#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s MET 2 N 0.00 1.47 0.21 4.33 0.00 -1.26 -4.62 119.30 119.44 3df1 s MET 2 Ca 0.00 -0.06 0.23 0.00 0.00 0.00 0.00 55.69 55.86 3df1 s MET 2 Cb 0.00 -4.91 0.07 0.00 0.00 0.00 0.00 34.83 29.99 3df1 s MET 2 CO 0.00 -4.89 1.13 1.96 0.00 0.00 0.00 175.02 173.21 3df1 h GLN 3 N 11.98 0.00 -3.01 4.11 4.20 -2.07 -3.42 115.11 126.89 3df1 h GLN 3 Ca 0.02 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.18 3df1 h GLN 3 Cb 1.00 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.38 3df1 h GLN 3 CO 1.03 0.00 -0.77 0.34 -0.67 0.00 0.00 178.83 178.75 3df1 s ASP 4 N -5.28 3.67 0.17 1.46 3.68 -1.26 -5.00 116.67 114.11 3df1 s ASP 4 Ca 0.01 -1.45 -0.06 0.00 2.13 0.00 0.00 52.55 53.18 3df1 s ASP 4 Cb 0.10 -0.52 0.06 0.00 -1.45 0.00 0.00 42.92 41.11 3df1 s ASP 4 CO 0.77 -0.43 1.49 1.55 0.13 0.00 0.00 175.17 178.69 3df1 h PRO 5 N 8.24 0.69 0.21 4.34 0.13 -1.99 -3.31 132.00 140.31 3df1 h PRO 5 Ca -0.17 -0.41 0.01 0.00 -0.87 0.00 0.00 66.00 64.56 3df1 h PRO 5 Cb 1.01 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 3df1 h PRO 5 CO 0.44 1.03 -0.47 0.82 -0.23 0.00 0.00 178.00 179.59 3df1 h ILE 6 N 0.54 0.08 -0.75 -3.56 1.08 -2.00 -2.61 117.51 110.28 3df1 h ILE 6 Ca 0.02 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.65 3df1 h ILE 6 Cb 1.06 0.08 -0.14 0.00 -3.07 0.00 0.00 36.82 34.75 3df1 h ILE 6 CO 0.10 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 177.44 3df1 h ALA 7 N -0.45 0.59 -0.60 1.87 0.00 -1.96 -0.69 119.26 118.02 3df1 h ALA 7 Ca -0.01 0.28 0.12 0.00 0.00 0.00 0.00 54.91 55.30 3df1 h ALA 7 Cb 0.75 0.52 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 3df1 h ALA 7 CO -0.21 -0.42 -0.21 0.22 0.00 0.00 0.00 179.25 178.63 3df1 h ASP 8 N 0.03 -0.74 -0.22 0.00 1.82 -1.55 0.70 116.42 116.46 3df1 h ASP 8 Ca 0.38 0.20 0.05 0.00 -0.39 0.00 0.00 57.03 57.27 3df1 h ASP 8 Cb 0.61 0.43 -0.05 0.00 0.68 0.00 0.00 39.33 41.00 3df1 h ASP 8 CO -0.74 -0.24 -0.12 -0.03 -1.61 0.00 0.00 179.24 176.51 3df1 h MET 9 N -0.06 -0.10 0.36 0.28 4.05 -1.04 0.80 114.93 119.22 3df1 h MET 9 Ca 0.28 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3df1 h MET 9 Cb 0.49 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 3df1 h MET 9 CO -0.64 -0.06 -0.17 -0.07 0.23 0.00 0.00 176.91 176.19 3df1 h LEU 10 N -0.10 -0.41 -0.23 3.39 3.38 -0.76 -1.42 115.31 119.17 3df1 h LEU 10 Ca 0.12 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3df1 h LEU 10 Cb 0.28 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3df1 h LEU 10 CO -0.28 -0.29 -0.05 0.71 0.09 0.00 0.00 178.44 178.61 3df1 h THR 11 N -0.48 0.78 -0.62 0.22 1.35 0.72 -1.93 112.91 112.95 3df1 h THR 11 Ca -0.05 -0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.93 3df1 h THR 11 Cb 0.37 0.77 -0.09 0.00 -1.73 0.00 0.00 68.15 67.47 3df1 h THR 11 CO 0.08 0.00 0.13 0.03 -0.25 0.00 0.00 175.52 175.51 3df1 h ARG 12 N 0.01 0.24 0.79 4.72 2.47 0.76 -1.64 114.38 121.74 3df1 h ARG 12 Ca 0.11 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.78 3df1 h ARG 12 Cb 0.17 -0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3df1 h ARG 12 CO -0.23 0.16 -0.41 0.82 0.56 0.00 0.00 179.97 180.87 3df1 h ILE 13 N 0.25 0.00 -0.88 2.04 2.04 -0.53 -1.67 117.51 118.77 3df1 h ILE 13 Ca 0.33 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.34 3df1 h ILE 13 Cb 0.51 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.50 3df1 h ILE 13 CO -0.43 0.00 0.48 0.08 0.00 0.00 0.00 178.15 178.28 3df1 h ARG 14 N -1.10 0.67 -0.72 2.37 0.11 -1.22 -0.17 114.38 114.32 3df1 h ARG 14 Ca -0.11 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.92 3df1 h ARG 14 Cb 0.85 -0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.75 3df1 h ARG 14 CO 0.16 0.44 0.41 -0.91 0.10 0.00 0.00 179.97 180.17 3df1 h ASN 15 N 0.69 0.89 0.78 0.08 2.35 -1.24 -2.47 115.58 116.67 3df1 h ASN 15 Ca 0.47 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 56.09 3df1 h ASN 15 Cb 0.64 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3df1 h ASN 15 CO -0.34 0.72 -0.38 1.23 -1.65 0.00 0.00 177.43 177.01 3df1 h GLY 16 N 0.99 -1.10 -0.36 2.83 0.00 -0.07 -0.34 103.07 105.02 3df1 h GLY 16 Ca 0.26 0.41 0.31 0.00 0.00 0.00 0.00 47.33 48.30 3df1 h GLY 16 CO -0.04 -0.40 0.71 1.46 0.00 0.00 0.00 176.54 178.27 3df1 h GLN 17 N -1.08 0.30 0.00 4.80 1.08 -1.25 1.18 115.11 120.15 3df1 h GLN 17 Ca -0.11 -0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.99 3df1 h GLN 17 Cb 0.81 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.16 3df1 h GLN 17 CO 0.18 0.20 -0.40 0.00 -0.95 0.00 0.00 178.83 177.86 3df1 h ALA 18 N 1.61 0.79 -0.38 3.87 0.00 -1.07 -3.07 119.26 121.01 3df1 h ALA 18 Ca 0.65 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3df1 h ALA 18 Cb 1.