#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 s VAL 2 N 0.00 0.83 0.55 0.00 1.01 -1.26 -5.13 120.40 116.40 3df4 s VAL 2 Ca 0.00 -1.52 -0.21 0.00 0.00 0.00 0.00 61.98 60.25 3df4 s VAL 2 Cb 0.00 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 3df4 s VAL 2 CO 0.00 -0.53 1.05 0.00 0.00 0.00 0.00 175.10 175.62 3df4 n GLN 3 N 0.75 1.18 0.00 2.72 10.64 -1.26 -4.91 117.38 126.50 3df4 n GLN 3 Ca -0.17 0.44 0.10 0.00 -1.83 0.00 0.00 57.00 55.53 3df4 n GLN 3 Cb 0.57 -2.22 0.02 0.00 -0.86 0.00 0.00 30.24 27.75 3df4 n GLN 3 CO 0.00 0.00 0.00 0.94 -1.83 0.00 0.00 177.06 176.17 3df4 n GLN 4 N -0.71 1.54 -3.82 2.61 7.27 -1.26 -4.98 117.38 118.03 3df4 n GLN 4 Ca 0.12 -1.09 -0.10 0.00 0.07 0.00 0.00 57.00 56.00 3df4 n GLN 4 Cb 0.45 -1.39 -0.06 0.00 2.41 0.00 0.00 30.24 31.65 3df4 n GLN 4 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3df4 s ASN 5 N -2.10 -0.04 -0.55 1.69 0.02 -1.26 -5.12 114.94 107.58 3df4 s ASN 5 Ca 0.18 -0.61 -0.28 0.00 -1.02 0.00 0.00 52.86 51.12 3df4 s ASN 5 Cb 0.16 0.44 0.03 0.00 0.02 0.00 0.00 41.25 41.90 3df4 s ASN 5 CO 0.44 -0.86 1.17 -0.75 0.02 0.00 0.00 177.10 177.12 3df4 s LYS 6 N -3.88 3.56 -0.46 -0.60 2.20 -1.26 -4.95 119.74 114.35 3df4 s LYS 6 Ca 0.09 0.31 -0.33 0.00 -0.36 0.00 0.00 55.97 55.68 3df4 s LYS 6 Cb 0.03 -3.99 -0.12 0.00 -1.51 0.00 0.00 37.83 32.24 3df4 s LYS 6 CO -0.07 -1.59 2.29 -2.30 -0.36 0.00 0.00 175.35 173.32 3df4 n PRO 7 N 8.24 0.90 -1.49 4.03 -0.02 -1.26 -4.87 135.00 140.53 3df4 n PRO 7 Ca 0.09 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.36 3df4 n PRO 7 Cb 0.49 -2.46 0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3df4 n PRO 7 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3df4 n THR 8 N 7.35 2.01 -0.18 3.45 5.66 -1.26 -4.76 114.28 126.55 3df4 n THR 8 Ca 0.44 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 61.04 3df4 n THR 8 Cb 0.24 -0.69 0.40 0.00 -1.55 0.00 0.00 70.33 68.74 3df4 n THR 8 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 3df4 h ARG 9 N 0.86 0.62 -0.11 1.09 0.11 -2.00 -1.87 114.38 113.08 3df4 h ARG 9 Ca -0.42 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 59.67 3df4 h ARG 9 Cb 1.39 -0.14 -0.06 0.00 1.11 0.00 0.00 29.97 32.27 3df4 h ARG 9 CO 0.52 0.41 -0.30 1.03 0.10 0.00 0.00 179.97 181.73 3df4 h SER 10 N 0.64 -0.93 -0.26 0.08 0.87 -2.01 -1.94 113.55 110.00 3df4 h SER 10 Ca 0.35 0.14 0.06 0.00 -1.23 0.00 0.00 61.79 61.11 3df4 h SER 10 Cb 0.50 0.40 -0.07 0.00 -0.44 0.00 0.00 62.40 62.79 3df4 h SER 10 CO -0.13 -0.35 -0.18 0.50 -0.53 0.00 0.00 176.83 176.14 3df4 h LYS 11 N -0.39 -0.16 -0.95 2.24 1.63 -1.68 -2.52 116.57 114.73 3df4 h LYS 11 Ca 0.09 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.03 3df4 h LYS 11 Cb 0.53 0.04 -0.14 0.00 -0.60 0.00 0.00 32.23 32.05 3df4 h LYS 11 CO -0.33 -0.11 -0.43 -2.13 -3.45 0.00 0.00 179.45 173.01 3df4 n ARG 12 N -5.34 -0.28 -0.21 1.90 0.63 -0.76 -0.09 116.66 112.52 3df4 n ARG 12 Ca -0.00 1.46 -0.06 0.00 -0.92 0.00 0.00 57.85 58.32 