#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 h ASN 2 N 0.00 -0.43 -0.66 6.43 -1.24 -2.07 -3.12 115.58 114.49 3df4 h ASN 2 Ca 0.00 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 56.95 3df4 h ASN 2 Cb 0.00 0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.14 3df4 h ASN 2 CO 0.00 -0.27 0.11 -0.29 -1.29 0.00 0.00 177.43 175.69 3df4 h ILE 3 N -0.59 1.26 -1.29 2.57 -0.00 -2.08 -3.41 117.51 113.97 3df4 h ILE 3 Ca -0.05 -1.03 0.00 0.00 -0.00 0.00 0.00 64.86 63.77 3df4 h ILE 3 Cb 0.39 0.63 0.00 0.00 -0.00 0.00 0.00 36.82 37.84 3df4 h ILE 3 CO 0.09 0.39 0.00 -0.38 -0.00 0.00 0.00 178.15 178.24 3df4 n ILE 4 N -4.21 0.00 0.00 2.19 5.41 -1.18 -3.47 119.36 118.10 3df4 n ILE 4 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 3df4 n ILE 4 Cb 0.29 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 3df4 n ILE 4 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3df4 n LYS 5 N -1.09 0.00 -0.07 0.38 4.76 -1.20 -4.40 118.16 116.54 3df4 n LYS 5 Ca 0.00 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.29 3df4 n LYS 5 Cb 0.00 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.60 3df4 n LYS 5 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3df4 h GLN 6 N 0.02 0.01 0.00 1.97 -0.00 -1.78 0.39 115.11 115.73 3df4 h GLN 6 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 3df4 h GLN 6 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 27.48 27.49 3df4 h GLN 6 CO 0.00 1.01 0.00 -0.07 0.00 0.00 0.00 178.83 179.77 3df4 h LEU 7 N -0.97 0.00 0.10 -2.39 4.07 -1.77 0.59 115.31 114.94 3df4 h LEU 7 Ca -0.02 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.61 3df4 h LEU 7 Cb 1.04 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.76 3df4 h LEU 7 CO -0.00 0.00 -1.78 -0.33 -1.08 0.00 0.00 178.44 175.25 3df4 h GLU 8 N 0.00 0.22 0.10 1.13 5.08 -1.86 -3.32 114.58 115.93 3df4 h GLU 8 Ca 0.00 -0.37 -0.28 0.00 -1.00 0.00 0.00 59.36 57.71 3df4 h GLU 8 Cb 0.37 0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.77 3df4 h GLU 8 CO 0.00 1.04 -1.18 -0.56 -1.00 0.00 0.00 179.01 177.31 3df4 h GLN 9 N 0.06 0.46 -1.09 2.33 3.07 0.54 -3.18 115.11 117.30 3df4 h GLN 9 Ca -0.33 -0.63 -0.11 0.00 0.09 0.00 0.00 58.65 57.67 3df4 h GLN 9 Cb 2.03 0.21 -0.06 0.00 0.08 0.00 0.00 27.48 29.74 3df4 h GLN 9 CO 0.12 1.26 0.14 -0.85 0.09 0.00 0.00 178.83 179.59 3df4 n GLU 10 N -3.70 1.26 -1.08 0.06 0.28 0.20 -3.29 120.64 114.37 3df4 n GLU 10 Ca -0.11 -0.61 -0.05 0.00 -0.16 0.00 0.00 57.16 56.24 3df4 n GLU 10 Cb 0.97 -1.24 -0.05 0.00 1.43 0.00 0.00 31.44 32.55 3df4 n GLU 10 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3df4 n GLN 11 N 0.27 0.00 -4.69 3.44 7.27 -1.20 -4.95 117.38 117.52 3df4 n GLN 11 Ca 0.12 -1.16 -0.27 0.00 0.07 0.00 0.00 57.00 55.76 3df4 n GLN 11 Cb 0.71 0.41 -0.14 0.00 2.41 0.00 0.00 30.24 33.63 3df4 n GLN 11 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 3df4 s MET 12 N 0.00 1.48 -0.36 3.69 -1.94 -1.21 -4.99 119.30 115.97 3df4 s MET 12 Ca 0.06 -1.00 -0.22 0.00 -1.71 0.00 0.00 55.69 52.82 3df4 s MET 12 Cb 0.06 -1.62 0.01 0.00 2.01 0.00 0.00 34.83 35.29 3df4 s MET 12 CO -0.03 0.41 0.70 -1.59 -0.01 0.00 0.00 175.02 174.50 3df4 s LYS 13 N -1.23 3.70 -0.07 2.03 -2.85 -1.26 -4.92 119.74 115.13 3df4 s LYS 13 Ca 0.09 0.14 0.06 0.00 -1.00 0.00 0.00 55.97 55.26 3df4 s LYS 13 Cb -0.09 -3.81 0.29 0.00 -2.06 0.00 0.00 37.83 32.15 3df4 s LYS 13 CO 0.02 -0.79 1.00 1.04 0.10 0.00 0.00 175.35 176.72 3df4 n GLN 14 N 6.20 2.27 0.01 1.78 6.02 -1.26 -3.64 117.38 128.76 3df4 n GLN 14 Ca 0.00 -1.11 0.11 0.00 -0.01 0.00 0.00 57.00 56.00 3df4 n GLN 14 Cb 0.48 -1.67 0.05 0.00 1.02 0.00 0.00 30.24 30.12 3df4 n GLN 14 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3df4 n ASP 15 N 0.24 0.66 -4.65 1.08 5.68 -1.26 -4.92 116.55 113.38 3df4 n ASP 15 Ca 0.10 -0.40 -0.43 0.00 -0.50 0.00 0.00 54.79 53.56 3df4 n ASP 15 Cb 0.52 0.71 -0.03 0.00 -1.14 0.00 0.00 