 N 0.60 0.79 0.20 0.19 3.32 -1.31 -0.18 116.42 120.02 2f77 h ASP 61 Ca 0.18 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2f77 h ASP 61 Cb -0.02 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2f77 h ASP 61 CO -0.07 0.99 -0.10 0.00 -1.72 0.00 0.00 179.24 178.34 2f77 h PHE 63 N -0.50 0.92 -0.92 0.00 -1.00 -0.79 -2.27 116.94 112.38 2f77 h PHE 63 Ca -0.03 -0.06 0.04 0.00 2.81 0.00 0.00 57.97 60.74 2f77 h PHE 63 Cb 0.38 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.60 2f77 h PHE 63 CO 0.00 0.71 0.60 0.37 -1.61 0.00 0.00 178.31 178.39 2f77 h GLN 64 N 0.87 1.10 -0.48 1.51 4.15 -0.93 0.98 115.11 122.31 2f77 h GLN 64 Ca 0.21 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 2f77 h GLN 64 Cb 0.16 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 2f77 h GLN 64 CO -0.02 0.73 0.23 -0.44 -1.93 0.00 0.00 178.83 177.40 2f77 h ASP 65 N 1.14 0.62 0.20 -0.69 3.32 -0.60 -1.57 116.42 118.84 2f77 h ASP 65 Ca 0.37 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.18 2f77 h ASP 65 Cb 0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2f77 h ASP 65 CO -0.12 0.57 -0.43 1.88 -1.72 0.00 0.00 179.24 179.43 2f77 h TYR 66 N 0.63 0.34 0.42 4.55 0.05 -0.94 0.82 116.97 122.84 2f77 h TYR 66 Ca 0.16 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f77 h TYR 66 Cb 0.11 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2f77 h TYR 66 CO -0.01 0.67 -0.20 -0.92 -1.05 0.00 0.00 178.16 176.65 2f77 h TYR 67 N 0.24 -0.53 -0.20 4.88 3.20 -0.32 0.67 116.97 124.91 2f77 h TYR 67 Ca 0.02 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.73 2f77 h TYR 67 Cb 0.85 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2f77 h TYR 67 CO 0.02 -0.23 -0.49 -0.91 -1.64 0.00 0.00 178.16 174.91 2f77 h ASN 68 N -0.77 0.59 -0.20 -2.11 2.35 -1.30 1.41 115.58 115.55 2f77 h ASN 68 Ca -0.06 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2f77 h ASN 68 Cb 0.53 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2f77 h ASN 68 CO 0.10 0.98 0.05 0.74 -1.65 0.00 0.00 177.43 177.65 2f77 h THR 69 N 0.43 1.21 0.00 2.81 2.02 -0.77 -3.39 112.91 115.21 2f77 h THR 69 Ca 0.02 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 2f77 h THR 69 Cb 1.01 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2f77 h THR 69 CO 0.09 0.21 -1.28 0.49 0.37 0.00 0.00 175.52 175.40 2f77 n PHE 70 N -4.77 0.00 -0.20 3.16 3.72 0.20 -5.06 117.46 114.51 2f77 n PHE 70 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2f77 n PHE 70 Cb 0.17 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 2f77 n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f77 n GLY 71 N 2.44 0.89 0.24 1.37 0.00 0.48 -4.86 105.19 105.75 2f77 n GLY 71 Ca -0.17 -1.87 0.16 0.00 0.00 0.00 0.00 46.02 44.14 2f77 n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f77 h PRO 72 N 6.51 0.00 0.04 1.61 0.13 -1.80 -3.21 132.00 135.29 2f77 h PRO 72 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2f77 h PRO 72 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2f77 h PRO 72 CO 0.00 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 178.60 2f77 h GLU 73 N 0.00 -0.18 -0.60 0.86 5.08 -1.93 1.49 114.58 119.29 2f77 h GLU 73 Ca 0.00 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2f77 h GLU 73 Cb 0.47 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2f77 h GLU 73 CO 0.00 -0.12 0.05 0.87 -1.00 0.00 0.00 179.01 178.81 2f77 h LYS 74 N -0.19 1.00 -1.95 2.33 1.79 -1.88 -3.38 116.57 114.29 2f77 h LYS 74 Ca 0.03 -0.28 -0.44 0.00 -2.18 0.00 0.00 60.65 57.78 2f77 h LYS 74 Cb 0.22 -0.11 -0.31 0.00 -1.58 0.00 0.00 32.23 30.44 2f77 h LYS 74 CO -0.07 0.95 -0.79 0.14 -1.08 0.00 0.00 179.45 178.59 2f77 s VAL 75 N -5.10 -0.14 0.96 0.50 -7.23 -0.88 -5.02 120.40 103.49 2f77 s VAL 75 Ca -0.11 -1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 2f77 s VAL 75 Cb 0.14 -0.81 0.11 0.00 0.56 0.00 0.00 36.38 36.38 2f77 s VAL 75 CO 0.84 -0.79 0.76 -2.65 -0.31 0.00 0.00 175.10 172.95 2f77 n PRO 76 N 3.20 -0.59 0.00 4.82 -0.02 0.50 -4.53 135.00 138.38 2f77 n PRO 76 Ca 0.22 -0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2f77 n PRO 76 Cb 0.49 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2f77 n PRO 76 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2f77 n VAL 77 N -4.04 0.83 0.05 -1.45 0.24 -1.26 -1.46 118.33 111.24 2f77 n VAL 77 Ca 0.09 0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.65 2f77 n VAL 77 Cb 0.53 -1.25 0.34 0.00 -1.47 0.00 0.00 33.84 31.99 2f77 n VAL 77 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 2f77 h THR 78 N 0.00 1.18 -0.83 3.34 1.35 -1.95 -2.42 112.91 113.59 2f77 h THR 78 Ca 0.00 -0.75 0.01 0.00 -0.55 0.00 0.00 66.41 65.12 2f77 h THR 78 Cb 0.09 1.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2f77 h THR 78 CO 0.00 0.25 0.55 0.00 -0.25 0.00 0.00 175.52 176.07 2f77 h ALA 79 N 1.57 1.05 -0.22 6.62 0.00 -1.57 -0.02 119.26 126.69 2f77 h ALA 79 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2f77 h ALA 79 Cb 0.33 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2f77 h ALA 79 CO 0.01 0.46 0.04 0.74 0.00 0.00 0.00 179.25 180.51 2f77 h PHE 80 N 1.13 0.39 -0.23 0.00 -1.00 -1.65 0.79 116.94 116.37 2f77 h PHE 80 Ca 0.30 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 61.04 2f77 h PHE 80 Cb -0.13 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.31 2f77 h PHE 80 CO -0.01 0.49 0.13 0.77 -1.61 0.00 0.00 178.31 178.07 2f77 h SER 81 N 0.17 0.21 -0.83 2.17 0.02 -1.20 0.18 113.55 114.27 2f77 h SER 81 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2f77 h SER 81 Cb 0.30 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 2f77 h SER 81 CO 0.00 0.16 0.40 1.88 -1.14 0.00 0.00 176.83 178.12 2f77 h TYR 82 N 0.27 1.21 -0.36 3.45 0.05 -0.88 -2.30 116.97 118.41 2f77 h TYR 82 Ca 0.09 -0.06 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2f77 h TYR 82 Cb -0.00 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 2f77 h TYR 82 CO -0.08 0.88 -0.15 2.35 -1.05 0.00 0.00 178.16 180.11 2f77 h TRP 83 N 1.19 0.71 -0.62 4.88 2.91 -0.26 -2.69 115.95 122.07 2f77 h TRP 83 Ca 0.29 -0.13 0.06 0.00 1.13 0.00 0.00 58.89 60.24 2f77 h TRP 83 Cb 0.13 -0.18 -0.06 0.00 -0.51 0.00 0.00 29.16 28.54 2f77 h TRP 83 CO 0.01 0.76 0.32 -0.91 -1.03 0.00 0.00 178.44 177.59 2f77 h ASN 84 N 0.59 0.44 -0.81 2.65 2.35 -0.09 0.23 115.58 120.94 2f77 h ASN 84 Ca 0.10 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 2f77 h ASN 84 Cb 0.59 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.89 2f77 h ASN 84 CO 0.04 0.28 0.34 -0.07 -1.65 0.00 0.00 177.43 176.38 2f77 h LEU 85 N 0.58 1.10 -0.42 1.61 3.38 -1.28 -2.23 115.31 118.04 2f77 h LEU 85 Ca 0.28 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2f77 h LEU 85 Cb 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2f77 h LEU 85 CO -0.20 0.95 0.01 0.40 0.09 0.00 0.00 178.44 179.70 2f77 h ILE 86 N 1.17 1.26 -0.72 1.22 1.08 -0.88 -1.14 117.51 119.49 2f77 h ILE 86 Ca 0.27 -1.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 2f77 h ILE 86 Cb 0.18 1.