#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 n GLN 2 N 0.00 3.34 -1.06 1.61 3.00 -1.26 -5.06 117.38 117.94 3df1 n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3df1 n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3df1 n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3df1 n LYS 3 N 0.00 -3.04 -4.24 -1.09 5.02 -1.26 -5.00 118.16 108.56 3df1 n LYS 3 Ca 0.00 2.25 -0.32 0.00 -2.02 0.00 0.00 58.31 58.21 3df1 n LYS 3 Cb 0.00 -2.52 -0.08 0.00 -0.02 0.00 0.00 35.03 32.41 3df1 n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3df1 s VAL 4 N -2.64 4.25 -0.20 -0.18 0.11 -1.26 -5.04 120.40 115.44 3df1 s VAL 4 Ca 0.00 -0.59 -0.29 0.00 -2.93 0.00 0.00 61.98 58.16 3df1 s VAL 4 Cb 0.00 -2.91 -0.07 0.00 -1.53 0.00 0.00 36.38 31.87 3df1 s VAL 4 CO 0.00 0.35 2.18 1.57 -3.33 0.00 0.00 175.10 175.88 3df1 n HIS 5 N 1.30 2.00 -0.03 1.54 -0.00 -1.26 -4.87 115.22 113.89 3df1 n HIS 5 Ca -0.14 -0.11 -0.09 0.00 0.46 0.00 0.00 57.72 57.85 3df1 n HIS 5 Cb 0.53 -2.71 -0.03 0.00 -0.12 0.00 0.00 29.99 27.65 3df1 n HIS 5 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3df1 h PRO 6 N 14.06 0.05 0.00 1.57 0.13 -1.96 0.18 132.00 146.02 3df1 h PRO 6 Ca -0.41 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3df1 h PRO 6 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3df1 h PRO 6 CO 0.96 0.03 0.00 -0.97 -0.23 0.00 0.00 178.00 177.79 3df1 h ASN 7 N 0.05 0.00 0.00 1.44 -1.24 -1.89 -1.22 115.58 112.72 3df1 h ASN 7 Ca 0.08 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.90 3df1 h ASN 7 Cb 0.11 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.13 3df1 h ASN 7 CO -0.15 0.00 -1.13 1.23 -1.29 0.00 0.00 177.43 176.09 3df1 h GLY 8 N 0.53 0.00 1.90 1.57 0.00 -1.68 -3.17 103.07 102.22 3df1 h GLY 8 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3df1 h GLY 8 CO 0.00 0.00 0.05 1.19 0.00 0.00 0.00 176.54 177.78 3df1 h ILE 9 N -1.00 0.23 -0.57 2.60 6.09 -0.49 0.12 117.51 124.49 3df1 h ILE 9 Ca -0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.19 3df1 h ILE 9 Cb 1.19 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.44 3df1 h ILE 9 CO -0.18 0.00 0.00 0.54 -3.07 0.00 0.00 178.15 175.44 3df1 n ARG 10 N -3.41 2.62 0.09 2.19 1.74 -0.48 -4.39 116.66 115.02 3df1 n ARG 10 Ca -0.02 -2.47 0.06 0.00 -0.77 0.00 0.00 57.85 54.64 3df1 n ARG 10 Cb 0.12 -1.53 0.31 0.00 -1.02 0.00 0.00 32.46 30.35 3df1 n ARG 10 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3df1 n LEU 11 N 1.52 0.29 -0.07 0.55 4.77 0.43 -2.37 117.00 122.12 3df1 n LEU 11 Ca 0.22 0.63 -0.11 0.00 -0.03 0.00 0.00 56.01 56.72 3df1 n LEU 11 Cb 0.60 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.95 3df1 n LEU 11 CO 0.16 -0.73 -0.08 1.23 -1.33 0.00 0.00 177.39 176.64 3df1 h GLY 12 N 0.00 0.00 -2.31 -0.72 0.00 -1.79 -3.45 103.07 94.80 3df1 h GLY 12 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3df1 h GLY 12 CO 0.00 0.00 -0.63 -0.26 0.00 0.00 0.00 176.54 175.65 3df1 s ILE 13 N -2.11 0.98 0.00 2.60 -0.00 -1.00 -4.80 121.20 116.86 3df1 s ILE 13 Ca -0.17 -2.02 0.00 0.00 -0.00 0.00 0.00 60.65 58.47 3df1 s ILE 13 Cb 0.01 -2.53 0.00 0.00 -0.00 0.00 0.00 42.46 39.94 3df1 s ILE 13 CO 0.42 -0.17 0.00 1.33 -0.00 0.00 0.00 174.94 176.53 3df1 n VAL 14 N -0.50 0.00 -3.77 8.37 0.24 -1.26 -4.75 118.33 116.65 3df1 n VAL 14 Ca -0.03 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.13 3df1 n VAL 14 Cb 0.65 -0.40 -0.15 0.00 -1.47 0.00 0.00 33.84 32.47 3df1 n VAL 14 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3df1 s LYS 15 N -0.80 0.03 0.58 7.34 2.47 -1.24 -4.83 119.74 123.30 3df1 s LYS 15 Ca 0.00 0.26 -0.15 0.00 -1.56 0.00 0.00 55.97 54.52 3df1 s LYS 15 Cb 0.00 -0.19 -0.04 0.00 -1.46 0.00 0.00 37.83 36.14 3df1 s LYS 15 CO 0.00 -0.15 1.03 -1.25 0.16 0.00 0.00 175.35 175.14 3df1 s PRO 16 N 1.00 3.50 -0.08 4.03 0.04 -1.26 -4.64 135.00 137.59 3df1 s PRO 16 Ca -0.08 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 61.76 3df1 s PRO 16 Cb -0.11 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3df1 s PRO 16 CO -0.04 -0.65 0.80 -0.46 0.04 0.00 0.00 177.00 176.69 3df1 s TRP 17 N -2.65 3.55 -2.00 0.56 -0.11 -1.26 -4.91 118.94 112.11 3df1 s TRP 17 Ca 0.61 1.35 0.02 0.00 1.22 0.00 0.00 56.10 59.29 3df1 s TRP 17 Cb -0.13 -2.94 0.12 0.00 -1.50 0.00 0.00 33.47 29.02 3df1 s TRP 17 CO 0.39 -0.04 0.48 0.09 -4.62 0.00 0.00 176.95 173.25 3df1 n ASN 18 N 4.26 0.00 -3.15 5.86 4.13 -1.26 -4.29 115.26 120.81 3df1 n ASN 18 Ca 0.02 -0.12 0.06 0.00 1.68 0.00 0.00 54.58 56.22 3df1 n ASN 18 Cb 0.50 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.73 3df1 n ASN 18 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3df1 s SER 19 N -1.97 -0.26 -0.24 6.41 0.15 -1.26 -3.84 113.70 112.68 3df1 s SER 19 Ca 0.03 0.16 -0.03 0.00 0.70 0.00 0.00 55.95 56.81 3df1 s SER 19 Cb 0.01 1.22 0.01 0.00 -1.71 0.00 0.00 66.02 65.55 3df1 s SER 19 CO 0.02 -0.05 -0.03 0.28 1.20 0.00 0.00 173.24 174.66 3df1 s THR 20 N 2.97 3.26 -0.28 6.45 -1.32 -1.26 -4.98 115.64 120.49 3df1 s THR 20 Ca -0.05 -0.74 -0.28 0.00 -1.21 0.00 0.00 61.69 59.41 3df1 s THR 20 Cb -0.09 -2.59 0.19 0.00 -1.51 0.00 0.00 72.50 68.50 3df1 s THR 20 CO -0.09 0.28 1.37 -1.66 -2.21 0.00 0.00 174.62 172.30 3df1 s TRP 21 N 1.42 -0.06 0.25 9.09 1.48 -1.26 -4.24 118.94 125.62 3df1 s TRP 21 Ca 0.03 0.11 0.01 0.00 -1.06 0.00 0.00 56.10 55.20 3df1 s TRP 21 Cb -0.16 0.49 -0.04 0.00 -1.16 0.00 0.00 33.47 32.61 3df1 s TRP 21 CO -0.03 -0.05 0.42 0.12 -4.06 0.00 0.00 176.95 173.36 3df1 s PHE 22 N -0.70 3.48 -0.30 1.66 5.36 -1.26 -5.02 117.98 121.19 3df1 s PHE 22 Ca 0.08 0.25 -0.19 0.00 -0.96 0.00 0.00 56.93 56.11 3df1 s PHE 22 Cb -0.02 -1.79 0.19 0.00 -0.34 0.00 0.00 43.02 41.05 3df1 s PHE 22 CO -0.10 0.33 1.28 0.00 -1.46 0.00 0.00 175.22 175.27 3df1 s ALA 23 N -2.01 -3.57 0.98 11.12 0.00 -1.26 -5.03 121.76 121.99 3df1 s ALA 23 Ca 0.38 1.57 -0.12 0.00 0.00 0.00 0.00 51.96 53.79 3df1 s ALA 23 Cb -0.10 -2.44 0.13 0.00 0.00 0.00 0.00 23.12 20.71 3df1 s ALA 23 CO 0.31 -1.18 0.82 0.09 0.00 0.00 0.00 175.76 175.80 3df1 n ASN 24 N 4.90 -0.87 -0.33 0.00 3.02 -1.26 -4.13 115.26 116.60 3df1 n ASN 24 Ca -0.08 0.28 0.14 0.00 -0.03 0.00 0.00 54.58 54.89 3df1 n ASN 24 Cb 0.55 -1.33 0.28 0.00 -0.61 0.00 0.00 39.78 38.67 3df1 n ASN 24 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3df1 h THR 25 N -1.92 0.07 -0.83 3.41 2.02 -2.02 0.15 112.91 113.79 3df1 h THR 25 Ca -0.46 -0.01 0.20 0.00 0.77 0.00 0.00 66.41 66.90 3df1 h THR 25 Cb 1.29 0.04 -0.15 0.00 -1.74 0.00 0.00 68.15 67.59 3df1 h THR 25 CO 0.40 0.01 0.01 0.07 0.37 0.00 0.00 175.52 176.37 3df1 h LYS 26 N 0.03 0.08 0.00 6.66 2.10 -2.04 -2.85 116.57 120.56 3df1 h LYS 26 Ca 0.58 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 3df1 h LYS 26 Cb 1.18 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3df1 h LYS 26 CO -0.88 0.05 -0.99 0.39 -2.00 0.00 0.00 179.45 176.02 3df1 n GLU 27 N -5.38 1.91 -0.28 0.07 4.71 -0.56 -4.56 120.64 116.55 3df1 n GLU 27 Ca 0.16 -0.05 0.07 0.00 -0.01 0.00 0.00 57.16 57.33 3df1 n GLU 27 Cb 0.55 -1.16 0.21 0.00 -1.01 0.00 0.00 31.44 30.03 3df1 n GLU 27 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3df1 h PHE 28 N 0.00 0.64 -0.64 -0.32 3.57 -0.51 1.92 116.94 121.61 3df1 h PHE 28 Ca 0.00 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3df1 h PHE 28 Cb 0.40 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 3df1 h PHE 28 CO 0.00 0.11 0.39 0.00 -2.23 0.00 0.00 178.31 176.58 3df1 h ALA 29 N 1.57 1.49 0.14 2.41 0.00 -1.80 -2.52 119.26 120.56 3df1 h ALA 29 Ca 0.45 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.96 3df1 h ALA 29 Cb 0.68 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3df1 h ALA 29 CO -0.39 0.45 -1.74 -0.44 0.00 0.00 0.00 179.25 177.12 3df1 h ASP 30 N 0.88 0.48 -0.25 0.00 5.19 -0.96 -3.35 116.42 118.40 3df1 h ASP 30 Ca 0.23 -0.91 0.07 0.00 -0.62 0.00 0.00 57.03 55.80 3df1 h ASP 30 Cb -0.05 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3df1 h ASP 30 CO -0.05 1.77 0.31 0.78 -3.12 0.00 0.00 179.24 178.94 3df1 h ASN 31 N -0.04 0.00 -0.05 6.45 4.21 0.30 -0.83 115.58 125.62 3df1 h ASN 31 Ca -0.36 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.98 3df1 h ASN 31 Cb 1.97 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 39.18 3df1 h ASN 31 CO 0.11 0.00 -0.63 -0.07 -1.29 0.00 0.00 177.43 175.55 3df1 h LEU 32 N 0.00 0.64 -0.36 1.61 3.38 -1.58 -3.00 115.31 116.00 3df1 h LEU 32 Ca 0.12 -0.70 0.01 0.00 0.09 0.00 0.00 57.88 57.40 3df1 h LEU 32 Cb 0.75 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3df1 h LEU 32 CO -0.00 1.25 0.23 -0.78 0.09 0.00 0.00 178.44 179.22 3df1 h ASP 33 N 0.09 0.38 -0.79 -0.43 -0.00 -1.30 -1.86 116.42 112.50 3df1 h ASP 33 Ca -0.06 -0.00 0.09 0.00 -0.00 0.00 0.00 57.03 57.05 3df1 h ASP 33 Cb 1.30 -0.09 -0.07 0.00 -0.00 0.00 0.00 39.33 40.48 3df1 h ASP 33 CO 0.13 0.27 0.44 0.77 -0.00 0.00 0.00 179.24 180.85 3df1 h SER 34 N 0.46 0.62 -0.93 2.28 4.64 -1.54 0.25 113.55 119.33 3df1 h SER 34 Ca 0.14 0.05 0.12 0.00 -0.47 0.00 0.00 61.79 61.63 3df1 h SER 34 Cb -0.03 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 61.92 3df1 h SER 34 CO -0.05 0.36 0.59 0.44 -0.87 0.00 0.00 176.83 177.30 3df1 h ASP 35 N 0.74 0.79 0.26 4.97 5.19 -1.20 -2.11 116.42 125.05 3df1 h ASP 35 Ca 0.38 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.82 3df1 h ASP 35 Cb 0.36 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3df1 h ASP 35 CO -0.25 0.42 -0.12 0.15 -3.12 0.00 0.00 179.24 176.32 3df1 h PHE 36 N 0.85 -0.32 -0.95 4.55 3.57 -0.18 -2.43 116.94 122.03 3df1 h PHE 36 Ca 0.46 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 62.13 3df1 h PHE 36 Cb 0.56 0.11 -0.18 0.00 2.79 0.00 0.00 35.95 39.23 3df1 h PHE 36 CO -0.00 -0.06 -0.26 0.87 -2.23 0.00 0.00 178.31 176.63 3df1 h LYS 37 N -1.03 -0.00 -0.11 1.11 1.57 -0.40 -0.79 116.57 116.92 3df1 h LYS 37 Ca -0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3df1 h LYS 37 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3df1 h LYS 37 CO 0.06 -0.00 -0.38 -0.39 -0.57 0.00 0.00 179.45 178.17 3df1 h VAL 38 N -0.00 1.38 -0.26 0.50 -1.51 -1.51 -2.86 116.25 111.99 3df1 h VAL 38 Ca 0.44 -1.71 0.06 0.00 -1.23 0.00 0.00 66.70 64.27 3df1 h VAL 38 Cb 0.68 2.17 -0.07 0.00 -2.13 0.00 0.00 31.29 31.94 3df1 h VAL 38 CO -0.98 0.51 -0.26 0.03 -1.23 0.00 0.00 177.57 175.64 3df1 h ARG 39 N 0.03 -0.25 -0.58 5.19 3.08 -0.66 -1.08 114.38 120.11 3df1 h ARG 39 Ca -0.02 0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3df1 h ARG 39 Cb 1.01 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 3df1 h ARG 39 CO 0.08 -0.16 0.14 -0.56 -1.07 0.00 0.00 179.97 178.39 3df1 h GLN 40 N -0.26 0.89 0.30 0.04 3.07 -1.41 -2.24 115.11 115.51 3df1 h GLN 40 Ca 0.14 -0.19 -0.01 0.00 0.09 0.00 0.00 58.65 58.68 3df1 h GLN 40 Cb 0.48 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 3df1 h GLN 40 CO -0.41 0.80 -0.18 -0.92 0.09 0.00 0.00 178.83 178.21 3df1 h TYR 41 N 0.86 -0.48 -0.06 0.06 5.03 -1.09 -2.00 116.97 119.29 3df1 h TYR 41 Ca 0.19 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.47 3df1 h TYR 41 Cb 0.32 0.17 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 3df1 h TYR 41 CO 0.02 -0.29 -0.05 -0.07 -1.32 0.00 0.00 178.16 176.45 3df1 h LEU 42 N -0.47 0.08 -0.20 2.82 -0.00 -1.17 -1.11 115.31 115.25 3df1 h LEU 42 Ca -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.84 3df1 h LEU 42 Cb 0.39 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 3df1 h LEU 42 CO 0.03 0.14 0.13 0.74 -0.00 0.00 0.00 178.44 179.49 3df1 h THR 43 N 0.08 1.06 -0.09 0.22 2.02 -0.76 0.57 112.91 116.02 3df1 h THR 43 Ca 0.02 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3df1 h THR 43 Cb 0.15 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3df1 h THR 43 CO 0.01 0.05 -0.09 0.50 0.37 0.00 0.00 175.52 176.36 3df1 h LYS 44 N 0.27 0.22 0.00 6.66 3.64 -0.94 -2.04 116.57 124.37 3df1 h LYS 44 Ca 0.07 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3df1 h LYS 44 Cb -0.02 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3df1 h LYS 44 CO -0.02 0.65 -0.09 0.93 -2.27 0.00 0.00 179.45 178.65 3df1 h GLU 45 N -0.21 0.00 -1.36 1.90 5.08 -1.10 -2.85 114.58 116.04 3df1 h GLU 45 Ca 0.01 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.81 3df1 h GLU 45 Cb 0.61 0.00 -0.42 0.00 0.50 0.00 0.00 28.75 29.44 3df1 h GLU 45 CO 0.02 0.09 -0.79 1.28 -1.00 0.00 0.00 179.01 178.62 3df1 n LEU 46 N -3.74 4.42 0.00 1.33 7.99 0.20 -4.92 117.00 122.28 3df1 n LEU 46 Ca -0.02 -5.00 0.00 0.00 -0.01 0.00 0.00 56.01 50.98 3df1 n LEU 46 Cb 0.20 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.15 3df1 n LEU 46 CO 0.30 2.15 0.39 0.00 -1.51 0.00 0.00 177.39 178.71 3df1 n ALA 47 N -0.48 -0.27 0.94 -1.18 0.00 -0.78 -2.81 120.51 115.94 3df1 n ALA 47 Ca 0.37 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.88 3df1 n ALA 47 Cb 0.72 0.01 0.44 0.00 0.00 0.00 0.00 19.45 20.62 3df1 n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3df1 n LYS 48 N -1.33 0.47 0.30 0.00 0.00 -1.26 -3.10 118.16 113.23 3df1 n LYS 48 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 3df1 n LYS 48 Cb 0.00 -1.50 0.96 0.00 -0.00 0.00 0.00 35.03 34.49 3df1 n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3df1 h ALA 49 N 2.93 1.11 -2.41 0.58 0.00 -1.88 -3.45 119.26 116.14 3df1 h ALA 49 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3df1 h ALA 49 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3df1 h ALA 49 CO 0.00 -0.11 -0.38 0.43 0.00 0.00 0.00 179.25 179.19 3df1 n SER 50 N -2.83 -4.43 -4.77 0.00 7.64 -1.18 -2.79 113.62 105.25 3df1 n SER 50 Ca -0.02 -0.08 -0.35 0.00 1.01 0.00 0.00 58.87 59.43 3df1 n SER 50 Cb 0.17 -3.49 0.01 0.00 -1.01 0.00 0.00 64.21 59.89 3df1 n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3df1 s VAL 51 N -2.80 3.14 0.00 0.44 0.11 -1.26 -0.94 120.40 119.09 3df1 s VAL 51 Ca 0.07 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 3df1 s VAL 51 Cb -0.03 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 3df1 s VAL 51 CO 0.09 -0.18 0.00 -0.24 -3.33 0.00 0.00 175.10 171.43 3df1 n SER 52 N -1.51 0.00 -4.54 3.54 2.88 -0.33 -4.72 113.62 108.95 3df1 n SER 52 Ca 0.12 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.41 3df1 n SER 52 Cb 0.51 -0.26 -0.10 0.00 -0.75 0.00 0.00 64.21 63.62 3df1 n SER 52 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3df1 s ARG 53 N -0.76 1.86 -0.33 -1.46 3.52 -1.23 -4.85 118.95 115.70 3df1 s ARG 53 Ca 0.00 -1.78 0.01 0.00 -0.13 0.00 0.00 55.73 53.83 3df1 s ARG 53 Cb 0.00 -1.82 0.14 0.00 -1.56 0.00 0.00 34.95 31.71 3df1 s ARG 53 CO 0.00 0.24 0.30 -1.50 -0.81 0.00 0.00 175.30 173.54 3df1 s ILE 54 N -2.52 -0.26 0.58 4.11 2.07 -1.26 -1.93 121.20 121.97 3df1 s ILE 54 Ca 0.32 -0.91 -0.17 0.00 -1.41 0.00 0.00 60.65 58.48 3df1 s ILE 54 Cb -0.02 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.66 3df1 s ILE 54 CO 0.17 -0.62 1.06 -0.69 -1.91 0.00 0.00 174.94 172.95 3df1 s VAL 55 N 1.74 3.74 -0.29 4.00 1.01 -0.53 -4.93 120.40 125.14 3df1 s VAL 55 Ca 0.14 0.88 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 3df1 s VAL 55 Cb -0.16 -3.37 0.09 0.00 0.00 0.00 0.00 36.38 32.94 3df1 s VAL 55 CO -0.15 -0.44 0.10 -0.63 0.00 0.00 0.00 175.10 173.99 3df1 s ILE 56 N -2.33 0.42 -0.14 2.22 1.01 -1.25 -2.25 121.20 118.87 3df1 s ILE 56 Ca 0.65 -1.