41.12 41.18 3df4 n ASP 15 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3df4 n VAL 16 N -1.73 0.70 -1.66 2.12 0.24 -1.24 -4.98 118.33 111.79 3df4 n VAL 16 Ca 0.03 -0.19 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 3df4 n VAL 16 Cb 0.39 -2.34 0.21 0.00 -1.47 0.00 0.00 33.84 30.62 3df4 n VAL 16 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3df4 s PRO 17 N 4.75 -0.09 0.87 7.34 0.04 -1.26 -5.02 135.00 141.64 3df4 s PRO 17 Ca 0.91 -0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.48 3df4 s PRO 17 Cb -0.43 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 32.41 3df4 s PRO 17 CO 0.41 -2.91 0.74 0.45 0.04 0.00 0.00 177.00 175.74 3df4 n SER 18 N -4.13 -0.79 -0.26 6.66 2.88 -1.26 -5.04 113.62 111.69 3df4 n SER 18 Ca 0.15 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 3df4 n SER 18 Cb 0.59 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 3df4 n SER 18 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3df4 n PHE 19 N -3.43 0.00 0.00 0.66 0.99 -1.26 -4.98 117.46 109.44 3df4 n PHE 19 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.55 3df4 n PHE 19 Cb 0.52 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.00 3df4 n PHE 19 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 3df4 n ARG 20 N 0.00 0.00 0.00 -1.08 3.00 -1.26 -4.94 116.66 112.38 3df4 n ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3df4 n ARG 20 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 3df4 n ARG 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3df4 n PRO 21 N -0.75 0.40 0.00 -0.14 -0.04 -1.26 -2.16 135.00 131.05 3df4 n PRO 21 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3df4 n PRO 21 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 3df4 n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3df4 n GLY 22 N 0.34 0.00 3.25 0.55 0.00 -1.23 -4.24 105.19 103.86 3df4 n GLY 22 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3df4 n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df4 n ASP 23 N -0.79 -2.69 -0.09 1.61 10.43 -0.92 -3.81 116.55 120.29 3df4 n ASP 23 Ca 0.00 -0.32 -0.18 0.00 2.57 0.00 0.00 54.79 56.86 3df4 n ASP 23 Cb 0.07 -0.98 -0.06 0.00 1.84 0.00 0.00 41.12 41.99 3df4 n ASP 23 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 3df4 n THR 24 N -4.80 1.32 -1.28 -3.53 -1.04 0.60 -2.87 114.28 102.69 3df4 n THR 24 Ca 0.04 -0.12 0.10 0.00 -2.04 0.00 0.00 64.05 62.02 3df4 n THR 24 Cb 0.55 -1.96 -0.05 0.00 -1.82 0.00 0.00 70.33 67.05 3df4 n THR 24 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3df4 n VAL 25 N -4.11 -1.11 -3.48 12.58 0.24 0.17 -3.78 118.33 118.84 3df4 n VAL 25 Ca -0.32 0.82 -0.29 0.00 -2.04 0.00 0.00 64.34 62.51 3df4 n VAL 25 Cb 0.67 -1.28 -0.12 0.00 -1.47 0.00 0.00 33.84 31.64 3df4 n VAL 25 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3df4 s GLU 26 N -4.68 0.70 0.29 7.34 2.12 -1.26 -3.66 118.70 119.54 3df4 s GLU 26 Ca 0.00 -1.55 -0.29 0.00 0.36 0.00 0.00 54.97 53.49 3df4 s GLU 26 Cb 0.00 -1.44 -0.10 0.00 0.26 0.00 0.00 34.13 32.85 3df4 s GLU 26 CO 0.00 -1.24 1.30 0.08 -0.54 0.00 0.00 175.26 174.86 3df4 s VAL 27 N 0.81 2.91 -0.26 3.70 1.01 -1.06 -1.89 120.40 125.62 3df4 s VAL 27 Ca 0.21 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.06 3df4 s VAL 27 Cb -0.18 -3.55 0.07 0.00 0.00 0.00 0.00 36.38 32.72 3df4 s VAL 27 CO -0.03 0.18 -0.03 -0.54 0.00 0.00 0.00 175.10 174.68 3df4 s LYS 28 N -1.24 1.61 0.20 2.72 1.02 -1.07 0.75 119.74 123.74 3df4 s LYS 28 Ca 0.51 -1.18 0.10 0.00 0.02 0.00 0.00 55.97 55.43 3df4 s LYS 28 Cb -0.38 -2.67 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3df4 s LYS 28 CO 0.47 -0.68 -0.16 0.14 -0.92 0.00 0.00 175.35 174.21 3df4 s VAL 29 N 1.30 2.82 0.58 3.17 -7.23 0.13 -3.36 120.40 117.83 3df4 s VAL 29 Ca -0.03 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.09 3df4 s VAL 29 Cb -0.19 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.32 