#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n ARG 2 N 0.00 -0.47 -3.95 0.00 0.63 -1.26 -5.10 116.66 106.52 3df2 n ARG 2 Ca 0.00 -0.22 -0.10 0.00 -0.92 0.00 0.00 57.85 56.62 3df2 n ARG 2 Cb 0.00 -0.16 -0.11 0.00 0.45 0.00 0.00 32.46 32.64 3df2 n ARG 2 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3df2 s VAL 3 N -1.29 0.10 0.05 5.15 1.01 -1.26 -5.08 120.40 119.08 3df2 s VAL 3 Ca 0.08 -0.81 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 3df2 s VAL 3 Cb -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3df2 s VAL 3 CO 0.06 -0.45 1.24 0.11 0.00 0.00 0.00 175.10 176.06 3df2 h LYS 4 N 4.62 -0.20 -0.61 2.72 1.57 -2.07 -3.45 116.57 119.15 3df2 h LYS 4 Ca -0.31 0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.22 3df2 h LYS 4 Cb 1.21 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 33.46 3df2 h LYS 4 CO 0.41 -0.13 -0.24 0.54 -0.57 0.00 0.00 179.45 179.46 3df2 n ARG 5 N -3.83 -1.54 0.00 3.15 1.74 -1.26 -4.90 116.66 110.01 3df2 n ARG 5 Ca -0.02 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 3df2 n ARG 5 Cb 0.16 -5.30 0.00 0.00 -1.02 0.00 0.00 32.46 26.30 3df2 n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df2 n GLY 6 N -0.11 0.41 0.27 -0.13 0.00 -1.26 -4.70 105.19 99.67 3df2 n GLY 6 Ca -0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.10 3df2 n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df2 n VAL 7 N 0.00 -0.34 -0.25 1.61 0.24 -1.26 -0.84 118.33 117.50 3df2 n VAL 7 Ca 0.00 1.69 0.05 0.00 -2.04 0.00 0.00 64.34 64.04 3df2 n VAL 7 Cb 0.00 -2.63 0.11 0.00 -1.47 0.00 0.00 33.84 29.84 3df2 n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3df2 n ILE 8 N -4.95 -0.29 -0.08 1.34 -0.00 -1.26 0.11 119.36 114.23 3df2 n ILE 8 Ca 0.26 1.56 -0.16 0.00 -0.00 0.00 0.00 62.75 64.41 3df2 n ILE 8 Cb 0.88 -2.17 -0.12 0.00 -0.00 0.00 0.00 39.64 38.23 3df2 n ILE 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3df2 h ALA 9 N 1.37 0.09 0.00 -1.39 0.00 -1.27 -2.55 119.26 115.51 3df2 h ALA 9 Ca 0.34 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3df2 h ALA 9 Cb 0.54 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3df2 h ALA 9 CO -0.70 0.24 0.21 -2.13 0.00 0.00 0.00 179.25 176.87 3df2 n ARG 10 N -4.56 0.10 -0.08 0.00 3.00 0.02 0.15 116.66 115.29 3df2 n ARG 10 Ca -0.17 0.58 -0.09 0.00 -0.00 0.00 0.00 57.85 58.18 3df2 n ARG 10 Cb 0.51 -2.04 -0.16 0.00 0.00 0.00 0.00 32.46 30.77 3df2 n ARG 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3df2 n ALA 11 N -1.62 1.56 -0.02 5.13 0.00 0.30 -3.61 120.51 122.26 3df2 n ALA 11 Ca -0.01 -1.20 -0.17 0.00 0.00 0.00 0.00 53.44 52.05 3df2 n ALA 11 Cb 0.23 -0.32 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 3df2 n ALA 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df2 h ARG 12 N 0.00 0.70 0.86 0.00 2.43 0.19 -2.99 114.38 115.57 3df2 h ARG 12 Ca -0.48 -0.60 -0.04 0.00 -0.81 0.00 0.00 59.98 58.05 3df2 h ARG 12 Cb 2.15 0.13 0.01 0.00 -0.42 0.00 0.00 29.97 31.84 3df2 h ARG 12 CO 0.04 1.21 -0.41 0.45 -1.51 0.00 0.00 179.97 179.74 3df2 h HIS 13 N 0.39 -1.07 -0.96 2.20 3.86 0.35 -2.90 115.15 117.03 3df2 h HIS 13 Ca -0.06 -0.03 0.27 0.00 -1.16 0.00 0.00 60.37 59.40 3df2 h HIS 13 Cb 1.37 0.35 -0.17 0.00 1.06 0.00 0.00 27.41 30.02 3df2 h HIS 13 CO 0.10 -0.66 0.09 0.87 0.86 0.00 0.00 177.93 179.18 3df2 h LYS 14 N -1.20 0.04 -0.26 2.45 1.57 -1.66 1.05 116.57 118.57 3df2 h LYS 14 Ca -0.12 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3df2 h LYS 14 Cb 0.88 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 3df2 h LYS 14 CO 0.19 0.03 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.38 3df2 h LYS 15 N 0.04 -0.42 0.58 3.15 3.11 -1.35 -1.11 116.57 120.57 3df2 h LYS 15 Ca 0.60 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 58.44 3df2 h LYS 15 Cb 1.25 0.09 0.01 0.00 -1.00 0.00 0.00 32.23 32.58 3df2 h LYS 15 CO -0.86 -0.28 -0.28 0.82 -2.81 0.00 0.00 179.45 176.05 3df2 h ILE 16 N -0.43 0.36 0.00 2.00 5.03 -0.40 -3.04 117.51 121.03 3df2 h ILE 16 Ca 0.05 -0.25 -0.02 