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.16 3df1 s ILE 56 Cb -0.17 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 3df1 s ILE 56 CO 0.34 -0.64 0.27 -1.61 0.00 0.00 0.00 174.94 173.30 3df1 s GLU 57 N 1.86 4.11 -0.74 2.79 2.02 -1.26 -4.01 118.70 123.47 3df1 s GLU 57 Ca 0.08 0.07 0.04 0.00 0.02 0.00 0.00 54.97 55.18 3df1 s GLU 57 Cb -0.17 -3.37 0.18 0.00 0.10 0.00 0.00 34.13 30.87 3df1 s GLU 57 CO -0.28 0.36 0.55 1.03 0.02 0.00 0.00 175.26 176.94 3df1 s ARG 58 N 0.10 2.62 0.00 1.61 0.52 -1.26 0.33 118.95 122.88 3df1 s ARG 58 Ca 0.16 -3.33 0.00 0.00 -0.52 0.00 0.00 55.73 52.04 3df1 s ARG 58 Cb -0.13 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.81 3df1 s ARG 58 CO 0.04 -1.28 0.00 -0.35 0.02 0.00 0.00 175.30 173.73 3df1 n PRO 59 N 2.06 1.44 -2.46 3.54 -0.04 -1.01 -4.75 135.00 133.77 3df1 n PRO 59 Ca 0.20 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 3df1 n PRO 59 Cb 0.35 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 3df1 n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3df1 s ALA 60 N -3.13 2.67 -1.85 0.55 0.00 -1.26 -3.96 121.76 114.79 3df1 s ALA 60 Ca 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.63 3df1 s ALA 60 Cb 0.00 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.54 3df1 s ALA 60 CO 0.00 -3.81 0.00 1.63 0.00 0.00 0.00 175.76 173.58 3df1 n LYS 61 N 8.71 -1.54 -4.37 0.00 4.76 -1.26 -4.98 118.16 119.48 3df1 n LYS 61 Ca 0.39 1.05 -0.19 0.00 -2.87 0.00 0.00 58.31 56.69 3df1 n LYS 61 Cb 0.49 -5.58 -0.10 0.00 -1.84 0.00 0.00 35.03 28.00 3df1 n LYS 61 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3df1 s SER 62 N -2.32 2.12 -0.13 4.39 1.04 -1.24 -2.75 113.70 114.82 3df1 s SER 62 Ca 0.00 -1.24 -0.03 0.00 0.48 0.00 0.00 55.95 55.16 3df1 s SER 62 Cb 0.00 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 66.12 3df1 s SER 62 CO 0.00 -0.49 0.05 -0.63 0.98 0.00 0.00 173.24 173.15 3df1 s ILE 63 N -3.31 0.18 0.08 -1.02 1.01 -1.21 -2.41 121.20 114.52 3df1 s ILE 63 Ca 0.30 -0.11 -0.26 0.00 0.00 0.00 0.00 60.65 60.58 3df1 s ILE 63 Cb 0.06 -0.62 -0.16 0.00 0.01 0.00 0.00 42.46 41.74 3df1 s ILE 63 CO 0.10 -0.06 1.68 -0.09 0.00 0.00 0.00 174.94 176.57 3df1 h ARG 64 N 8.35 -0.22 -6.14 2.79 9.65 -0.43 0.34 114.38 128.72 3df1 h ARG 64 Ca -0.16 0.01 -0.45 0.00 -1.10 0.00 0.00 59.98 58.29 3df1 h ARG 64 Cb 1.13 0.05 0.02 0.00 -1.39 0.00 0.00 29.97 29.79 3df1 h ARG 64 CO 0.27 -0.13 -0.74 0.28 2.80 0.00 0.00 179.97 182.45 3df1 n VAL 65 N -5.18 -2.59 -1.73 0.20 0.31 -1.25 -2.16 118.33 105.93 3df1 n VAL 65 Ca -0.09 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 3df1 n VAL 65 Cb 0.12 -3.29 -0.03 0.00 -0.91 0.00 0.00 33.84 29.74 3df1 n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3df1 s THR 66 N -3.34 2.02 0.01 2.52 2.01 -0.95 -3.67 115.64 114.23 3df1 s THR 66 Ca 0.57 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.64 3df1 s THR 66 Cb -0.28 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3df1 s THR 66 CO 0.80 0.00 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.96 3df1 s ILE 67 N 1.08 3.06 -0.66 1.82 1.01 0.19 -1.46 121.20 126.25 3df1 s ILE 67 Ca 0.74 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 60.46 3df1 s ILE 67 Cb -0.50 -2.28 0.18 0.00 0.01 0.00 0.00 42.46 39.87 3df1 s ILE 67 CO 0.33 0.41 0.52 1.41 0.00 0.00 0.00 174.94 177.61 3df1 n HIS 68 N 1.72 2.81 -3.68 3.97 8.25 -0.81 0.11 115.22 127.58 3df1 n HIS 68 Ca -0.16 -4.17 -0.27 0.00 -0.26 0.00 0.00 57.72 52.85 3df1 n HIS 68 Cb 0.52 -0.52 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 3df1 n HIS 68 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3df1 s THR 69 N -1.47 5.20 0.00 1.59 -1.32 -1.15 -1.18 115.64 117.31 3df1 s THR 69 Ca 0.28 -0.35 -0.21 0.00 -1.21 0.00 0.00 61.69 60.21 3df1 s THR 69 Cb 0.00 -3.73 -0.20 0.00 -1.51 0.00 0.00 72.50 67.06 3df1 s THR 69 CO -0.15 -0.18 1.16 0.00 -2.21 0.00 0.00 174.62 173.24 3df1 h ALA 70 N 1.98 0.12 -2.77 11.08 0.00 -1.17 -3.38 119.26 125.12 3df1 h ALA 70 Ca -0.48 -0.47 -0.73 0.00 0.00 0.00 0.00 54.91 53.23 3df1 h ALA 70 Cb 1.19 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 3df1 h ALA 70 CO 0.68 0.22 0.06 0.50 0.00 0.00 0.00 179.25 180.71 3df1 s ARG 71 N -3.53 3.53 0.24 0.00 3.52 -1.12 -4.72 118.95 116.87 3df1 s ARG 71 Ca -0.14 -3.25 -0.02 0.00 -0.13 0.00 0.00 55.73 52.18 3df1 s ARG 71 Cb 0.04 -4.13 0.28 0.00 -1.56 0.00 0.00 34.95 29.58 3df1 s ARG 71 CO 0.78 -1.26 1.70 -1.00 -0.81 0.00 0.00 175.30 174.71 3df1 h PRO 72 N 6.21 0.74 -1.00 5.12 0.13 -1.84 -3.13 132.00 138.24 3df1 h PRO 72 Ca 0.16 -0.25 0.25 0.00 -0.87 0.00 0.00 66.00 65.29 3df1 h PRO 72 Cb 0.83 -0.06 -0.08 0.00 0.13 0.00 0.00 31.00 31.82 3df1 h PRO 72 CO 0.90 0.84 0.65 0.78 -0.23 0.00 0.00 178.00 180.94 3df1 h GLY 73 N 0.97 1.07 1.74 1.56 0.00 -1.96 0.19 103.07 106.65 3df1 h GLY 73 Ca 0.11 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3df1 h GLY 73 CO 0.04 -0.09 -0.78 1.19 0.00 0.00 0.00 176.54 176.90 3df1 h ILE 74 N 0.39 0.85 0.00 2.60 6.09 -1.94 -3.16 117.51 122.34 3df1 h ILE 74 Ca 0.55 -2.27 0.00 0.00 -1.37 0.00 0.00 64.86 61.77 3df1 h ILE 74 Cb 1.42 2.36 0.00 0.00 0.47 0.00 0.00 36.82 41.07 3df1 h ILE 74 CO -0.25 0.48 0.00 0.52 -3.07 0.00 0.00 178.15 175.84 3df1 n VAL 75 N -3.15 0.00 0.00 2.19 0.31 0.65 -3.96 118.33 114.37 3df1 n VAL 75 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3df1 n VAL 75 Cb 0.78 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3df1 n VAL 75 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3df1 n ILE 76 N -0.98 0.00 0.00 2.52 2.08 -1.09 -4.12 119.36 117.77 3df1 n ILE 76 Ca 0.15 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.53 3df1 n ILE 76 Cb 0.07 -0.