#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n n ARG 2 N 0.00 0.00 -0.61 3.17 1.74 -1.26 -4.96 116.66 114.74 3i1n n ARG 2 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3i1n n ARG 2 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3i1n n ARG 2 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3i1n n HIS 3 N 0.00 0.22 -0.85 -1.55 8.25 -1.26 0.11 115.22 120.14 3i1n n HIS 3 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3i1n n HIS 3 Cb 0.00 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.18 3i1n n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1n n ARG 4 N 3.41 0.00 -3.52 -0.41 5.12 -1.26 -5.03 116.66 114.98 3i1n n ARG 4 Ca 0.27 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.84 3i1n n ARG 4 Cb 0.01 -2.51 -0.05 0.00 -1.16 0.00 0.00 32.46 28.75 3i1n n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i1n s LYS 5 N -0.15 3.82 0.37 5.56 1.02 0.30 -5.09 119.74 125.57 3i1n s LYS 5 Ca 0.00 0.26 0.08 0.00 0.02 0.00 0.00 55.97 56.33 3i1n s LYS 5 Cb 0.00 -2.97 -0.06 0.00 -0.52 0.00 0.00 37.83 34.28 3i1n s LYS 5 CO 0.00 0.53 0.06 -1.54 -0.92 0.00 0.00 175.35 173.48 3i1n s SER 6 N -1.76 4.19 0.00 2.83 1.04 -1.26 -5.05 113.70 113.69 3i1n s SER 6 Ca 0.35 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3i1n s SER 6 Cb -0.14 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.49 3i1n s SER 6 CO 0.18 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3i1n n GLY 7 N -1.04 1.55 3.66 7.32 0.00 -1.26 -5.04 105.19 110.38 3i1n n GLY 7 Ca -0.03 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 3i1n n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1n s ARG 8 N -2.98 4.22 0.50 1.61 3.52 -1.26 -4.96 118.95 119.61 3i1n s ARG 8 Ca 0.00 0.75 0.24 0.00 -0.13 0.00 0.00 55.73 56.59 3i1n s ARG 8 Cb 0.00 -3.59 1.31 0.00 -1.56 0.00 0.00 34.95 31.11 3i1n s ARG 8 CO 0.00 -0.31 2.04 0.37 -0.81 0.00 0.00 175.30 176.59 3i1n h GLN 9 N 7.50 0.00 -4.03 5.12 4.15 -1.96 -3.47 115.11 122.42 3i1n h GLN 9 Ca -0.29 0.00 -0.17 0.00 0.77 0.00 0.00 58.65 58.95 3i1n h GLN 9 Cb 1.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.81 3i1n h GLN 9 CO 0.80 0.15 -0.22 1.28 -1.93 0.00 0.00 178.83 178.91 3i1n n LEU 10 N -3.82 -0.79 -3.65 -2.39 7.99 -1.26 -2.11 117.00 110.96 3i1n n LEU 10 Ca -0.02 0.28 -0.27 0.00 -0.01 0.00 0.00 56.01 55.99 3i1n n LEU 10 Cb 0.25 -1.78 0.02 0.00 -0.11 0.00 0.00 43.42 41.79 3i1n n LEU 10 CO 0.32 -0.11 0.06 0.59 -1.51 0.00 0.00 177.39 176.73 3i1n n ASN 11 N -1.61 -4.72 0.00 -1.43 5.03 -1.26 -4.92 115.26 106.34 3i1n n ASN 11 Ca -0.10 -0.61 0.00 0.00 0.87 0.00 0.00 54.58 54.74 3i1n n ASN 11 Cb 0.56 -3.81 0.00 0.00 -1.02 0.00 0.00 39.78 35.52 3i1n n ASN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3i1n n ARG 12 N -4.34 0.41 -3.85 3.52 1.74 -0.90 -5.14 116.66 108.10 3i1n n ARG 12 Ca 0.01 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 3i1n n ARG 12 Cb 0.54 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.87 3i1n n ARG 12 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3i1n s ASN 13 N 1.00 -0.05 0.09 0.55 4.22 -1.26 -4.99 114.94 114.50 3i1n s ASN 13 Ca 0.00 0.02 -0.11 0.00 -2.14 0.00 0.00 52.86 50.62 3i1n s ASN 13 Cb 0.00 0.26 0.05 0.00 1.28 0.00 0.00 41.25 42.83 3i1n s ASN 13 CO 0.00 -0.23 0.74 -1.20 -2.04 0.00 0.00 177.10 174.36 3i1n n SER 14 N 2.11 -0.40 0.00 3.54 7.64 -1.26 -0.97 113.62 124.28 3i1n n SER 14 Ca -0.18 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.54 3i1n n SER 14 Cb 0.57 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 3i1n n SER 14 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i1n n SER 15 N -4.66 0.00 -0.20 6.43 7.64 -1.26 -0.65 113.62 120.92 3i1n n SER 15 Ca 0.03 0.62 -0.02 0.00 1.01 0.00 0.00 58.87 60.51 3i1n n SER 15 Cb 0.16 -0.12 0.04 0.00 -1.01 0.00 0.00 64.21 63.29 3i1n n SER 15 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3i1n h HIS 16 N 0.00 -0.54 -0.52 1.43 6.17 -1.48 0.49 115.15 120.70 3i1n h HIS 16 Ca 0.00 0.06 0.08 0.00 0.71 0.00 0.00 60.37 61.22 3i1n h HIS 16 Cb 0.00 0.33 -0.10 0.00 2.52 0.00 0.00 27.41 30.16 3i1n h HIS 16 CO -0.22 -0.31 -0.45 0.00 0.71 0.00 0.00 177.93 177.65 3i1n h ARG 17 N -0.07 -0.26 -0.65 5.26 3.08 -1.10 0.19 114.38 120.84 3i1n h ARG 17 Ca 0.28 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3i1n h ARG 17 Cb 0.50 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 3i1n h ARG 17 CO -0.65 -0.17 0.34 0.37 -1.07 0.00 0.00 179.97 178.78 3i1n h GLN 18 N -0.27 0.91 0.27 0.04 4.15 0.12 -0.95 115.11 119.39 3i1n h GLN 18 Ca 0.15 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3i1n h GLN 18 Cb 0.57 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3i1n h GLN 18 CO -0.65 0.70 -0.48 0.00 -1.93 0.00 0.00 178.83 176.47 3i1n h ALA 19 N 1.16 -1.04 0.11 3.38 0.00 -0.30 -0.11 119.26 122.46 3i1n h ALA 19 Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3i1n h ALA 19 Cb 0.07 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3i1n h ALA 19 CO -0.03 -1.12 -0.24 0.00 0.00 0.00 0.00 179.25 177.85 3i1n h MET 20 N -0.81 -0.42 -0.01 0.00 -0.00 -0.19 0.88 114.93 114.37 3i1n h MET 20 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3i1n h MET 20 Cb 0.76 0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.45 3i1n h MET 20 CO -0.17 -0.28 0.02 0.74 -0.00 0.00 0.00 176.91 177.21 3i1n h PHE 21 N -0.44 0.00 -0.40 -0.10 -1.00 -1.10 0.64 116.94 114.54 3i1n h PHE 21 Ca 0.03 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.69 3i1n h PHE 21 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3i1n h PHE 21 CO -0.23 0.00 -0.21 -0.09 -1.61 0.00 0.00 178.31 176.17 3i1n h ARG 22 N 0.00 0.86 -0.07 1.51 2.43 0.11 -1.61 114.38 117.61 3i1n h ARG 22 Ca 0.01 -0.38 -0.12 0.00 -0.81 0.00 0.00 59.98 58.67 3i1n h ARG 22 Cb 0.05 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3i1n h ARG 22 CO -0.00 1.02 -0.43 -0.91 -1.51 0.00 0.00 179.97 178.14 3i1n h ASN 23 N 0.67 0.49 -0.70 -3.80 -0.26 0.83 -2.70 115.58 110.11 3i1n h ASN 23 Ca 0.09 -0.67 0.06 0.00 -0.56 0.00 0.00 56.30 55.22 3i1n h ASN 23 Cb 0.78 -0.15 -0.06 0.00 -1.06 0.00 0.00 38.32 37.84 3i1n h ASN 23 CO 0.06 1.09 0.40 -0.03 -1.06 0.00 0.00 177.43 177.89 3i1n h MET 24 N -0.06 0.71 -0.24 0.81 4.05 -0.01 0.15 114.93 120.32 3i1n h MET 24 Ca -0.03 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3i1n h MET 24 Cb 1.09 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.72 3i1n h MET 24 CO 0.09 0.47 -0.07 0.00 0.23 0.00 0.00 176.91 177.63 3i1n h ALA 25 N 1.36 1.44 -0.41 0.39 0.00 -1.30 0.60 119.26 121.35 3i1n h ALA 25 Ca 0.31 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3i1n h ALA 25 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i1n h ALA 25 CO -0.18 0.39 -0.15 0.78 0.00 0.00 0.00 179.25 180.09 3i1n h GLY 26 N 0.78 0.89 1.02 0.00 0.00 -0.68 -1.30 103.07 103.78 3i1n h GLY 26 Ca 0.08 -0.77 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 3i1n h GLY 26 CO 0.02 0.70 -0.00 1.76 0.00 0.00 0.00 176.54 179.01 3i1n h SER 27 N 0.64 0.88 0.28 0.19 0.02 0.17 0.20 113.55 115.93 3i1n h SER 27 Ca 0.10 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3i1n h SER 27 Cb 0.69 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3i1n h SER 27 CO 0.05 0.97 -0.13 0.25 -1.14 0.00 0.00 176.83 176.83 3i1n h LEU 28 N 0.76 -0.32 -1.11 5.07 5.85 -0.84 0.27 115.31 124.99 3i1n h LEU 28 Ca 0.14 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.92 3i1n h LEU 28 Cb 0.52 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 3i1n h LEU 28 CO 0.03 -0.19 0.60 0.58 -0.34 0.00 0.00 178.44 179.12 3i1n h VAL 29 N -0.41 1.05 0.32 1.05 2.07 -1.09 1.35 116.25 120.59 3i1n h VAL 29 Ca -0.04 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3i1n h VAL 29 Cb 0.31 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 3i1n h VAL 29 CO 0.06 0.19 -0.16 -0.09 0.02 0.00 0.00 177.57 177.60 3i1n h ARG 30 N 1.04 -0.42 -0.00 1.57 2.43 -0.65 -3.33 114.38 115.02 3i1n h ARG 30 Ca 0.41 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 3i1n h ARG 30 Cb 0.23 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i1n h ARG 30 CO -0.16 -0.09 -0.54 0.72 -1.51 0.00 0.00 179.97 178.39 3i1n n HIS 31 N -5.10 0.00 0.00 2.20 8.25 0.91 -4.95 115.22 116.53 3i1n n HIS 31 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3i1n n HIS 31 Cb 0.27 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3i1n n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3i1n n GLU 32 N -1.38 0.00 -3.84 -0.41 1.02 0.46 -4.83 120.64 111.66 3i1n n GLU 32 Ca 0.06 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.07 3i1n n GLU 32 Cb 0.34 -3.23 -0.14 0.00 -0.02 0.00 0.00 31.44 28.38 3i1n n GLU 32 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i1n s ILE 33 N -0.48 -0.01 0.03 -3.67 1.09 -1.26 -0.81 121.20 116.09 3i1n s ILE 33 Ca 0.00 0.04 -0.08 0.00 -1.10 0.00 0.00 60.65 59.51 3i1n s ILE 33 Cb 0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 42.46 41.33 3i1n s ILE 33 CO 0.00 0.02 0.17 0.27 -0.10 0.00 0.00 174.94 175.30 3i1n s ILE 34 N 0.25 0.11 -0.19 2.92 -4.36 -0.79 -4.90 121.20 114.24 3i1n s ILE 34 Ca -0.02 -0.87 -0.09 0.00 -0.26 0.00 0.00 60.65 59.41 3i1n s ILE 34 Cb -0.03 -0.79 -0.05 0.00 1.25 0.00 0.00 42.46 42.85 3i1n s ILE 34 CO -0.01 -0.48 0.12 -0.75 0.24 0.00 0.00 174.94 174.06 3i1n s LYS 35 N -2.25 4.06 0.15 0.37 2.20 -1.26 -1.33 119.74 121.68 3i1n s LYS 35 Ca -0.08 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 3i1n s LYS 35 Cb -0.03 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3i1n s LYS 35 CO -0.02 0.35 0.22 -2.37 -0.36 0.00 0.00 175.35 173.16 3i1n n THR 36 N 3.34 0.00 -1.75 3.43 5.66 -0.18 -5.00 114.28 119.78 3i1n n THR 36 Ca -0.17 -0.75 -0.33 0.00 -3.05 0.00 0.00 64.05 59.75 3i1n n THR 36 Cb 0.52 0.47 0.05 0.00 -1.55 0.00 0.00 70.33 69.82 3i1n n THR 36 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3i1n s THR 37 N -2.60 3.11 0.05 1.09 -4.23 -1.26 -0.61 115.64 111.19 3i1n s THR 37 Ca 0.12 0.53 -0.29 0.00 -1.18 0.00 0.00 61.69 60.88 3i1n s THR 37 Cb -0.01 -3.06 -0.17 0.00 1.34 0.00 0.00 72.50 70.60 3i1n s THR 37 CO 0.09 -0.30 1.46 0.25 -0.54 0.00 0.00 174.62 175.58 3i1n h LEU 38 N 0.08 -0.54 -0.76 4.79 5.85 -1.58 -1.59 115.31 121.55 3i1n h LEU 38 Ca -0.47 -0.05 0.17 0.00 0.84 0.00 0.00 57.88 58.37 3i1n h LEU 38 Cb 1.25 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.31 3i1n h LEU 38 CO 0.54 -0.28 0.22 -0.65 -0.34 0.00 0.00 178.44 177.93 3i1n h PRO 39 N -0.78 0.30 0.51 5.25 0.11 -1.93 0.09 132.00 135.55 3i1n h PRO 39 Ca -0.07 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3i1n h PRO 39 Cb 0.56 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.60 3i1n h PRO 39 CO 0.11 0.20 -0.24 0.87 -0.21 0.00 0.00 178.00 178.72 3i1n h LYS 40 N 0.31 -0.65 -0.86 1.05 1.57 -1.91 -2.05 116.57 114.02 3i1n h LYS 40 Ca 0.44 0.04 0.20 0.00 -1.87 0.00 0.00 60.65 59.46 3i1n h LYS 40 Cb 0.75 0.15 -0.12 0.00 0.08 0.00 0.00 32.23 33.09 3i1n h LYS 40 CO -0.50 -0.42 0.37 0.00 -0.57 0.00 0.00 179.45 178.32 3i1n h ALA 41 N -0.21 1.34 -0.88 3.86 0.00 -0.49 0.28 119.26 123.16 3i1n h ALA 41 Ca -0.07 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i1n h ALA 41 Cb 0.53 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3i1n h ALA 41 CO 0.11 -0.30 0.55 0.87 0.00 0.00 0.00 179.25 180.48 3i1n h LYS 42 N 0.41 1.19 -0.01 0.00 1.57 -0.42 -2.04 116.57 117.27 3i1n h LYS 42 Ca 0.52 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.99 3i1n h LYS 42 Cb 0.94 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 3i1n h LYS 42 CO -0.50 0.82 -0.89 0.93 -0.57 0.00 0.00 179.45 179.25 3i1n h GLU 43 N 1.21 0.36 -1.04 3.15 4.39 -0.46 -3.17 114.58 119.03 3i1n h GLU 43 Ca 0.32 -0.37 0.29 0.00 0.34 0.00 0.00 59.36 59.93 3i1n h