#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df2 n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.04 118.16 117.91 3df2 n LYS 2 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3df2 n LYS 2 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.56 3df2 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3df2 n ALA 3 N -3.00 2.15 -0.05 7.82 0.00 -1.26 -3.37 120.51 122.80 3df2 n ALA 3 Ca 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 53.44 53.58 3df2 n ALA 3 Cb 0.00 -1.38 0.72 0.00 0.00 0.00 0.00 19.45 18.79 3df2 n ALA 3 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3df2 h LYS 4 N 0.00 0.00 0.00 0.00 3.64 -2.07 0.95 116.57 119.09 3df2 h LYS 4 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3df2 h LYS 4 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3df2 h LYS 4 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 3df2 n GLU 5 N -4.15 0.22 -1.47 1.90 -0.58 -1.22 -4.74 120.64 110.60 3df2 n GLU 5 Ca 0.13 0.27 -0.29 0.00 -0.42 0.00 0.00 57.16 56.84 3df2 n GLU 5 Cb 0.76 -1.80 0.14 0.00 -0.57 0.00 0.00 31.44 29.97 3df2 n GLU 5 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3df2 s LEU 6 N -4.38 2.00 0.00 -4.62 2.01 0.33 -3.46 118.68 110.55 3df2 s LEU 6 Ca 0.09 1.04 0.00 0.00 0.01 0.00 0.00 54.13 55.27 3df2 s LEU 6 Cb 0.12 -3.37 0.00 0.00 0.01 0.00 0.00 46.19 42.95 3df2 s LEU 6 CO 0.52 -2.60 0.00 -1.14 1.01 0.00 0.00 176.35 174.14 3df2 n ARG 7 N -3.81 0.00 -0.30 1.70 3.00 -1.26 -4.67 116.66 111.32 3df2 n ARG 7 Ca 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.92 3df2 n ARG 7 Cb 0.59 -2.82 0.14 0.00 0.00 0.00 0.00 32.46 30.37 3df2 n ARG 7 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3df2 h GLU 8 N 0.27 0.91 -2.53 -0.14 4.39 -1.85 -3.49 114.58 112.14 3df2 h GLU 8 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3df2 h GLU 8 Cb 0.00 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.45 3df2 h GLU 8 CO 0.00 0.60 -0.63 1.63 -1.16 0.00 0.00 179.01 179.45 3df2 n LYS 9 N -4.64 -3.01 0.00 2.33 4.01 -1.26 -3.83 118.16 111.76 3df2 n LYS 9 Ca 0.12 2.27 0.00 0.00 -0.51 0.00 0.00 58.31 60.20 3df2 n LYS 9 Cb 0.19 -2.65 0.00 0.00 -0.51 0.00 0.00 35.03 32.06 3df2 n LYS 9 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3df2 n SER 10 N -1.41 0.00 -0.23 4.39 3.41 -1.26 -1.20 113.62 117.32 3df2 n SER 10 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3df2 n SER 10 Cb 0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 3df2 n SER 10 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3df2 n VAL 11 N -0.41 -0.38 0.01 -3.33 0.31 -1.26 0.17 118.33 113.44 3df2 n VAL 11 Ca 0.00 1.93 0.00 0.00 -0.01 0.00 0.00 64.34 66.26 3df2 n VAL 11 Cb 0.00 -2.44 0.00 0.00 -0.91 0.00 0.00 33.84 30.49 3df2 n VAL 11 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3df2 n GLU 12 N -4.25 0.00 -0.12 5.55 1.02 -0.35 -2.79 120.64 119.71 3df2 n GLU 12 Ca 0.01 0.32 -0.24 0.00 -0.02 0.00 0.00 57.16 57.23 3df2 n GLU 12 Cb 0.14 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 29.98 3df2 n GLU 12 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3df2 n GLU 13 N -1.32 0.53 -0.37 3.49 -0.58 0.46 -4.02 120.64 118.83 3df2 n GLU 13 Ca 0.00 0.23 0.29 0.00 -0.42 0.00 0.00 57.16 57.26 3df2 n GLU 13 Cb 0.00 -1.40 0.55 0.00 -0.57 0.00 0.00 31.44 30.02 3df2 n GLU 13 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3df2 h LEU 14 N -0.92 0.39 -0.26 -4.62 -0.00 -0.44 0.85 115.31 110.30 3df2 h LEU 14 