3df4 n ARG 12 Cb 0.26 -2.16 0.03 0.00 0.45 0.00 0.00 32.46 31.04 3df4 n ARG 12 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3df4 h GLY 13 N 0.00 0.85 0.12 5.14 0.00 -1.15 -2.22 103.07 105.81 3df4 h GLY 13 Ca 0.28 -0.35 0.14 0.00 0.00 0.00 0.00 47.33 47.41 3df4 h GLY 13 CO -0.93 0.34 0.28 -0.33 0.00 0.00 0.00 176.54 175.90 3df4 h MET 14 N 0.79 0.40 0.00 4.80 2.86 -0.17 0.48 114.93 124.09 3df4 h MET 14 Ca 0.21 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3df4 h MET 14 Cb -0.02 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3df4 h MET 14 CO -0.04 0.27 -0.31 -0.09 1.06 0.00 0.00 176.91 177.80 3df4 h ARG 15 N 0.41 0.00 -0.76 1.72 2.43 -0.90 -2.40 114.38 114.88 3df4 h ARG 15 Ca 0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.58 3df4 h ARG 15 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 3df4 h ARG 15 CO -0.42 0.31 0.00 0.54 -1.51 0.00 0.00 179.97 178.89 3df4 n ARG 16 N -3.74 2.84 0.10 0.20 1.74 0.16 -4.39 116.66 113.58 3df4 n ARG 16 Ca -0.01 -1.54 -0.04 0.00 -0.77 0.00 0.00 57.85 55.49 3df4 n ARG 16 Cb 0.40 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.99 3df4 n ARG 16 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3df4 h SER 17 N 1.99 -0.22 0.39 0.55 4.64 -0.82 -3.29 113.55 116.79 3df4 h SER 17 Ca 0.00 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 3df4 h SER 17 Cb 1.17 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 3df4 h SER 17 CO 0.22 -0.12 -0.40 0.45 -0.87 0.00 0.00 176.83 176.11 3df4 h HIS 18 N -0.33 0.03 0.00 4.77 3.86 -1.82 -2.97 115.15 118.68 3df4 h HIS 18 Ca -0.03 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3df4 h HIS 18 Cb 0.20 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3df4 h HIS 18 CO 0.12 0.43 0.00 -0.25 0.86 0.00 0.00 177.93 179.10 3df4 n ASP 19 N -4.05 0.00 -4.79 2.45 10.43 -1.24 -4.66 116.55 114.68 3df4 n ASP 19 Ca -0.02 0.02 -0.32 0.00 2.57 0.00 0.00 54.79 57.04 3df4 n ASP 19 Cb 0.44 -0.02 0.06 0.00 1.84 0.00 0.00 41.12 43.44 3df4 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3df4 s ALA 20 N -1.81 2.50 0.53 2.24 0.00 -1.13 -5.04 121.76 119.05 3df4 s ALA 20 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 3df4 s ALA 20 Cb 0.00 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.86 3df4 s ALA 20 CO 0.00 -1.38 0.84 -0.51 0.00 0.00 0.00 175.76 174.71 3df4 s LEU 21 N -5.45 3.47 0.00 0.00 1.43 -1.26 -5.11 118.68 111.76 3df4 s LEU 21 Ca 0.61 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3df4 s LEU 21 Cb -0.16 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3df4 s LEU 21 CO 0.51 -0.76 0.00 1.07 0.23 0.00 0.00 176.35 177.40 3df4 n THR 22 N -2.40 0.00 0.00 5.49 5.66 -1.26 -5.15 114.28 116.61 3df4 n THR 22 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3df4 n THR 22 Cb 0.56 -0.82 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 3df4 n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3df4 n ALA 23 N -3.00 0.00 0.00 1.79 0.00 -1.26 -5.08 120.51 112.96 3df4 