GLU 43 Cb -0.07 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 3i1n h GLU 43 CO -0.06 1.05 0.72 1.25 -1.16 0.00 0.00 179.01 180.81 3i1n h LEU 44 N 0.21 0.15 -0.57 1.33 5.85 0.22 0.20 115.31 122.71 3i1n h LEU 44 Ca -0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3i1n h LEU 44 Cb 1.51 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.50 3i1n h LEU 44 CO 0.15 0.04 0.33 0.03 -0.34 0.00 0.00 178.44 178.64 3i1n h ARG 45 N 0.14 0.62 0.00 1.25 3.08 -1.48 -1.65 114.38 116.34 3i1n h ARG 45 Ca 0.52 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3i1n h ARG 45 Cb 1.81 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3i1n h ARG 45 CO -0.10 0.41 0.00 0.54 -1.07 0.00 0.00 179.97 179.75 3i1n n ARG 46 N -4.79 0.01 -0.10 0.04 1.74 0.69 -2.08 116.66 112.16 3i1n n ARG 46 Ca 0.05 0.30 -0.22 0.00 -0.77 0.00 0.00 57.85 57.21 3i1n n ARG 46 Cb 0.10 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.97 3i1n n ARG 46 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i1n n VAL 47 N -1.49 1.18 0.11 1.55 0.31 -0.89 -4.67 118.33 114.42 3i1n n VAL 47 Ca 0.03 -0.27 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 3i1n n VAL 47 Cb 0.13 -1.81 -0.08 0.00 -0.91 0.00 0.00 33.84 31.18 3i1n n VAL 47 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3i1n h VAL 48 N -0.76 0.78 -0.96 2.52 2.07 -1.31 -3.25 116.25 115.34 3i1n h VAL 48 Ca -0.52 -0.84 0.31 0.00 0.82 0.00 0.00 66.70 66.47 3i1n h VAL 48 Cb 1.44 1.21 -0.16 0.00 -1.52 0.00 0.00 31.29 32.26 3i1n h VAL 48 CO -0.31 0.16 0.36 -0.33 0.02 0.00 0.00 177.57 177.47 3i1n h GLU 49 N -0.79 0.15 -0.29 1.57 5.08 -1.64 0.14 114.58 118.80 3i1n h GLU 49 Ca -0.03 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3i1n h GLU 49 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3i1n h GLU 49 CO 0.05 0.10 -0.18 -1.35 -1.00 0.00 0.00 179.01 176.63 3i1n h PRO 50 N 0.16 0.64 -0.82 2.33 0.11 -1.78 -0.35 132.00 132.28 3i1n h PRO 50 Ca 0.68 -0.30 0.20 0.00 0.11 0.00 0.00 66.00 66.70 3i1n h PRO 50 Cb 1.56 -0.01 -0.13 0.00 0.11 0.00 0.00 31.00 32.53 3i1n h PRO 50 CO -0.72 0.89 0.18 -0.07 -0.21 0.00 0.00 178.00 178.07 3i1n h LEU 51 N 0.39 -0.05 0.82 2.35 4.07 -0.79 0.55 115.31 122.65 3i1n h LEU 51 Ca 0.06 0.18 -0.04 0.00 0.08 0.00 0.00 57.88 58.16 3i1n h LEU 51 Cb 0.72 0.26 0.01 0.00 1.08 0.00 0.00 40.66 42.73 3i1n h LEU 51 CO 0.05 -0.12 -0.39 0.40 -1.08 0.00 0.00 178.44 177.29 3i1n h ILE 52 N 0.21 0.16 -1.22 1.22 2.04 -0.96 -1.19 117.51 117.78 3i1n h ILE 52 Ca 0.49 -0.06 0.35 0.00 1.00 0.00 0.00 64.86 66.65 3i1n h ILE 52 Cb 0.93 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 3i1n h ILE 52 CO -0.62 0.00 0.82 0.74 0.00 0.00 0.00 178.15 179.10 3i1n h THR 53 N -1.15 0.35 -0.02 -0.27 2.02 0.23 0.88 112.91 114.95 3i1n h THR 53 Ca -0.11 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3i1n h THR 53 Cb 0.85 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3i1n h THR 53 CO 0.19 0.03 -0.03 0.25 0.37 0.00 0.00 175.52 176.33 3i1n h LEU 54 N 0.17 0.06 0.00 2.58 5.85 0.91 -2.80 115.31 122.09 3i1n h LEU 54 Ca 0.67 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i1n h LEU 54 Cb 2.16 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 43.17 3i1n h LEU 54 CO -0.23 0.60 0.00 0.00 -0.34 0.00 0.00 178.44 178.47 3i1n n ALA 55 N -2.39 1.74 0.27 1.25 0.00 0.25 -1.79 120.51 119.85 3i1n n ALA 55 Ca -0.08 -0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.44 3i1n n ALA 55 Cb 0.30 -1.17 0.75 0.00 0.00 0.00 0.00 19.45 19.33 3i1n n ALA 55 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1n h LYS 56 N 0.00 0.00 -5.05 0.00 1.79 -1.12 -3.38 116.57 108.80 3i1n h LYS 56 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 3i1n h LYS 56 Cb 0.06 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.37 3i1n h LYS 56 CO 0.00 0.10 -0.84 0.99 -1.08 0.00 0.00 179.45 178.62 3i1n s THR 57 N -4.06 2.20 -0.25 -0.16 2.01 -0.74 -4.92 