Ca -0.52 0.14 -0.20 0.00 -0.00 0.00 0.00 57.88 57.30 3df2 h LEU 14 Cb 1.44 0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 42.19 3df2 h LEU 14 CO -0.31 -0.10 -0.89 -0.55 -0.00 0.00 0.00 178.44 176.58 3df2 h ASN 15 N 0.24 0.25 0.00 -0.43 7.08 -1.79 -3.04 115.58 117.89 3df2 h ASN 15 Ca 0.73 -0.21 0.00 0.00 -3.08 0.00 0.00 56.30 53.75 3df2 h ASN 15 Cb 1.99 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 38.15 3df2 h ASN 15 CO -0.45 1.02 0.00 0.41 -2.08 0.00 0.00 177.43 176.33 3df2 n THR 16 N -3.64 0.00 -0.34 6.14 -1.04 0.29 -2.26 114.28 113.44 3df2 n THR 16 Ca -0.04 1.18 0.28 0.00 -2.04 0.00 0.00 64.05 63.43 3df2 n THR 16 Cb 0.82 -2.07 0.59 0.00 -1.82 0.00 0.00 70.33 67.85 3df2 n THR 16 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3df2 h GLU 17 N 0.00 0.24 -0.45 -2.82 -0.00 -1.67 0.13 114.58 110.01 3df2 h GLU 17 Ca 0.00 -0.01 0.09 0.00 -0.00 0.00 0.00 59.36 59.44 3df2 h GLU 17 Cb 0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 28.75 28.60 3df2 h GLU 17 CO 0.00 0.16 -0.27 1.25 -0.00 0.00 0.00 179.01 180.15 3df2 h LEU 18 N 0.25 -0.93 -0.64 3.06 7.12 -1.37 0.10 115.31 122.91 3df2 h LEU 18 Ca 0.61 0.19 0.03 0.00 0.13 0.00 0.00 57.88 58.84 3df2 h LEU 18 Cb 1.84 0.47 -0.04 0.00 -0.53 0.00 0.00 40.66 42.39 3df2 h LEU 18 CO -0.23 -0.28 0.40 -0.07 -0.13 0.00 0.00 178.44 178.12 3df2 h LEU 19 N -0.18 0.65 -0.06 2.25 4.07 -0.29 0.03 115.31 121.78 3df2 h LEU 19 Ca 0.20 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.18 3df2 h LEU 19 Cb 0.51 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.08 3df2 h LEU 19 CO -0.56 0.45 -0.26 0.78 -1.08 0.00 0.00 178.44 177.77 3df2 h ASN 20 N 0.78 -0.83 0.31 -0.43 -0.26 -0.67 -3.14 115.58 111.34 3df2 h ASN 20 Ca 0.26 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 56.08 3df2 h ASN 20 Cb 0.02 0.32 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 3df2 h ASN 20 CO -0.10 -0.24 -0.17 0.17 -1.06 0.00 0.00 177.43 176.03 3df2 h LEU 21 N -0.29 -0.41 -8.82 1.61 -0.00 -1.24 0.94 115.31 107.10 3df2 h LEU 21 Ca 0.01 0.02 -0.72 0.00 -0.00 0.00 0.00 57.88 57.19 3df2 h LEU 21 Cb 0.33 0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3df2 h LEU 21 CO -0.21 -0.27 1.12 -0.11 -0.00 0.00 0.00 178.44 178.98 3df2 n LEU 22 N -3.28 2.13 0.00 0.17 7.94 -0.01 -0.84 117.00 123.11 3df2 n LEU 22 Ca -0.05 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 3df2 n LEU 22 Cb 0.18 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 42.97 3df2 n LEU 22 CO 0.13 -0.56 0.00 0.54 -1.11 0.00 0.00 177.39 176.39 3df2 n ARG 23 N 6.58 0.00 -0.32 1.96 5.12 -1.26 -4.24 116.66 124.50 3df2 n ARG 23 Ca 0.35 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 56.48 3df2 n ARG 23 Cb 0.14 0.00 0.42 0.00 -1.16 0.00 0.00 32.46 31.86 3df2 n ARG 23 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3df2 h GLU 24 N 0.00 0.16 0.00 5.56 4.39 -1.59 2.28 114.58 125.38 3df2 h GLU 24 Ca 0.00 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.34 3df2 h GLU 24 Cb 0.00 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.55 3df2 h GLU 24 CO 0.00 0.11 -2.33 0.94 -1.16 0.00 0.00 179.01 176.57 3df2 n GLN 25 N -5.22 0.78 0.18 2.33 0.00 0.32 -4.14 117.38 111.64 3df2 n GLN 25 Ca 0.29 0.05 -0.11 0.00 -0.00 0.00 0.00 57.00 57.23 3df2 n GLN 25 Cb 0.93 -1.48 -0.06 0.00 0.00 0.00 0.00 30.24 29.62 3df2 n GLN 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3df2 h PHE 26 N 0.00 -0.47 -0.90 3.69 3.04 -0.00 -2.93 116.94 