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3df1 h ALA 18 CO -0.32 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3df1 n ALA 19 N -2.22 2.44 -1.15 0.00 0.00 0.38 -4.92 120.51 115.03 3df1 n ALA 19 Ca 0.02 -0.89 -0.05 0.00 0.00 0.00 0.00 53.44 52.51 3df1 n ALA 19 Cb 0.64 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.13 3df1 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3df1 n ASN 20 N 1.17 -5.76 -4.73 0.00 3.02 0.54 -4.91 115.26 104.60 3df1 n ASN 20 Ca 0.19 0.13 -0.42 0.00 -0.03 0.00 0.00 54.58 54.45 3df1 n ASN 20 Cb 0.52 -3.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.94 3df1 n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3df1 n LYS 21 N -0.02 2.74 0.00 3.52 4.76 -0.98 -4.93 118.16 123.24 3df1 n LYS 21 Ca -0.05 0.98 0.00 0.00 -2.87 0.00 0.00 58.31 56.37 3df1 n LYS 21 Cb 0.53 -2.80 0.00 0.00 -1.84 0.00 0.00 35.03 30.92 3df1 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3df1 n ALA 22 N 3.26 -0.19 -3.00 7.82 0.00 -1.26 -4.69 120.51 122.45 3df1 n ALA 22 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3df1 n ALA 22 Cb 0.35 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3df1 n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 n ALA 23 N -2.55 0.00 -3.38 0.00 0.00 -1.26 -2.81 120.51 110.50 3df1 n ALA 23 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 3df1 n ALA 23 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3df1 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3df1 s VAL 24 N 0.68 0.02 0.21 0.00 0.11 -0.98 -4.74 120.40 115.69 3df1 s VAL 24 Ca 0.00 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 58.96 3df1 s VAL 24 Cb 0.00 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 3df1 s VAL 24 CO 0.00 -0.08 -0.05 0.42 -3.33 0.00 0.00 175.10 172.07 3df1 s THR 25 N -2.34 1.17 0.00 5.04 -4.23 -1.23 -1.49 115.64 112.56 3df1 s THR 25 Ca -0.06 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3df1 s THR 25 Cb -0.01 -2.18 0.00 0.00 1.34 0.00 0.00 72.50 71.66 3df1 s THR 25 CO -0.01 -0.47 0.00 1.15 -0.54 0.00 0.00 174.62 174.75 3df1 n MET 26 N -0.36 0.00 -1.92 3.99 0.00 -1.23 -4.92 117.12 112.68 3df1 n MET 26 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.30 3df1 n MET 26 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.81 3df1 n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3df1 s PRO 27 N -2.00 2.43 1.30 3.17 0.04 -1.26 -1.79 135.00 136.90 3df1 s PRO 27 Ca 0.00 0.53 -0.19 0.00 0.04 0.00 0.00 61.00 61.38 3df1 s PRO 27 Cb 0.00 -4.62 0.31 0.00 0.04 0.00 0.00 34.50 30.23 3df1 s PRO 27 CO 0.00 -3.13 0.78 -1.13 0.04 0.00 0.00 177.00 173.56 3df1 n SER 28 N 14.10 -3.09 -3.65 6.66 3.41 -1.18 -4.92 113.62 124.95 3df1 n SER 28 Ca 0.30 -0.52 0.01 0.00 -0.26 0.00 0.00 58.87 58.40 3df1 n SER 28 Cb 0.51 -1.06 -0.00 0.00 -0.26 0.00 0.00 64.21 63.39 3df1 n SER 28 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3df1 s SER 29 N -2.59 -0.07 0.00 4.04 1.04 -1.26 -4.79 113.70 110.06 3df1 s SER 29 Ca 0.64 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3df1 s SER 29 Cb -0.16 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3df1 s SER 29 CO 0.58 -0.42 0.70 0.29 0.98 0.00 0.00 173.24 175.38 3df1 n LYS 30 N -0.51 0.00 -0.01 4.02 5.02 -1.26 -1.52 118.16 123.89 3df1 n LYS 30 Ca -0.07 0.70 -0.09 0.00 -2.02 0.00 0.00 58.31 56.82 3df1 n LYS 30 Cb 0.62 -1.16 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 3df1 n LYS 30 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3df1 h LEU 31 N 0.00 -0.15 -0.78 -0.35 5.85 -1.98 -2.21 115.31 115.69 3df1 h LEU 31 Ca 0.00 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.88 3df1 h LEU 31 Cb 0.00 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.00 3df1 h LEU 31 CO 0.00 -0.06 -0.43 0.11 -0.34 0.00 0.00 178.44 177.73 3df1 h LYS 32 N -0.01 -0.11 0.41 1.25 1.57 -1.86 0.23 116.57 118.05 3df1 h LYS 32 Ca 0.07 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 3df1 h LYS 32 Cb 0.