n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df4 n ALA 23 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df4 n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3df4 n VAL 24 N 0.00 0.00 -3.42 0.00 0.24 -1.26 -5.03 118.33 108.86 3df4 n VAL 24 Ca 0.00 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 62.01 3df4 n VAL 24 Cb 0.00 0.69 0.02 0.00 -1.47 0.00 0.00 33.84 33.08 3df4 n VAL 24 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3df4 n THR 25 N -0.13 -1.65 -0.82 3.34 -2.24 -1.26 -4.63 114.28 106.89 3df4 n THR 25 Ca 0.00 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 3df4 n THR 25 Cb 0.00 -2.68 -0.03 0.00 -2.10 0.00 0.00 70.33 65.52 3df4 n THR 25 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3df4 n SER 26 N -2.54 -4.92 0.00 3.42 2.88 -1.26 -5.07 113.62 106.14 3df4 n SER 26 Ca -0.03 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 3df4 n SER 26 Cb 0.56 -2.56 0.00 0.00 -0.75 0.00 0.00 64.21 61.46 3df4 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3df4 n LEU 27 N -3.14 0.00 -3.58 2.46 -0.00 -1.26 -4.97 117.00 106.51 3df4 n LEU 27 Ca -0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.92 3df4 n LEU 27 Cb 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.76 3df4 n LEU 27 CO 0.01 0.00 0.85 -0.55 -0.00 0.00 0.00 177.39 177.70 3df4 s SER 28 N 1.00 -0.28 0.24 1.45 0.15 -1.16 -4.80 113.70 110.30 3df4 s SER 28 Ca 0.00 0.22 0.09 0.00 0.70 0.00 0.00 55.95 56.97 3df4 s SER 28 Cb 0.00 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.52 3df4 s SER 28 CO 0.00 -0.32 -0.03 0.54 1.20 0.00 0.00 173.24 174.63 3df4 s VAL 29 N -1.61 3.39 0.61 4.45 0.11 -1.26 -1.35 120.40 124.74 3df4 s VAL 29 Ca 0.03 -1.83 -0.05 0.00 -2.93 0.00 0.00 61.98 57.20 3df4 s VAL 29 Cb -0.01 -2.77 0.03 0.00 -1.53 0.00 0.00 36.38 32.10 3df4 s VAL 29 CO -0.02 -0.30 0.90 -0.62 -3.33 0.00 0.00 175.10 171.73 3df4 s ASP 30 N -3.43 5.33 -0.23 3.54 3.68 0.01 -4.91 116.67 120.66 3df4 s ASP 30 Ca 0.30 0.50 -0.01 0.00 2.13 0.00 0.00 52.55 55.46 3df4 s ASP 30 Cb -0.07 -1.39 -0.19 0.00 -1.45 0.00 0.00 42.92 39.82 3df4 s ASP 30 CO 0.19 -1.21 -0.11 0.29 0.13 0.00 0.00 175.17 174.46 3df4 n LYS 31 N -2.61 0.67 0.15 4.34 5.02 -1.26 -4.33 118.16 120.14 3df4 n LYS 31 Ca 0.06 0.19 0.02 0.00 -2.02 0.00 0.00 58.31 56.55 3df4 n LYS 31 Cb 0.59 -1.56 0.36 0.00 -0.02 0.00 0.00 35.03 34.39 3df4 n LYS 31 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3df4 h THR 32 N -0.07 1.23 -3.87 -0.18 2.02 -1.92 -3.44 112.91 106.67 3df4 h THR 32 Ca -0.55 -1.10 -0.13 0.00 0.77 0.00 0.00 66.41 65.39 3df4 h THR 32 Cb 1.90 1.51 -0.18 0.00 -1.74 0.00 0.00 68.15 69.64 3df4 h THR 32 CO -0.08 0.32 -0.56 -0.94 0.37 0.00 0.00 175.52 174.63 3df4 s SER 33 N -6.92 0.22 0.00 4.18 1.04 -1.26 -5.02 113.70 105.94 3df4 s SER 33 Ca -0.04 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 3df4 s SER 33 Cb 0.15 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.44 3df4 s SER 33 CO 0.73 -0.50 1.95 0.61 0.98 0.00 0.00 