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 2f77 h ILE 86 CO -0.03 0.34 0.43 0.50 -0.69 0.00 0.00 178.15 178.70 2f77 h LYS 87 N 0.57 0.77 -0.22 2.37 3.64 -0.29 -0.05 116.57 123.36 2f77 h LYS 87 Ca 0.12 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.33 2f77 h LYS 87 Cb 0.46 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2f77 h LYS 87 CO 0.02 0.51 -0.41 0.93 -2.27 0.00 0.00 179.45 178.23 2f77 h GLU 88 N 0.80 0.52 -0.15 1.90 5.08 -1.21 0.14 114.58 121.65 2f77 h GLU 88 Ca 0.31 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2f77 h GLU 88 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2f77 h GLU 88 CO -0.16 0.84 0.02 1.25 -1.00 0.00 0.00 179.01 179.95 2f77 h LEU 89 N 0.43 0.24 -0.13 1.33 5.85 -0.10 -1.04 115.31 121.88 2f77 h LEU 89 Ca 0.04 -0.27 -0.23 0.00 0.84 0.00 0.00 57.88 58.25 2f77 h LEU 89 Cb 0.89 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.87 2f77 h LEU 89 CO 0.08 0.45 -0.86 0.16 -0.34 0.00 0.00 178.44 177.93 2f77 h ILE 90 N 0.02 1.29 -0.38 4.05 3.07 -1.01 -2.40 117.51 122.15 2f77 h ILE 90 Ca 0.04 -2.08 0.01 0.00 1.55 0.00 0.00 64.86 64.39 2f77 h ILE 90 Cb 0.32 2.12 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2f77 h ILE 90 CO 0.00 0.65 0.23 0.44 -1.05 0.00 0.00 178.15 178.43 2f77 h ASP 91 N 0.47 0.39 -0.58 2.16 3.32 -0.67 -2.44 116.42 119.06 2f77 h ASP 91 Ca -0.07 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 2f77 h ASP 91 Cb 1.49 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 2f77 h ASP 91 CO 0.17 0.28 0.12 0.11 -1.72 0.00 0.00 179.24 178.20 2f77 h LYS 92 N 0.47 0.95 -6.30 3.56 1.57 -1.21 -3.41 116.57 112.20 2f77 h LYS 92 Ca 0.15 -0.24 -0.55 0.00 -1.87 0.00 0.00 60.65 58.14 2f77 h LYS 92 Cb -0.02 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2f77 h LYS 92 CO -0.06 0.89 0.94 0.21 -0.57 0.00 0.00 179.45 180.86 2f77 s LYS 93 N -5.25 4.23 -0.64 3.15 2.20 -0.91 -4.94 119.74 117.58 2f77 s LYS 93 Ca -0.12 2.02 -0.25 0.00 -0.36 0.00 0.00 55.97 57.25 2f77 s LYS 93 Cb 0.13 -3.74 0.05 0.00 -1.51 0.00 0.00 37.83 32.75 2f77 s LYS 93 CO 0.82 -0.70 1.08 -1.21 -0.36 0.00 0.00 175.35 174.99 2f77 s GLU 94 N 3.14 3.25 0.07 4.03 2.02 -1.26 -4.87 118.70 125.08 2f77 s GLU 94 Ca 0.66 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 55.31 2f77 s GLU 94 Cb -0.31 -4.14 -0.04 0.00 0.10 0.00 0.00 34.13 29.75 2f77 s GLU 94 CO 0.26 -1.81 -0.06 0.54 0.02 0.00 0.00 175.26 174.20 2f77 s VAL 95 N 4.66 0.57 -0.58 2.63 0.11 -1.26 -5.10 120.40 121.42 2f77 s VAL 95 Ca 0.31 -1.60 0.05 0.00 -2.93 0.00 0.00 61.98 57.80 2f77 s VAL 95 Cb -0.12 -1.26 0.17 0.00 -1.53 0.00 0.00 36.38 33.64 2f77 s VAL 95 CO 0.16 -0.71 0.43 0.21 -3.33 0.00 0.00 175.10 171.86 2f77 s ASN 96 N -2.49 3.45 0.24 3.54 3.84 -1.26 -4.91 114.94 117.35 2f77 s ASN 96 Ca 0.03 -3.52 -0.05 0.00 0.21 0.00 0.00 52.86 49.53 2f77 s ASN 96 Cb -0.00 -1.15 0.39 0.00 -0.55 0.00 0.00 41.25 39.94 2f77 s ASN 96 CO -0.03 -0.12 1.80 -0.65 -2.79 0.00 0.00 177.10 175.30 2f77 h PRO 97 N 5.51 0.71 0.00 0.43 0.11 -1.99 -3.44 132.00 133.34 2f77 h PRO 97 Ca 0.19 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2f77 h PRO 97 Cb 0.82 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.77 2f77 h PRO 97 CO 0.58 0.47 0.00 1.04 -0.21 0.00 0.00 178.00 179.88 2f77 n GLN 98 N -4.78 0.00 -3.83 1.05 6.02 -1.26 -5.07 117.38 109.52 2f77 n GLN 98 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 2f77 n GLN 98 Cb 0.28 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.39 2f77 n GLN 98 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2f77 s VAL 99 N -1.08 1.18 0.00 5.09 1.01 -1.26 -5.29 120.40 120.05 2f77 s VAL 99 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2f77 s VAL 99 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2f77 s VAL 99 CO 0.00 -0.45 0.00 0.23 0.00 0.00 0.00 175.10 174.88