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3df1 h LYS 32 CO -0.15 -0.07 -0.20 0.28 -0.57 0.00 0.00 179.45 178.74 3df1 h VAL 33 N -0.11 0.60 -0.84 0.50 2.07 -1.15 -2.06 116.25 115.26 3df1 h VAL 33 Ca 0.24 -0.20 0.21 0.00 0.82 0.00 0.00 66.70 67.77 3df1 h VAL 33 Cb 0.55 0.70 -0.14 0.00 -1.52 0.00 0.00 31.29 30.88 3df1 h VAL 33 CO -0.83 0.04 0.14 0.00 0.02 0.00 0.00 177.57 176.94 3df1 h ALA 34 N -0.12 1.07 -0.34 1.67 0.00 -0.65 0.30 119.26 121.19 3df1 h ALA 34 Ca -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3df1 h ALA 34 Cb 0.48 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3df1 h ALA 34 CO 0.09 -0.45 0.16 0.82 0.00 0.00 0.00 179.25 179.87 3df1 h ILE 35 N 0.16 1.17 -0.80 0.00 2.04 -0.44 -2.56 117.51 117.07 3df1 h ILE 35 Ca 0.50 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3df1 h ILE 35 Cb 0.96 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3df1 h ILE 35 CO -0.67 0.18 0.53 0.00 0.00 0.00 0.00 178.15 178.18 3df1 h ALA 36 N 1.01 1.52 -0.24 1.87 0.00 0.19 -0.82 119.26 122.79 3df1 h ALA 36 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3df1 h ALA 36 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3df1 h ALA 36 CO -0.01 0.40 0.16 -0.97 0.00 0.00 0.00 179.25 178.83 3df1 h ASN 37 N 0.98 0.21 -0.33 0.00 -0.73 -0.40 0.07 115.58 115.39 3df1 h ASN 37 Ca 0.32 -0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.33 3df1 h ASN 37 Cb 0.05 -0.05 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 3df1 h ASN 37 CO -0.09 0.15 -0.39 0.58 -0.37 0.00 0.00 177.43 177.30 3df1 h VAL 38 N 0.25 1.28 0.00 2.57 2.07 -1.00 0.58 116.25 122.00 3df1 h VAL 38 Ca 0.10 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 3df1 h VAL 38 Cb 0.08 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3df1 h VAL 38 CO -0.02 0.52 -0.23 -0.07 0.02 0.00 0.00 177.57 177.78 3df1 h LEU 39 N 0.64 0.00 0.01 2.57 3.38 -0.89 -2.53 115.31 118.48 3df1 h LEU 39 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3df1 h LEU 39 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3df1 h LEU 39 CO 0.09 0.23 -0.00 0.50 0.09 0.00 0.00 178.44 179.36 3df1 h LYS 40 N 0.00 -0.01 0.00 1.13 3.64 -0.72 -2.24 116.57 118.37 3df1 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3df1 h LYS 40 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3df1 h LYS 40 CO 0.03 0.21 0.00 0.39 -2.27 0.00 0.00 179.45 177.81 3df1 n GLU 41 N -4.75 0.43 -0.02 1.90 1.02 0.17 -3.00 120.64 116.39 3df1 n GLU 41 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.09 3df1 n GLU 41 Cb 0.11 -1.12 -0.01 0.00 -0.02 0.00 0.00 31.44 30.39 3df1 n GLU 41 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3df1 n GLU 42 N -0.62 0.08 0.00 3.49 -0.58 -0.96 -5.04 120.64 117.00 3df1 n GLU 42 Ca 0.03 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 3df1 n GLU 42 Cb 0.01 -0.88 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 3df1 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3df1 n GLY 43 N 3.12 0.80 0.00 0.62 0.00 -0.97 -5.07 105.19 103.69 3df1 n GLY 43 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3df1 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3df1 n PHE 44 N 0.00 0.00 -3.95 1.61 3.72 -0.88 -4.96 117.46 112.99 3df1 n PHE 44 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 3df1 n PHE 44 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3df1 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3df1 s ILE 45 N -0.12 0.10 0.15 4.37 -5.25 -1.24 -3.27 121.20 115.94 3df1 s ILE 45 Ca 0.00 -0.81 -0.20 0.00 -0.99 0.00 0.00 60.65 58.65 3df1 s ILE 45 Cb 0.00 -0.28 0.04 0.00 2.95 0.00 0.00 42.46 45.17 3df1 s ILE 45 CO 0.00 -0.44 1.65 -0.33 -1.79 0.00 0.00 174.94 174.03 3df1 h GLU 46 N 4.67 -0.13 0.00 0.37 4.39 -1.20 -3.44 114.58 119.24 3df1 h GLU 46 Ca -0.31 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.40 3df1 h GLU 46 Cb 1.21 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3df1 h GLU 46 CO 0.41 -0.09 0.00 -3.47 -1.16 0.00 0.00 179.01 174.71 3df1 n ASP 47 N -5.33 -0.00 -3.52 1.42 2.03 -1.20 -5.03 116.55 104.91 3df1 n ASP 47 Ca -0.00 -1.