#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ARG 2 N 0.00 -0.22 -3.91 0.00 0.63 -1.26 -5.10 116.66 106.80 3df4 n ARG 2 Ca 0.00 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.83 3df4 n ARG 2 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3df4 n ARG 2 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3df4 s VAL 3 N -0.95 0.09 0.05 5.15 1.01 -1.26 -5.08 120.40 119.42 3df4 s VAL 3 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 3df4 s VAL 3 Cb 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 3df4 s VAL 3 CO 0.00 -0.43 1.22 0.11 0.00 0.00 0.00 175.10 176.00 3df4 h LYS 4 N 4.42 -0.19 -0.64 2.72 1.57 -2.07 -3.45 116.57 118.92 3df4 h LYS 4 Ca -0.31 0.01 -0.28 0.00 -1.87 0.00 0.00 60.65 58.20 3df4 h LYS 4 Cb 1.20 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 3df4 h LYS 4 CO 0.41 -0.13 -0.25 0.54 -0.57 0.00 0.00 179.45 179.45 3df4 n ARG 5 N -3.73 -1.54 0.00 3.15 1.74 -1.26 -4.90 116.66 110.12 3df4 n ARG 5 Ca -0.02 0.97 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 3df4 n ARG 5 Cb 0.14 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.26 3df4 n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 6 N -0.13 0.37 0.27 -0.13 0.00 -1.26 -4.70 105.19 99.61 3df4 n GLY 6 Ca -0.13 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.11 3df4 n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3df4 n VAL 7 N 0.00 -0.35 -0.25 1.61 0.24 -1.26 -0.90 118.33 117.42 3df4 n VAL 7 Ca 0.00 1.72 0.04 0.00 -2.04 0.00 0.00 64.34 64.06 3df4 n VAL 7 Cb 0.00 -2.71 0.09 0.00 -1.47 0.00 0.00 33.84 29.75 3df4 n VAL 7 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3df4 n ILE 8 N -4.97 -0.30 -0.08 1.34 -0.00 -1.26 0.10 119.36 114.20 3df4 n ILE 8 Ca 0.28 1.61 -0.14 0.00 -0.00 0.00 0.00 62.75 64.50 3df4 n ILE 8 Cb 0.94 -2.22 -0.11 0.00 -0.00 0.00 0.00 39.64 38.25 3df4 n ILE 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3df4 h ALA 9 N 1.37 0.07 0.00 -1.39 0.00 -1.30 -2.49 119.26 115.52 3df4 h ALA 9 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3df4 h ALA 9 Cb 0.51 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3df4 h ALA 9 CO -0.72 0.20 0.27 -0.09 0.00 0.00 0.00 179.25 178.92 3df4 h ARG 10 N -1.00 0.00 0.00 0.00 9.65 -1.00 1.57 114.38 123.61 3df4 h ARG 10 Ca -0.09 0.00 -0.35 0.00 -1.10 0.00 0.00 59.98 58.44 3df4 h ARG 10 Cb 0.96 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.47 3df4 h ARG 10 CO -0.06 0.00 -2.23 0.00 2.80 0.00 0.00 179.97 180.49 3df4 n ALA 11 N -1.64 1.50 -0.03 2.80 0.00 0.28 -3.58 120.51 119.83 3df4 n ALA 11 Ca -0.01 -1.20 -0.17 0.00 0.00 0.00 0.00 53.44 52.06 3df4 n ALA 11 Cb 0.30 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 3df4 n ALA 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3df4 h ARG 12 N 0.00 0.74 0.73 0.00 2.43 0.23 -2.99 114.38 115.52 3df4 h ARG 12 Ca -0.49 -0.58 -0.04 0.00 -0.81 0.00 0.00 59.98 58.07 3df4 h ARG 12 Cb 2.19 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 31.86 3df4 h ARG 12 CO 0.04 1.19 -0.35 0.45 -1.51 0.00 0.00 179.97 179.79 3df4 h HIS 13 N 0.45 -0.91 -1.00 2.20 3.86 0.50 -2.92 115.15 117.34 3df4 h HIS 13 Ca -0.04 -0.02 0.28 0.00 -1.16 0.00 0.00 60.37 59.43 3df4 h HIS 13 Cb 1.30 0.30 -0.19 0.00 1.06 0.00 0.00 27.41 29.89 3df4 h HIS 13 CO 0.09 -0.57 0.05 0.87 0.86 0.00 0.00 177.93 179.23 3df4 h LYS 14 N -1.02 0.00 -0.27 2.45 1.57 -1.66 1.11 116.57 118.75 3df4 h LYS 14 Ca -0.10 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3df4 h LYS 14 Cb 0.76 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.00 3df4 h LYS 14 CO 0.17 0.00 -0.52 -0.22 -0.57 0.00 0.00 179.45 178.31 3df4 h LYS 15 N 0.00 -0.43 0.43 3.15 3.11 -1.36 -1.05 116.57 120.43 3df4 h LYS 15 Ca 0.62 0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.46 3df4 h LYS 15 Cb 1.29 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.62 3df4 h LYS 15 CO -0.93 -0.29 -0.21 0.82 -2.81 0.00 0.00 179.45 176.04 3df4 h ILE 16 N -0.44 0.55 0.00 2.00 5.03 -0.20 -3.06 117.51 121.39 3df4 h ILE 16 Ca 