115.64 109.72 3i1n s THR 57 Ca -0.02 -0.91 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 3i1n s THR 57 Cb 0.12 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 3i1n s THR 57 CO 0.57 0.51 0.71 -0.62 -0.69 0.00 0.00 174.62 175.10 3i1n s ASP 58 N 1.30 6.67 0.17 3.53 3.68 -1.26 -4.86 116.67 125.91 3i1n s ASP 58 Ca 0.05 0.82 -0.17 0.00 2.13 0.00 0.00 52.55 55.37 3i1n s ASP 58 Cb -0.13 -2.38 0.03 0.00 -1.45 0.00 0.00 42.92 38.99 3i1n s ASP 58 CO -0.12 -0.44 0.48 -0.94 0.13 0.00 0.00 175.17 174.29 3i1n s SER 59 N 1.44 -0.25 0.05 -0.34 1.04 -1.26 -5.03 113.70 109.34 3i1n s SER 59 Ca 0.30 -0.44 -0.34 0.00 0.48 0.00 0.00 55.95 55.95 3i1n s SER 59 Cb -0.15 0.55 -0.19 0.00 0.10 0.00 0.00 66.02 66.33 3i1n s SER 59 CO 0.08 -0.99 1.46 0.58 0.98 0.00 0.00 173.24 175.36 3i1n h VAL 60 N 2.25 0.00 -0.45 5.02 2.07 -1.99 -1.18 116.25 121.97 3i1n h VAL 60 Ca -0.30 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3i1n h VAL 60 Cb 1.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3i1n h VAL 60 CO 0.40 0.00 -0.27 0.00 0.02 0.00 0.00 177.57 177.73 3i1n n ALA 61 N -2.63 -0.29 -0.04 1.67 0.00 -1.26 -0.25 120.51 117.70 3i1n n ALA 61 Ca -0.15 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.79 3i1n n ALA 61 Cb 0.48 0.09 0.52 0.00 0.00 0.00 0.00 19.45 20.54 3i1n n ALA 61 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3i1n h ASN 62 N 0.00 0.32 0.65 0.00 -0.26 -1.87 0.56 115.58 114.99 3i1n h ASN 62 Ca 0.07 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 3i1n h ASN 62 Cb 0.18 -0.06 0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3i1n h ASN 62 CO -0.42 0.20 -0.31 0.03 -1.06 0.00 0.00 177.43 175.86 3i1n h ARG 63 N 0.36 -0.84 -0.85 0.81 3.08 0.58 -1.44 114.38 116.08 3i1n h ARG 63 Ca 0.24 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.43 3i1n h ARG 63 Cb 0.49 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 3i1n h ARG 63 CO -0.06 -0.56 -0.50 0.54 -1.07 0.00 0.00 179.97 178.31 3i1n n ARG 64 N -5.17 -0.38 -0.14 0.04 5.12 0.65 -0.30 116.66 116.49 3i1n n ARG 64 Ca -0.11 1.30 -0.03 0.00 -1.93 0.00 0.00 57.85 57.08 3i1n n ARG 64 Cb 0.35 -1.91 0.04 0.00 -1.16 0.00 0.00 32.46 29.78 3i1n n ARG 64 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3i1n h LEU 65 N 0.00 -0.18 -1.74 0.55 5.85 0.08 0.66 115.31 120.54 3i1n h LEU 65 Ca 0.14 0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.10 3i1n h LEU 65 Cb 0.35 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3i1n h LEU 65 CO -0.80 -0.05 0.43 0.00 -0.34 0.00 0.00 178.44 177.68 3i1n h ALA 66 N 1.39 2.21 0.01 1.25 0.00 0.47 -1.44 119.26 123.16 3i1n h ALA 66 Ca 0.22 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 3i1n h ALA 66 Cb 0.32 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3i1n h ALA 66 CO -0.37 -0.38 -0.89 0.35 0.00 0.00 0.00 179.25 177.96 3i1n h PHE 67 N 0.27 0.23 -0.51 0.00 3.57 0.34 -3.10 116.94 117.73 3i1n h PHE 67 Ca 0.30 -0.13 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 3i1n h PHE 67 Cb 0.82 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3i1n h PHE 67 CO -0.00 0.96 0.07 0.00 -2.23 0.00 0.00 178.31 177.11 3i1n h ALA 68 N 0.99 1.17 -2.21 2.41 0.00 -0.07 -0.57 119.26 120.98 3i1n h ALA 68 Ca -0.04 -0.23 -0.46 0.00 0.00 0.00 0.00 54.91 54.18 3i1n h ALA 68 Cb 1.54 -0.21 0.06 0.00 0.00 0.00 0.00 17.79 19.18 3i1n h ALA 68 CO 0.13 0.55 0.15 1.03 0.00 0.00 0.00 179.25 181.11 3i1n s ARG 69 N -5.11 2.56 0.00 0.00 1.81 -1.12 -4.21 118.95 112.87 3i1n s ARG 69 Ca -0.10 -0.26 0.00 0.00 -1.72 0.00 0.00 55.73 53.66 3i1n s ARG 69 Cb 0.15 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 3i1n s ARG 69 CO 0.80 -0.91 0.00 0.25 -0.68 0.00 0.00 175.30 174.76 3i1n n THR 70 N -2.66 0.00 -2.59 0.02 -2.24 -1.25 -4.55 114.28 101.00 3i1n n THR 70 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3i1n n THR 70 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 3i1n