3df4 s VAL 29 CO -0.08 -0.15 1.12 0.26 -0.31 0.00 0.00 175.10 175.94 3df4 s TRP 30 N -1.78 2.66 -0.02 2.82 0.51 -0.82 0.11 118.94 122.42 3df4 s TRP 30 Ca 0.24 1.55 0.02 0.00 -2.12 0.00 0.00 56.10 55.78 3df4 s TRP 30 Cb -0.08 -3.24 -0.03 0.00 -0.81 0.00 0.00 33.47 29.31 3df4 s TRP 30 CO 0.13 -1.60 0.00 1.55 -0.51 0.00 0.00 176.95 176.52 3df4 n VAL 31 N -1.71 0.16 0.00 4.03 3.14 0.04 -4.73 118.33 119.26 3df4 n VAL 31 Ca 0.11 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3df4 n VAL 31 Cb 0.51 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 32.43 3df4 n VAL 31 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 3df4 n VAL 32 N -2.20 0.00 -0.70 1.55 3.14 -1.25 -4.92 118.33 113.95 3df4 n VAL 32 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 3df4 n VAL 32 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 3df4 n VAL 32 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 3df4 n GLU 33 N -0.56 0.00 -0.04 1.45 4.07 -1.26 -1.88 120.64 122.42 3df4 n GLU 33 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 3df4 n GLU 33 Cb 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3df4 n GLU 33 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 3df4 h GLY 34 N 0.00 0.00 -4.99 8.31 0.00 -2.04 -3.43 103.07 100.92 3df4 h GLY 34 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 3df4 h GLY 34 CO 0.00 0.00 -1.08 1.44 0.00 0.00 0.00 176.54 176.90 3df4 n SER 35 N -3.95 2.18 -2.82 0.19 7.64 -1.25 -5.09 113.62 110.51 3df4 n SER 35 Ca -0.02 -2.65 -0.15 0.00 1.01 0.00 0.00 58.87 57.06 3df4 n SER 35 Cb 0.07 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 3df4 n SER 35 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3df4 n LYS 36 N -0.38 0.46 -0.17 1.43 4.76 -0.79 -5.06 118.16 118.41 3df4 n LYS 36 Ca 0.15 -2.38 0.03 0.00 -2.87 0.00 0.00 58.31 53.24 3df4 n LYS 36 Cb 0.81 1.66 0.04 0.00 -1.84 0.00 0.00 35.03 35.70 3df4 n LYS 36 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3df4 n LYS 37 N -0.53 1.01 -1.21 1.97 2.85 -1.26 -3.98 118.16 117.01 3df4 n LYS 37 Ca 0.01 -1.52 -0.40 0.00 -1.05 0.00 0.00 58.31 55.36 3df4 n LYS 37 Cb 0.43 -0.92 -0.01 0.00 -0.65 0.00 0.00 35.03 33.87 3df4 n LYS 37 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3df4 n ARG 38 N -0.56 0.00 -3.74 -1.58 1.74 -1.26 -4.49 116.66 106.76 3df4 n ARG 38 Ca 0.05 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 3df4 n ARG 38 Cb 0.55 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 30.97 3df4 n ARG 38 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3df4 s LEU 39 N 3.41 3.88 -0.01 0.55 1.02 -1.26 -0.78 118.68 125.48 3df4 s LEU 39 Ca 0.55 -0.67 -0.22 0.00 0.02 0.00 0.00 54.13 53.81 3df4 s LEU 39 Cb -0.68 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 43.58 3df4 s LEU 39 CO 0.54 -0.19 0.64 -1.10 0.02 0.00 0.00 176.35 176.26 3df4 s GLN 40 N 1.52 4.37 0.62 1.70 -0.21 0.31 -4.83 119.66 123.14 3df4 s GLN 40 Ca 0.03 0.81 -0.01 0.00 0.02 0.00 0.00 55.36 56.21 3df4 s GLN 40 Cb -0.17 -3.37 0.06 0.00 1.00 0.00 0.00 33.01 30.53 3df4 s GLN 40 CO 0.03 0.29 0.87 0.00 -2.12 0.00 0.00 175.29 174.35 3df4 s ALA 41 N 0.06 3.71 -0.40 6.09 0.00 -1.26 0.21 121.76 130.16 3df4 s ALA 41 Ca 0.33 -1.33 0.07 0.00 0.00 0.00 0.00 51.96 51.03 3df4 s ALA 41 Cb -0.18 -2.17 0.18 0.00 0.00 0.00 0.00 23.12 20.94 3df4 s ALA 41 CO 0.18 -1.01 0.58 0.12 0.00 0.00 0.00 175.76 175.63 3df4 s PHE 42 N -2.94 -1.48 -1.05 0.00 2.19 0.23 -4.89 117.98 110.04 3df4 s PHE 42 Ca 0.60 0.06 -0.07 0.00 0.33 0.00 0.00 56.93 57.85 3df4 s PHE 42 Cb -0.09 0.19 -0.06 0.00 -1.31 0.00 0.00 43.02 41.75 3df4 s PHE 42 CO 0.41 -1.14 2.26 0.39 1.83 0.00 0.00 175.22 178.96 3df4 n GLU 43 N 4.39 2.37 0.00 10.12 -0.58 -1.26 -2.55 120.64 133.12 3df4 n GLU 43 Ca 0.11 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.23 3df4 n GLU 43 Cb 0.55 -2.54 0.00 0.00 -0.57 0.00 0.00 31.44 28.88 3df4 