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.18 3df1 n ASP 47 Cb 0.24 0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 3df1 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3df1 s PHE 48 N -2.92 -0.46 0.02 -0.67 -0.71 -1.26 -1.19 117.98 110.79 3df1 s PHE 48 Ca 0.00 0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 56.08 3df1 s PHE 48 Cb -0.00 0.42 0.05 0.00 -1.21 0.00 0.00 43.02 42.28 3df1 s PHE 48 CO -0.00 -0.73 0.50 0.21 -1.34 0.00 0.00 175.22 173.86 3df1 s LYS 49 N -3.00 0.97 -0.44 1.99 2.47 -1.20 -4.92 119.74 115.61 3df1 s LYS 49 Ca -0.02 -0.17 -0.07 0.00 -1.56 0.00 0.00 55.97 54.15 3df1 s LYS 49 Cb -0.00 0.44 0.11 0.00 -1.46 0.00 0.00 37.83 36.92 3df1 s LYS 49 CO -0.06 -0.33 0.29 0.54 0.16 0.00 0.00 175.35 175.95 3df1 s VAL 50 N -2.08 3.90 0.65 4.02 0.11 -1.26 0.11 120.40 125.85 3df1 s VAL 50 Ca -0.07 -1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 57.07 3df1 s VAL 50 Cb -0.01 -3.58 0.14 0.00 -1.53 0.00 0.00 36.38 31.40 3df1 s VAL 50 CO 0.01 -0.72 0.88 1.21 -3.33 0.00 0.00 175.10 173.15 3df1 n GLU 51 N 4.80 -0.49 -0.63 1.54 2.13 -1.23 -4.83 120.64 121.94 3df1 n GLU 51 Ca -0.06 -1.77 0.02 0.00 0.66 0.00 0.00 57.16 56.01 3df1 n GLU 51 Cb 0.41 -0.78 -0.01 0.00 0.27 0.00 0.00 31.44 31.33 3df1 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3df1 n GLY 52 N -1.16 -3.20 0.40 8.31 0.00 -1.26 -1.58 105.19 106.70 3df1 n GLY 52 Ca 0.12 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.93 3df1 n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3df1 n ASP 53 N -2.28 1.35 -0.00 1.61 8.00 -1.26 -4.75 116.55 119.22 3df1 n ASP 53 Ca -0.01 0.22 -0.09 0.00 0.71 0.00 0.00 54.79 55.62 3df1 n ASP 53 Cb 0.23 -0.55 -0.14 0.00 -0.02 0.00 0.00 41.12 40.64 3df1 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3df1 h THR 54 N -0.54 1.03 -3.68 -3.53 1.03 -2.04 -3.43 112.91 101.75 3df1 h THR 54 Ca 0.00 -2.85 -0.69 0.00 -0.01 0.00 0.00 66.41 62.86 3df1 h THR 54 Cb 0.54 2.52 -0.31 0.00 -1.07 0.00 0.00 68.15 69.83 3df1 h THR 54 CO 0.00 0.61 -0.63 -0.54 -0.01 0.00 0.00 175.52 174.95 3df1 s LYS 55 N -2.62 2.50 0.21 0.00 -0.14 -1.26 -5.09 119.74 113.34 3df1 s LYS 55 Ca -0.04 -1.28 -0.31 0.00 -1.36 0.00 0.00 55.97 52.98 3df1 s LYS 55 Cb 0.08 -3.38 -0.10 0.00 -1.68 0.00 0.00 37.83 32.75 3df1 s LYS 55 CO 0.82 -0.70 1.47 -1.25 -0.76 0.00 0.00 175.35 174.94 3df1 s PRO 56 N 1.33 4.26 0.41 -1.68 0.04 -1.26 -4.19 135.00 133.90 3df1 s PRO 56 Ca -0.02 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3df1 s PRO 56 Cb -0.20 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3df1 s PRO 56 CO 0.01 -0.48 0.01 -1.91 0.04 0.00 0.00 177.00 174.67 3df1 n GLU 57 N 2.94 1.00 -3.16 4.56 4.07 -0.61 -3.11 120.64 126.33 3df1 n GLU 57 Ca 0.09 -2.99 0.04 0.00 -0.06 0.00 0.00 57.16 54.24 3df1 n GLU 57 Cb 0.40 0.79 -0.01 0.00 -0.06 0.00 0.00 31.44 32.55 3df1 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 3df1 s LEU 58 N 0.00 -1.38 -1.26 4.31 0.20 -0.74 -3.53 118.68 116.29 3df1 s LEU 58 Ca 0.01 0.88 -0.06 0.00 0.69 0.00 0.00 54.13 55.65 3df1 s LEU 58 Cb -0.00 2.16 0.09 0.00 -0.43 0.00 0.00 46.19 48.01 3df1 s LEU 58 CO 0.00 -0.26 2.49 -0.62 -0.29 0.00 0.00 176.35 177.67 3df1 n GLU 59 N 5.43 4.30 -2.06 1.98 4.71 0.31 -3.50 120.64 131.80 3df1 n GLU 59 Ca -0.01 -3.22 -0.28 0.00 -0.01 0.00 0.00 57.16 53.64 3df1 n GLU 59 Cb 0.51 -2.59 -0.06 0.00 -1.01 0.00 0.00 31.44 28.29 3df1 n GLU 59 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3df1 s LEU 60 N -1.91 3.08 -0.15 -4.62 2.96 -0.56 -3.20 118.68 114.29 3df1 s LEU 60 Ca 0.56 -1.41 -0.29 0.00 -0.22 0.00 0.00 54.13 52.77 3df1 s LEU 60 Cb 0.20 -2.58 -0.05 0.00 0.50 0.00 0.00 46.19 44.26 3df1 s LEU 60 CO -0.10 -3.00 1.86 0.42 -1.32 0.00 0.00 176.35 174.21 3df1 s THR 61 N 10.79 3.35 0.43 3.68 -4.23 -0.33 -2.32 115.64 127.01 3df1 s THR 61 Ca 0.69 0.39 -0.24 0.00 -1.18 0.00 0.00 61.69 61.36 3df1 s THR 61 Cb -0.02 -3.35 -0.08 0.00 1.34 0.00 0.00 72.50 70.39 3df1 s THR 61 CO 0.10 -0.14 1.12 -0.76 -0.54 0.00 0.00 174.62 174.40 3df1 s LEU 62 N 5.73 4.08 0.15 4.79 1.02 -1.13 -0.97 118.68 132.36 3df1 s LEU 62 Ca 0.83 2.21 0.06 0.00 0.02 0.00 0.00 54.13 57.25 3df1 s LEU 62 Cb -0.32 -4.20 -0.04 0.00 0.02 0.00 0.00 46.19 41.66 3df1 s LEU 62 CO 0.34 -0.74 0.07 -0.75 0.02 0.00 0.00 176.35 175.29 3df1 s LYS 63 N -2.58 2.69 0.28 1.70 2.20 -1.20 -4.07 119.74 118.76 3df1 s LYS 63 Ca 0.61 -0.93 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3df1 s LYS 63 Cb -0.26 -2.