0.05 -0.33 -0.04 0.00 -0.12 0.00 0.00 64.86 64.42 3df4 h ILE 16 Cb 0.59 0.70 -0.01 0.00 -3.03 0.00 0.00 36.82 35.06 3df4 h ILE 16 CO -0.49 0.06 0.11 -0.11 -0.68 0.00 0.00 178.15 177.03 3df4 n LEU 17 N -5.26 1.85 0.13 1.44 7.94 0.34 -2.64 117.00 120.80 3df4 n LEU 17 Ca -0.11 -1.19 0.00 0.00 -1.11 0.00 0.00 56.01 53.60 3df4 n LEU 17 Cb 0.28 -0.45 0.00 0.00 0.53 0.00 0.00 43.42 43.78 3df4 n LEU 17 CO 0.33 0.30 0.00 1.17 -1.11 0.00 0.00 177.39 178.08 3df4 n LYS 18 N 2.41 0.00 0.00 1.96 0.00 -0.47 -4.72 118.16 117.34 3df4 n LYS 18 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.43 3df4 n LYS 18 Cb 0.26 -0.01 0.17 0.00 0.00 0.00 0.00 35.03 35.46 3df4 n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df4 n GLN 19 N -3.34 0.16 0.03 1.64 10.64 -1.08 -0.06 117.38 125.36 3df4 n GLN 19 Ca 0.00 0.07 -0.07 0.00 -1.83 0.00 0.00 57.00 55.17 3df4 n GLN 19 Cb 0.00 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.76 3df4 n GLN 19 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3df4 h ALA 20 N 2.35 0.56 -1.58 2.61 0.00 -1.84 -3.47 119.26 117.89 3df4 h ALA 20 Ca 0.00 -1.13 -0.67 0.00 0.00 0.00 0.00 54.91 53.11 3df4 h ALA 20 Cb 0.02 0.14 0.07 0.00 0.00 0.00 0.00 17.79 18.02 3df4 h ALA 20 CO 0.00 1.36 0.20 1.63 0.00 0.00 0.00 179.25 182.44 3df4 n LYS 21 N -3.19 0.91 0.00 0.00 4.76 0.91 -2.30 118.16 119.24 3df4 n LYS 21 Ca -0.08 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.69 3df4 n LYS 21 Cb 0.98 -1.80 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3df4 n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df4 n GLY 22 N 2.01 1.27 3.81 0.72 0.00 -1.26 -5.07 105.19 106.67 3df4 n GLY 22 Ca 0.16 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 3df4 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3df4 s TYR 23 N -1.41 1.51 0.31 1.61 4.12 -0.97 -5.08 117.35 117.43 3df4 s TYR 23 Ca 0.00 0.48 0.08 0.00 0.02 0.00 0.00 57.07 57.65 3df4 s TYR 23 Cb 0.00 -3.77 -0.04 0.00 -1.52 0.00 0.00 41.96 36.63 3df4 s TYR 23 CO 0.00 -2.91 0.19 -0.47 0.02 0.00 0.00 175.55 172.38 3df4 s TYR 24 N -3.52 2.87 0.00 2.71 5.04 -1.26 -4.70 117.35 118.49 3df4 s TYR 24 Ca 0.71 -0.27 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 3df4 s TYR 24 Cb -0.08 -1.58 0.00 0.00 0.35 0.00 0.00 41.96 40.65 3df4 s TYR 24 CO 0.54 0.37 0.00 0.41 -1.34 0.00 0.00 175.55 175.52 3df4 n GLY 25 N -1.20 -1.58 0.33 8.97 0.00 -1.26 -3.62 105.19 106.84 3df4 n GLY 25 Ca -0.04 -1.26 0.22 0.00 0.00 0.00 0.00 46.02 44.94 3df4 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 h ALA 26 N -0.34 1.02 0.00 4.61 0.00 -1.96 -2.29 119.26 120.30 3df4 h ALA 26 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3df4 h ALA 26 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3df4 h ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3df4 n ARG 27 N -3.11 0.00 0.00 0.00 1.74 -1.24 0.11 116.66 114.16 3df4 n ARG 27 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 3df4 n ARG 27 Cb 0.09 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3df4 n ARG 27 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3df4 n SER 28 N -0.89 0.04 0.00 0.55 7.64 -0.86 -3.96 113.62 116.15 3df4 n SER 28 Ca 0.00 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 3df4 n SER 28 Cb 0.00 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 3df4 n SER 28 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 3df4 n ARG 29 N -0.72 0.00 -2.79 1.43 1.85 0.13 -4.69 116.66 111.87 3df4 n ARG 29 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3df4 n ARG 29 Cb 0.00 -0.61 -0.07 0.00 -1.05 0.00 0.00 32.46 30.73 3df4 n ARG 29 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3df4 s VAL 30 N -1.90 4.28 -0.11 8.89 1.01 0.30 -5.01 120.40 127.86 3df4 s VAL 30 Ca 0.00 1.65 -0.08 0.00 0.00 0.00 0.00 61.98 63.54 3df4 s VAL 30 Cb 0.00 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 3df4 s VAL 30 CO 0.00 -0.09 0.21 0.22 0.00 0.00 0.00 175.10 175.45 3df4 h TYR 31 N 2.54 0.00 -0.24 5.22 3.20 -1.97 -2.54 116.97 123.17 3df4 h TYR 31 