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df4 n GLY 44 N 3.76 -1.05 2.66 0.62 0.00 -1.24 -4.75 105.19 105.20 3df4 n GLY 44 Ca 0.51 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 3df4 n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df4 s VAL 45 N -0.65 -0.21 -0.14 1.61 1.01 -0.52 -4.42 120.40 117.08 3df4 s VAL 45 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 61.98 61.28 3df4 s VAL 45 Cb 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 36.38 35.48 3df4 s VAL 45 CO 0.00 -0.39 1.77 0.52 0.00 0.00 0.00 175.10 177.00 3df4 n VAL 46 N 5.29 0.39 0.00 2.92 0.31 -1.14 -2.90 118.33 123.20 3df4 n VAL 46 Ca -0.06 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 3df4 n VAL 46 Cb 0.47 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 3df4 n VAL 46 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3df4 n ILE 47 N 4.64 0.00 -4.43 2.52 -5.35 -1.11 -3.48 119.36 112.15 3df4 n ILE 47 Ca 0.24 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.53 3df4 n ILE 47 Cb 0.22 -0.81 -0.04 0.00 -1.74 0.00 0.00 39.64 37.27 3df4 n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3df4 n ALA 48 N -1.78 0.27 -3.50 -1.28 0.00 -1.24 0.45 120.51 113.42 3df4 n ALA 48 Ca 0.00 -1.35 -0.16 0.00 0.00 0.00 0.00 53.44 51.93 3df4 n ALA 48 Cb 0.41 0.76 -0.05 0.00 0.00 0.00 0.00 19.45 20.58 3df4 n ALA 48 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3df4 s ILE 49 N -2.15 0.00 0.00 0.00 2.07 -1.26 -4.75 121.20 115.12 3df4 s ILE 49 Ca 0.02 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3df4 s ILE 49 Cb 0.00 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.59 3df4 s ILE 49 CO 0.01 0.00 0.00 -2.11 -1.91 0.00 0.00 174.94 170.93 3df4 n ARG 50 N 0.61 0.00 -2.45 3.50 1.85 -0.06 -4.76 116.66 115.36 3df4 n ARG 50 Ca -0.18 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.60 3df4 n ARG 50 Cb 0.59 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.03 3df4 n ARG 50 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3df4 n ASN 51 N 0.00 -3.22 -2.70 2.89 3.02 -1.26 -4.79 115.26 109.20 3df4 n ASN 51 Ca 0.00 -0.30 -0.06 0.00 -0.03 0.00 0.00 54.58 54.19 3df4 n ASN 51 Cb 0.00 -2.62 0.09 0.00 -0.61 0.00 0.00 39.78 36.63 3df4 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3df4 n ARG 52 N -2.34 1.28 0.00 3.52 5.12 -1.20 -5.09 116.66 117.94 3df4 n ARG 52 Ca -0.07 -2.29 0.00 0.00 -1.93 0.00 0.00 57.85 53.55 3df4 n ARG 52 Cb 0.56 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.40 3df4 n ARG 52 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3df4 n GLY 53 N -0.63 2.24 0.29 -0.13 0.00 -1.26 -2.19 105.19 103.52 3df4 n GLY 53 Ca -0.01 -0.43 0.10 0.00 0.00 0.00 0.00 46.02 45.67 3df4 n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3df4 h LEU 54 N 0.00 0.02 -9.17 0.99 5.85 -1.95 -3.36 115.31 107.69 3df4 h LEU 54 Ca 0.00 0.17 -0.56 0.00 0.84 0.00 0.00 57.88 58.33 3df4 h LEU 54 Cb 0.00 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3df4 h LEU 54 CO 0.00 -0.09 1.00 -1.00 -0.34 0.00 0.00 178.44 178.01 3df4 s HIS 55 N -5.98 2.44 0.02 1.25 0.09 -0.93 -4.30 115.29 107.87 3df4 s HIS 55 Ca -0.12 0.65 -0.16 0.00 -0.00 0.00 0.00 55.06 55.43 3df4 s HIS 55 Cb 0.24 -3.73 0.03 0.00 -0.00 0.00 0.00 32.58 29.11 3df4 s HIS 55 CO 0.77 -2.63 0.35 -1.12 -0.00 0.00 0.00 174.74 172.10 3df4 s SER 56 N 2.78 -0.20 0.16 1.40 0.01 -1.26 -3.27 113.70 113.31 3df4 s SER 56 Ca 0.63 -0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.87 3df4 s SER 56 Cb -0.26 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 3df4 s SER 56 CO 0.22 -0.58 0.02 0.00 0.41 0.00 0.00 173.24 173.31 3df4 s ALA 57 N -2.12 1.18 0.06 1.44 0.00 -1.20 -2.90 121.76 118.22 3df4 s ALA 57 Ca -0.08 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.34 3df4 s ALA 57 Cb -0.02 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.74 3df4 s ALA 57 CO -0.00 -0.37 0.00 1.19 0.00 0.00 0.00 175.76 