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 3df1 s LYS 63 CO 0.33 0.49 0.11 0.71 -0.36 0.00 0.00 175.35 176.63 3df1 s TYR 64 N -1.66 1.60 0.00 4.03 1.51 -1.26 -2.74 117.35 118.83 3df1 s TYR 64 Ca 0.29 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.13 3df1 s TYR 64 Cb -0.10 -0.93 0.00 0.00 -0.11 0.00 0.00 41.96 40.82 3df1 s TYR 64 CO 0.21 -0.36 0.00 0.34 -1.11 0.00 0.00 175.55 174.64 3df1 n PHE 65 N -0.54 0.00 0.00 2.71 7.35 -0.84 -4.73 117.46 121.42 3df1 n PHE 65 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3df1 n PHE 65 Cb 0.66 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.49 3df1 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3df1 n GLN 66 N 0.00 0.52 -0.95 -4.13 6.02 -1.26 -4.63 117.38 112.95 3df1 n GLN 66 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 3df1 n GLN 66 Cb 0.00 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.10 3df1 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3df1 n GLY 67 N 3.09 2.90 3.60 1.08 0.00 -1.26 -4.74 105.19 109.85 3df1 n GLY 67 Ca 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 3df1 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3df1 s LYS 68 N 1.13 0.30 0.47 1.61 2.47 -1.26 -5.17 119.74 119.29 3df1 s LYS 68 Ca 0.63 -0.11 -0.08 0.00 -1.56 0.00 0.00 55.97 54.85 3df1 s LYS 68 Cb 0.30 0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.76 3df1 s LYS 68 CO -0.00 -0.13 0.81 0.00 0.16 0.00 0.00 175.35 176.19 3df1 s ALA 69 N -2.41 3.34 0.00 3.13 0.00 -1.26 -1.98 121.76 122.58 3df1 s ALA 69 Ca 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.73 3df1 s ALA 69 Cb -0.01 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3df1 s ALA 69 CO -0.05 -0.26 0.46 0.28 0.00 0.00 0.00 175.76 176.19 3df1 n VAL 70 N -1.95 0.00 -1.51 0.00 0.31 -1.11 -4.52 118.33 109.55 3df1 n VAL 70 Ca 0.02 0.92 -0.43 0.00 -0.01 0.00 0.00 64.34 64.84 3df1 n VAL 70 Cb 0.55 -1.84 -0.07 0.00 -0.91 0.00 0.00 33.84 31.57 3df1 n VAL 70 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3df1 n VAL 71 N -0.50 0.07 0.90 2.52 0.31 -1.26 -4.76 118.33 115.61 3df1 n VAL 71 Ca 0.00 -0.43 0.10 0.00 -0.01 0.00 0.00 64.34 64.00 3df1 n VAL 71 Cb 0.00 -1.95 -0.12 0.00 -0.91 0.00 0.00 33.84 30.85 3df1 n VAL 71 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3df1 n GLU 72 N 8.60 0.12 -3.35 5.55 0.00 -1.26 -4.89 120.64 125.41 3df1 n GLU 72 Ca 0.43 -0.02 0.02 0.00 0.00 0.00 0.00 57.16 57.59 3df1 n GLU 72 Cb 0.33 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.25 3df1 n GLU 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3df1 s SER 73 N -3.12 -1.25 -0.20 -1.84 0.15 -1.26 -5.07 113.70 101.11 3df1 s SER 73 Ca 0.07 1.13 -0.04 0.00 0.70 0.00 0.00 55.95 57.80 3df1 s SER 73 Cb 0.16 2.19 0.10 0.00 -1.71 0.00 0.00 66.02 66.76 3df1 s SER 73 CO 0.87 -0.24 0.28 -0.51 1.20 0.00 0.00 173.24 174.84 3df1 s ILE 74 N 2.87 -0.43 0.26 6.45 2.07 -1.26 -0.80 121.20 130.35 3df1 s ILE 74 Ca 0.10 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.36 3df1 s ILE 74 Cb -0.14 -0.67 -0.05 0.00 0.13 0.00 0.00 42.46 41.73 3df1 s ILE 74 CO -0.20 -0.10 0.04 -1.10 -1.91 0.00 0.00 174.94 171.67 3df1 s GLN 75 N 2.42 1.43 0.65 3.50 1.11 -1.26 -4.86 119.66 122.64 3df1 s GLN 75 Ca 0.07 -1.76 -0.10 0.00 0.01 0.00 0.00 55.36 53.59 3df1 s GLN 75 Cb -0.15 -0.58 -0.00 0.00 -1.01 0.00 0.00 33.01 31.27 3df1 s GLN 75 CO -0.12 -0.17 1.02 0.50 0.01 0.00 0.00 175.29 176.52 3df1 s ARG 76 N -3.92 3.08 0.00 2.91 6.06 -1.26 -2.41 118.95 123.41 3df1 s ARG 76 Ca 0.33 0.40 0.00 0.00 -2.50 0.00 0.00 55.73 53.96 3df1 s ARG 76 Cb 0.07 -2.11 0.00 0.00 0.06 0.00 0.00 34.95 32.97 3df1 s ARG 76 CO 0.12 -0.81 0.00 0.28 -2.50 0.00 0.00 175.30 172.39 3df1 n VAL 77 N -2.81 0.00 -0.07 7.11 0.31 -1.07 -4.75 118.33 117.05 3df1 n VAL 77 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3df1 n VAL 77 Cb 0.56 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3df1 n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3df1 n SER 78 N -2.04 3.29 -4.28 4.52 2.88 -1.26 -4.77 113.62 111.97 3df1 n SER 78 Ca 0.00 -1.83 -0.37 0.00 -1.33 0.00 0.00 58.87 55.34 3df1 n SER 78 Cb 0.00 -0.67 0.04 0.00 -0.75 0.00 0.00 64.21 62.83 3df1 n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3df1 n ARG 79 N 1.38 0.11 -0.81 -1.46 1.85 -1.26 -4.46 116.66 112.01 3df1 n ARG 79 Ca 0.00 0.05 -0.28 0.00 -1.00 0.00 0.00 57.85 56.62 3df1 n ARG 79 Cb 0.35 -1.33 0.23 0.00 -1.05 0.00 0.00 32.46 30.66 3df1 n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3df1 s PRO 80 N -1.94 -0.61 -0.44 2.89 0.04 -1.26 -2.42 