0.00 -0.12 0.00 0.00 64.86 64.52 3df2 h ILE 16 Cb 0.57 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 3df2 h ILE 16 CO -0.48 0.03 0.12 -0.11 -0.68 0.00 0.00 178.15 177.04 3df2 n LEU 17 N -5.36 1.44 0.14 1.44 7.94 0.33 -2.44 117.00 120.48 3df2 n LEU 17 Ca -0.12 -0.93 0.00 0.00 -1.11 0.00 0.00 56.01 53.85 3df2 n LEU 17 Cb 0.34 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.94 3df2 n LEU 17 CO 0.34 0.19 0.00 1.17 -1.11 0.00 0.00 177.39 177.98 3df2 n LYS 18 N 2.34 0.00 0.00 1.96 0.00 -0.48 -4.73 118.16 117.24 3df2 n LYS 18 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.41 3df2 n LYS 18 Cb 0.19 -0.04 0.24 0.00 0.00 0.00 0.00 35.03 35.42 3df2 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df2 n GLN 19 N -3.46 0.23 0.02 1.64 10.64 -1.02 -0.36 117.38 125.07 3df2 n GLN 19 Ca 0.00 0.04 -0.08 0.00 -1.83 0.00 0.00 57.00 55.13 3df2 n GLN 19 Cb 0.00 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 27.75 3df2 n GLN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3df2 h ALA 20 N 2.50 0.57 -1.55 2.61 0.00 -1.84 -3.47 119.26 118.08 3df2 h ALA 20 Ca 0.00 -1.20 -0.67 0.00 0.00 0.00 0.00 54.91 53.04 3df2 h ALA 20 Cb 0.01 0.18 0.08 0.00 0.00 0.00 0.00 17.79 18.06 3df2 h ALA 20 CO 0.00 1.43 0.15 1.63 0.00 0.00 0.00 179.25 182.45 3df2 n LYS 21 N -3.19 0.85 0.00 0.00 4.76 0.51 -2.31 118.16 118.78 3df2 n LYS 21 Ca -0.09 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 3df2 n LYS 21 Cb 1.00 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 3df2 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df2 n GLY 22 N 1.94 1.62 3.76 0.72 0.00 -1.26 -5.07 105.19 106.90 3df2 n GLY 22 Ca 0.16 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3df2 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3df2 s TYR 23 N -1.28 1.15 0.32 1.61 4.12 -0.98 -5.08 117.35 117.22 3df2 s TYR 23 Ca 0.00 0.44 0.08 0.00 0.02 0.00 0.00 57.07 57.61 3df2 s TYR 23 Cb 0.00 -3.75 -0.04 0.00 -1.52 0.00 0.00 41.96 36.65 3df2 s TYR 23 CO 0.00 -3.20 0.16 -0.47 0.02 0.00 0.00 175.55 172.06 3df2 s TYR 24 N -3.43 2.80 0.00 2.71 5.04 -1.26 -4.72 117.35 118.49 3df2 s TYR 24 Ca 0.72 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3df2 s TYR 24 Cb -0.07 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.66 3df2 s TYR 24 CO 0.54 0.37 0.00 0.41 -1.34 0.00 0.00 175.55 175.53 3df2 n GLY 25 N -1.17 -1.57 0.34 8.97 0.00 -1.26 -3.60 105.19 106.90 3df2 n GLY 25 Ca -0.04 -1.26 0.22 0.00 0.00 0.00 0.00 46.02 44.95 3df2 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df2 h ALA 26 N -0.37 1.02 0.00 4.61 0.00 -1.96 -2.27 119.26 120.29 3df2 h ALA 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df2 h ALA 26 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3df2 h ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3df2 n ARG 27 N -3.11 0.00 0.00 0.00 1.74 -1.24 0.84 116.66 114.90 3df2 n ARG 27 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3df2 n ARG 27 Cb 0.08 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 3df2 n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3df2 n SER 28 N -0.83 0.30 0.00 0.55 7.64 -0.85 -3.98 113.62 116.45 3df2 n SER 28 Ca 0.00 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.58 3df2 n SER 28 Cb 0.00 0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3df2 n SER 28 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3df2 n ARG 29 N -0.68 0.00 -2.77 1.43 1.85 0.11 -4.68 116.66 111.92 3df2 n ARG 29 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3df2 n ARG 29 Cb 0.00 -0.59 -0.06 0.00 -1.05 0.00 0.00 32.46 30.76 3df2 n ARG 29 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3df2 s VAL 30 N -1.94 4.24 -0.11 8.89 1.01 0.25 -5.01 120.40 127.72 3df2 s VAL 30 Ca 0.00 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.50 3df2 s VAL 30 Cb 0.00 -3.76 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3df2 s VAL 30 CO 0.00 -0.11 0.18 0.22 0.00 0.00 0.00 175.10 175.40 3df2 h TYR 31 N 2.44 0.00 -0.16 5.22 3.20 -1.97 -2.60 116.97 123.10 