Ca -0.48 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.46 3df4 h TYR 31 Cb 1.19 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.45 3df4 h TYR 31 CO 0.62 0.28 0.84 0.00 -1.64 0.00 0.00 178.16 178.26 3df4 h ARG 32 N -1.00 0.00 0.00 1.82 3.08 -1.95 0.43 114.38 116.76 3df4 h ARG 32 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 3df4 h ARG 32 Cb 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3df4 h ARG 32 CO -0.00 0.00 -1.93 1.33 -1.07 0.00 0.00 179.97 178.30 3df4 n VAL 33 N -2.84 1.41 -0.39 2.04 0.24 -1.25 -4.05 118.33 113.49 3df4 n VAL 33 Ca 0.05 -0.19 0.31 0.00 -2.04 0.00 0.00 64.34 62.47 3df4 n VAL 33 Cb 0.93 -1.98 0.59 0.00 -1.47 0.00 0.00 33.84 31.91 3df4 n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3df4 h ALA 34 N -0.90 2.53 0.49 2.33 0.00 -0.81 1.14 119.26 124.04 3df4 h ALA 34 Ca -0.44 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3df4 h ALA 34 Cb 1.35 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3df4 h ALA 34 CO -0.26 -1.07 -0.24 0.35 0.00 0.00 0.00 179.25 178.03 3df4 h PHE 35 N 0.21 -0.61 -0.28 0.00 3.04 -1.17 0.49 116.94 118.62 3df4 h PHE 35 Ca 0.72 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.74 3df4 h PHE 35 Cb 2.13 0.20 -0.01 0.00 2.56 0.00 0.00 35.95 40.83 3df4 h PHE 35 CO -0.00 -0.38 0.32 1.96 -2.02 0.00 0.00 178.31 178.19 3df4 h GLN 36 N -0.68 0.00 0.41 1.11 4.20 -0.76 -0.47 115.11 118.91 3df4 h GLN 36 Ca -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 3df4 h GLN 36 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3df4 h GLN 36 CO 0.11 0.00 -0.20 0.00 -0.67 0.00 0.00 178.83 178.07 3df4 h ALA 37 N 1.61 -0.55 0.71 3.87 0.00 0.20 -2.67 119.26 122.44 3df4 h ALA 37 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3df4 h ALA 37 Cb 0.78 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3df4 h ALA 37 CO -0.00 -0.72 -0.34 0.28 0.00 0.00 0.00 179.25 178.46 3df4 h VAL 38 N -0.72 0.11 -0.71 0.00 2.07 0.62 -2.88 116.25 114.75 3df4 h VAL 38 Ca -0.06 -0.26 0.09 0.00 0.82 0.00 0.00 66.70 67.30 3df4 h VAL 38 Cb 0.51 0.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.32 3df4 h VAL 38 CO 0.09 0.01 -0.33 -0.38 0.02 0.00 0.00 177.57 176.99 3df4 n ILE 39 N -5.43 -0.41 -0.08 4.57 2.08 -0.52 0.17 119.36 119.74 3df4 n ILE 39 Ca -0.13 1.67 -0.07 0.00 0.56 0.00 0.00 62.75 64.79 3df4 n ILE 39 Cb 0.39 -2.16 -0.00 0.00 -0.75 0.00 0.00 39.64 37.12 3df4 n ILE 39 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3df4 h LYS 40 N 0.00 -0.06 -0.50 0.38 3.11 -1.48 -1.48 116.57 116.54 3df4 h LYS 40 Ca 0.20 0.00 0.05 0.00 -2.81 0.00 0.00 60.65 58.09 3df4 h LYS 40 Cb 0.37 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.57 3df4 h LYS 40 CO -0.69 -0.04 0.23 0.00 -2.81 0.00 0.00 179.45 176.14 3df4 h ALA 41 N 1.21 0.63 -0.35 5.00 0.00 0.19 0.67 119.26 126.61 3df4 h ALA 41 Ca 0.15 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.20 3df4 h ALA 41 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3df4 h ALA 41 CO -0.35 -0.13 0.26 0.78 0.00 0.00 0.00 179.25 179.81 3df4 h GLY 42 N 0.45 0.00 0.18 0.00 0.00 0.57 0.52 103.07 104.79 3df4 h GLY 42 Ca 0.22 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 3df4 h GLY 42 CO -0.18 0.00 -0.63 1.46 0.00 0.00 0.00 176.54 177.19 3df4 h GLN 43 N 0.00 0.08 -0.15 4.80 4.20 -0.04 -3.15 115.11 120.85 3df4 h GLN 43 Ca 0.17 -0.14 0.04 0.00 0.06 0.00 0.00 58.65 58.78 3df4 h GLN 43 Cb 0.68 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.47 3df4 h GLN 43 CO -0.00 1.06 -0.10 1.88 -0.67 0.00 0.00 178.83 181.01 3df4 h TYR 44 N -0.81 -0.24 -0.00 2.96 0.99 0.11 -1.09 116.97 118.89 3df4 h TYR 44 Ca -0.15 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.63 3df4 h TYR 44 Cb 1.28 0.13 -0.05 0.00 1.00 0.00 0.00 36.73 39.09 3df4 h TYR 44 CO 0.20 -0.15 -0.31 0.00 -0.00 0.00 0.00 178.16 177.90 3df4 h ALA 45 N 1.02 -0.44 -0.01 3.88 0.00 -0.16 0.12 119.26 123.68 3df4 h ALA 45 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3df4 h ALA 45 Cb 0.23 