135.00 131.26 3df1 s PRO 80 Ca 0.56 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.19 3df1 s PRO 80 Cb -0.36 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.57 3df1 s PRO 80 CO 0.67 -3.45 0.00 0.41 0.04 0.00 0.00 177.00 174.67 3df1 n GLY 81 N -0.02 0.40 2.53 0.56 0.00 -1.26 -4.49 105.19 102.91 3df1 n GLY 81 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3df1 n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3df1 n LEU 82 N -0.53 -1.12 -4.75 0.99 -0.00 -1.16 -5.15 117.00 105.27 3df1 n LEU 82 Ca -0.04 -1.99 -0.40 0.00 -0.00 0.00 0.00 56.01 53.57 3df1 n LEU 82 Cb 0.43 0.72 0.01 0.00 -0.00 0.00 0.00 43.42 44.58 3df1 n LEU 82 CO 0.06 1.25 1.05 0.54 -0.00 0.00 0.00 177.39 180.30 3df1 n ARG 83 N -0.52 2.29 -4.03 1.96 5.12 -1.02 -4.27 116.66 116.20 3df1 n ARG 83 Ca -0.21 0.81 -0.31 0.00 -1.93 0.00 0.00 57.85 56.22 3df1 n ARG 83 Cb 0.67 -2.60 -0.16 0.00 -1.16 0.00 0.00 32.46 29.21 3df1 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3df1 s ILE 84 N -1.17 1.69 -0.14 0.55 1.01 -1.26 -5.01 121.20 116.86 3df1 s ILE 84 Ca 0.59 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.48 3df1 s ILE 84 Cb -0.47 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3df1 s ILE 84 CO 0.59 0.40 -0.22 -0.31 0.00 0.00 0.00 174.94 175.40 3df1 s TYR 85 N 1.42 2.67 0.17 3.97 1.51 -1.26 -3.19 117.35 122.64 3df1 s TYR 85 Ca 0.03 -1.31 0.08 0.00 -1.01 0.00 0.00 57.07 54.86 3df1 s TYR 85 Cb -0.14 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3df1 s TYR 85 CO -0.10 -0.59 -0.16 0.15 -1.11 0.00 0.00 175.55 173.73 3df1 s LYS 86 N 0.78 1.24 0.79 -0.62 1.02 -1.25 -5.00 119.74 116.70 3df1 s LYS 86 Ca -0.08 -1.42 -0.09 0.00 0.02 0.00 0.00 55.97 54.40 3df1 s LYS 86 Cb -0.16 -1.19 0.10 0.00 -0.52 0.00 0.00 37.83 36.06 3df1 s LYS 86 CO -0.01 0.23 1.12 1.03 -0.92 0.00 0.00 175.35 176.80 3df1 s ARG 87 N -3.00 1.74 0.12 1.68 0.52 -1.26 -2.01 118.95 116.74 3df1 s ARG 87 Ca 0.16 -0.28 -0.33 0.00 -0.52 0.00 0.00 55.73 54.76 3df1 s ARG 87 Cb -0.04 -2.06 -0.12 0.00 0.52 0.00 0.00 34.95 33.25 3df1 s ARG 87 CO 0.06 -1.61 1.56 1.57 0.02 0.00 0.00 175.30 176.90 3df1 h LYS 88 N -0.94 -0.59 0.00 3.54 2.10 -1.91 0.28 116.57 119.05 3df1 h LYS 88 Ca -0.44 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3df1 h LYS 88 Cb 1.30 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.76 3df1 h LYS 88 CO 0.55 -0.39 0.00 -0.40 -2.00 0.00 0.00 179.45 177.21 3df1 n ASP 89 N -5.45 0.00 -0.75 7.07 5.68 -1.26 -2.67 116.55 119.17 3df1 n ASP 89 Ca -0.06 -1.15 0.07 0.00 -0.50 0.00 0.00 54.79 53.15 3df1 n ASP 89 Cb 0.39 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.59 3df1 n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3df1 n GLU 90 N -0.82 2.37 -3.33 0.11 1.02 0.90 -5.00 120.64 115.89 3df1 n GLU 90 Ca 0.13 -2.85 -0.38 0.00 -0.02 0.00 0.00 57.16 54.04 3df1 n GLU 90 Cb 0.06 -1.76 -0.06 0.00 -0.02 0.00 0.00 31.44 29.65 3df1 n GLU 90 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3df1 s LEU 91 N -2.92 4.30 1.13 -4.62 1.43 -0.74 -4.30 118.68 112.95 3df1 s LEU 91 Ca 0.40 0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 54.19 3df1 s LEU 91 Cb 0.34 -2.68 0.25 0.00 0.03 0.00 0.00 46.19 44.13 3df1 s LEU 91 CO 0.06 0.04 1.06 -2.16 0.23 0.00 0.00 176.35 175.58 3df1 s PRO 92 N 0.43 -0.60 -0.50 1.29 0.04 -1.26 -5.03 135.00 129.38 3df1 s PRO 92 Ca 0.26 0.46 0.03 0.00 0.04 0.00 0.00 61.00 61.78 3df1 s PRO 92 Cb -0.15 -1.62 0.15 0.00 0.04 0.00 0.00 34.50 32.91 3df1 s PRO 92 CO 0.11 -3.41 0.32 0.21 0.04 0.00 0.00 177.00 174.26 3df1 s LYS 93 N -4.89 1.50 -0.11 4.56 2.20 -1.26 -4.90 119.74 116.84 3df1 s LYS 93 Ca 0.67 -2.35 -0.37 0.00 -0.36 0.00 0.00 55.97 53.56 3df1 s LYS 93 Cb -0.19 -2.44 -0.15 0.00 -1.51 0.00 0.00 37.83 33.55 3df1 s LYS 93 CO 0.60 -1.23 1.66 0.28 -0.36 0.00 0.00 175.35 176.30 3df1 n VAL 94 N 3.04 0.26 -4.08 4.02 0.31 -1.26 -2.36 118.33 118.27 3df1 n VAL 94 Ca 0.15 -0.05 -0.32 0.00 -0.01 0.00 0.00 64.34 64.11 3df1 n VAL 94 Cb 0.37 -1.30 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 3df1 n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3df1 n MET 95 N 4.79 -1.61 -2.03 5.55 0.00 -1.26 -0.47 117.12 122.09 3df1 n MET 95 Ca 0.23 0.23 -0.06 0.00 -0.00 0.00 0.00 57.70 58.10 3df1 n MET 95 Cb 0.19 -3.74 -0.01 0.00 0.00 0.00 0.00 33.22 29.66 3df1 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3df1 n ALA 