176.57 3df4 n PHE 58 N -0.19 -0.03 -2.03 0.00 0.99 -0.91 -0.88 117.46 114.42 3df4 n PHE 58 Ca -0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 57.45 57.38 3df4 n PHE 58 Cb 0.63 0.01 -0.01 0.00 -1.00 0.00 0.00 39.48 39.11 3df4 n PHE 58 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3df4 n THR 59 N -3.10 -9.71 -3.72 4.37 -1.04 -0.21 -3.68 114.28 97.20 3df4 n THR 59 Ca 0.00 2.04 -0.17 0.00 -2.04 0.00 0.00 64.05 63.88 3df4 n THR 59 Cb 0.00 -5.27 -0.17 0.00 -1.82 0.00 0.00 70.33 63.07 3df4 n THR 59 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3df4 s VAL 60 N -0.42 -0.08 0.25 12.58 -7.23 -1.11 -2.74 120.40 121.66 3df4 s VAL 60 Ca -0.07 0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 60.12 3df4 s VAL 60 Cb 0.00 -0.12 -0.09 0.00 0.56 0.00 0.00 36.38 36.73 3df4 s VAL 60 CO 0.20 0.14 1.06 -0.13 -0.31 0.00 0.00 175.10 176.05 3df4 s ARG 61 N 1.61 4.69 0.00 4.82 1.81 -1.14 -3.48 118.95 127.25 3df4 s ARG 61 Ca -0.02 1.71 0.00 0.00 -1.72 0.00 0.00 55.73 55.70 3df4 s ARG 61 Cb -0.13 -3.23 0.00 0.00 -0.45 0.00 0.00 34.95 31.15 3df4 s ARG 61 CO -0.03 0.26 0.00 1.17 -0.68 0.00 0.00 175.30 176.02 3df4 n LYS 62 N 1.48 0.00 -2.19 3.54 4.81 -1.00 -1.44 118.16 123.36 3df4 n LYS 62 Ca -0.01 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3df4 n LYS 62 Cb 0.46 -0.46 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3df4 n LYS 62 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 3df4 n ILE 63 N -2.83 -6.46 0.00 3.15 5.41 -1.26 -4.94 119.36 112.43 3df4 n ILE 63 Ca 0.00 0.38 0.00 0.00 1.00 0.00 0.00 62.75 64.13 3df4 n ILE 63 Cb 0.40 -5.61 0.00 0.00 -0.71 0.00 0.00 39.64 33.72 3df4 n ILE 63 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3df4 n SER 64 N -0.52 0.00 -2.05 4.38 7.64 -0.92 -4.66 113.62 117.49 3df4 n SER 64 Ca 0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.92 3df4 n SER 64 Cb 0.26 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 3df4 n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3df4 n ASN 65 N 0.00 1.77 0.00 6.43 4.13 -1.26 -4.29 115.26 122.04 3df4 n ASN 65 Ca 0.00 -1.63 0.00 0.00 1.68 0.00 0.00 54.58 54.63 3df4 n ASN 65 Cb 0.00 -0.42 0.00 0.00 -1.54 0.00 0.00 39.78 37.82 3df4 n ASN 65 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3df4 n GLY 66 N 2.27 1.22 3.40 7.41 0.00 -1.26 -5.03 105.19 113.19 3df4 n GLY 66 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3df4 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df4 s GLU 67 N -0.66 3.35 0.32 1.61 0.41 -1.26 -5.10 118.70 117.37 3df4 s GLU 67 Ca 0.00 -0.66 -0.28 0.00 -0.41 0.00 0.00 54.97 53.61 3df4 s GLU 67 Cb 0.00 -2.64 -0.09 0.00 -1.78 0.00 0.00 34.13 29.61 3df4 s GLU 67 CO 0.00 0.26 1.15 0.20 -0.49 0.00 0.00 175.26 176.38 3df4 s GLY 68 N 0.25 2.99 0.06 -1.39 0.00 -1.26 -2.17 107.32 105.80 3df4 s GLY 68 Ca -0.08 0.98 0.04 0.00 0.00 0.00 0.00 44.72 45.66 3df4 s GLY 68 CO 0.05 1.56 -0.12 -1.34 0.00 0.00 0.00 173.10 173.25 3df4 s VAL 69 N -1.24 0.95 -0.02 1.40 -7.23 -1.26 -4.88 120.40 108.12 3df4 s VAL 69 Ca 0.49 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.44 3df4 s VAL 69 Cb -0.33 -0.93 0.01 0.00 0.56 0.00 0.00 36.38 35.69 3df4 s VAL 69 CO 0.42 -0.26 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.32 3df4 s GLU 70 N -1.66 0.40 -0.12 4.82 2.02 -1.26 -2.38 118.70 120.52 3df4 s GLU 70 Ca -0.04 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.92 3df4 s GLU 70 Cb -0.10 -0.48 0.02 0.00 0.10 0.00 0.00 34.13 33.67 3df4 s GLU 70 CO 0.02 -0.04 -0.14 0.50 0.02 0.00 0.00 175.26 175.62 3df4 s ARG 71 N 0.56 2.14 -1.11 1.61 3.52 -1.23 -4.89 118.95 119.56 3df4 s ARG 71 Ca -0.06 -0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 54.90 3df4 s ARG 71 Cb -0.09 -1.92 0.20 0.00 -1.56 0.00 0.00 34.95 31.58 3df4 s ARG 71 CO -0.01 -0.16 1.24 0.08 -0.81 0.00 0.00 175.30 175.65 3df4 s VAL 72 N 1.28 5.34 0.27 7.11 1.01 -1.26 -1.04 120.40 