3df2 h TYR 31 Ca -0.48 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.44 3df2 h TYR 31 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3df2 h TYR 31 CO 0.61 0.24 0.87 0.00 -1.64 0.00 0.00 178.16 178.25 3df2 h ARG 32 N -1.00 0.00 0.00 1.82 3.08 -1.95 0.42 114.38 116.75 3df2 h ARG 32 Ca -0.00 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.80 3df2 h ARG 32 Cb 0.24 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 3df2 h ARG 32 CO -0.00 0.00 -1.77 1.33 -1.07 0.00 0.00 179.97 178.46 3df2 n VAL 33 N -2.73 1.39 -0.39 2.04 0.24 -1.25 -4.07 118.33 113.55 3df2 n VAL 33 Ca 0.03 -0.14 0.31 0.00 -2.04 0.00 0.00 64.34 62.51 3df2 n VAL 33 Cb 0.93 -2.00 0.59 0.00 -1.47 0.00 0.00 33.84 31.90 3df2 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df2 h ALA 34 N -0.87 2.51 0.53 2.33 0.00 -0.82 1.17 119.26 124.10 3df2 h ALA 34 Ca -0.37 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3df2 h ALA 34 Cb 1.28 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.22 3df2 h ALA 34 CO -0.23 -1.07 -0.25 0.35 0.00 0.00 0.00 179.25 178.05 3df2 h PHE 35 N 0.19 -0.66 -0.44 0.00 3.04 -1.18 0.63 116.94 118.53 3df2 h PHE 35 Ca 0.74 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.81 3df2 h PHE 35 Cb 2.17 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 40.88 3df2 h PHE 35 CO -0.01 -0.41 0.38 1.96 -2.02 0.00 0.00 178.31 178.22 3df2 h GLN 36 N -0.72 0.00 0.71 1.11 4.20 -0.67 -0.90 115.11 118.84 3df2 h GLN 36 Ca -0.07 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 3df2 h GLN 36 Cb 0.54 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.33 3df2 h GLN 36 CO 0.12 0.00 -0.34 0.00 -0.67 0.00 0.00 178.83 177.94 3df2 h ALA 37 N 1.66 -0.96 0.89 3.87 0.00 0.20 -2.53 119.26 122.38 3df2 h ALA 37 Ca 0.21 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3df2 h ALA 37 Cb 0.97 0.37 0.01 0.00 0.00 0.00 0.00 17.79 19.14 3df2 h ALA 37 CO -0.00 -1.01 -0.43 0.28 0.00 0.00 0.00 179.25 178.09 3df2 h VAL 38 N -1.02 0.04 -0.68 0.00 2.07 0.38 -2.79 116.25 114.25 3df2 h VAL 38 Ca -0.10 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.41 3df2 h VAL 38 Cb 0.75 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 3df2 h VAL 38 CO 0.16 0.00 -0.32 -0.38 0.02 0.00 0.00 177.57 177.06 3df2 n ILE 39 N -5.57 -0.40 -0.07 4.57 2.08 -0.50 0.18 119.36 119.65 3df2 n ILE 39 Ca -0.15 1.61 -0.07 0.00 0.56 0.00 0.00 62.75 64.70 3df2 n ILE 39 Cb 0.47 -2.08 -0.01 0.00 -0.75 0.00 0.00 39.64 37.28 3df2 n ILE 39 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3df2 h LYS 40 N 0.00 -0.07 -0.57 0.38 3.11 -1.41 -1.45 116.57 116.56 3df2 h LYS 40 Ca 0.19 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 58.09 3df2 h LYS 40 Cb 0.36 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.55 3df2 h LYS 40 CO -0.66 -0.05 0.29 0.00 -2.81 0.00 0.00 179.45 176.22 3df2 h ALA 41 N 1.16 0.74 -0.26 5.00 0.00 0.21 0.63 119.26 126.75 3df2 h ALA 41 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3df2 h ALA 41 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3df2 h ALA 41 CO -0.33 -0.06 0.21 0.78 0.00 0.00 0.00 179.25 179.84 3df2 h GLY 42 N 0.55 0.00 0.19 0.00 0.00 0.64 0.42 103.07 104.86 3df2 h GLY 42 Ca 0.26 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.44 3df2 h GLY 42 CO -0.18 0.00 -0.75 1.46 0.00 0.00 0.00 176.54 177.07 3df2 h GLN 43 N 0.00 0.08 -0.10 4.80 4.20 -0.05 -3.19 115.11 120.86 3df2 h GLN 43 Ca 0.13 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.73 3df2 h GLN 43 Cb 0.54 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 3df2 h GLN 43 CO -0.00 1.07 -0.15 1.88 -0.67 0.00 0.00 178.83 180.96 3df2 h TYR 44 N -0.79 -0.38 -0.10 2.96 0.99 0.95 -0.98 116.97 119.62 3df2 h TYR 44 Ca -0.18 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.61 3df2 h TYR 44 Cb 1.32 0.18 -0.06 0.00 1.00 0.00 0.00 36.73 39.17 3df2 h TYR 44 CO 0.19 -0.22 -0.29 0.00 -0.00 0.00 0.00 178.16 177.84 3df2 h ALA 45 N 0.84 -0.33 0.03 3.88 0.00 -0.35 0.17 119.26 123.50 3df2 h ALA 45 Ca 0.08 