96 N -4.58 -0.62 0.00 -5.12 0.00 -1.00 -0.07 120.51 109.13 3df1 n ALA 96 Ca -0.25 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3df1 n ALA 96 Cb 0.66 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.18 3df1 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 97 N -0.47 2.50 0.37 0.00 0.00 0.38 -4.90 105.19 103.07 3df1 n GLY 97 Ca -0.07 -0.57 0.18 0.00 0.00 0.00 0.00 46.02 45.56 3df1 n GLY 97 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3df1 h LEU 98 N 0.00 0.09 0.00 0.99 3.38 -0.54 -3.42 115.31 115.81 3df1 h LEU 98 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3df1 h LEU 98 Cb 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3df1 h LEU 98 CO 0.00 0.05 -0.00 0.61 0.09 0.00 0.00 178.44 179.18 3df1 n GLY 99 N -1.61 2.40 3.14 0.83 0.00 -0.88 -4.99 105.19 104.08 3df1 n GLY 99 Ca 0.10 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 3df1 n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3df1 s ILE 100 N 0.50 0.16 -0.28 -0.61 -5.25 -1.05 -4.65 121.20 110.02 3df1 s ILE 100 Ca 0.01 -1.31 0.01 0.00 -0.99 0.00 0.00 60.65 58.37 3df1 s ILE 100 Cb -0.00 -1.21 0.08 0.00 2.95 0.00 0.00 42.46 44.28 3df1 s ILE 100 CO 0.01 -0.72 0.03 0.00 -1.79 0.00 0.00 174.94 172.46 3df1 s ALA 101 N -3.38 1.92 -0.13 2.27 0.00 -1.26 -2.48 121.76 118.71 3df1 s ALA 101 Ca 0.02 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 3df1 s ALA 101 Cb 0.03 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.52 3df1 s ALA 101 CO -0.08 -1.46 1.77 0.08 0.00 0.00 0.00 175.76 176.07 3df1 s VAL 102 N 1.41 3.45 -0.02 0.00 1.01 -1.04 -1.25 120.40 123.96 3df1 s VAL 102 Ca 0.03 0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.60 3df1 s VAL 102 Cb -0.18 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3df1 s VAL 102 CO -0.13 -0.14 -0.23 -0.69 0.00 0.00 0.00 175.10 173.91 3df1 s VAL 103 N 5.16 1.79 -0.54 2.92 1.01 -0.78 -0.66 120.40 129.30 3df1 s VAL 103 Ca 0.79 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.60 3df1 s VAL 103 Cb -0.32 -1.49 0.06 0.00 0.00 0.00 0.00 36.38 34.63 3df1 s VAL 103 CO 0.32 0.51 0.75 -0.55 0.00 0.00 0.00 175.10 176.13 3df1 s SER 104 N -0.46 6.25 0.42 3.32 0.15 0.16 -1.36 113.70 122.18 3df1 s SER 104 Ca 0.07 -0.81 0.08 0.00 0.70 0.00 0.00 55.95 55.99 3df1 s SER 104 Cb -0.09 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3df1 s SER 104 CO -0.00 -1.06 0.52 0.42 1.20 0.00 0.00 173.24 174.31 3df1 s THR 105 N 3.14 2.95 -1.23 6.45 -4.23 -0.78 -1.79 115.64 120.16 3df1 s THR 105 Ca 0.20 -1.09 0.11 0.00 -1.18 0.00 0.00 61.69 59.72 3df1 s THR 105 Cb -0.18 -3.01 0.14 0.00 1.34 0.00 0.00 72.50 70.79 3df1 s THR 105 CO 0.13 -0.01 1.29 -0.24 -0.54 0.00 0.00 174.62 175.25 3df1 n SER 106 N -1.76 0.00 -0.11 3.99 2.88 -1.26 -2.14 113.62 115.22 3df1 n SER 106 Ca 0.07 0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 3df1 n SER 106 Cb 0.60 -0.39 -0.14 0.00 -0.75 0.00 0.00 64.21 63.54 3df1 n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3df1 n LYS 107 N -1.39 0.76 0.00 -1.46 4.76 -1.26 -5.10 118.16 114.48 3df1 n LYS 107 Ca 0.04 0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3df1 n LYS 107 Cb 0.10 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 3df1 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3df1 n GLY 108 N 2.02 1.03 3.52 0.72 0.00 -0.91 -5.02 105.19 106.55 3df1 n GLY 108 Ca -0.36 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 3df1 n GLY 108 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3df1 n VAL 109 N -0.88 2.57 -1.07 1.61 0.31 -1.26 -1.86 118.33 117.75 3df1 n VAL 109 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 64.34 61.70 3df1 n VAL 109 Cb 0.00 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 3df1 n VAL 109 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3df1 n MET 110 N 8.15 0.96 -4.44 5.55 2.00 -0.46 -4.82 117.12 124.05 3df1 n MET 110 Ca 0.47 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.92 3df1 n MET 110 Cb 0.46 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.57 3df1 n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3df1 s THR 111 N 0.10 2.37 0.03 2.03 -4.23 -1.26 -1.87 115.64 112.82 3df1 s THR 111 Ca 0.00 -2.27 -0.06 0.00 -1.18 0.00 0.00 61.69 58.18 3df1 s THR 111 Cb 0.00 -2.22 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 3df1 s THR 111 CO 0.00 -0.33 1.03 -0.90 -0.54 0.00 0.00 