133.11 3df4 s VAL 72 Ca -0.01 -2.73 -0.30 0.00 0.00 0.00 0.00 61.98 58.94 3df4 s VAL 72 Cb -0.14 -4.77 -0.10 0.00 0.00 0.00 0.00 36.38 31.37 3df4 s VAL 72 CO -0.06 -1.43 1.47 -0.36 0.00 0.00 0.00 175.10 174.73 3df4 s PHE 73 N 0.73 2.93 -0.68 5.22 0.08 -1.26 -4.69 117.98 120.31 3df4 s PHE 73 Ca 0.36 0.99 -0.03 0.00 0.12 0.00 0.00 56.93 58.37 3df4 s PHE 73 Cb -0.06 -3.89 0.15 0.00 -0.57 0.00 0.00 43.02 38.65 3df4 s PHE 73 CO -0.04 -2.87 2.52 1.04 -0.10 0.00 0.00 175.22 175.76 3df4 n GLN 74 N 2.10 2.90 0.00 0.44 1.13 -1.24 -2.14 117.38 120.57 3df4 n GLN 74 Ca 0.06 -2.86 0.00 0.00 -1.94 0.00 0.00 57.00 52.26 3df4 n GLN 74 Cb 0.40 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 28.50 3df4 n GLN 74 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 3df4 n THR 75 N 0.61 0.00 -0.71 5.09 -1.04 -1.14 -1.28 114.28 115.81 3df4 n THR 75 Ca 0.52 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 62.43 3df4 n THR 75 Cb 0.43 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.83 3df4 n THR 75 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3df4 n HIS 76 N 0.00 0.11 -5.24 -1.42 8.25 -1.26 -4.76 115.22 110.89 3df4 n HIS 76 Ca 0.00 -1.13 -0.32 0.00 -0.26 0.00 0.00 57.72 56.02 3df4 n HIS 76 Cb 0.00 -1.28 -0.17 0.00 1.12 0.00 0.00 29.99 29.66 3df4 n HIS 76 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3df4 s SER 77 N 2.35 3.09 0.23 0.41 0.15 -0.40 -4.87 113.70 114.67 3df4 s SER 77 Ca 0.47 -0.53 -0.09 0.00 0.70 0.00 0.00 55.95 56.50 3df4 s SER 77 Cb 0.22 -1.06 0.38 0.00 -1.71 0.00 0.00 66.02 63.84 3df4 s SER 77 CO -0.00 0.21 1.64 -0.65 1.20 0.00 0.00 173.24 175.64 3df4 h PRO 78 N 6.31 0.08 -0.38 5.44 0.11 -1.91 0.19 132.00 141.84 3df4 h PRO 78 Ca -0.27 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.94 3df4 h PRO 78 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3df4 h PRO 78 CO 0.47 0.05 0.37 -0.39 -0.21 0.00 0.00 178.00 178.29 3df4 h VAL 79 N 0.08 0.46 -0.33 3.15 -1.51 -1.95 0.07 116.25 116.23 3df4 h VAL 79 Ca 0.38 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.76 3df4 h VAL 79 Cb 0.64 0.71 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 3df4 h VAL 79 CO -0.65 0.00 -0.17 1.62 -1.23 0.00 0.00 177.57 177.14 3df4 h VAL 80 N 0.00 1.25 0.00 7.19 3.04 -0.90 -2.18 116.25 124.65 3df4 h VAL 80 Ca 0.18 -1.17 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 3df4 h VAL 80 Cb 0.92 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 3df4 h VAL 80 CO -0.00 0.38 0.00 -0.67 -1.01 0.00 0.00 177.57 176.27 3df4 n ASP 81 N -4.16 0.00 -4.89 3.17 2.03 0.01 -4.09 116.55 108.62 3df4 n ASP 81 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.03 3df4 n ASP 81 Cb 0.37 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.80 3df4 n ASP 81 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3df4 s SER 82 N -4.00 5.74 -0.29 1.67 1.04 -1.21 -5.01 113.70 111.64 3df4 s SER 82 Ca 0.00 1.04 0.02 0.00 0.48 0.00 0.00 55.95 57.49 3df4 s SER 82 Cb 0.00 -2.01 0.18 0.00 0.10 0.00 0.00 66.02 64.29 3df4 s SER 82 CO 0.00 -1.07 0.54 -0.51 0.98 0.00 0.00 173.24 173.18 3df4 s ILE 83 N -3.14 -0.90 0.00 -1.02 -1.16 -1.26 -2.60 121.20 111.12 3df4 s ILE 83 Ca 0.55 -0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.63 3df4 s ILE 83 Cb -0.11 -0.98 0.00 0.00 0.61 0.00 0.00 42.46 41.98 3df4 s ILE 83 CO 0.49 -0.06 0.00 -0.24 -2.81 0.00 0.00 174.94 172.32 3df4 n SER 84 N 5.41 -0.26 0.00 4.50 2.88 -0.79 -4.76 113.62 120.59 3df4 n SER 84 Ca 0.01 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 3df4 n SER 84 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 3df4 n SER 84 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 3df4 n VAL 85 N -1.12 0.00 0.00 2.46 3.14 -1.26 -4.12 118.33 117.42 3df4 n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3df4 n VAL 85 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3df4 n VAL 85 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 