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.97 3df1 n ILE 76 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3df1 n GLY 77 N 2.65 -1.16 3.55 7.39 0.00 -1.23 0.16 105.19 116.55 3df1 n GLY 77 Ca 0.00 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3df1 n GLY 77 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3df1 n LYS 78 N 0.00 1.23 -0.31 1.61 2.85 -1.26 -2.48 118.16 119.80 3df1 n LYS 78 Ca 0.00 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 3df1 n LYS 78 Cb 0.00 -3.21 0.00 0.00 -0.65 0.00 0.00 35.03 31.17 3df1 n LYS 78 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3df1 n LYS 79 N 8.86 0.00 0.00 -1.58 5.02 -1.26 -2.82 118.16 126.38 3df1 n LYS 79 Ca 0.37 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 3df1 n LYS 79 Cb 0.47 -4.14 0.00 0.00 -0.02 0.00 0.00 35.03 31.34 3df1 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3df1 n GLY 80 N -1.87 0.39 0.00 0.72 0.00 -1.04 -5.06 105.19 98.34 3df1 n GLY 80 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3df1 n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3df1 n GLU 81 N 0.00 0.00 0.13 1.61 4.07 0.24 -3.23 120.64 123.46 3df1 n GLU 81 Ca 0.00 0.07 0.18 0.00 -0.06 0.00 0.00 57.16 57.35 3df1 n GLU 81 Cb 0.00 -1.02 0.76 0.00 -0.06 0.00 0.00 31.44 31.12 3df1 n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 3df1 h ASP 82 N 0.00 0.00 0.00 4.31 3.32 0.13 -2.34 116.42 121.84 3df1 h ASP 82 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3df1 h ASP 82 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3df1 h ASP 82 CO 0.00 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.04 3df1 n VAL 83 N -3.96 0.00 0.17 -1.35 0.31 -1.20 0.48 118.33 112.77 3df1 n VAL 83 Ca 0.05 1.39 0.03 0.00 -0.01 0.00 0.00 64.34 65.79 3df1 n VAL 83 Cb 0.45 -2.00 0.27 0.00 -0.91 0.00 0.00 33.84 31.65 3df1 n VAL 83 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3df1 h GLU 84 N 0.00 0.00 0.00 5.55 4.39 -1.56 -2.83 114.58 120.13 3df1 h GLU 84 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3df1 h GLU 84 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3df1 h GLU 84 CO 0.00 0.47 0.00 1.17 -1.16 0.00 0.00 179.01 179.49 3df1 n LYS 85 N -3.66 0.00 -0.17 2.33 4.81 -0.89 -1.63 118.16 118.95 3df1 n LYS 85 Ca -0.01 0.48 -0.01 0.00 -0.87 0.00 0.00 58.31 57.90 3df1 n LYS 85 Cb 0.55 -1.47 0.07 0.00 0.02 0.00 0.00 35.03 34.20 3df1 n LYS 85 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 3df1 h LEU 86 N 0.00 -0.10 -0.47 3.14 3.38 -0.09 -2.50 115.31 118.67 3df1 h LEU 86 Ca 0.00 0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3df1 h LEU 86 Cb 0.00 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3df1 h LEU 86 CO 0.00 -0.02 -0.07 -0.09 0.09 0.00 0.00 178.44 178.34 3df1 h ARG 87 N 0.18 0.04 -0.30 1.13 1.12 -1.54 -2.29 114.38 112.73 3df1 h ARG 87 Ca 0.27 -0.00 0.05 0.00 -1.11 0.00 0.00 59.98 59.18 3df1 h ARG 87 Cb 0.39 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 3df1 h ARG 87 CO -0.39 0.03 0.02 -0.22 -3.11 0.00 0.00 179.97 176.30 3df1 h LYS 88 N 0.04 0.11 -0.11 0.20 3.11 -0.85 -2.80 116.57 116.28 3df1 h LYS 88 Ca 0.23 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.09 3df1 h LYS 88 Cb 0.35 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 31.50 3df1 h LYS 88 CO -0.45 0.08 -0.51 0.28 -2.81 0.00 0.00 179.45 176.04 3df1 h VAL 89 N 0.12 0.00 -0.52 2.00 2.07 -1.28 -1.99 116.25 116.64 3df1 h VAL 89 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3df1 h VAL 89 Cb 0.18 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.85 3df1 h VAL 89 CO -0.22 0.00 -0.44 0.58 0.02 0.00 0.00 177.57 177.51 3df1 h VAL 90 N -0.56 0.09 -0.98 2.57 2.07 -1.33 0.71 116.25 118.82 3df1 h VAL 90 Ca 0.03 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.80 3df1 h VAL 90 Cb 0.64 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3df1 h VAL 90 CO -0.40 0.00 0.66 0.00 0.02 0.00 0.00 177.57 177.85 3df1 h ALA 91 N 0.53 2.41 0.18 1.67 0.00 -1.20 0.47 119.26 123.32 3df1 h ALA 91 Ca 0.16 0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.84 3df1 h ALA 91 Cb 0.57 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.40 3df1 h ALA 91 CO -0.65 -0.74 -1.15 0.22 0.00 0.00 0.00 179.25 176.92 3df1 h ASP 92 N 0.30 0.59 -0.07 0.00 1.82 0.32 0.12 116.42 119.50 3df1 h ASP 92 Ca 0.52 -0.93 -0.05 0.00 -0.39 0.00 0.00 57.03 56.18 3df1 h ASP 92 Cb 1.49 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.29 3df1 h ASP 92 CO -0.17 1.55 -0.08 0.40 -1.61 0.00 0.00 179.24 179.33 3df1 h ILE 93 N -0.17 1.18 -0.02 2.25 2.04 0.21 -2.53 117.51 120.47 3df1 h ILE 93 Ca -0.21 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3df1 h ILE 93 Cb 1.85 1.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3df1 h ILE 93 CO 0.18 0.24 -0.32 0.00 0.00 0.00 0.00 178.15 178.25 3df1 n ALA 94 N -2.49 3.19 0.00 1.87 0.00 0.15 -4.95 120.51 118.28 3df1 n ALA 94 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.83 3df1 n ALA 94 Cb 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.02 3df1 n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df1 n GLY 95 N 1.26 2.10 3.67 0.00 0.00 0.43 -4.95 105.19 107.70 3df1 n GLY 95 Ca 0.09 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3df1 n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3df1 s VAL 96 N 0.00 2.35 0.20 1.61 -7.23 -1.21 -4.51 120.40 111.61 3df1 s VAL 96 Ca 0.00 0.11 -0.31 0.00 -1.81 0.00 0.00 61.98 59.97 3df1 s VAL 96 Cb 0.00 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 3df1 s VAL 96 CO 0.00 -0.15 1.57 -2.16 -0.31 0.00 0.00 175.10 174.05 3df1 s PRO 97 N -4.70 4.20 0.32 4.82 0.04 -1.11 -4.30 135.00 134.28 3df1 s PRO 97 Ca 0.66 2.40 0.10 0.00 0.04 0.00 0.00 61.00 64.20 3df1 s PRO 97 Cb -0.22 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.14 3df1 s PRO 97 CO 0.58 -0.59 -0.12 0.00 0.04 0.00 0.00 177.00 176.91 3df1 s ALA 98 N 0.83 2.91 0.00 8.56 0.00 -1.26 -3.32 121.76 129.48 3df1 s ALA 98 Ca 0.68 -2.01 0.00 0.00 0.00 0.00 0.00 51.96 50.63 3df1 s ALA 98 Cb -0.45 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.53 3df1 s ALA 98 CO 0.35 0.15 0.00 1.04 0.00 0.00 0.00 175.76 177.30 3df1 n GLN 99 N -0.75 3.65 0.00 0.00 3.00 0.12 -4.75 117.38 118.65 3df1 n GLN 99 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 3df1 n GLN 99 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.86 3df1 n GLN 99 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.06 178.57 3df1 n ILE 100 N 0.00 0.00 -4.28 5.09 3.06 -0.92 -4.61 119.36 117.69 3df1 n ILE 100 Ca 0.00 0.00 -0.18 0.00 -2.50 0.00 0.00 62.75 60.07 3df1 n ILE 100 Cb 0.00 0.00 -0.11 0.00 0.54 0.00 0.00 39.64 40.07 3df1 n ILE 100 CO 0.00 0.00 0.00 0.20 -2.50 0.00 0.00 176.55 174.25 3df1 s ASN 101 N 0.00 2.20 0.12 9.51 0.01 -1.24 -4.98 114.94 120.56 3df1 s ASN 101 Ca 0.00 -0.93 0.09 0.00 -0.71 0.00 0.00 52.86 51.31 3df1 s ASN 101 Cb 0.00 -0.09 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 3df1 s ASN 101 CO 0.00 -0.18 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.60 3df1 s ILE 102 N -2.65 2.85 -0.02 0.60 1.09 -1.26 0.56 121.20 122.38 3df1 s ILE 102 Ca 0.16 -1.51 0.04 0.00 -1.10 0.00 0.00 60.65 58.24 3df1 s ILE 102 Cb -0.02 -2.31 -0.01 0.00 -1.06 0.00 0.00 42.46 39.06 3df1 s ILE 102 CO 0.04 0.09 -0.14 0.00 -0.10 0.00 0.00 174.94 174.83 3df1 s ALA 103 N -1.16 1.21 1.00 9.38 0.00 0.29 -4.86 121.76 127.63 3df1 s ALA 103 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.54 3df1 s ALA 103 Cb -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3df1 s ALA 103 CO 0.10 0.27 0.00 -1.91 0.00 0.00 0.00 175.76 174.23 3df1 n GLU 104 N 2.85 0.55 -3.29 0.00 2.13 -1.26 -2.91 120.64 118.70 3df1 n GLU 104 Ca -0.15 