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3df2 h ALA 45 Cb 0.31 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3df2 h ALA 45 CO -0.22 -0.77 -0.38 -0.92 0.00 0.00 0.00 179.25 176.97 3df2 h TYR 46 N -0.38 -1.11 -0.44 0.00 3.20 -1.46 1.80 116.97 118.59 3df2 h TYR 46 Ca 0.09 0.03 0.13 0.00 3.14 0.00 0.00 58.73 62.12 3df2 h TYR 46 Cb 0.51 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 3df2 h TYR 46 CO -0.36 -0.41 0.46 -0.09 -1.64 0.00 0.00 178.16 176.11 3df2 h ARG 47 N -0.50 0.00 0.00 1.82 2.43 -0.91 0.27 114.38 117.49 3df2 h ARG 47 Ca 0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3df2 h ARG 47 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3df2 h ARG 47 CO -0.24 0.00 -1.39 -0.25 -1.51 0.00 0.00 179.97 176.58 3df2 n ASP 48 N -3.75 0.66 0.10 -3.80 10.43 0.58 -3.44 116.55 117.34 3df2 n ASP 48 Ca 0.08 0.27 0.15 0.00 2.57 0.00 0.00 54.79 57.87 3df2 n ASP 48 Cb 0.65 0.64 0.67 0.00 1.84 0.00 0.00 41.12 44.92 3df2 n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3df2 h ARG 49 N 0.00 0.00 0.04 -1.24 9.65 0.63 -0.91 114.38 122.55 3df2 h ARG 49 Ca -0.09 0.00 -0.31 0.00 -1.10 0.00 0.00 59.98 58.48 3df2 h ARG 49 Cb 1.27 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 3df2 h ARG 49 CO 0.02 0.00 -1.79 0.54 2.80 0.00 0.00 179.97 181.54 3df2 n ARG 50 N -4.44 0.67 -0.36 0.20 3.00 -1.19 -4.12 116.66 110.42 3df2 n ARG 50 Ca 0.05 0.29 -0.01 0.00 -0.01 0.00 0.00 57.85 58.17 3df2 n ARG 50 Cb 0.40 -1.77 0.13 0.00 0.00 0.00 0.00 32.46 31.21 3df2 n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3df2 h GLN 51 N 0.02 1.20 -0.45 5.56 4.20 -1.23 -2.86 115.11 121.56 3df2 h GLN 51 Ca -0.33 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.36 3df2 h GLN 51 Cb 2.02 -0.27 -0.08 0.00 0.30 0.00 0.00 27.48 29.45 3df2 h GLN 51 CO 0.08 0.79 -0.51 -0.09 -0.67 0.00 0.00 178.83 178.44 3df2 h ARG 52 N 1.23 -0.30 -0.50 1.46 2.43 -1.48 0.14 114.38 117.37 3df2 h ARG 52 Ca 0.38 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 3df2 h ARG 52 Cb -0.03 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.50 3df2 h ARG 52 CO -0.11 -0.20 -0.56 0.87 -1.51 0.00 0.00 179.97 178.46 3df2 h LYS 53 N -0.31 -0.33 -0.07 0.20 1.57 -1.70 -2.01 116.57 113.93 3df2 h LYS 53 Ca 0.08 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3df2 h LYS 53 Cb 0.51 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 3df2 h LYS 53 CO -0.59 -0.22 -0.42 0.00 -0.57 0.00 0.00 179.45 177.66 3df2 h ARG 54 N -0.34 -0.51 0.00 3.15 3.08 -1.31 -1.64 114.38 116.82 3df2 h ARG 54 Ca 0.09 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3df2 h ARG 54 Cb 0.57 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3df2 h ARG 54 CO -0.65 -0.34 0.00 1.04 -1.07 0.00 0.00 179.97 178.95 3df2 n GLN 55 N -5.44 0.00 -0.34 0.04 6.02 0.41 -0.85 117.38 117.22 3df2 n GLN 55 Ca -0.05 0.91 0.20 0.00 -0.01 0.00 0.00 57.00 58.05 3df2 n GLN 55 Cb 0.36 -1.46 0.43 0.00 1.02 0.00 0.00 30.24 30.60 3df2 n GLN 55 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3df2 h PHE 56 N 0.00 0.91 0.00 1.08 0.05 -1.34 0.53 116.94 118.17 3df2 h PHE 56 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 3df2 h PHE 56 Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.69 3df2 h PHE 56 CO -0.75 0.03 0.00 0.54 -0.18 0.00 0.00 178.31 177.95 3df2 n ARG 57 N -4.84 0.00 -0.26 1.51 1.74 -0.03 0.11 116.66 114.89 3df2 n ARG 57 Ca 0.27 0.53 0.24 0.00 -0.77 0.00 0.00 57.85 58.12 3df2 n ARG 57 Cb 0.82 -1.42 0.58 0.00 -1.02 0.00 0.00 32.46 31.42 3df2 n ARG 57 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3df2 h GLN 58 N 0.00 0.27 0.72 5.56 7.50 -0.74 -1.45 115.11 126.97 3df2 h GLN 58 Ca 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 3df2 h GLN 58 Cb 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 27.47 3df2 h GLN 58 CO 0.00 0.18 -0.41 1.25 -1.50 0.00 0.00 178.83 178.35 3df2 h LEU 59 N 0.28 -1.03 -0.19 1.46 7.12 0.90 0.16 115.31 124.01 3df2 h LEU 59 Ca 0.50 0.05 0.05 0.00 0.13 0.00 0.00 57.88 58.61 3df2 h LEU 59 Cb 1.48 0.29 -0.07 0.00 -0.53 0.00 0.00 40.66 41.83 3df2 h LEU 59 CO -0.16 -0.65 -0.43 -0.50 -0.13 0.00 0.00 178.44 176.57 3df2 h TRP 60 N -1.05 -1.24 -1.06 1.25 6.55 0.18 0.24 115.95 120.82 3df2 h TRP 60 Ca -0.10 0.05 0.28 0.00 0.95 0.00 0.00 58.89 60.08 3df2 h TRP 60 Cb 0.83 0.57 -0.08 0.00 -0.86 0.00 0.00 29.16 29.62 3df2 h TRP 60 CO -0.04 -0.47 0.71 0.82 -1.05 0.00 0.00 178.44 178.40 3df2 h ILE 61 N -0.46 0.50 -0.84 1.49 2.04 -1.27 0.64 117.51 119.61 3df2 h ILE 61 Ca 0.09 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 65.99 3df2 h ILE 61 Cb 0.62 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 3df2 h ILE 61 CO -0.44 0.05 0.55 0.00 0.00 0.00 0.00 178.15 178.31 3df2 h ALA 62 N 1.57 1.89 0.00 1.87 0.00 0.25 -1.92 119.26 122.92 3df2 h ALA 62 Ca 0.58 0.01 -0.33 0.00 0.00 0.00 0.00 54.91 55.16 3df2 h ALA 62 Cb 1.68 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 3df2 h ALA 62 CO -0.22 -0.11 -2.25 2.89 0.00 0.00 0.00 179.25 179.56 3df2 n ARG 63 N -4.53 0.84 -0.34 0.00 1.85 1.00 -2.92 116.66 112.56 3df2 n ARG 63 Ca 0.16 0.06 0.19 0.00 -1.00 0.00 0.00 57.85 57.26 3df2 n ARG 63 Cb 0.46 -1.45 0.42 0.00 -1.05 0.00 0.00 32.46 30.83 3df2 n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3df2 h ILE 64 N 0.00 0.55 0.05 8.89 1.08 0.25 0.75 117.51 129.07 3df2 h ILE 64 Ca -0.49 -0.19 -0.17 0.00 -0.39 0.00 0.00 64.86 63.62 3df2 h ILE 64 Cb 1.94 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.64 3df2 h ILE 64 CO -0.03 0.10 -0.89 -1.13 -0.69 0.00 0.00 178.15 175.52 3df2 h ASN 65 N 0.54 0.16 -1.13 1.72 -1.24 -1.55 -3.22 115.58 110.86 3df2 h ASN 65 Ca 0.62 -0.80 0.32 0.00 0.71 0.00 0.00 56.30 57.15 3df2 h ASN 65 Cb 1.29 -0.05 -0.08 0.00 0.73 0.00 0.00 38.32 40.20 3df2 h ASN 65 CO -0.41 1.37 0.76 0.00 -1.29 0.00 0.00 177.43 177.87 3df2 h ALA 66 N -0.16 2.63 0.04 1.57 0.00 -0.94 1.48 119.26 123.88 3df2 h ALA 66 Ca -0.21 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3df2 h ALA 66 Cb 1.38 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3df2 h ALA 66 CO -0.03 -1.03 -0.02 0.00 0.00 0.00 0.00 179.25 178.16 3df2 h ALA 67 N 1.53 -0.36 -0.46 0.00 0.00 0.30 -3.13 119.26 117.14 3df2 h ALA 67 Ca 0.61 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.64 3df2 h ALA 67 Cb 1.92 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.71 3df2 h ALA 67 CO -0.20 -0.35 0.48 0.00 0.00 0.00 0.00 179.25 179.18 3df2 h ALA 68 N -1.89 2.20 -2.40 0.00 0.00 -1.43 -1.28 119.26 114.47 3df2 h ALA 68 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3df2 h ALA 68 Cb 0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3df2 h ALA 68 CO 0.01 -0.72 0.00 -2.13 0.00 0.00 0.00 179.25 176.41 3df2 n ARG 69 N -3.76 0.00 0.06 0.00 3.00 0.50 -0.47 116.66 115.99 3df2 n ARG 69 Ca 0.09 0.22 0.21 0.00 -0.00 0.00 0.00 57.85 58.36 3df2 n ARG 69 Cb 0.67 -1.10 0.74 0.00 0.00 0.00 0.00 32.46 32.77 3df2 n ARG 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 3df2 h GLN 70 N 0.00 0.00 0.00 -0.14 -0.00 -1.45 -2.72 115.11 110.80 3df2 h GLN 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3df2 h GLN 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3df2 h GLN 70 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 178.83 177.12 3df2 n ASN 71 N -3.86 0.00 0.00 0.06 5.15 -0.51 -4.93 115.26 111.17 3df2 n ASN 71 Ca 0.08 0.76 0.00 0.00 -0.60 0.00 0.00 54.58 54.82 3df2 n ASN 71 Cb 0.63 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.62 3df2 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3df2 n GLY 72 N -0.78 0.00 3.43 8.20 0.00 0.38 -5.08 105.19 111.34 3df2 n GLY 72 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3df2 n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df2 s ILE 73 N 0.00 -0.01 0.59 -0.61 1.10 0.01 -5.04 121.20 117.24 3df2 s ILE 73 Ca 0.00 0.02 -0.13 0.00 -0.51 0.00 0.00 60.65 60.03 3df2 s ILE 73 Cb 0.00 -0.75 -0.05 0.00 0.15 0.00 0.00 42.46 41.81 3df2 s ILE 73 CO 0.00 0.01 1.02 -0.94 -2.11 0.00 0.00 174.94 172.92 3df2 s SER 74 N 0.70 6.27 0.02 4.50 1.04 -1.26 -2.69 