3df4 n LYS 86 N -0.15 0.00 -4.88 1.45 4.01 -1.26 -0.65 118.16 116.68 3df4 n LYS 86 Ca 0.00 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.54 3df4 n LYS 86 Cb 0.00 0.00 -0.16 0.00 -0.51 0.00 0.00 35.03 34.36 3df4 n LYS 86 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3df4 s ARG 87 N 0.00 1.59 0.19 1.97 3.52 -1.26 -4.85 118.95 120.12 3df4 s ARG 87 Ca 0.00 -0.64 0.05 0.00 -0.13 0.00 0.00 55.73 55.01 3df4 s ARG 87 Cb 0.00 -1.48 -0.04 0.00 -1.56 0.00 0.00 34.95 31.87 3df4 s ARG 87 CO 0.00 0.35 0.20 -0.98 -0.81 0.00 0.00 175.30 174.06 3df4 s ARG 88 N -0.28 3.06 0.00 5.12 1.70 -1.26 0.22 118.95 127.51 3df4 s ARG 88 Ca 0.04 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3df4 s ARG 88 Cb -0.09 -2.71 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 3df4 s ARG 88 CO 0.00 0.46 0.00 0.41 -1.08 0.00 0.00 175.30 175.09 3df4 n GLY 89 N -0.73 3.73 3.67 3.88 0.00 -1.25 -1.14 105.19 113.34 3df4 n GLY 89 Ca -0.08 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3df4 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df4 s ALA 90 N -1.71 3.63 0.00 4.61 0.00 0.32 -4.42 121.76 124.19 3df4 s ALA 90 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3df4 s ALA 90 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3df4 s ALA 90 CO 0.00 -1.13 0.00 1.33 0.00 0.00 0.00 175.76 175.96 3df4 n VAL 91 N 5.23 0.00 -2.89 0.00 0.24 -1.26 -4.68 118.33 114.97 3df4 n VAL 91 Ca 0.14 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.33 3df4 n VAL 91 Cb 0.45 -0.23 0.03 0.00 -1.47 0.00 0.00 33.84 32.61 3df4 n VAL 91 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3df4 n ARG 92 N 0.00 -3.25 -3.65 7.34 0.63 -1.26 -5.00 116.66 111.47 3df4 n ARG 92 Ca 0.00 0.39 -0.02 0.00 -0.92 0.00 0.00 57.85 57.30 3df4 n ARG 92 Cb 0.00 -4.11 -0.07 0.00 0.45 0.00 0.00 32.46 28.73 3df4 n ARG 92 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3df4 s LYS 93 N -5.45 0.11 0.09 -0.14 2.47 -1.26 -5.04 119.74 110.51 3df4 s LYS 93 Ca 0.23 0.14 0.17 0.00 -1.56 0.00 0.00 55.97 54.95 3df4 s LYS 93 Cb -0.10 0.05 -0.11 0.00 -1.46 0.00 0.00 37.83 36.20 3df4 s LYS 93 CO 0.29 -0.01 0.90 0.00 0.16 0.00 0.00 175.35 176.68 3df4 h ALA 94 N 3.71 0.65 -3.12 3.13 0.00 -1.95 -3.43 119.26 118.26 3df4 h ALA 94 Ca -0.27 -0.79 -0.61 0.00 0.00 0.00 0.00 54.91 53.24 3df4 h ALA 94 Cb 1.19 0.23 -0.40 0.00 0.00 0.00 0.00 17.79 18.81 3df4 h ALA 94 CO 0.18 0.87 -0.74 0.15 0.00 0.00 0.00 179.25 179.72 3df4 s LYS 95 N -2.93 1.16 -1.11 0.00 3.01 -1.25 -4.46 119.74 114.15 3df4 s LYS 95 Ca -0.02 -1.74 -0.08 0.00 -1.01 0.00 0.00 55.97 53.12 3df4 s LYS 95 Cb 0.09 -2.35 -0.10 0.00 -1.01 0.00 0.00 37.83 34.45 3df4 s LYS 95 CO 0.80 -1.09 2.74 1.28 0.51 0.00 0.00 175.35 179.60 3df4 n LEU 96 N 3.98 6.81 0.02 3.17 4.32 0.17 -4.43 117.00 131.04 3df4 n LEU 96 Ca 0.05 -3.62 -0.16 0.00 -0.02 0.00 0.00 56.01 52.25 3df4 n LEU 96 Cb 0.37 -1.35 -0.06 0.00 -1.62 0.00 0.00 43.42 40.76 3df4 n LEU 96 CO 0.21 1.51 0.22 1.88 -1.22 0.00 0.00 177.39 179.99 3df4 h TYR 97 N 5.10 0.91 -0.90 -1.77 0.99 -1.96 -3.10 116.97 116.24 3df4 h TYR 97 Ca 0.63 -0.44 0.16 0.00 2.00 0.00 0.00 58.73 61.09 3df4 h TYR 97 Cb 0.43 -0.13 -0.07 0.00 1.00 0.00 0.00 36.73 37.97 3df4 h TYR 97 CO 1.87 1.26 0.58 0.10 -0.00 0.00 0.00 178.16 181.97 3df4 h TYR 98 N 0.41 0.77 0.00 4.88 -0.00 -1.99 0.51 116.97 121.55 3df4 h TYR 98 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.68 3df4 h TYR 98 Cb 1.49 -0.24 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3df4 h TYR 98 CO 0.08 0.25 0.00 -0.11 -0.00 0.00 0.00 178.16 178.38 3df4 n LEU 99 N -4.57 0.00 0.00 0.10 -0.00 -1.17 -4.33 117.00 107.03 3df4 n LEU 99 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 3df4 n LEU 99 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3df4 n LEU 99 CO 0.29 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.54 3df4 n ARG 100 N -0.63 