119.37 3df2 h PHE 26 Ca -0.52 -0.01 0.21 0.00 3.98 0.00 0.00 57.97 61.63 3df2 h PHE 26 Cb 2.02 0.15 -0.12 0.00 2.56 0.00 0.00 35.95 40.57 3df2 h PHE 26 CO 0.01 -0.16 0.41 -0.91 -2.02 0.00 0.00 178.31 175.65 3df2 h ASN 27 N -1.00 0.38 0.11 0.41 -0.26 0.35 -0.13 115.58 115.45 3df2 h ASN 27 Ca -0.05 0.14 0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3df2 h ASN 27 Cb 0.52 0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.84 3df2 h ASN 27 CO 0.08 0.03 -0.41 -0.07 -1.06 0.00 0.00 177.43 176.01 3df2 h LEU 28 N 0.44 -1.21 -0.57 1.61 -0.00 -1.56 0.90 115.31 114.92 3df2 h LEU 28 Ca 0.55 0.14 0.11 0.00 -0.00 0.00 0.00 57.88 58.68 3df2 h LEU 28 Cb 1.03 0.45 -0.11 0.00 -0.00 0.00 0.00 40.66 42.03 3df2 h LEU 28 CO -0.50 -0.48 -0.24 0.03 -0.00 0.00 0.00 178.44 177.24 3df2 h ARG 29 N -0.64 -0.10 -0.04 1.13 3.08 -0.85 0.23 114.38 117.19 3df2 h ARG 29 Ca 0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.09 3df2 h ARG 29 Cb 0.67 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3df2 h ARG 29 CO -0.24 -0.06 -0.02 0.52 -1.07 0.00 0.00 179.97 179.10 3df2 h MET 30 N -0.10 -0.01 -0.19 0.04 2.86 -0.65 -1.21 114.93 115.66 3df2 h MET 30 Ca 0.26 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 3df2 h MET 30 Cb 0.51 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3df2 h MET 30 CO -0.64 -0.01 0.34 0.37 1.06 0.00 0.00 176.91 178.04 3df2 h GLN 31 N -0.01 0.00 0.30 1.72 4.15 0.33 0.55 115.11 122.15 3df2 h GLN 31 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3df2 h GLN 31 Cb 0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3df2 h GLN 31 CO -0.05 0.00 -0.14 0.00 -1.93 0.00 0.00 178.83 176.70 3df2 h ALA 32 N 1.50 -0.47 0.00 3.38 0.00 0.59 -3.26 119.26 121.00 3df2 h ALA 32 Ca 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3df2 h ALA 32 Cb 0.78 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3df2 h ALA 32 CO -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 179.25 178.76 3df2 h ALA 33 N -1.30 1.18 -0.38 0.00 0.00 -1.32 -1.44 119.26 116.00 3df2 h ALA 33 Ca -0.04 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 3df2 h ALA 33 Cb 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.98 3df2 h ALA 33 CO 0.07 0.06 0.27 0.43 0.00 0.00 0.00 179.25 180.07 3df2 n SER 34 N -3.40 3.87 0.00 0.00 7.64 0.14 -4.98 113.62 116.89 3df2 n SER 34 Ca -0.02 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.18 3df2 n SER 34 Cb 0.18 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 3df2 n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3df2 n GLY 35 N 0.01 3.08 2.89 0.23 0.00 -0.54 -4.85 105.19 106.00 3df2 n GLY 35 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3df2 n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3df2 n GLN 36 N 13.38 0.00 -3.29 1.61 6.02 -1.26 -4.18 117.38 129.66 3df2 n GLN 36 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3df2 n GLN 36 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 3df2 n GLN 36 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3df2 n LEU 37 N 0.00 -2.20 -0.27 1.08 0.00 -1.25 -4.85 117.00 109.52 3df2 n LEU 37 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 56.01 55.96 3df2 n LEU 37 Cb 0.00 -1.44 0.40 0.00 0.00 0.00 0.00 43.42 42.39 3df2 n LEU 37 CO 0.00 0.02 0.68 0.00 0.00 0.00 0.00 177.39 178.10 3df2 n GLN 38 N -0.25 0.93 -2.43 1.96 1.13 -1.26 -4.40 117.38 113.06 3df2 n GLN 38 Ca -0.09 -0.54 -0.41 0.00 -1.94 0.00 0.00 57.00 54.02 3df2 n