113.70 122.27 3df2 s SER 74 Ca -0.03 1.50 -0.06 0.00 0.48 0.00 0.00 55.95 57.84 3df2 s SER 74 Cb -0.05 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 3df2 s SER 74 CO -0.05 -0.84 1.10 0.22 0.98 0.00 0.00 173.24 174.65 3df2 h TYR 75 N 0.07 -0.25 -0.72 5.02 3.20 -1.92 0.89 116.97 123.25 3df2 h TYR 75 Ca -0.45 0.00 0.22 0.00 3.14 0.00 0.00 58.73 61.65 3df2 h TYR 75 Cb 1.19 0.10 -0.13 0.00 1.54 0.00 0.00 36.73 39.43 3df2 h TYR 75 CO 0.65 -0.11 0.09 0.43 -1.64 0.00 0.00 178.16 177.58 3df2 n SER 76 N -2.90 -0.02 0.04 -2.11 7.64 -1.26 0.35 113.62 115.37 3df2 n SER 76 Ca -0.02 1.23 -0.21 0.00 1.01 0.00 0.00 58.87 60.88 3df2 n SER 76 Cb 0.08 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 3df2 n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3df2 h LYS 77 N 0.00 0.28 0.16 1.43 1.57 -1.82 -2.92 116.57 115.28 3df2 h LYS 77 Ca 0.47 -0.48 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3df2 h LYS 77 Cb 1.05 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3df2 h LYS 77 CO -0.66 1.23 -0.18 0.35 -0.57 0.00 0.00 179.45 179.62 3df2 h PHE 78 N -0.36 -0.51 -1.00 -1.35 -0.00 0.56 -1.41 116.94 112.87 3df2 h PHE 78 Ca -0.20 0.01 0.24 0.00 -0.00 0.00 0.00 57.97 58.02 3df2 h PHE 78 Cb 1.68 0.20 -0.09 0.00 -0.00 0.00 0.00 35.95 37.74 3df2 h PHE 78 CO 0.17 -0.24 0.65 0.97 -0.00 0.00 0.00 178.31 179.86 3df2 h ILE 79 N -0.35 0.59 -4.17 1.41 -0.00 -0.78 -3.28 117.51 110.93 3df2 h ILE 79 Ca -0.02 -0.15 -0.51 0.00 -0.00 0.00 0.00 64.86 64.18 3df2 h ILE 79 Cb 0.31 0.11 0.10 0.00 -0.00 0.00 0.00 36.82 37.34 3df2 h ILE 79 CO -0.03 0.08 0.39 0.21 -0.00 0.00 0.00 178.15 178.79 3df2 s ASN 80 N -5.38 5.10 0.00 2.19 3.04 -0.53 -2.41 114.94 116.95 3df2 s ASN 80 Ca -0.09 2.09 0.00 0.00 0.04 0.00 0.00 52.86 54.90 3df2 s ASN 80 Cb 0.24 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 3df2 s ASN 80 CO 0.79 -1.64 0.00 0.61 -3.04 0.00 0.00 177.10 173.83 3df2 n GLY 81 N -0.26 1.66 0.49 1.21 0.00 -1.26 -4.69 105.19 102.34 3df2 n GLY 81 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3df2 n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3df2 h LEU 82 N 0.00 -1.05 -0.96 0.99 3.38 -1.53 1.28 115.31 117.42 3df2 h LEU 82 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3df2 h LEU 82 Cb 0.00 0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3df2 h LEU 82 CO 0.00 -0.70 0.00 0.50 0.09 0.00 0.00 178.44 178.33 3df2 h LYS 83 N -1.32 0.00 0.01 1.13 3.64 -1.61 -2.44 116.57 115.98 3df2 h LYS 83 Ca -0.13 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.06 3df2 h LYS 83 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 3df2 h LYS 83 CO 0.21 0.00 -0.91 -0.22 -2.27 0.00 0.00 179.45 176.26 3df2 h LYS 84 N 0.00 0.07 -5.99 1.90 3.64 -1.69 -2.93 116.57 111.57 3df2 h LYS 84 Ca 0.00 -0.09 -0.59 0.00 -1.27 0.00 0.00 60.65 58.70 3df2 h LYS 84 Cb 0.65 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.39 3df2 h LYS 84 CO 0.00 0.93 0.77 0.00 -2.27 0.00 0.00 179.45 178.88 3df2 s ALA 85 N -3.01 2.99 -1.44 5.00 0.00 0.44 -4.31 121.76 121.44 3df2 s ALA 85 Ca -0.01 -1.42 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 3df2 s ALA 85 Cb 0.10 -3.98 0.12 0.00 0.00 0.00 0.00 23.12 19.36 3df2 s ALA 85 CO 0.82 -2.84 0.31 0.43 0.00 0.00 0.00 175.76 174.48 3df2 n SER 86 N 8.29 -0.64 0.00 0.00 7.64 -1.26 -4.11 113.62 123.54 3df2 n SER 86 Ca 0.01 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.87 3df2 n SER 86 Cb 0.47 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 3df2 n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3df2 n VAL 87 N -3.60 0.00 -1.94 0.44 0.31 -1.11 -4.95 118.33 107.49 3df2 n VAL 87 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3df2 n VAL 87 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3df2 n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3df2 n GLU 88 N 0.00 -4.88 0.00 5.55 0.00 -1.26 -3.37 120.64 116.69 3df2 n GLU 88 Ca 0.00 3.53 0.00 0.00 0.00 0.00 0.00 57.16 60.69 3df2 n GLU 88 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 