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3df4 h ALA 45 CO -0.21 -0.82 -0.37 -0.92 0.00 0.00 0.00 179.25 176.93 3df4 h TYR 46 N -0.46 -1.08 -0.62 0.00 3.20 -1.44 1.71 116.97 118.28 3df4 h TYR 46 Ca 0.06 0.04 0.18 0.00 3.14 0.00 0.00 58.73 62.15 3df4 h TYR 46 Cb 0.55 0.47 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 3df4 h TYR 46 CO -0.34 -0.39 0.55 -0.09 -1.64 0.00 0.00 178.16 176.26 3df4 h ARG 47 N -0.45 0.00 0.00 1.82 2.43 -0.99 0.25 114.38 117.44 3df4 h ARG 47 Ca 0.01 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 3df4 h ARG 47 Cb 0.49 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 3df4 h ARG 47 CO -0.25 0.00 -1.43 -0.44 -1.51 0.00 0.00 179.97 176.34 3df4 h ASP 48 N 0.00 0.00 -0.69 -3.80 3.45 0.16 -3.22 116.42 112.32 3df4 h ASP 48 Ca 0.30 0.00 0.19 0.00 0.43 0.00 0.00 57.03 57.95 3df4 h ASP 48 Cb 1.39 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 40.13 3df4 h ASP 48 CO -0.00 0.63 0.49 -0.09 -1.57 0.00 0.00 179.24 178.69 3df4 h ARG 49 N 0.00 0.06 0.07 3.56 9.65 0.60 0.48 114.38 128.79 3df4 h ARG 49 Ca -0.17 -0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.38 3df4 h ARG 49 Cb 1.63 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 30.17 3df4 h ARG 49 CO 0.05 0.04 -1.77 0.00 2.80 0.00 0.00 179.97 181.09 3df4 h ARG 50 N 0.06 0.14 -0.93 0.20 -0.00 -1.64 -3.36 114.38 108.85 3df4 h ARG 50 Ca 0.33 -0.24 0.05 0.00 -0.50 0.00 0.00 59.98 59.62 3df4 h ARG 50 Cb 1.24 0.09 -0.06 0.00 0.00 0.00 0.00 29.97 31.24 3df4 h ARG 50 CO -0.02 0.87 0.59 1.96 0.00 0.00 0.00 179.97 183.37 3df4 h GLN 51 N 0.04 1.08 -0.45 0.04 4.20 -0.96 -2.82 115.11 116.24 3df4 h GLN 51 Ca -0.32 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.37 3df4 h GLN 51 Cb 2.02 -0.24 -0.07 0.00 0.30 0.00 0.00 27.48 29.48 3df4 h GLN 51 CO 0.10 0.72 -0.46 -0.09 -0.67 0.00 0.00 178.83 178.42 3df4 h ARG 52 N 1.11 -0.23 -0.49 1.46 2.43 -1.40 0.12 114.38 117.38 3df4 h ARG 52 Ca 0.39 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.62 3df4 h ARG 52 Cb 0.09 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 3df4 h ARG 52 CO -0.15 -0.15 -0.49 0.87 -1.51 0.00 0.00 179.97 178.54 3df4 h LYS 53 N -0.24 -0.24 -0.17 0.20 1.57 -1.69 -1.99 116.57 114.01 3df4 h LYS 53 Ca 0.08 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.92 3df4 h LYS 53 Cb 0.44 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.74 3df4 h LYS 53 CO -0.55 -0.16 -0.45 0.00 -0.57 0.00 0.00 179.45 177.71 3df4 h ARG 54 N -0.25 -0.48 0.00 3.15 3.08 -1.33 -1.70 114.38 116.85 3df4 h ARG 54 Ca 0.08 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3df4 h ARG 54 Cb 0.46 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3df4 h ARG 54 CO -0.59 -0.32 0.00 1.04 -1.07 0.00 0.00 179.97 179.03 3df4 n GLN 55 N -5.43 0.00 -0.34 0.04 6.02 0.36 -0.76 117.38 117.26 3df4 n GLN 55 Ca -0.04 0.88 0.21 0.00 -0.01 0.00 0.00 57.00 58.03 3df4 n GLN 55 Cb 0.37 -1.40 0.44 0.00 1.02 0.00 0.00 30.24 30.66 3df4 n GLN 55 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3df4 h PHE 56 N 0.00 0.95 0.00 1.08 0.05 -1.33 0.51 116.94 118.19 3df4 h PHE 56 Ca 0.00 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3df4 h PHE 56 Cb 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.69 3df4 h PHE 56 CO -0.71 -0.03 0.00 0.54 -0.18 0.00 0.00 178.31 177.93 3df4 n ARG 57 N -4.92 0.00 -0.30 1.51 1.74 0.06 0.13 116.66 114.88 3df4 n ARG 57 Ca 0.29 0.52 0.22 0.00 -0.77 0.00 0.00 57.85 58.11 3df4 n ARG 57 Cb 0.86 -1.39 0.52 0.00 -1.02 0.00 0.00 32.46 31.43 3df4 n ARG 57 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3df4 h GLN 58 N 0.00 0.37 0.65 5.56 7.50 -0.71 -1.33 115.11 127.16 3df4 h GLN 58 Ca 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 58.65 59.10 3df4 h GLN 58 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 3df4 h GLN 58 CO 0.00 0.25 -0.43 1.25 -1.50 0.00 0.00 178.83 178.40 3df4 h LEU 59 N 0.39 -1.10 -0.21 1.46 7.12 0.86 0.19 115.31 124.02 3df4 h LEU 59 Ca 0.55 0.07 0.05 0.00 0.13 0.00 0.00 57.88 58.68 3df4 h LEU 59 Cb 1.43 