173.24 177.01 3df4 n GLY 34 N 0.77 2.31 3.67 7.32 0.00 -1.26 -3.49 105.19 114.52 3df4 n GLY 34 Ca -0.19 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3df4 n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3df4 s GLU 35 N 0.40 4.32 -1.03 1.61 0.41 -1.26 -4.81 118.70 118.34 3df4 s GLU 35 Ca 0.08 1.50 -0.20 0.00 -0.41 0.00 0.00 54.97 55.94 3df4 s GLU 35 Cb 0.04 -3.62 0.09 0.00 -1.78 0.00 0.00 34.13 28.86 3df4 s GLU 35 CO 0.00 -0.51 1.35 0.21 -0.49 0.00 0.00 175.26 175.82 3df4 s LYS 36 N 2.69 3.67 0.54 1.61 2.20 -1.26 -0.81 119.74 128.38 3df4 s LYS 36 Ca 0.50 -1.55 0.05 0.00 -0.36 0.00 0.00 55.97 54.60 3df4 s LYS 36 Cb -0.19 -5.19 0.03 0.00 -1.51 0.00 0.00 37.83 30.97 3df4 s LYS 36 CO 0.15 -2.01 0.35 -3.38 -0.36 0.00 0.00 175.35 170.09 3df4 s HIS 37 N 3.78 1.64 0.53 4.03 -3.43 -0.45 -4.87 115.29 116.52 3df4 s HIS 37 Ca 0.41 -0.86 -0.09 0.00 -0.80 0.00 0.00 55.06 53.72 3df4 s HIS 37 Cb -0.02 -1.87 -0.04 0.00 -1.43 0.00 0.00 32.58 29.22 3df4 s HIS 37 CO -0.07 -0.39 0.90 -1.17 -2.00 0.00 0.00 174.74 172.01 3df4 s LEU 38 N -4.23 3.48 -0.14 5.38 0.20 -1.26 -2.97 118.68 119.13 3df4 s LEU 38 Ca 0.30 1.19 -0.29 0.00 0.69 0.00 0.00 54.13 56.01 3df4 s LEU 38 Cb -0.02 -4.18 -0.03 0.00 -0.43 0.00 0.00 46.19 41.54 3df4 s LEU 38 CO 0.18 -0.68 1.44 -0.13 -0.29 0.00 0.00 176.35 176.87 3df4 s ARG 39 N -4.80 4.14 0.00 1.98 0.52 -1.26 -3.57 118.95 115.96 3df4 s ARG 39 Ca 0.52 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.53 3df4 s ARG 39 Cb -0.11 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.49 3df4 s ARG 39 CO 0.47 -0.85 0.00 0.72 0.02 0.00 0.00 175.30 175.65 3df4 n HIS 40 N 7.07 0.00 -3.58 -0.53 8.25 -1.26 -5.06 115.22 120.11 3df4 n HIS 40 Ca 0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.50 3df4 n HIS 40 Cb 0.44 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3df4 n HIS 40 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 3df4 s HIS 41 N -2.00 -0.46 0.00 4.41 -3.43 -1.23 -5.14 115.29 107.44 3df4 s HIS 41 Ca 0.00 0.91 0.00 0.00 -0.80 0.00 0.00 55.06 55.17 3df4 s HIS 41 Cb 0.00 0.41 0.00 0.00 -1.43 0.00 0.00 32.58 31.56 3df4 s HIS 41 CO 0.00 -0.36 0.00 -0.89 -2.00 0.00 0.00 174.74 171.49 3df4 n ILE 42 N 1.21 0.00 -1.60 -5.38 2.08 -1.26 -4.32 119.36 110.09 3df4 n ILE 42 Ca -0.12 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.14 3df4 n ILE 42 Cb 0.57 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.49 3df4 n ILE 42 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 3df4 n THR 43 N 0.00 0.00 1.84 1.39 -2.24 -1.01 -4.58 114.28 109.68 3df4 n THR 43 Ca 0.00 -0.19 0.08 0.00 -2.27 0.00 0.00 64.05 61.67 3df4 n THR 43 Cb 0.00 -1.68 0.43 0.00 -2.10 0.00 0.00 70.33 66.98 3df4 n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3df4 n ALA 44 N -3.08 2.57 0.00 6.98 0.00 -1.26 -4.03 120.51 121.69 3df4 n ALA 44 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3df4 n ALA 44 Cb 0.09 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3df4 n ALA 44 