n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i1n n ARG 71 N -1.34 -0.79 -3.28 -0.78 3.00 -0.22 -4.78 116.66 108.47 3i1n n ARG 71 Ca 0.00 -0.31 0.03 0.00 -0.00 0.00 0.00 57.85 57.57 3i1n n ARG 71 Cb 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 32.46 32.99 3i1n n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3i1n s ASP 72 N -3.42 -0.49 0.47 6.15 3.68 -1.26 -5.08 116.67 116.72 3i1n s ASP 72 Ca 0.00 0.53 0.27 0.00 2.13 0.00 0.00 52.55 55.48 3i1n s ASP 72 Cb 0.00 1.50 0.94 0.00 -1.45 0.00 0.00 42.92 43.91 3i1n s ASP 72 CO 0.00 -0.09 1.83 0.78 0.13 0.00 0.00 175.17 177.81 3i1n h ASN 73 N 7.61 0.00 -0.18 -0.34 -0.26 -1.95 -2.64 115.58 117.82 3i1n h ASN 73 Ca -0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 3i1n h ASN 73 Cb 1.14 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.39 3i1n h ASN 73 CO 0.03 0.12 0.07 -0.08 -1.06 0.00 0.00 177.43 176.51 3i1n h GLU 74 N 0.00 0.26 0.02 0.81 4.81 -1.98 -2.05 114.58 116.46 3i1n h GLU 74 Ca -0.00 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 58.97 3i1n h GLU 74 Cb 0.74 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 3i1n h GLU 74 CO 0.02 0.33 -0.96 -0.84 -0.73 0.00 0.00 179.01 176.83 3i1n h ILE 75 N 0.14 1.56 0.00 2.32 3.07 -1.92 -2.58 117.51 120.10 3i1n h ILE 75 Ca 0.06 -2.91 -0.05 0.00 1.55 0.00 0.00 64.86 63.52 3i1n h ILE 75 Cb 0.16 2.64 -0.01 0.00 -0.27 0.00 0.00 36.82 39.35 3i1n h ILE 75 CO -0.01 0.84 -0.22 1.62 -1.05 0.00 0.00 178.15 179.34 3i1n h VAL 76 N 0.06 0.97 -0.42 0.16 3.04 -1.46 -0.32 116.25 118.28 3i1n h VAL 76 Ca -0.05 -0.79 -0.13 0.00 -1.01 0.00 0.00 66.70 64.73 3i1n h VAL 76 Cb 1.64 1.45 -0.01 0.00 -2.01 0.00 0.00 31.29 32.36 3i1n h VAL 76 CO 0.14 0.21 -0.24 0.00 -1.01 0.00 0.00 177.57 176.67 3i1n h ALA 77 N 1.78 0.60 0.22 3.17 0.00 -1.12 -3.34 119.26 120.57 3i1n h ALA 77 Ca -0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i1n h ALA 77 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i1n h ALA 77 CO 0.03 0.59 -0.11 -0.22 0.00 0.00 0.00 179.25 179.55 3i1n h LYS 78 N 0.73 -0.28 -6.51 0.00 3.64 -0.73 -2.12 116.57 111.30 3i1n h LYS 78 Ca 0.09 0.02 -0.60 0.00 -1.27 0.00 0.00 60.65 58.89 3i1n h LYS 78 Cb 0.81 0.06 0.12 0.00 -0.41 0.00 0.00 32.23 32.82 3i1n h LYS 78 CO 0.07 0.09 0.06 1.28 -2.27 0.00 0.00 179.45 178.68 3i1n n LEU 79 N -5.03 1.83 0.00 5.20 4.77 -0.38 0.00 117.00 123.40 3i1n n LEU 79 Ca -0.09 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.98 3i1n n LEU 79 Cb 0.26 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 3i1n n LEU 79 CO 0.29 -1.65 0.00 0.49 -1.33 0.00 0.00 177.39 175.19 3i1n n PHE 80 N -0.21 0.00 0.04 -1.77 3.72 -1.26 -4.49 117.46 113.49 3i1n n PHE 80 Ca 0.10 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.30 3i1n n PHE 80 Cb 0.36 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.78 3i1n n PHE 80 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3i1n h ASN 81 N 0.00 0.66 0.00 4.37 2.35 -1.32 -3.41 115.58 118.23 3i1n h ASN 81 Ca 0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 3i1n h ASN 81 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 3i1n h ASN 81 CO 0.00 1.39 0.00 1.21 -1.65 0.00 0.00 177.43 178.38 3i1n n GLU 82 N -4.06 0.00 -0.34 0.81 2.13 0.10 -4.75 120.64 114.53 3i1n n GLU 82 Ca -0.12 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.71 3i1n n GLU 82 Cb 0.80 -0.05 0.14 0.00 0.27 0.00 0.00 31.44 32.59 3i1n n GLU 82 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3i1n h LEU 83 N 0.00 0.97 0.00 4.31 4.07 -1.37 -1.90 115.31 121.39 3i1n h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3i1n h LEU 83 Cb 0.00 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.53 3i1n h LEU 83 CO 0.00 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 3i1n n GLY 84 N -1.35 -2.94 0.29 0.83 0.00 -1.26 -1.92 105.19 98.83 3i1n n GLY 84 Ca 0.13 0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.55 