0.33 -0.07 0.00 -0.53 0.00 0.00 40.66 41.81 3df4 h LEU 59 CO -0.24 -0.64 -0.41 -0.50 -0.13 0.00 0.00 178.44 176.52 3df4 h TRP 60 N -1.02 -1.16 -1.05 1.25 6.55 0.21 0.23 115.95 120.96 3df4 h TRP 60 Ca -0.09 0.05 0.27 0.00 0.95 0.00 0.00 58.89 60.08 3df4 h TRP 60 Cb 0.83 0.54 -0.09 0.00 -0.86 0.00 0.00 29.16 29.58 3df4 h TRP 60 CO -0.10 -0.45 0.69 0.82 -1.05 0.00 0.00 178.44 178.35 3df4 h ILE 61 N -0.43 0.51 -0.98 1.49 2.04 -1.19 0.57 117.51 119.52 3df4 h ILE 61 Ca 0.10 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 66.00 3df4 h ILE 61 Cb 0.60 0.15 -0.09 0.00 -0.74 0.00 0.00 36.82 36.75 3df4 h ILE 61 CO -0.44 0.06 0.61 0.00 0.00 0.00 0.00 178.15 178.38 3df4 h ALA 62 N 1.59 1.68 0.01 1.87 0.00 0.27 -1.69 119.26 122.98 3df4 h ALA 62 Ca 0.58 0.04 -0.38 0.00 0.00 0.00 0.00 54.91 55.15 3df4 h ALA 62 Cb 1.60 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 3df4 h ALA 62 CO -0.25 0.03 -2.40 2.89 0.00 0.00 0.00 179.25 179.52 3df4 n ARG 63 N -4.65 0.67 -0.34 0.00 1.85 0.65 -2.67 116.66 112.16 3df4 n ARG 63 Ca 0.20 0.10 0.20 0.00 -1.00 0.00 0.00 57.85 57.36 3df4 n ARG 63 Cb 0.48 -1.54 0.43 0.00 -1.05 0.00 0.00 32.46 30.78 3df4 n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3df4 h ILE 64 N 0.00 0.48 0.04 8.89 1.08 0.16 0.82 117.51 128.99 3df4 h ILE 64 Ca -0.55 -0.17 -0.16 0.00 -0.39 0.00 0.00 64.86 63.59 3df4 h ILE 64 Cb 2.03 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 3df4 h ILE 64 CO -0.03 0.09 -0.82 -1.13 -0.69 0.00 0.00 178.15 175.56 3df4 h ASN 65 N 0.49 0.14 -1.10 1.72 -1.24 -1.49 -3.23 115.58 110.86 3df4 h ASN 65 Ca 0.66 -0.80 0.31 0.00 0.71 0.00 0.00 56.30 57.17 3df4 h ASN 65 Cb 1.39 -0.04 -0.11 0.00 0.73 0.00 0.00 38.32 40.29 3df4 h ASN 65 CO -0.46 1.34 0.70 0.00 -1.29 0.00 0.00 177.43 177.72 3df4 h ALA 66 N -0.16 2.32 -0.42 1.57 0.00 -0.77 1.40 119.26 123.20 3df4 h ALA 66 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3df4 h ALA 66 Cb 1.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3df4 h ALA 66 CO -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 179.25 178.41 3df4 n ALA 67 N -2.47 -0.20 -0.11 0.00 0.00 0.27 -2.98 120.51 115.02 3df4 n ALA 67 Ca 0.29 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.99 3df4 n ALA 67 Cb 1.01 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.17 3df4 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df4 h ALA 68 N -2.00 2.63 -2.44 0.00 0.00 -1.47 -1.07 119.26 114.92 3df4 h ALA 68 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3df4 h ALA 68 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3df4 h ALA 68 CO 0.00 -1.09 0.00 -2.13 0.00 0.00 0.00 179.25 176.03 3df4 n ARG 69 N -3.89 0.00 0.12 0.00 3.00 0.48 -0.32 116.66 116.05 3df4 n ARG 69 Ca 0.16 0.24 0.20 0.00 -0.00 0.00 0.00 57.85 58.45 3df4 n ARG 69 Cb 0.96 -1.09 0.76 0.00 0.00 0.00 0.00 32.46 33.09 3df4 n ARG 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 3df4 h GLN 70 N 0.00 0.00 0.00 -0.14 -0.00 -1.37 -2.76 115.11 110.84 3df4 h GLN 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3df4 h GLN 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3df4 h GLN 70 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 178.83 177.12 3df4 n ASN 71 N -3.67 0.00 0.00 0.06 5.15 -0.44 -4.93 115.26 111.43 3df4 n ASN 71 Ca 0.06 0.72 0.00 0.00 -0.60 0.00 0.00 54.58 54.76 3df4 n ASN 71 Cb 0.56 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.59 3df4 n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3df4 n GLY 72 N -0.73 0.00 3.42 8.20 0.00 0.56 -5.07 105.19 111.58 3df4 n GLY 72 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3df4 n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3df4 s ILE 73 N 0.00 -0.01 0.59 -0.61 1.10 -0.14 -5.04 121.20 117.10 3df4 s ILE 73 Ca 0.00 0.02 -0.13 0.00 -0.51 0.00 0.00 60.65 60.03 3df4 s ILE 73 Cb 0.00 -0.74 -0.05 0.00 0.15 0.00 0.00 42.46 41.82 3df4 s ILE 73 CO 0.00 0.01 1.02 -0.94 -2.11 0.00 0.00 174.94 172.92 3df4 s SER 74 N 0.68 6.27 0.01 4.50 1.04 -1.26 -2.71 113.70 122.23 