31.44 27.59 3df2 n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3df2 n ILE 89 N 1.67 0.00 -0.58 6.31 2.08 -1.26 -4.41 119.36 123.17 3df2 n ILE 89 Ca 0.00 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.55 3df2 n ILE 89 Cb 0.00 -1.14 0.00 0.00 -0.75 0.00 0.00 39.64 37.75 3df2 n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3df2 n ASP 90 N -1.84 -0.56 -0.53 4.38 9.92 -1.26 -4.77 116.55 121.90 3df2 n ASP 90 Ca 0.00 0.00 0.04 0.00 -0.53 0.00 0.00 54.79 54.30 3df2 n ASP 90 Cb 0.00 -2.41 -0.01 0.00 -0.64 0.00 0.00 41.12 38.06 3df2 n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3df2 n ARG 91 N -1.74 -0.64 -0.08 -1.24 0.63 -1.26 -2.97 116.66 109.36 3df2 n ARG 91 Ca 0.00 0.42 -0.06 0.00 -0.92 0.00 0.00 57.85 57.29 3df2 n ARG 91 Cb 0.04 -0.78 -0.15 0.00 0.45 0.00 0.00 32.46 32.02 3df2 n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3df2 n LYS 92 N -1.49 0.82 -0.05 -0.14 5.02 -1.26 -3.81 118.16 117.24 3df2 n LYS 92 Ca 0.00 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 3df2 n LYS 92 Cb 0.15 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.54 3df2 n LYS 92 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3df2 h ILE 93 N 0.00 1.67 0.00 -0.18 2.10 -1.97 -3.08 117.51 116.06 3df2 h ILE 93 Ca -0.44 -2.08 0.00 0.00 1.08 0.00 0.00 64.86 63.42 3df2 h ILE 93 Cb 1.99 3.07 0.00 0.00 -1.09 0.00 0.00 36.82 40.78 3df2 h ILE 93 CO 0.02 0.55 0.03 -0.07 -1.08 0.00 0.00 178.15 177.60 3df2 h LEU 94 N -0.80 0.00 0.00 2.19 -0.00 -1.78 0.22 115.31 115.14 3df2 h LEU 94 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 3df2 h LEU 94 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 3df2 h LEU 94 CO 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.46 3df2 n ALA 95 N -2.06 1.91 0.36 1.53 0.00 -1.16 -2.42 120.51 118.67 3df2 n ALA 95 Ca -0.03 -0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.50 3df2 n ALA 95 Cb 0.09 -1.01 0.39 0.00 0.00 0.00 0.00 19.45 18.93 3df2 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df2 n ASP 96 N -0.52 0.37 0.00 0.00 5.68 0.77 -1.76 116.55 121.09 3df2 n ASP 96 Ca 0.00 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 3df2 n ASP 96 Cb 0.00 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 3df2 n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3df2 n ILE 97 N -1.93 1.31 0.15 2.12 -5.35 -1.01 0.13 119.36 114.77 3df2 n ILE 97 Ca 0.02 0.33 0.04 0.00 -0.27 0.00 0.00 62.75 62.87 3df2 n ILE 97 Cb 0.16 -1.33 0.05 0.00 -1.74 0.00 0.00 39.64 36.78 3df2 n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3df2 h ALA 98 N 1.98 0.73 -0.86 -1.28 0.00 -1.61 -3.35 119.26 114.87 3df2 h ALA 98 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3df2 h ALA 98 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3df2 h ALA 98 CO 0.00 0.51 0.00 0.28 0.00 0.00 0.00 179.25 180.04 3df2 n VAL 99 N -3.19 0.00 -2.94 0.00 0.31 0.34 -4.61 118.33 108.25 3df2 n VAL 99 Ca 0.02 0.36 -0.34 0.00 -0.01 0.00 0.00 64.34 64.37 3df2 n VAL 99 Cb 0.70 -1.17 -0.07 0.00 -0.91 0.00 0.00 33.84 32.39 3df2 n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3df2 s PHE 100 N -0.71 3.42 -1.11 3.52 2.99 -1.02 -3.95 117.98 121.11 3df2 s PHE 100 Ca 0.00 1.50 -0.06 0.00 0.00 0.00 0.00 56.93 58.37 3df2 s PHE 100 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 43.02 40.23 3df2 s PHE 100 CO 0.00 0.04 0.91 -3.47 -0.00 0.00 0.00 175.22 172.70 3df2 n ASP 101 N -0.25 -5.07 -0.19 1.36 4.64 -1.26 -4.28 116.55 111.50 3df2 n ASP 101 Ca 0.04 -0.73 0.21 0.00 -1.38 0.00 0.00 54.79 52.93 3df2 n ASP 101 Cb 0.53 -4.94 0.58 0.00 -1.04 0.00 0.00 41.12 36.25 3df2 n ASP 101 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3df2 h LYS 102 N -1.41 0.26 -0.65 -0.67 1.57 -1.69 0.29 116.57 114.27 3df2 h LYS 102 Ca -0.61 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.23 3df2 h LYS 102 Cb 1.33 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.51 3df2 h LYS 102 CO 0.47 0.17 0.31 0.28 -0.57 0.00 0.00 179.45 180.11 3df2 h VAL 103 N 0.27 0.87 -3.30 0.50 