3i1n n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i1n h PRO 85 N 0.00 0.31 -0.79 1.61 0.13 -1.78 -0.66 132.00 130.82 3i1n h PRO 85 Ca 0.00 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.26 3i1n h PRO 85 Cb 0.00 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 30.91 3i1n h PRO 85 CO 0.00 0.21 -0.26 -0.09 -0.23 0.00 0.00 178.00 177.63 3i1n h ARG 86 N 0.32 -0.04 -0.62 0.86 2.43 -1.14 0.21 114.38 116.41 3i1n h ARG 86 Ca 0.46 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3i1n h ARG 86 Cb 0.82 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3i1n h ARG 86 CO -0.52 -0.02 0.00 1.19 -1.51 0.00 0.00 179.97 179.11 3i1n n PHE 87 N -5.50 1.14 0.21 2.20 3.72 -0.39 -4.64 117.46 114.19 3i1n n PHE 87 Ca 0.10 -0.47 0.11 0.00 -0.05 0.00 0.00 57.45 57.14 3i1n n PHE 87 Cb 0.40 -0.17 0.57 0.00 -0.94 0.00 0.00 39.48 39.33 3i1n n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i1n h ALA 88 N 3.88 1.16 -1.54 4.37 0.00 0.78 -2.65 119.26 125.27 3i1n h ALA 88 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3i1n h ALA 88 Cb 1.14 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.53 3i1n h ALA 88 CO 0.16 -0.16 -0.99 -1.13 0.00 0.00 0.00 179.25 177.13 3i1n n SER 89 N -2.34 2.66 -3.75 0.00 3.41 -1.26 -5.04 113.62 107.30 3i1n n SER 89 Ca -0.01 -3.19 -0.18 0.00 -0.26 0.00 0.00 58.87 55.22 3i1n n SER 89 Cb 0.25 -0.53 -0.17 0.00 -0.26 0.00 0.00 64.21 63.49 3i1n n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3i1n s ARG 90 N -3.15 0.13 0.07 4.33 3.52 -1.00 -5.05 118.95 117.80 3i1n s ARG 90 Ca 0.39 0.22 -0.13 0.00 -0.13 0.00 0.00 55.73 56.07 3i1n s ARG 90 Cb 0.39 -0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 33.25 3i1n s ARG 90 CO -0.07 -0.24 1.13 0.00 -0.81 0.00 0.00 175.30 175.31 3i1n n ALA 91 N 4.71 -0.27 -2.48 6.12 0.00 -1.26 -4.89 120.51 122.44 3i1n n ALA 91 Ca -0.16 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3i1n n ALA 91 Cb 0.50 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3i1n n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1n n GLY 92 N -1.11 1.90 3.76 0.00 0.00 -1.26 -5.04 105.19 103.44 3i1n n GLY 92 Ca 0.01 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3i1n n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1n n GLY 93 N 0.00 -0.36 0.12 -0.02 0.00 -1.26 -4.80 105.19 98.87 3i1n n GLY 93 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3i1n n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i1n n TYR 94 N -4.43 0.00 -3.78 1.61 4.01 -1.26 -4.69 117.16 108.62 3i1n n TYR 94 Ca -0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.43 3i1n n TYR 94 Cb 0.63 -0.01 -0.12 0.00 -0.31 0.00 0.00 39.34 39.53 3i1n n TYR 94 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i1n s THR 95 N -1.76 -0.00 0.02 -0.72 2.01 -1.26 -3.02 115.64 110.91 3i1n s THR 95 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 3i1n s THR 95 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 3i1n s THR 95 CO 0.00 0.00 -0.13 0.00 -0.69 0.00 0.00 174.62 173.80 3i1n s ARG 96 N 0.19 0.91 -0.12 4.92 1.70 -0.05 -4.94 118.95 121.56 3i1n s ARG 96 Ca -0.00 -0.65 -0.05 0.00 -0.47 0.00 0.00 55.73 54.55 3i1n s ARG 96 Cb -0.02 -0.90 -0.04 0.00 -0.57 0.00 0.00 34.95 33.42 3i1n s ARG 96 CO -0.00 0.23 0.07 0.42 -1.08 0.00 0.00 175.30 174.94 3i1n s ILE 97 N -0.70 4.92 -0.29 4.99 1.01 -1.26 -1.24 121.20 128.63 3i1n s ILE 97 Ca 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.68 3i1n s ILE 97 Cb -0.07 -3.12 0.08 0.00 0.01 0.00 0.00 42.46 39.36 3i1n s ILE 97 CO 0.01 0.59 0.00 -0.76 0.00 0.00 0.00 174.94 174.78 3i1n s LEU 98 N -0.76 3.42 0.28 2.97 1.43 0.13 -4.99 118.68 121.16 3i1n s LEU 98 Ca 0.13 -1.64 -0.30 0.00 -1.03 0.00 0.00 54.13 51.29 3i1n s LEU 98 Cb -0.12 -1.33 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 3i1n s LEU 98 CO 0.03 -0.31 1.44 -0.54 0.23 0.00 0.00 176.35 177.19 3i1n s LYS 99 N 1.22 4.25 0.00 