3df4 s SER 74 Ca -0.03 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 3df4 s SER 74 Cb -0.05 -2.48 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 3df4 s SER 74 CO -0.05 -0.84 1.07 0.22 0.98 0.00 0.00 173.24 174.63 3df4 h TYR 75 N 0.03 -0.18 -0.71 5.02 3.20 -1.92 0.94 116.97 123.34 3df4 h TYR 75 Ca -0.45 0.00 0.22 0.00 3.14 0.00 0.00 58.73 61.65 3df4 h TYR 75 Cb 1.19 0.07 -0.13 0.00 1.54 0.00 0.00 36.73 39.40 3df4 h TYR 75 CO 0.65 -0.08 0.12 0.43 -1.64 0.00 0.00 178.16 177.64 3df4 n SER 76 N -2.74 0.01 0.03 -2.11 7.64 -1.26 0.41 113.62 115.59 3df4 n SER 76 Ca -0.01 1.20 -0.21 0.00 1.01 0.00 0.00 58.87 60.86 3df4 n SER 76 Cb 0.05 -0.48 -0.14 0.00 -1.01 0.00 0.00 64.21 62.63 3df4 n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3df4 h LYS 77 N 0.00 0.26 0.21 1.43 1.57 -1.81 -2.93 116.57 115.30 3df4 h LYS 77 Ca 0.48 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3df4 h LYS 77 Cb 1.09 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 3df4 h LYS 77 CO -0.63 1.22 -0.24 0.35 -0.57 0.00 0.00 179.45 179.57 3df4 h PHE 78 N -0.37 -0.67 -0.96 -1.35 -0.00 0.59 -1.29 116.94 112.88 3df4 h PHE 78 Ca -0.21 0.01 0.22 0.00 -0.00 0.00 0.00 57.97 57.99 3df4 h PHE 78 Cb 1.67 0.27 -0.08 0.00 -0.00 0.00 0.00 35.95 37.81 3df4 h PHE 78 CO 0.17 -0.31 0.62 0.97 -0.00 0.00 0.00 178.31 179.76 3df4 h ILE 79 N -0.46 0.64 -4.17 1.41 -0.00 -0.76 -3.29 117.51 110.89 3df4 h ILE 79 Ca -0.03 -0.16 -0.51 0.00 -0.00 0.00 0.00 64.86 64.17 3df4 h ILE 79 Cb 0.41 0.14 0.10 0.00 -0.00 0.00 0.00 36.82 37.46 3df4 h ILE 79 CO -0.05 0.08 0.39 0.21 -0.00 0.00 0.00 178.15 178.79 3df4 s ASN 80 N -5.50 5.18 0.00 2.19 3.04 -0.49 -2.48 114.94 116.89 3df4 s ASN 80 Ca -0.09 2.07 0.00 0.00 0.04 0.00 0.00 52.86 54.88 3df4 s ASN 80 Cb 0.24 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 3df4 s ASN 80 CO 0.79 -1.59 0.00 0.61 -3.04 0.00 0.00 177.10 173.88 3df4 n GLY 81 N -0.30 1.71 0.49 1.21 0.00 -1.26 -4.69 105.19 102.34 3df4 n GLY 81 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 3df4 n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3df4 h LEU 82 N 0.00 -1.04 -1.07 0.99 3.38 -1.55 1.44 115.31 117.46 3df4 h LEU 82 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3df4 h LEU 82 Cb 0.00 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3df4 h LEU 82 CO 0.00 -0.71 -0.01 0.50 0.09 0.00 0.00 178.44 178.31 3df4 h LYS 83 N -1.30 0.00 0.01 1.13 3.64 -1.61 -2.40 116.57 116.04 3df4 h LYS 83 Ca -0.13 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.06 3df4 h LYS 83 Cb 0.94 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 3df4 h LYS 83 CO 0.21 0.01 -0.90 -0.22 -2.27 0.00 0.00 179.45 176.27 3df4 h LYS 84 N 0.00 0.08 -6.07 1.90 3.64 -1.69 -2.93 116.57 111.49 3df4 h LYS 84 Ca -0.00 -0.10 -0.58 0.00 -1.27 0.00 0.00 60.65 58.71 3df4 h LYS 84 Cb 0.65 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.40 3df4 h LYS 84 CO 0.00 0.92 0.82 0.00 -2.27 0.00 0.00 179.45 178.92 3df4 s ALA 85 N -3.04 2.97 -1.39 5.00 0.00 0.49 -4.30 121.76 121.50 3df4 s ALA 85 Ca -0.01 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.46 3df4 s ALA 85 Cb 0.10 -4.01 0.13 0.00 0.00 0.00 0.00 23.12 19.34 3df4 s ALA 85 CO 0.82 -2.87 0.31 0.43 0.00 0.00 0.00 175.76 174.45 3df4 n SER 86 N 8.40 -0.71 0.00 0.00 7.64 -1.26 -4.09 113.62 123.60 3df4 n SER 86 Ca 0.02 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3df4 n SER 86 Cb 0.48 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3df4 n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3df4 n VAL 87 N -3.45 0.00 -1.89 0.44 0.31 -1.11 -4.95 118.33 107.67 3df4 n VAL 87 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3df4 n VAL 87 Cb 0.42 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3df4 n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3df4 n GLU 88 N 0.00 -4.66 0.00 5.55 0.00 -1.26 -3.38 120.64 116.89 3df4 n GLU 88 Ca 0.00 3.40 0.00 0.00 0.00 0.00 0.00 57.16 60.56 3df4 n GLU 88 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 