GLN 38 Cb 0.62 -1.49 0.01 0.00 0.11 0.00 0.00 30.24 29.49 3df2 n GLN 38 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3df2 n GLN 39 N -0.57 4.61 0.13 -1.09 1.13 -1.26 -4.80 117.38 115.53 3df2 n GLN 39 Ca 0.13 -4.01 -0.13 0.00 -1.94 0.00 0.00 57.00 51.05 3df2 n GLN 39 Cb 0.35 -2.63 -0.06 0.00 0.11 0.00 0.00 30.24 28.01 3df2 n GLN 39 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3df2 h SER 40 N 4.89 -0.56 -1.54 1.08 4.64 -1.98 -1.77 113.55 118.31 3df2 h SER 40 Ca 0.50 0.06 0.45 0.00 -0.47 0.00 0.00 61.79 62.32 3df2 h SER 40 Cb 0.43 0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 62.66 3df2 h SER 40 CO 1.40 -0.30 1.10 1.12 -0.87 0.00 0.00 176.83 179.29 3df2 h HIS 41 N -0.42 0.02 -0.42 4.77 2.07 -1.98 0.67 115.15 119.86 3df2 h HIS 41 Ca 0.01 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.61 3df2 h HIS 41 Cb 0.41 -0.01 -0.06 0.00 2.57 0.00 0.00 27.41 30.32 3df2 h HIS 41 CO -0.17 -0.00 0.04 -0.07 -3.07 0.00 0.00 177.93 174.65 3df2 h LEU 42 N 0.01 -0.10 -0.66 6.12 4.07 -1.67 0.33 115.31 123.42 3df2 h LEU 42 Ca 0.74 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.83 3df2 h LEU 42 Cb 2.93 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 44.77 3df2 h LEU 42 CO -0.02 -0.01 0.38 -0.07 -1.08 0.00 0.00 178.44 177.64 3df2 h LEU 43 N 0.15 0.59 0.17 1.67 3.38 0.24 -1.91 115.31 119.60 3df2 h LEU 43 Ca 0.21 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3df2 h LEU 43 Cb 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3df2 h LEU 43 CO -0.32 0.39 -0.50 0.50 0.09 0.00 0.00 178.44 178.61 3df2 h LYS 44 N 0.72 -0.74 0.00 1.13 1.63 -0.70 -3.34 116.57 115.28 3df2 h LYS 44 Ca 0.28 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 3df2 h LYS 44 Cb 0.12 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3df2 h LYS 44 CO -0.15 -0.49 0.00 1.04 -3.45 0.00 0.00 179.45 176.40 3df2 n GLN 45 N -5.49 1.47 0.00 1.90 6.02 0.91 -3.62 117.38 118.57 3df2 n GLN 45 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 3df2 n GLN 45 Cb 0.41 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.67 3df2 n GLN 45 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3df2 n VAL 46 N -0.37 0.00 -0.03 5.09 0.31 -1.22 -3.24 118.33 118.87 3df2 n VAL 46 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3df2 n VAL 46 Cb 0.00 0.00 0.54 0.00 -0.91 0.00 0.00 33.84 33.47 3df2 n VAL 46 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3df2 h ARG 47 N 0.00 0.31 -0.16 5.55 3.08 -1.71 0.43 114.38 121.88 3df2 h ARG 47 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3df2 h ARG 47 Cb 0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 3df2 h ARG 47 CO 0.00 0.20 -0.23 0.00 -1.07 0.00 0.00 179.97 178.88 3df2 h ARG 48 N 0.32 0.43 0.22 0.04 3.08 -1.61 -2.49 114.38 114.38 3df2 h ARG 48 Ca 0.24 -0.26 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3df2 h ARG 48 Cb 0.52 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.56 3df2 h ARG 48 CO -0.06 0.84 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.87 3df2 h ASP 49 N 0.06 -1.07 -0.95 7.04 5.19 -0.98 -0.02 116.42 125.69 3df2 h ASP 49 Ca 0.02 0.11 0.30 0.00 -0.62 0.00 0.00 57.03 56.83 3df2 h ASP 49 Cb 0.80 0.39 -0.16 0.00 0.18 0.00 0.00 39.33 40.53 3df2 h ASP 49 CO 0.05 -0.48 0.32 0.58 -3.12 0.00 0.00 179.24 176.60 3df2 h VAL 50 N -0.67 0.19 0.00 -1.35 2.07 -0.30 0.74 116.25 116.93 3df2 h VAL 50 Ca 0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3df2 h VAL 50 Cb 