2.07 -1.88 -3.34 116.25 111.43 3df2 h VAL 103 Ca 0.42 -0.19 -0.42 0.00 0.82 0.00 0.00 66.70 67.33 3df2 h VAL 103 Cb 1.22 0.27 0.20 0.00 -1.52 0.00 0.00 31.29 31.46 3df2 h VAL 103 CO -0.11 0.10 0.01 0.00 0.02 0.00 0.00 177.57 177.60 3df2 s ALA 104 N -6.09 -0.28 0.00 1.67 0.00 0.10 -3.10 121.76 114.06 3df2 s ALA 104 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.38 3df2 s ALA 104 Cb 0.17 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.18 3df2 s ALA 104 CO 0.75 -3.90 0.00 0.34 0.00 0.00 0.00 175.76 172.95 3df2 n PHE 105 N -5.00 0.00 -0.25 0.00 -0.00 -1.26 -4.38 117.46 106.56 3df2 n PHE 105 Ca 0.07 0.00 0.26 0.00 -0.00 0.00 0.00 57.45 57.78 3df2 n PHE 105 Cb 0.57 0.00 0.63 0.00 -0.00 0.00 0.00 39.48 40.68 3df2 n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3df2 h THR 106 N 0.00 0.55 0.11 -2.13 2.02 -1.67 0.32 112.91 112.10 3df2 h THR 106 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3df2 h THR 106 Cb 0.00 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3df2 h THR 106 CO 0.00 0.03 -0.05 0.00 0.37 0.00 0.00 175.52 175.87 3df2 h ALA 107 N 1.56 -0.14 -0.99 6.16 0.00 -1.76 -2.92 119.26 121.16 3df2 h ALA 107 Ca 0.50 -0.25 0.24 0.00 0.00 0.00 0.00 54.91 55.40 3df2 h ALA 107 Cb 1.64 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 19.36 3df2 h ALA 107 CO -0.11 -0.30 0.58 -0.07 0.00 0.00 0.00 179.25 179.35 3df2 h LEU 108 N -0.71 0.65 0.09 0.00 4.07 -0.87 0.18 115.31 118.72 3df2 h LEU 108 Ca -0.01 0.13 0.02 0.00 0.08 0.00 0.00 57.88 58.10 3df2 h LEU 108 Cb 0.54 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.27 3df2 h LEU 108 CO 0.02 0.11 -0.43 0.58 -1.08 0.00 0.00 178.44 177.64 3df2 h VAL 109 N 0.58 0.14 0.06 1.22 2.07 -0.62 0.90 116.25 120.60 3df2 h VAL 109 Ca 0.63 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.18 3df2 h VAL 109 Cb 1.18 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3df2 h VAL 109 CO -0.47 0.00 -0.29 -0.08 0.02 0.00 0.00 177.57 176.75 3df2 h GLU 110 N -0.65 -0.45 -0.96 1.57 4.57 -0.56 0.67 114.58 118.77 3df2 h GLU 110 Ca 0.02 0.03 0.28 0.00 -1.18 0.00 0.00 59.36 58.52 3df2 h GLU 110 Cb 0.68 0.10 -0.17 0.00 -0.16 0.00 0.00 28.75 29.20 3df2 h GLU 110 CO -0.27 -0.30 0.14 -0.22 -1.18 0.00 0.00 179.01 177.19 3df2 h LYS 111 N -0.47 0.05 0.28 1.92 1.63 -0.39 -0.45 116.57 119.14 3df2 h LYS 111 Ca 0.05 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3df2 h LYS 111 Cb 0.52 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 3df2 h LYS 111 CO -0.21 0.03 -0.13 0.00 -3.45 0.00 0.00 179.45 175.69 3df2 h ALA 112 N 1.93 -0.45 -0.67 5.00 0.00 0.68 -2.41 119.26 123.34 3df2 h ALA 112 Ca 0.62 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.54 3df2 h ALA 112 Cb 1.33 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 3df2 h ALA 112 CO -0.84 -0.43 -0.30 1.63 0.00 0.00 0.00 179.25 179.31 3df2 n LYS 113 N -4.39 -0.20 0.07 0.00 5.02 0.22 0.59 118.16 119.47 3df2 n LYS 113 Ca -0.05 1.03 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 3df2 n LYS 113 Cb 0.15 -1.52 -0.08 0.00 -0.02 0.00 0.00 35.03 33.55 3df2 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df2 h ALA 114 N 0.75 -0.15 -0.92 7.82 0.00 -1.25 0.55 119.26 126.06 3df2 h ALA 114 Ca 0.19 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.22 3df2 h ALA 114 Cb 0.36 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 3df2 h ALA 114 CO -0.66 -0.48 0.43 0.00 0.00 0.00 0.00 179.25 178.55 3df2 h ALA 115 N 0.51 1.53 0.00 0.00 0.00 0.68 0.54 119.26 122.52 3df2 h ALA 115 Ca -0.01 0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3df2 h ALA 115 Cb 0.29 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3df2 h ALA 115 CO 0.02 -0.35 -0.87 -0.07 0.00 0.00 0.00 179.25 177.99 3df2 h LEU 116 N 0.42 0.00 0.00 0.00 4.07 -0.21 -3.48 115.31 116.11 3df2 h LEU 116 Ca 0.59 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.55 3df2 h LEU 116 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3df2 h LEU 116 CO -0.53 0.87 0.00 0.00 -1.08 0.00 0.00 178.44 177.70