174.62 173.88 3df1 n ASP 112 N -0.32 -0.21 -0.20 3.99 5.75 -0.38 -0.73 116.55 124.46 3df1 n ASP 112 Ca -0.08 1.07 0.00 0.00 -0.01 0.00 0.00 54.79 55.78 3df1 n ASP 112 Cb 0.59 -0.41 0.11 0.00 -1.03 0.00 0.00 41.12 40.38 3df1 n ASP 112 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3df1 h ARG 113 N 0.00 0.32 0.00 0.11 1.12 -1.90 -1.04 114.38 112.98 3df1 h ARG 113 Ca 0.03 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3df1 h ARG 113 Cb 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 3df1 h ARG 113 CO -0.19 0.21 0.00 0.00 -3.11 0.00 0.00 179.97 176.89 3df1 n ALA 114 N -2.53 0.00 -0.31 2.80 0.00 0.10 -0.82 120.51 119.75 3df1 n ALA 114 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.69 3df1 n ALA 114 Cb 0.30 0.09 0.35 0.00 0.00 0.00 0.00 19.45 20.19 3df1 n ALA 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3df1 h ALA 115 N -2.00 1.49 -0.05 0.00 0.00 -1.15 -0.01 119.26 117.54 3df1 h ALA 115 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3df1 h ALA 115 Cb 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3df1 h ALA 115 CO 0.00 -0.49 -0.23 -0.09 0.00 0.00 0.00 179.25 178.44 3df1 h ARG 116 N 0.26 -0.33 -0.12 0.00 2.43 -1.10 -0.83 114.38 114.70 3df1 h ARG 116 Ca 0.61 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.77 3df1 h ARG 116 Cb 1.28 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3df1 h ARG 116 CO -0.63 -0.22 -0.09 1.96 -1.51 0.00 0.00 179.97 179.48 3df1 h GLN 117 N -0.34 0.17 0.00 0.20 4.20 0.88 -1.37 115.11 118.85 3df1 h GLN 117 Ca 0.07 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3df1 h GLN 117 Cb 0.44 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3df1 h GLN 117 CO -0.24 0.27 -0.29 0.00 -0.67 0.00 0.00 178.83 177.91 3df1 h ALA 118 N 1.75 1.13 -1.55 3.87 0.00 -0.30 -3.48 119.26 120.69 3df1 h ALA 118 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3df1 h ALA 118 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3df1 h ALA 118 CO 0.01 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3df1 n GLY 119 N -0.13 0.83 3.55 0.00 0.00 -0.41 -5.09 105.19 103.94 3df1 n GLY 119 Ca -0.01 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 3df1 n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3df1 s LEU 120 N -1.55 -0.54 0.63 0.99 2.34 -1.17 -5.02 118.68 114.36 3df1 s LEU 120 Ca 0.00 0.63 0.00 0.00 0.06 0.00 0.00 54.13 54.82 3df1 s LEU 120 Cb 0.00 2.25 0.07 0.00 -0.56 0.00 0.00 46.19 47.96 3df1 s LEU 120 CO 0.00 -0.48 0.88 -0.83 -1.06 0.00 0.00 176.35 174.86 3df1 s GLY 121 N -1.05 1.79 -0.26 -3.48 0.00 -1.26 -4.32 107.32 98.75 3df1 s GLY 121 Ca -0.07 -1.48 -0.32 0.00 0.00 0.00 0.00 44.72 42.85 3df1 s GLY 121 CO 0.06 -1.07 1.31 -0.32 0.00 0.00 0.00 173.10 173.08 3df1 s GLY 122 N -4.56 -0.06 0.05 0.20 0.00 -0.85 -4.46 107.32 97.64 3df1 s GLY 122 Ca 0.61 2.39 -0.30 0.00 0.00 0.00 0.00 44.72 47.42 3df1 s GLY 122 CO 0.41 0.92 1.76 1.85 0.00 0.00 0.00 173.10 178.03 3df1 s GLU 123 N -1.45 4.17 1.38 2.90 2.12 -0.74 -3.88 118.70 123.19 3df1 s GLU 123 Ca 0.09 2.42 -0.22 0.00 0.36 0.00 0.00 54.97 57.62 3df1 s GLU 123 Cb -0.01 -3.79 0.35 0.00 0.26 0.00 0.00 34.13 30.95 3df1 s GLU 123 CO -0.05 -0.82 0.97 0.42 -0.54 0.00 0.00 175.26 175.23 3df1 s ILE 124 N 3.29 1.29 0.00 -3.70 1.01 -1.19 0.39 121.20 122.29 3df1 s ILE 124 Ca 0.78 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.43 3df1 s ILE 124 Cb -0.40 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3df1 s ILE 124 CO 0.35 0.00 0.00 -0.38 0.00 0.00 0.00 174.94 174.91 3df1 n ILE 125 N -5.46 0.00 -3.61 2.92 5.41 0.17 -4.27 119.36 114.52 3df1 n ILE 125 Ca 0.13 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.85 3df1 n ILE 125 Cb 0.60 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.51 3df1 n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3df1 n TYR 127 N -0.28 3.60 -1.67 0.00 4.01 -1.01 -2.51 117.16 119.30 3df1 n TYR 127 Ca -0.04 -3.37 -0.23 0.00 -0.16 0.00 0.00 57.90 54.11 3df1 n TYR 127 Cb 0.60 -0.41 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 3df1 n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3df1 s VAL 128 N -5.00 3.10 -2.26 -0.72 1.01 -1.03 -4.48 120.40 111.01 3df1 s VAL 128 Ca 0.48 -0.05 0.30 0.00 0.00 0.00 0.00 61.98 62.71 3df1 s VAL 128 Cb 0.34 -3.24 0.72 0.00 0.00 0.00 0.00 36.38 34.21 3df1 s VAL 128 CO -0.18 -0.22 1.98 0.00 0.00 0.00 0.00 175.10 176.67