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3df4 n ASP 45 N -0.52 0.50 0.00 0.00 9.92 -1.26 -5.05 116.55 120.14 3df4 n ASP 45 Ca 0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.38 3df4 n ASP 45 Cb 0.11 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.66 3df4 n ASP 45 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3df4 n GLY 46 N 0.54 -0.82 0.00 0.44 0.00 -1.26 -3.05 105.19 101.05 3df4 n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df4 n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3df4 n TYR 47 N 0.00 0.00 0.00 1.61 4.02 -1.26 -1.18 117.16 120.35 3df4 n TYR 47 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3df4 n TYR 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3df4 n TYR 47 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3df4 n TYR 48 N 0.00 0.00 -2.08 -0.72 -0.00 -1.26 -2.40 117.16 110.70 3df4 n TYR 48 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 3df4 n TYR 48 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 39.34 39.37 3df4 n TYR 48 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3df4 n ARG 49 N 0.00 3.11 0.00 2.98 1.74 -1.26 -4.60 116.66 118.62 3df4 n ARG 49 Ca 0.00 -3.95 0.00 0.00 -0.77 0.00 0.00 57.85 53.13 3df4 n ARG 49 Cb 0.00 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.17 3df4 n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3df4 n GLY 50 N -0.58 0.12 6.27 -0.13 0.00 -1.26 -5.01 105.19 104.61 3df4 n GLY 50 Ca 0.48 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3df4 n GLY 50 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3df4 n ARG 51 N 0.00 0.00 -1.57 1.61 1.85 -1.26 -4.68 116.66 112.60 3df4 n ARG 51 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.81 3df4 n ARG 51 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 3df4 n ARG 51 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 3df4 n LYS 52 N 0.00 0.48 -1.56 2.89 0.00 -1.26 -4.68 118.16 114.03 3df4 n LYS 52 Ca 0.00 -0.92 -0.65 0.00 0.00 0.00 0.00 58.31 56.74 3df4 n LYS 52 Cb 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 35.03 35.37 3df4 n LYS 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3df4 n VAL 53 N -0.55 0.01 -1.51 3.15 0.24 -0.32 -3.74 118.33 115.61 3df4 n VAL 53 Ca -0.20 -0.01 -0.00 0.00 -2.04 0.00 0.00 64.34 62.09 3df4 n VAL 53 Cb 0.71 -0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 3df4 n VAL 53 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3df4 n ILE 54 N 4.97 -2.62 -2.06 1.34 5.41 -1.26 -4.48 119.36 120.66 3df4 n ILE 54 Ca 0.40 0.02 -0.37 0.00 1.00 0.00 0.00 62.75 63.80 3df4 n ILE 54 Cb -0.04 -3.77 0.02 0.00 -0.71 0.00 0.00 39.64 35.14 3df4 n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df4 s ALA 55 N -0.01 2.74 0.00 -1.39 0.00 -1.25 -4.18 121.76 117.67 3df4 s ALA 55 Ca -0.00 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3df4 s ALA 55 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3df4 s ALA 55 CO 0.01 -1.03 0.00 0.36 0.00 0.00 0.00 175.76 175.10