0.00 -1.50 1.96 3.00 0.18 -4.55 116.66 115.11 3df4 n ARG 100 Ca 0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.56 3df4 n ARG 100 Cb 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 32.46 32.28 3df4 n ARG 100 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3df4 n GLU 101 N 0.00 0.02 0.00 -0.14 -0.00 -1.26 -4.33 120.64 114.93 3df4 n GLU 101 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.16 57.15 3df4 n GLU 101 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 31.44 30.17 3df4 n GLU 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3df4 n ARG 102 N 6.91 0.00 -0.64 3.44 5.12 -1.26 -5.08 116.66 125.14 3df4 n ARG 102 Ca 0.67 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.67 3df4 n ARG 102 Cb 0.10 -0.08 -0.03 0.00 -1.16 0.00 0.00 32.46 31.29 3df4 n ARG 102 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3df4 n THR 103 N -2.29 0.00 -0.93 0.55 -1.04 -1.26 -4.53 114.28 104.77 3df4 n THR 103 Ca 0.00 0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.84 3df4 n THR 103 Cb 0.00 -0.41 0.07 0.00 -1.82 0.00 0.00 70.33 68.17 3df4 n THR 103 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3df4 n GLY 104 N -3.21 -3.47 4.68 3.41 0.00 -1.26 -2.10 105.19 103.24 3df4 n GLY 104 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3df4 n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3df4 n LYS 105 N 1.26 0.00 -0.04 1.61 4.76 -1.26 -4.29 118.16 120.19 3df4 n LYS 105 Ca -0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3df4 n LYS 105 Cb 0.63 -0.86 -0.13 0.00 -1.84 0.00 0.00 35.03 32.83 3df4 n LYS 105 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3df4 h ALA 106 N 0.00 0.31 0.00 7.82 0.00 -1.73 -3.33 119.26 122.33 3df4 h ALA 106 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3df4 h ALA 106 Cb 0.00 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3df4 h ALA 106 CO 0.00 0.96 0.00 0.00 0.00 0.00 0.00 179.25 180.21 3df4 n ALA 107 N -3.18 1.55 -1.54 0.00 0.00 -0.89 -4.69 120.51 111.78 3df4 n ALA 107 Ca -0.31 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 3df4 n ALA 107 Cb 0.86 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 3df4 n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df4 n ARG 108 N -1.35 0.50 -3.25 0.00 1.74 -1.25 -4.88 116.66 108.18 3df4 n ARG 108 Ca 0.04 -0.30 -0.41 0.00 -0.77 0.00 0.00 57.85 56.41 3df4 n ARG 108 Cb 0.08 -2.75 -0.08 0.00 -1.02 0.00 0.00 32.46 28.70 3df4 n ARG 108 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3df4 s ILE 109 N 10.29 5.02 0.39 0.55 -5.25 -1.26 -5.03 121.20 125.91 3df4 s ILE 109 Ca 1.09 0.30 -0.24 0.00 -0.99 0.00 0.00 60.65 60.81 3df4 s ILE 109 Cb -0.47 -3.96 -0.12 0.00 2.95 0.00 0.00 42.46 40.85 3df4 s ILE 109 CO 0.30 -0.22 0.76 0.29 -1.79 0.00 0.00 174.94 174.28 3df4 n LYS 110 N 5.72 0.90 -0.51 0.37 4.01 -1.26 -4.73 118.16 122.66 3df4 n LYS 110 Ca -0.05 0.32 -0.29 0.00 -0.51 0.00 0.00 58.31 57.78 3df4 n LYS 110 Cb 0.49 -1.69 0.27 0.00 -0.51 0.00 0.00 35.03 33.58 3df4 n LYS 110 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3df4 n GLU 111 N 0.49 -4.13 0.00 1.97 -0.00 -1.26 0.12 120.64 117.82 3df4 n GLU 111 Ca 0.11 -1.50 0.00 0.00 -0.00 0.00 0.00 57.16 55.77 3df4 n GLU 111 Cb 0.37 -1.72 0.00 0.00 -0.00 0.00 0.00 31.44 30.09 3df4 n GLU 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3df4 n ARG 112 N -5.30 0.00 -2.04 3.44 3.00 -0.30 -1.75 116.66 113.72 3df4 n ARG 112 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3df4 n ARG 112 Cb 0.57 -0.40 0.00 0.00 0.00 0.00 0.00 32.46 32.63 3df4 n ARG 112 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3df4 n LEU 113 N -0.62 -5.67 0.00 6.15 0.00 -1.26 -4.78 117.00 110.83 3df4 n LEU 113 Ca 0.00 2.33 0.00 0.00 0.00 0.00 0.00 56.01 58.34 3df4 n LEU 113 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 43.42 40.63 3df4 n LEU 113 CO 0.00 -2.22 0.15 0.59 0.00 0.00 0.00 177.39 175.91