31.44 27.73 3df4 n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 3df4 n ILE 89 N 1.60 0.00 -0.51 6.31 2.08 -1.26 -4.41 119.36 123.17 3df4 n ILE 89 Ca 0.00 0.27 0.00 0.00 0.56 0.00 0.00 62.75 63.58 3df4 n ILE 89 Cb 0.00 -1.19 0.00 0.00 -0.75 0.00 0.00 39.64 37.70 3df4 n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3df4 n ASP 90 N -1.91 0.00 -0.60 4.38 9.92 -1.26 -4.76 116.55 122.32 3df4 n ASP 90 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 3df4 n ASP 90 Cb 0.00 -2.38 -0.01 0.00 -0.64 0.00 0.00 41.12 38.09 3df4 n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3df4 n ARG 91 N -2.00 -0.72 -0.10 -1.24 0.63 -1.26 -3.01 116.66 108.97 3df4 n ARG 91 Ca 0.00 0.47 -0.10 0.00 -0.92 0.00 0.00 57.85 57.31 3df4 n ARG 91 Cb 0.00 -0.87 -0.15 0.00 0.45 0.00 0.00 32.46 31.88 3df4 n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3df4 n LYS 92 N -1.66 0.82 -0.05 -0.14 5.02 -1.26 -3.81 118.16 117.09 3df4 n LYS 92 Ca 0.00 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 3df4 n LYS 92 Cb 0.16 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 3df4 n LYS 92 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3df4 h ILE 93 N 0.00 1.62 0.00 -0.18 2.10 -1.97 -2.99 117.51 116.10 3df4 h ILE 93 Ca -0.53 -1.84 0.00 0.00 1.08 0.00 0.00 64.86 63.57 3df4 h ILE 93 Cb 2.19 2.87 0.00 0.00 -1.09 0.00 0.00 36.82 40.80 3df4 h ILE 93 CO 0.03 0.48 0.05 -0.07 -1.08 0.00 0.00 178.15 177.55 3df4 h LEU 94 N -0.77 0.00 -0.11 2.19 -0.00 -1.78 0.22 115.31 115.06 3df4 h LEU 94 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3df4 h LEU 94 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 3df4 h LEU 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.44 3df4 n ALA 95 N -2.04 1.91 0.40 1.53 0.00 -1.13 -2.46 120.51 118.73 3df4 n ALA 95 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.51 3df4 n ALA 95 Cb 0.11 -1.00 0.42 0.00 0.00 0.00 0.00 19.45 18.98 3df4 n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df4 n ASP 96 N -0.42 0.41 0.00 0.00 5.68 0.78 -1.96 116.55 121.04 3df4 n ASP 96 Ca 0.00 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 3df4 n ASP 96 Cb 0.01 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.30 3df4 n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3df4 n ILE 97 N -1.96 1.19 0.14 2.12 -5.35 -1.03 0.13 119.36 114.61 3df4 n ILE 97 Ca 0.02 0.31 0.04 0.00 -0.27 0.00 0.00 62.75 62.85 3df4 n ILE 97 Cb 0.19 -1.31 0.03 0.00 -1.74 0.00 0.00 39.64 36.82 3df4 n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3df4 h ALA 98 N 1.94 0.71 -0.67 -1.28 0.00 -1.66 -3.35 119.26 114.94 3df4 h ALA 98 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3df4 h ALA 98 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3df4 h ALA 98 CO 0.00 0.56 0.00 0.28 0.00 0.00 0.00 179.25 180.09 3df4 n VAL 99 N -3.19 0.00 -2.96 0.00 0.31 0.35 -4.60 118.33 108.24 3df4 n VAL 99 Ca 0.02 0.39 -0.33 0.00 -0.01 0.00 0.00 64.34 64.40 3df4 n VAL 99 Cb 0.72 -1.24 -0.07 0.00 -0.91 0.00 0.00 33.84 32.34 3df4 n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3df4 s PHE 100 N -0.78 3.39 -1.11 3.52 2.99 -1.03 -3.97 117.98 120.99 3df4 s PHE 100 Ca 0.00 1.46 -0.07 0.00 0.00 0.00 0.00 56.93 58.32 3df4 s PHE 100 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 43.02 40.26 3df4 s PHE 100 CO 0.00 0.03 0.90 -3.47 -0.00 0.00 0.00 175.22 172.67 3df4 n ASP 101 N -0.34 -5.25 -0.19 1.36 4.64 -1.26 -4.29 116.55 111.22 3df4 n ASP 101 Ca 0.05 -0.75 0.19 0.00 -1.38 0.00 0.00 54.79 52.90 3df4 n ASP 101 Cb 0.53 -4.82 0.55 0.00 -1.04 0.00 0.00 41.12 36.34 3df4 n ASP 101 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3df4 h LYS 102 N -1.41 0.31 -0.64 -0.67 1.57 -1.69 0.25 116.57 114.29 3df4 h LYS 102 Ca -0.62 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.23 3df4 h LYS 102 Cb 1.33 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 3df4 h LYS 102 CO 0.47 0.21 0.29 0.28 -0.57 0.00 0.00 179.45 180.12 3df4 h VAL 103 N 0.32 0.82 -3.26 0.50 2.07 -1.88 -3.34 116.25 111.48 