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.61 3df1 n GLU 104 Cb 0.55 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.20 3df1 n GLU 104 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3df1 s VAL 105 N -0.19 -0.71 -1.00 6.31 -7.23 -1.26 -4.48 120.40 111.84 3df1 s VAL 105 Ca 0.00 -0.11 -0.24 0.00 -1.81 0.00 0.00 61.98 59.82 3df1 s VAL 105 Cb 0.00 -0.91 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 3df1 s VAL 105 CO 0.00 -0.14 1.96 0.00 -0.31 0.00 0.00 175.10 176.61 3df1 s ARG 106 N 2.62 2.49 -0.14 4.82 1.70 -1.26 -4.33 118.95 124.84 3df1 s ARG 106 Ca 0.13 -0.56 -0.10 0.00 -0.47 0.00 0.00 55.73 54.73 3df1 s ARG 106 Cb -0.14 -5.11 0.04 0.00 -0.57 0.00 0.00 34.95 29.16 3df1 s ARG 106 CO -0.21 -3.64 0.20 1.63 -1.08 0.00 0.00 175.30 172.20 3df1 n LYS 107 N 8.65 -4.36 0.20 3.89 5.02 -1.26 -4.72 118.16 125.58 3df1 n LYS 107 Ca 0.42 3.30 0.05 0.00 -2.02 0.00 0.00 58.31 60.06 3df1 n LYS 107 Cb 0.47 -4.71 0.50 0.00 -0.02 0.00 0.00 35.03 31.26 3df1 n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3df1 h PRO 108 N 3.80 0.06 0.00 1.97 0.13 -1.98 -2.36 132.00 133.63 3df1 h PRO 108 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3df1 h PRO 108 Cb 1.03 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.15 3df1 h PRO 108 CO 0.01 0.19 0.00 0.39 -0.23 0.00 0.00 178.00 178.36 3df1 n GLU 109 N -4.36 0.02 -2.58 0.86 1.02 -1.26 -2.38 120.64 111.96 3df1 n GLU 109 Ca -0.02 0.26 -0.26 0.00 -0.02 0.00 0.00 57.16 57.12 3df1 n GLU 109 Cb 0.22 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.13 3df1 n GLU 109 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3df1 n LEU 110 N -1.27 4.40 -3.75 -4.62 4.77 -0.89 -3.67 117.00 111.98 3df1 n LEU 110 Ca 0.01 -5.20 -0.13 0.00 -0.03 0.00 0.00 56.01 50.66 3df1 n LEU 110 Cb 0.01 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 3df1 n LEU 110 CO 0.01 2.22 0.03 -0.62 -1.33 0.00 0.00 177.39 177.70 3df1 s ASP 111 N -3.49 -0.38 0.00 -1.43 2.15 -1.00 -5.02 116.67 107.50 3df1 s ASP 111 Ca 0.47 0.74 0.00 0.00 0.43 0.00 0.00 52.55 54.18 3df1 s ASP 111 Cb 0.38 0.74 0.00 0.00 -0.30 0.00 0.00 42.92 43.74 3df1 s ASP 111 CO -0.16 -0.13 0.12 0.00 -0.17 0.00 0.00 175.17 174.82 3df1 n ALA 112 N 2.99 0.00 -0.19 3.66 0.00 -1.26 -1.48 120.51 124.22 3df1 n ALA 112 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 3df1 n ALA 112 Cb 0.57 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 20.00 3df1 n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3df1 n LYS 113 N -0.14 -0.18 0.01 0.00 3.00 -1.26 0.64 118.16 120.22 3df1 n LYS 113 Ca 0.00 0.70 -0.01 0.00 -0.00 0.00 0.00 58.31 59.00 3df1 n LYS 113 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 35.03 33.98 3df1 n LYS 113 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 3df1 h LEU 114 N 0.00 -0.15 -1.02 3.14 3.38 -1.85 0.56 115.31 119.37 3df1 h LEU 114 Ca 0.09 0.02 0.19 0.00 0.09 0.00 0.00 57.88 58.26 3df1 h LEU 114 Cb 0.21 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 3df1 h LEU 114 CO -0.44 -0.05 0.61 0.58 0.09 0.00 0.00 178.44 179.23 3df1 h VAL 115 N -0.06 0.72 0.00 1.22 2.07 0.10 0.92 116.25 121.22 3df1 h VAL 115 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3df1 h VAL 115 Cb 0.07 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 3df1 h VAL 115 CO -0.03 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.70 3df1 n ALA 116 N -2.33 -0.19 0.04 1.67 0.00 0.21 0.10 120.51 120.01 3df1 n ALA 116 Ca 0.23 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.88 3df1 n ALA 116 Cb 0.56 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.60 3df1 n ALA 116 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3df1 h ASP 117 N 0.00 0.00 0.01 0.00 3.45 0.19 0.18 116.42 120.24 3df1 h ASP 117 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3df1 h ASP 117 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3df1 h ASP 117 CO 0.00 0.00 -0.09 -1.28 -1.57 0.00 0.00 179.24 176.30 3df1 h SER 118 N 0.00 0.06 -0.76 6.45 0.87 -0.66 -3.15 113.55 116.36 3df1 h SER 118 Ca 0.25 -0.87 0.16 0.00 -1.23 0.00 0.00 61.79 60.10 3df1 h SER 118 Cb 1.72 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 63.56 3df1 h SER 118 CO -0.00 0.93 0.27 -0.29 -0.53 0.00 0.00 176.83 177.20 3df1 h ILE 119 N -0.79 0.59 -0.47 2.23 6.09 0.28 -0.80 117.51 124.64 3df1 h ILE 119 Ca -0.01 -0.13 -0.02 0.00 -1.37 0.00 0.00 64.86 63.33 3df1 h ILE 119 Cb 0.94 0.18 -0.02 0.00 0.47 0.00 0.00 36.82 38.39 3df1 h ILE 119 CO 0.02 0.07 0.22 0.71 -3.07 0.00 0.00 178.15 176.09 3df1 h THR 120 N 0.38 1.19 -0.98 2.19 1.35 -1.60 -2.58 112.91 112.86 3df1 h THR 120 Ca 0.43 -0.55 0.23 0.00 -0.55 0.00 0.00 66.41 65.97 3df1 h THR 120 Cb 0.70 0.68 -0.12 0.00 -1.73 0.00 0.00 68.15 67.68 3df1 h THR 120 CO -0.45 0.21 0.55 0.28 -0.25 0.00 0.00 175.52 175.86 3df1 h SER 121 N 0.62 0.62 -0.24 5.36 0.02 -1.10 0.12 113.55 118.95 3df1 h SER 121 Ca 0.16 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 3df1 h SER 121 Cb 0.13 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3df1 h SER 121 CO -0.02 0.11 0.10 1.56 -1.14 0.00 0.00 176.83 177.44 3df1 h GLN 122 N 0.57 0.36 0.11 3.45 4.20 -1.19 -1.03 115.11 121.58 3df1 h GLN 122 Ca 0.61 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.28 3df1 h GLN 122 Cb 1.13 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.80 3df1 h GLN 122 CO -0.47 0.40 -0.48 -0.07 -0.67 0.00 0.00 178.83 177.53 3df1 h LEU 123 N 0.24 -1.44 -2.12 1.46 3.38 -0.66 -0.11 115.31 116.05 3df1 h LEU 123 Ca 0.08 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.25 3df1 h LEU 123 Cb 0.17 0.54 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3df1 h LEU 123 CO -0.01 -0.53 0.12 -0.33 0.09 0.00 0.00 178.44 177.78 3df1 h GLU 124 N -0.71 0.00 -0.14 1.13 5.08 -1.32 0.10 114.58 118.73 3df1 h GLU 124 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3df1 h GLU 124 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3df1 h GLU 124 CO -0.27 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.61 3df1 n ARG 125 N -4.25 0.89 -3.12 2.33 0.63 -0.08 -4.87 116.66 108.19 3df1 n ARG 125 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.82 3df1 n ARG 125 Cb 0.24 -1.07 0.05 0.00 0.45 0.00 0.00 32.46 32.13 3df1 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3df1 n ARG 126 N -0.42 -1.97 -4.51 -0.14 5.12 0.35 -5.02 116.66 110.07 3df1 n ARG 126 Ca 0.00 0.94 -0.25 0.00 -1.93 0.00 0.00 57.85 56.61 3df1 n ARG 126 Cb 0.03 -5.60 -0.10 0.00 -1.16 0.00 0.00 32.46 25.63 3df1 n ARG 126 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3df1 s VAL 127 N -3.30 2.13 -0.13 1.55 -7.23 -1.08 -5.03 120.40 107.31 3df1 s VAL 127 Ca 0.36 -2.21 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 3df1 s VAL 127 Cb -0.05 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.27 3df1 s VAL 127 CO 0.70 -0.25 2.12 -0.04 -0.31 0.00 0.00 175.10 177.32 3df1 s MET 128 N -3.62 3.51 0.38 4.82 -1.94 -1.26 -4.74 119.30 116.44 3df1 s MET 128 Ca 0.31 2.24 0.19 0.00 -1.71 0.00 0.00 55.69 56.72 3df1 s MET 128 Cb 0.02 -4.29 1.15 0.00 2.01 0.00 0.00 34.83 33.71 3df1 s MET 128 CO 0.15 -1.68 1.70 0.27 -0.01 0.00 0.00 175.02 175.45 3df1 h PHE 129 N 13.39 0.76 0.09 -0.03 -0.00 -1.95 0.17 116.94 129.36 3df1 h PHE 129 Ca -0.44 0.03 -0.28 0.00 -0.00 0.00 0.00 57.97 57.28 3df1 h PHE 129 Cb 1.24 -0.21 0.02 0.00 -0.00 0.00 0.00 35.95 37.00 3df1 h PHE 129 CO 0.95 -0.08 -1.17 -0.09 -0.00 0.00 0.00 178.31 177.92 3df1 h ARG 130 N 0.32 0.52 -0.50 6.09 9.65 -2.01 -3.31 114.38 125.13 3df1 h ARG 130 Ca 0.70 -0.68 0.06 0.00 -1.10 0.00 0.00 59.98 58.96 3df1 h ARG 130 Cb 1.77 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 30.48 3df1 h ARG 130 CO -0.45 1.29 -0.54 -0.09 2.80 0.00 0.00 179.97 182.98 3df1 h ARG 131 N 0.24 -0.31 -0.48 0.20 9.65 -1.03 -1.06 114.38 121.58 3df1 h ARG 131 Ca -0.15 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 58.85 3df1 h ARG 131 Cb 1.84 0.07 -0.09 0.00 -1.39 0.00 0.00 29.97 30.40 3df1 h ARG 131 CO 0.21 -0.21 -0.15 0.00 2.80 0.00 0.00 179.97 182.63 3df1 h ALA 132 N 0.14 0.27 -0.32 2.80 0.00 -1.65 -1.05 119.26 119.46 3df1 h ALA 132 Ca 0.10 0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3df1 h ALA 132 Cb 0.57 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3df1 h ALA 132 CO -0.65 -0.47 -0.50 0.52 0.00 0.00 0.00 179.25 178.15 3df1 h MET 133 N -0.03 -0.38 -0.89 0.00 2.86 -1.29 -0.11 114.93 115.09 3df1 h MET 133 Ca 0.23 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.92 3df1 h MET 133 Cb 0.39 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.09 3df1 h MET 133 CO -0.52 -0.25 0.59 -0.22 1.06 0.00 0.00 176.91 177.57 3df1 h LYS 134 N -0.39 1.14 0.24 1.72 3.64 -1.14 -2.77 116.57 119.01 3df1 h LYS 134 Ca 0.06 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3df1 h LYS 134 Cb 0.55 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3df1 h LYS 134 CO -0.51 0.76 -0.35 -0.09 -2.27 0.00 0.00 179.45 176.99 3df1 h ARG 135 N 1.18 -0.59 -0.74 1.90 9.65 0.16 0.14 114.38 126.08 3df1 h ARG 135 Ca 0.34 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.43 3df1 h ARG 135 Cb -0.08 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 28.51 3df1 h ARG 135 CO -0.08 -0.40 0.04 0.00 2.80 0.00 0.00 179.97 182.34 3df1 h ALA 136 N -1.05 0.82 0.61 2.80 0.00 -0.97 -1.17 119.26 120.30 3df1 h ALA 136 Ca -0.03 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3df1 h ALA 136 Cb 0.56 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3df1 h ALA 136 CO -0.11 -0.41 -0.29 0.28 0.00 0.00 0.00 179.25 178.72 3df1 h VAL 137 N 0.13 0.40 0.01 0.00 2.07 -1.18 -1.82 116.25 115.86 3df1 h VAL 137 Ca 0.41 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.93 3df1 h VAL 137 Cb 0.72 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3df1 h VAL 137 CO -0.63 0.00 -0.40 1.56 0.02 0.00 0.00 177.57 178.13 3df1 h GLN 138 N -0.83 -0.49 -0.99 1.57 7.50 0.19 0.70 115.11 122.76 3df1 h GLN 138 Ca -0.08 0.03 0.14 0.00 0.50 0.00 0.00 58.65 59.24 3df1 h GLN 138 Cb 0.63 0.11 -0.09 0.00 0.05 0.00 0.00 27.48 28.19 3df1 h GLN 138 CO 0.14 -0.33 0.62 -0.91 -1.50 0.00 0.00 178.83 176.85 3df1 h ASN 139 N -0.51 0.85 0.22 1.46 -0.26 -1.31 -0.39 115.58 115.63 3df1 h ASN 139 Ca 0.01 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.80 3df1 h ASN 139 Cb 0.54 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.70 3df1 h ASN 139 CO -0.26 0.41 -0.10 0.00 -1.06 0.00 0.00 177.43 176.41 3df1 h ALA 140 N 1.58 -0.29 -0.00 -0.83 0.00 -0.73 -2.04 119.26 116.95 3df1 h ALA 140 Ca 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3df1 h ALA 140 Cb 0.64 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3df1 h ALA 140 CO -0.28 -0.38 0.11 1.98 0.00 0.00 0.00 179.25 180.67 3df1 h MET 141 N -0.85 0.00 0.00 0.00 -1.53 0.68 -2.48 114.93 110.76 3df1 h MET 141 Ca -0.03 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 3df1 h MET 141 Cb 0.51 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 3df1 h MET 141 CO 0.05 0.00 -0.31 -0.09 0.14 0.00 0.00 176.91 176.70 3df1 h ARG 142 N 0.00 0.00 0.00 0.39 2.43 -1.02 -3.33 114.38 112.85 3df1 h ARG 142 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3df1 h ARG 142 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3df1 h ARG 142 CO -0.00 0.31 0.00 1.28 -1.51 0.00 0.00 179.97 180.05 3df1 n LEU 143 N -4.66 0.00 0.00 3.80 7.99 -0.77 -4.91 117.00 118.45 3df1 n LEU 143 Ca -0.08 0.18 0.00 0.00 -0.01 0.00 0.00 56.01 56.10 3df1 n LEU 143 Cb 0.25 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.38 3df1 n LEU 143 CO 0.12 -0.17 0.00 0.61 -1.51 0.00 0.00 177.39 176.44 3df1 n GLY 144 N -1.00 0.57 1.09 -0.72 0.00 -0.96 -5.07 105.19 99.09 3df1 n GLY 144 Ca 0.01 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3df1 n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 n ALA 145 N -1.00 -1.69 0.91 4.61 0.00 -1.26 -3.98 120.51 118.09 3df1 n ALA 145 Ca 0.00 0.32 0.11 0.00 0.00 0.00 0.00 53.44 53.87 3df1 n ALA 145 Cb 0.00 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.33 3df1 n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3df1 n LYS 146 N -1.37 0.06 -3.56 0.00 5.02 0.86 -4.87 118.16 114.30 3df1 n LYS 146 Ca 0.00 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.17 3df1 n LYS 146 Cb 0.11 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.56 3df1 n LYS 146 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3df1 s GLY 147 N -3.14 -0.34 -0.23 0.72 0.00 0.04 -1.98 107.32 102.39 3df1 s GLY 147 Ca 0.08 1.74 -0.16 0.00 0.00 0.00 0.00 44.72 46.38 3df1 s GLY 147 CO 0.81 0.88 0.58 -1.50 0.00 0.00 0.00 173.10 173.87 3df1 s ILE 148 N -1.52 -0.01 -0.27 0.90 2.07 0.03 0.50 121.20 122.89 3df1 s ILE 148 Ca -0.01 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3df1 s ILE 148 Cb -0.01 -0.83 0.08 0.00 0.13 0.00 0.00 42.46 41.83 3df1 s ILE 148 CO 0.00 0.01 0.04 -0.75 -1.91 0.00 0.00 174.94 172.34 3df1 s LYS 149 N 1.07 1.01 0.04 3.50 2.20 0.19 -1.12 119.74 126.63 3df1 s LYS 149 Ca -0.06 -1.03 -0.09 0.00 -0.36 0.00 0.00 55.97 54.43 3df1 s LYS 149 Cb -0.06 -2.30 -0.05 0.00 -1.51 0.00 0.00 37.83 33.91 3df1 s LYS 149 CO -0.10 -0.82 0.34 0.08 -0.36 0.00 0.00 175.35 174.49 3df1 s VAL 150 N 1.52 5.18 -0.18 4.02 1.01 -0.88 -1.15 120.40 129.92 3df1 s VAL 150 Ca 0.04 0.36 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 3df1 s VAL 150 Cb -0.18 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.65 3df1 s VAL 150 CO -0.15 0.35 0.43 -0.70 0.00 0.00 0.00 175.10 175.03 3df1 s GLU 151 N -1.76 0.43 -0.17 2.72 2.12 -0.43 -3.89 118.70 117.72 3df1 s GLU 151 Ca 0.30 0.80 0.01 0.00 0.36 0.00 0.00 54.97 56.44 3df1 s GLU 151 Cb -0.14 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.29 3df1 s GLU 151 CO 0.17 -0.14 -0.20 0.08 -0.54 0.00 0.00 175.26 174.63 3df1 s VAL 152 N 1.26 1.98 0.00 3.70 1.01 -1.26 -1.13 120.40 125.96 3df1 s VAL 152 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3df1 s VAL 152 Cb -0.07 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.52 3df1 s VAL 152 CO -0.11 0.53 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 3df1 n SER 153 N 4.52 -0.96 -3.24 3.32 3.41 -0.73 0.11 113.62 120.05 3df1 n SER 153 Ca -0.20 -0.05 -0.15 0.00 -0.26 0.00 0.00 58.87 58.21 3df1 n SER 153 Cb 0.50 0.00 0.14 0.00 -0.26 0.00 0.00 64.21 64.59 3df1 n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3df1 n GLY 154 N 0.48 -2.84 2.59 5.00 0.00 -1.15 -4.15 105.19 105.11 3df1 n GLY 154 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 3df1 n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3df1 n ARG 155 N -2.77 -1.21 -1.68 1.61 5.12 -1.26 -4.62 116.66 111.85 3df1 n ARG 155 Ca 0.07 0.46 -0.45 0.00 -1.93 0.00 0.00 57.85 56.00 3df1 n ARG 155 Cb 0.29 -4.45 -0.04 0.00 -1.16 0.00 0.00 32.46 27.10 3df1 n ARG 155 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3df1 n LEU 156 N -0.33 3.70 0.00 0.55 4.77 -1.26 0.46 117.00 124.89 3df1 n LEU 156 Ca -0.03 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 3df1 n LEU 156 Cb 0.35 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 3df1 n LEU 156 CO 0.04 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 3df1 n GLY 157 N 4.21 0.41 2.24 -0.72 0.00 -1.26 -2.96 105.19 107.11 3df1 n GLY 157 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3df1 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3df1 n GLY 158 N -1.59 -0.06 3.76 -0.02 0.00 0.17 -4.98 105.19 102.48 3df1 n GLY 158 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3df1 n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 s ALA 159 N -2.60 2.97 0.44 4.61 0.00 -1.15 -4.89 121.76 121.14 3df1 s ALA 159 Ca 0.00 1.19 0.18 0.00 0.00 0.00 0.00 51.96 53.34 3df1 s ALA 159 Cb 0.00 -3.49 1.12 0.00 0.00 0.00 0.00 23.12 20.75 3df1 s ALA 159 CO 0.00 -1.03 1.90 0.93 0.00 0.00 0.00 175.76 177.56 3df1 h GLU 160 N 1.92 0.34 -4.62 0.00 5.08 -1.94 -3.34 114.58 112.02 3df1 h GLU 160 Ca -0.50 -0.02 -0.70 0.00 -1.00 0.00 0.00 59.36 57.14 3df1 h GLU 160 Cb 1.27 -0.08 -0.29 0.00 0.50 0.00 0.00 28.75 30.16 3df1 h GLU 160 CO 0.59 0.22 -0.57 0.42 -1.00 0.00 0.00 179.01 178.67 3df1 s ILE 161 N -5.35 3.84 0.48 3.13 1.09 -1.26 -5.08 121.20 118.05 3df1 s ILE 161 Ca -0.08 -1.25 -0.23 0.00 -1.10 0.00 0.00 60.65 58.00 3df1 s ILE 161 Cb 0.21 -3.24 -0.08 0.00 -1.06 0.00 0.00 42.46 38.29 3df1 s ILE 161 CO 0.77 -0.28 1.16 0.00 -0.10 0.00 0.00 174.94 176.49 3df1 n ALA 162 N 4.82 0.85 -3.51 9.38 0.00 -1.25 -4.70 120.51 126.08 3df1 n ALA 162 Ca -0.11 0.18 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 3df1 n ALA 162 Cb 0.44 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.59 3df1 n ALA 162 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3df1 s ARG 163 N -2.38 0.51 0.19 0.00 1.04 -1.26 -4.70 118.95 112.36 3df1 s ARG 163 Ca 0.66 0.76 -0.24 0.00 -1.04 0.00 0.00 55.73 55.87 3df1 s ARG 163 Cb -0.49 0.15 -0.08 0.00 -2.04 0.00 0.00 34.95 32.49 3df1 s ARG 163 CO 0.54 -0.11 0.78 -0.08 -0.04 0.00 0.00 175.30 176.40 3df1 s THR 164 N 0.80 4.39 0.00 4.99 -1.32 -1.26 -2.92 115.64 120.32 3df1 s THR 164 Ca -0.04 1.63 0.00 0.00 -1.21 0.00 0.00 61.69 62.07 3df1 s THR 164 Cb -0.05 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.87 3df1 s THR 164 CO -0.06 0.42 0.00 1.21 -2.21 0.00 0.00 174.62 173.98 3df1 n GLU 165 N 1.31 2.64 0.00 7.08 4.07 0.30 -4.93 120.64 131.12 3df1 n GLU 165 Ca -0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3df1 n GLU 165 Cb 0.49 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.87 3df1 n GLU 165 CO 0.00 0.00 0.00 1.87 -0.06 0.00 0.00 177.13 178.94 3df1 n TRP 166 N 0.00 0.00 -0.19 4.31 -0.00 -1.26 -4.45 117.44 115.85 3df1 n TRP 166 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3df1 n TRP 166 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3df1 n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3df1 n TYR 167 N 0.00 -0.15 -3.64 5.87 9.36 -1.25 -4.15 117.16 123.19 3df1 n TYR 167 Ca 0.00 0.08 -0.06 0.00 3.32 0.00 0.00 57.90 61.25 3df1 n TYR 167 Cb 0.00 -1.70 -0.07 0.00 -0.63 0.00 0.00 39.34 36.94 3df1 n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3df1 s ARG 168 N -3.66 0.34 0.27 2.98 3.00 -1.26 -2.07 118.95 118.55 3df1 s ARG 168 Ca 0.00 0.45 0.09 0.00 -1.00 0.00 0.00 55.73 55.27 3df1 s ARG 168 Cb 0.00 0.14 -0.05 0.00 0.00 0.00 0.00 34.95 35.04 3df1 s ARG 168 CO 0.00 -0.05 -0.13 -1.21 0.00 0.00 0.00 175.30 173.91 3df1 s GLU 169 N 0.45 1.58 0.17 5.12 2.02 -0.27 -4.98 118.70 122.79 3df1 s GLU 169 Ca 0.01 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.24 3df1 s GLU 169 Cb -0.05 -1.44 0.00 0.00 0.10 0.00 0.00 34.13 32.75 3df1 s GLU 169 CO -0.11 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.77 3df1 n GLY 170 N -0.58 -2.15 3.63 -1.39 0.00 -1.26 -0.79 105.19 102.65 3df1 n GLY 170 Ca -0.06 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 3df1 n GLY 170 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3df1 s ARG 171 N -2.38 4.06 -0.74 1.61 1.70 -0.84 -4.59 118.95 117.77 3df1 s ARG 171 Ca 0.00 0.96 0.04 0.00 -0.47 0.00 0.00 55.73 56.25 3df1 s ARG 171 Cb 0.00 -3.72 0.24 0.00 -0.57 0.00 0.00 34.95 30.90 3df1 s ARG 171 CO 0.00 -0.78 0.79 0.28 -1.08 0.00 0.00 175.30 174.51 3df1 n VAL 172 N 5.67 2.67 -2.07 4.99 0.31 -1.26 -4.08 118.33 124.55 3df1 n VAL 172 Ca 0.09 -5.22 -0.34 0.00 -0.01 0.00 0.00 64.34 58.85 3df1 n VAL 172 Cb 0.47 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 31.20 3df1 n VAL 172 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3df1 n PRO 173 N 1.34 2.05 0.17 5.55 -0.04 -1.26 -4.73 135.00 138.08 3df1 n PRO 173 Ca 0.26 -2.60 0.12 0.00 -0.04 0.00 0.00 63.50 61.24 3df1 n PRO 173 Cb 0.38 -3.55 0.61 0.00 -0.04 0.00 0.00 33.50 30.90 3df1 n PRO 173 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3df1 h LEU 174 N 15.63 0.00 0.01 1.53 6.46 -2.00 -3.00 115.31 133.95 3df1 h LEU 174 Ca 0.32 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 58.08 3df1 h LEU 174 Cb 0.87 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 3df1 h LEU 174 CO 1.40 0.00 -0.01 0.45 -0.62 0.00 0.00 178.44 179.67 3df1 h HIS 175 N 0.00 -0.01 -0.66 1.25 3.86 -2.01 -3.45 115.15 114.12 3df1 h HIS 175 Ca 0.00 -0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 3df1 h HIS 175 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3df1 h HIS 175 CO 0.00 -0.01 1.30 2.41 0.86 0.00 0.00 177.93 182.49 3df1 n THR 176 N -4.14 0.11 -0.19 2.45 -1.04 -1.13 -4.81 114.28 105.52 3df1 n THR 176 Ca -0.00 -0.12 -0.07 0.00 -2.04 0.00 0.00 64.05 61.82 3df1 n THR 176 Cb 0.01 -1.07 0.02 0.00 -1.82 0.00 0.00 70.33 67.47 3df1 n THR 176 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3df1 h LEU 177 N 10.14 0.69 -5.41 -4.42 3.38 -1.87 -3.09 115.31 114.73 3df1 h LEU 177 Ca -0.22 -0.09 -0.69 0.00 0.09 0.00 0.00 57.88 56.96 3df1 h LEU 177 Cb 1.