0.66 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3df2 h VAL 50 CO -0.16 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.46 3df2 n ALA 51 N -2.62 -0.29 -0.36 1.67 0.00 -0.09 0.63 120.51 119.46 3df2 n ALA 51 Ca 0.27 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.74 3df2 n ALA 51 Cb 0.88 0.14 0.09 0.00 0.00 0.00 0.00 19.45 20.57 3df2 n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df2 h ARG 52 N 0.00 -0.01 -0.10 0.00 3.08 -0.42 1.95 114.38 118.88 3df2 h ARG 52 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3df2 h ARG 52 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3df2 h ARG 52 CO 0.00 -0.00 -0.16 0.28 -1.07 0.00 0.00 179.97 179.01 3df2 h VAL 53 N -0.01 0.58 0.00 2.04 2.07 -0.61 1.02 116.25 121.34 3df2 h VAL 53 Ca 0.41 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.87 3df2 h VAL 53 Cb 0.66 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3df2 h VAL 53 CO -0.99 0.00 -0.31 0.11 0.02 0.00 0.00 177.57 176.41 3df2 h LYS 54 N -0.22 0.00 0.43 1.57 1.57 0.46 -2.12 116.57 118.27 3df2 h LYS 54 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3df2 h LYS 54 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3df2 h LYS 54 CO -0.23 0.31 -0.21 1.15 -0.57 0.00 0.00 179.45 179.90 3df2 h THR 55 N 0.00 0.56 -3.09 -0.16 2.02 0.47 -3.24 112.91 109.47 3df2 h THR 55 Ca -0.00 -0.24 -0.32 0.00 0.77 0.00 0.00 66.41 66.62 3df2 h THR 55 Cb 0.56 0.68 0.15 0.00 -1.74 0.00 0.00 68.15 67.80 3df2 h THR 55 CO 0.04 0.04 0.16 0.18 0.37 0.00 0.00 175.52 176.32 3df2 n LEU 56 N -5.28 0.00 0.00 2.58 7.99 0.33 -3.18 117.00 119.43 3df2 n LEU 56 Ca -0.11 -0.97 0.00 0.00 -0.01 0.00 0.00 56.01 54.92 3df2 n LEU 56 Cb 0.28 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 42.81 3df2 n LEU 56 CO 0.34 -1.70 0.00 -0.11 -1.51 0.00 0.00 177.39 174.41 3df2 n LEU 57 N 0.00 0.00 0.00 2.23 7.94 -1.23 -4.53 117.00 121.41 3df2 n LEU 57 Ca 0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 3df2 n LEU 57 Cb 0.45 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.40 3df2 n LEU 57 CO 0.32 0.00 0.06 -3.20 -1.11 0.00 0.00 177.39 173.46 3df2 n ASN 58 N 0.73 0.00 -0.29 1.96 4.05 -1.19 -3.09 115.26 117.43 3df2 n ASN 58 Ca 0.00 0.13 0.34 0.00 0.45 0.00 0.00 54.58 55.50 3df2 n ASN 58 Cb 0.00 0.00 0.71 0.00 1.23 0.00 0.00 39.78 41.72 3df2 n ASN 58 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 3df2 h GLU 59 N 0.00 0.00 -0.47 1.20 -0.00 -1.79 0.36 114.58 113.88 3df2 h GLU 59 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 59.36 59.46 3df2 h GLU 59 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 28.66 3df2 h GLU 59 CO 0.00 0.00 -0.17 0.87 -0.00 0.00 0.00 179.01 179.71 3df2 h LYS 60 N 0.00 -0.06 -6.23 1.06 1.79 -1.85 -3.41 116.57 107.88 3df2 h LYS 60 Ca 0.54 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 58.32 3df2 h LYS 60 Cb 2.40 0.01 0.05 0.00 -1.58 0.00 0.00 32.23 33.12 3df2 h LYS 60 CO -0.01 -0.04 0.40 0.00 -1.08 0.00 0.00 179.45 178.72 3df2 n ALA 61 N -2.89 -1.38 0.00 3.86 0.00 0.13 -4.71 120.51 115.51 3df2 n ALA 61 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.01 3df2 n ALA 61 Cb 0.28 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3df2 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df2 n GLY 62 N 2.38 -0.43 0.00 0.00 0.00 -1.26 -5.04 105.19 100.83 3df2 n GLY 62 Ca 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3df2 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32