3df4 h VAL 103 Ca 0.42 -0.17 -0.42 0.00 0.82 0.00 0.00 66.70 67.35 3df4 h VAL 103 Cb 1.14 0.28 0.21 0.00 -1.52 0.00 0.00 31.29 31.39 3df4 h VAL 103 CO -0.12 0.09 -0.00 0.00 0.02 0.00 0.00 177.57 177.56 3df4 s ALA 104 N -6.08 -0.37 0.00 1.67 0.00 0.88 -3.06 121.76 114.81 3df4 s ALA 104 Ca -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3df4 s ALA 104 Cb 0.17 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3df4 s ALA 104 CO 0.75 -3.98 0.00 0.34 0.00 0.00 0.00 175.76 172.87 3df4 n PHE 105 N -5.07 0.00 -0.28 0.00 -0.00 -1.26 -4.38 117.46 106.47 3df4 n PHE 105 Ca 0.07 0.00 0.25 0.00 -0.00 0.00 0.00 57.45 57.77 3df4 n PHE 105 Cb 0.57 0.00 0.60 0.00 -0.00 0.00 0.00 39.48 40.65 3df4 n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 3df4 h THR 106 N 0.00 0.54 0.20 -2.13 2.02 -1.66 0.26 112.91 112.14 3df4 h THR 106 Ca 0.00 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3df4 h THR 106 Cb 0.00 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 3df4 h THR 106 CO 0.00 0.05 -0.09 0.00 0.37 0.00 0.00 175.52 175.84 3df4 h ALA 107 N 1.56 -0.27 -0.96 6.16 0.00 -1.77 -2.89 119.26 121.10 3df4 h ALA 107 Ca 0.53 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 55.49 3df4 h ALA 107 Cb 1.62 0.10 -0.14 0.00 0.00 0.00 0.00 17.79 19.38 3df4 h ALA 107 CO -0.16 -0.39 0.50 -0.07 0.00 0.00 0.00 179.25 179.13 3df4 h LEU 108 N -0.79 0.46 0.09 0.00 4.07 -0.98 0.28 115.31 118.44 3df4 h LEU 108 Ca -0.03 0.17 0.02 0.00 0.08 0.00 0.00 57.88 58.12 3df4 h LEU 108 Cb 0.51 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.33 3df4 h LEU 108 CO 0.04 -0.04 -0.47 0.58 -1.08 0.00 0.00 178.44 177.48 3df4 h VAL 109 N 0.40 0.09 0.05 1.22 2.07 -0.61 0.82 116.25 120.29 3df4 h VAL 109 Ca 0.65 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.19 3df4 h VAL 109 Cb 1.33 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 3df4 h VAL 109 CO -0.56 0.00 -0.31 -0.08 0.02 0.00 0.00 177.57 176.64 3df4 h GLU 110 N -0.68 -0.47 -0.98 1.57 4.57 -0.35 0.68 114.58 118.92 3df4 h GLU 110 Ca 0.02 0.03 0.24 0.00 -1.18 0.00 0.00 59.36 58.47 3df4 h GLU 110 Cb 0.71 0.11 -0.18 0.00 -0.16 0.00 0.00 28.75 29.22 3df4 h GLU 110 CO -0.28 -0.32 -0.07 -0.22 -1.18 0.00 0.00 179.01 176.94 3df4 h LYS 111 N -0.49 0.01 0.37 1.92 1.63 -0.34 -0.35 116.57 119.32 3df4 h LYS 111 Ca 0.05 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3df4 h LYS 111 Cb 0.55 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3df4 h LYS 111 CO -0.23 0.00 -0.18 0.00 -3.45 0.00 0.00 179.45 175.60 3df4 h ALA 112 N 1.98 -0.57 -0.65 5.00 0.00 0.50 -2.21 119.26 123.31 3df4 h ALA 112 Ca 0.55 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.44 3df4 h ALA 112 Cb 1.04 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.93 3df4 h ALA 112 CO -0.95 -0.53 -0.30 1.63 0.00 0.00 0.00 179.25 179.10 3df4 n LYS 113 N -4.70 -0.20 -0.01 0.00 5.02 0.23 0.84 118.16 119.33 3df4 n LYS 113 Ca -0.06 1.00 -0.12 0.00 -2.02 0.00 0.00 58.31 57.10 3df4 n LYS 113 Cb 0.20 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.66 3df4 n LYS 113 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df4 h ALA 114 N 0.72 0.08 -0.88 7.82 0.00 -1.23 0.18 119.26 125.95 3df4 h ALA 114 Ca 0.19 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.15 3df4 h ALA 114 Cb 0.35 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 3df4 h ALA 114 CO -0.64 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 178.73 3df4 h ALA 115 N 0.75 1.38 0.00 0.00 0.00 0.11 0.38 119.26 121.88 3df4 h ALA 115 Ca 0.02 0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3df4 h ALA 115 Cb 0.30 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3df4 h ALA 115 CO 0.00 -0.31 -0.89 -0.07 0.00 0.00 0.00 179.25 177.98 3df4 h LEU 116 N 0.41 0.00 0.00 0.00 4.07 -0.24 -3.48 115.31 116.07 3df4 h LEU 116 Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.50 3df4 h LEU 116 Cb 0.99 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3df4 h LEU 116 CO -0.51 0.89 0.00 0.00 -1.08 0.00 0.00 178.44 177.74