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 3df1 h LEU 177 CO 1.04 0.59 3.45 -1.14 0.09 0.00 0.00 178.44 182.47 3df1 n ARG 178 N -4.61 3.54 0.00 1.13 0.63 -1.26 -3.63 116.66 112.46 3df1 n ARG 178 Ca 0.03 -2.49 0.00 0.00 -0.92 0.00 0.00 57.85 54.47 3df1 n ARG 178 Cb 0.09 -2.93 0.00 0.00 0.45 0.00 0.00 32.46 30.06 3df1 n ARG 178 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3df1 n ALA 179 N 4.15 0.58 -1.88 5.13 0.00 -0.64 -3.63 120.51 124.22 3df1 n ALA 179 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.12 3df1 n ALA 179 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3df1 n ALA 179 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3df1 n ASP 180 N -0.34 -6.91 -3.86 0.00 5.75 -1.24 -3.86 116.55 106.09 3df1 n ASP 180 Ca 0.00 1.30 -0.12 0.00 -0.01 0.00 0.00 54.79 55.97 3df1 n ASP 180 Cb 0.00 -4.24 -0.11 0.00 -1.03 0.00 0.00 41.12 35.74 3df1 n ASP 180 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3df1 s ILE 181 N -1.17 0.06 -0.60 2.12 1.09 -1.26 -3.57 121.20 117.86 3df1 s ILE 181 Ca 0.00 -0.46 -0.15 0.00 -1.10 0.00 0.00 60.65 58.94 3df1 s ILE 181 Cb 0.00 -0.36 0.15 0.00 -1.06 0.00 0.00 42.46 41.19 3df1 s ILE 181 CO 0.00 -0.25 0.55 -0.62 -0.10 0.00 0.00 174.94 174.52 3df1 s ASP 182 N -0.88 6.28 -0.09 3.58 3.68 0.20 -4.83 116.67 124.61 3df1 s ASP 182 Ca -0.10 -2.00 0.01 0.00 2.13 0.00 0.00 52.55 52.59 3df1 s ASP 182 Cb -0.05 -2.20 -0.03 0.00 -1.45 0.00 0.00 42.92 39.19 3df1 s ASP 182 CO 0.01 -0.78 -0.09 -0.47 0.13 0.00 0.00 175.17 173.96 3df1 s TYR 183 N 1.26 2.87 0.20 -5.34 5.04 -1.25 -1.46 117.35 118.68 3df1 s TYR 183 Ca 0.07 -0.18 -0.23 0.00 -2.44 0.00 0.00 57.07 54.28 3df1 s TYR 183 Cb -0.25 -1.75 0.05 0.00 0.35 0.00 0.00 41.96 40.35 3df1 s TYR 183 CO 0.00 0.15 0.85 -0.80 -1.34 0.00 0.00 175.55 174.41 3df1 s ASN 184 N -0.43 -0.23 0.39 4.32 0.02 -1.13 -4.79 114.94 113.08 3df1 s ASN 184 Ca 0.06 -0.47 0.04 0.00 -1.02 0.00 0.00 52.86 51.46 3df1 s ASN 184 Cb -0.12 0.59 -0.03 0.00 0.02 0.00 0.00 41.25 41.71 3df1 s ASN 184 CO 0.02 -1.09 0.13 0.42 0.02 0.00 0.00 177.10 176.60 3df1 s THR 185 N -3.57 0.62 -0.30 1.60 -4.23 -1.26 -1.86 115.64 106.64 3df1 s THR 185 Ca 0.11 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.49 3df1 s THR 185 Cb -0.03 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.53 3df1 s THR 185 CO 0.04 0.00 0.84 -0.94 -0.54 0.00 0.00 174.62 174.02 3df1 s SER 186 N -3.56 -0.81 -0.35 3.99 1.04 -1.16 -4.44 113.70 108.41 3df1 s SER 186 Ca 0.27 1.13 -0.22 0.00 0.48 0.00 0.00 55.95 57.61 3df1 s SER 186 Cb 0.03 1.84 0.01 0.00 0.10 0.00 0.00 66.02 68.00 3df1 s SER 186 CO 0.15 -0.16 0.73 -1.61 0.98 0.00 0.00 173.24 173.33 3df1 s GLU 187 N 2.46 3.75 -0.97 4.02 2.02 -1.26 -2.60 118.70 126.11 3df1 s GLU 187 Ca -0.05 0.24 -0.14 0.00 0.02 0.00 0.00 54.97 55.05 3df1 s GLU 187 Cb -0.08 -3.80 0.21 0.00 0.10 0.00 0.00 34.13 30.56 3df1 s GLU 187 CO -0.18 -0.78 1.01 0.00 0.02 0.00 0.00 175.26 175.32 3df1 s ALA 188 N 2.93 4.10 -1.14 5.21 0.00 -0.15 -4.88 121.76 127.83 3df1 s ALA 188 Ca 0.29 -3.35 -0.25 0.00 0.00 0.00 0.00 51.96 48.65 3df1 s ALA 188 Cb -0.14 -3.71 -0.17 0.00 0.00 0.00 0.00 23.12 19.10 3df1 s ALA 188 CO 0.16 -2.46 2.03 -1.01 0.00 0.00 0.00 175.76 174.48 3df1 s HIS 189 N 0.48 1.54 0.88 0.00 0.09 -1.26 -1.17 115.29 115.85 3df1 s HIS 189 Ca 0.27 1.51 -0.12 0.00 -0.00 0.00 0.00 55.06 56.72 3df1 s HIS 189 Cb -0.08 -3.62 0.12 0.00 -0.00 0.00 0.00 32.58 29.00 3df1 s HIS 189 CO -0.08 -0.88 1.11 0.99 -0.00 0.00 0.00 174.74 175.88 3df1 s THR 190 N 14.46 2.45 0.22 1.30 2.01 -0.07 -4.89 115.64 131.12 3df1 s THR 190 Ca 0.76 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.81 3df1 s THR 190 Cb -0.03 -2.84 0.18 0.00 0.01 0.00 0.00 72.50 69.82 3df1 s THR 190 CO 0.16 -0.19 1.88 0.71 -0.69 0.00 0.00 174.62 176.49 3df1 h THR 191 N -1.40 1.22 -0.39 -0.82 1.35 -1.97 -2.22 112.91 108.68 3df1 h THR 191 Ca -0.50 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3df1 h THR 191 Cb 1.30 0.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3df1 h THR 191 CO 0.60 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 176.09 3df1 n TYR 192 N -4.49 0.77 0.00 4.73 0.18 -1.26 -5.00 117.16 112.09 3df1 n TYR 192 Ca 0.08 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.53 3df1 n TYR 192 Cb 0.04 -0.11 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 3df1 n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3df1 n GLY 193 N 0.91 3.71 3.80 -7.48 0.00 -0.83 -5.04 105.19 100.26 3df1 n GLY 193 Ca 0.15 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 3df1 n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3df1 s VAL 194 N -2.14 3.71 -0.26 1.61 1.01 -1.26 -0.90 120.40 122.17 3df1 s VAL 194 Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 61.98 62.95 3df1 s VAL 194 Cb 0.00 -3.41 0.09 0.00 0.00 0.00 0.00 36.38 33.05 3df1 s VAL 194 CO 0.00 -0.29 0.09 -0.63 0.00 0.00 0.00 175.10 174.27 3df1 s ILE 195 N -2.07 0.34 0.82 2.22 1.01 -0.32 -4.79 121.20 118.43 3df1 s ILE 195 Ca 0.67 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 60.37 3df1 s ILE 195 Cb -0.17 -1.15 0.09 0.00 0.01 0.00 0.00 42.46 41.23 3df1 s ILE 195 CO 0.25 -0.55 1.09 -0.83 0.00 0.00 0.00 174.94 174.90 3df1 s GLY 196 N 1.91 1.64 -0.03 6.18 0.00 -1.26 -0.98 107.32 114.77 3df1 s GLY 196 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.70 3df1 s GLY 196 CO -0.24 0.46 0.27 0.14 0.00 0.00 0.00 173.10 173.73 3df1 s VAL 197 N -2.96 0.05 -0.05 1.40 1.01 -1.07 -1.78 120.40 117.00 3df1 s VAL 197 Ca 0.62 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3df1 s VAL 197 Cb -0.17 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.70 3df1 s VAL 197 CO 0.56 -0.24 0.11 -0.54 0.00 0.00 0.00 175.10 174.99 3df1 s LYS 198 N -1.06 0.06 -0.00 2.72 1.02 -0.29 -3.00 119.74 119.19 3df1 s LYS 198 Ca -0.11 0.29 0.07 0.00 0.02 0.00 0.00 55.97 56.23 3df1 s LYS 198 Cb -0.05 -0.16 -0.02 0.00 -0.52 0.00 0.00 37.83 37.09 3df1 s LYS 198 CO 0.03 -0.14 -0.20 0.14 -0.92 0.00 0.00 175.35 174.26 3df1 s VAL 199 N 0.95 1.62 -0.25 3.17 -7.23 -0.78 -1.31 120.40 116.58 3df1 s VAL 199 Ca -0.07 -0.95 -0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3df1 s VAL 199 Cb -0.10 -1.36 0.07 0.00 0.56 0.00 0.00 36.38 35.55 3df1 s VAL 199 CO -0.04 0.40 0.01 0.26 -0.31 0.00 0.00 175.10 175.42 3df1 s TRP 200 N -0.55 1.95 -0.38 2.82 0.51 -0.30 -2.86 118.94 120.12 3df1 s TRP 200 Ca 0.08 -1.59 -0.05 0.00 -2.12 0.00 0.00 56.10 52.42 3df1 s TRP 200 Cb -0.08 -1.55 0.08 0.00 -0.81 0.00 0.00 33.47 31.11 3df1 s TRP 200 CO -0.00 -0.76 0.17 0.42 -0.51 0.00 0.00 176.95 176.27 3df1 s ILE 201 N 1.54 3.62 -0.42 2.03 1.01 -0.53 0.54 121.20 128.99 3df1 s ILE 201 Ca 0.00 -1.60 -0.20 0.00 0.00 0.00 0.00 60.65 58.85 3df1 s ILE 201 Cb -0.18 -3.26 0.02 0.00 0.01 0.00 0.00 42.46 39.05 3df1 s ILE 201 CO -0.11 -0.46 0.63 0.12 0.00 0.00 0.00 174.94 175.12 3df1 s PHE 202 N 1.29 3.09 -0.13 3.97 5.36 0.18 0.60 117.98 132.34 3df1 s PHE 202 Ca 0.03 0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 55.92 3df1 s PHE 202 Cb -0.22 -3.28 -0.06 0.00 -0.34 0.00 0.00 43.02 39.12 3df1 s PHE 202 CO -0.01 -0.81 0.07 0.87 -1.46 0.00 0.00 175.22 173.88 3df1 h LYS 203 N 8.79 0.00 -2.36 10.12 1.57 -1.78 0.31 116.57 133.22 3df1 h LYS 203 Ca -0.26 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 3df1 h LYS 203 Cb 1.10 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.24 3df1 h LYS 203 CO 0.88 0.23 0.17 0.20 -0.57 0.00 0.00 179.45 180.36 3df1 s GLY 204 N -3.96 -0.57 0.00 3.86 0.00 -1.25 -3.33 107.32 102.06 3df1 s GLY 204 Ca -0.10 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.63 3df1 s GLY 204 CO 0.21 0.67 0.00 1.18 0.00 0.00 0.00 173.10 175.16 3df1 n GLU 205 N 0.52 0.00 0.00 2.90 -0.58 -1.26 -4.09 120.64 118.13 3df1 n GLU 205 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 3df1 n GLU 205 Cb 0.59 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 31.13 3df1 n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16