1.70 1.02 -1.26 -0.93 119.74 125.74 3i1n s LYS 99 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.36 3i1n s LYS 99 Cb -0.19 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3i1n s LYS 99 CO -0.10 -0.41 0.35 0.00 -0.92 0.00 0.00 175.35 174.27 3i1n n GLY 101 N -0.01 -3.34 1.59 0.00 0.00 -1.13 -4.86 105.19 97.44 3i1n n GLY 101 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 3i1n n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1n n PHE 102 N 1.84 -0.52 -3.04 1.61 3.72 -1.22 -4.68 117.46 115.17 3i1n n PHE 102 Ca 0.00 0.30 -0.40 0.00 -0.05 0.00 0.00 57.45 57.30 3i1n n PHE 102 Cb 0.00 -1.81 -0.05 0.00 -0.94 0.00 0.00 39.48 36.68 3i1n n PHE 102 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3i1n s ARG 103 N -1.03 4.39 0.15 -1.08 3.52 -0.83 -4.88 118.95 119.19 3i1n s ARG 103 Ca -0.03 0.85 -0.12 0.00 -0.13 0.00 0.00 55.73 56.30 3i1n s ARG 103 Cb 0.00 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3i1n s ARG 103 CO 0.08 -0.03 1.64 0.00 -0.81 0.00 0.00 175.30 176.18 3i1n h ALA 104 N 6.93 0.69 -0.09 6.12 0.00 -1.95 1.09 119.26 132.05 3i1n h ALA 104 Ca -0.38 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.31 3i1n h ALA 104 Cb 1.18 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i1n h ALA 104 CO 0.77 0.44 0.08 0.78 0.00 0.00 0.00 179.25 181.32 3i1n h GLY 105 N 0.75 0.00 -0.04 0.00 0.00 -2.00 -3.32 103.07 98.45 3i1n h GLY 105 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3i1n h GLY 105 CO 0.01 0.00 -0.01 2.09 0.00 0.00 0.00 176.54 178.63 3i1n n ASP 106 N -4.15 0.00 -3.32 0.19 5.68 -1.11 -5.03 116.55 108.81 3i1n n ASP 106 Ca -0.01 -1.02 -0.24 0.00 -0.50 0.00 0.00 54.79 53.02 3i1n n ASP 106 Cb 0.19 -0.00 0.03 0.00 -1.14 0.00 0.00 41.12 40.19 3i1n n ASP 106 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3i1n n ASN 107 N 0.00 -5.28 -4.67 -1.12 4.05 0.38 -4.94 115.26 103.67 3i1n n ASN 107 Ca 0.00 -0.42 -0.39 0.00 0.45 0.00 0.00 54.58 54.22 3i1n n ASN 107 Cb 0.50 -4.26 -0.06 0.00 1.23 0.00 0.00 39.78 37.19 3i1n n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i1n s ALA 108 N -3.14 3.52 -0.00 5.20 0.00 -1.22 -4.68 121.76 121.43 3i1n s ALA 108 Ca 0.42 -0.32 -0.37 0.00 0.00 0.00 0.00 51.96 51.69 3i1n s ALA 108 Cb -0.20 -2.81 -0.16 0.00 0.00 0.00 0.00 23.12 19.95 3i1n s ALA 108 CO 0.52 -0.36 1.49 -0.35 0.00 0.00 0.00 175.76 177.05 3i1n n PRO 109 N 4.58 1.30 -4.60 0.00 -0.04 -1.26 -1.97 135.00 133.01 3i1n n PRO 109 Ca -0.05 0.47 -0.28 0.00 -0.04 0.00 0.00 63.50 63.61 3i1n n PRO 109 Cb 0.51 -2.15 -0.11 0.00 -0.04 0.00 0.00 33.50 31.71 3i1n n PRO 109 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3i1n s MET 110 N 1.45 1.98 -0.20 0.54 -1.94 -1.26 -1.76 119.30 118.11 3i1n s MET 110 Ca 0.88 -2.10 -0.28 0.00 -1.71 0.00 0.00 55.69 52.47 3i1n s MET 110 Cb -0.94 -1.66 0.12 0.00 2.01 0.00 0.00 34.83 34.36 3i1n s MET 110 CO 0.51 -0.06 1.00 0.00 -0.01 0.00 0.00 175.02 176.46 3i1n s ALA 111 N -2.71 -1.94 0.20 3.03 0.00 0.22 -2.44 121.76 118.12 3i1n s ALA 111 Ca 0.35 1.68 -0.17 0.00 0.00 0.00 0.00 51.96 53.82 3i1n s ALA 111 Cb 0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 23.12 22.19 3i1n s ALA 111 CO 0.18 -0.28 0.65 0.71 0.00 0.00 0.00 175.76 177.02 3i1n s TYR 112 N -0.63 3.61 -0.03 0.00 2.02 -0.10 -1.01 117.35 121.20 3i1n s TYR 112 Ca -0.00 1.24 0.02 0.00 -0.37 0.00 0.00 57.07 57.95 3i1n s TYR 112 Cb -0.02 -2.51 0.01 0.00 -0.40 0.00 0.00 41.96 39.04 3i1n s TYR 112 CO -0.01 0.36 -0.07 -1.50 -1.57 0.00 0.00 175.55 172.76 3i1n s ILE 113 N -1.53 0.68 0.04 2.71 2.07 -0.44 0.19 121.20 124.91 3i1n s ILE 113 Ca 0.42 -0.27 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3i1n s ILE 113 Cb -0.15 -0.63 -0.02 0.00 0.13 0.00 0.00 42.46 41.78 3i1n s ILE 113 CO 0.20 0.23 0.02 -1.83 -1.91 0.00 0.00 174.94 171.65 3i1n s GLU 114 N 0.40 0.53 0.50 3.50 -1.05 -0.37 -1.88 118.70 120.34 3i1n s GLU 114 Ca -0.06 -0.89 -0.20 0.00 -0.15 0.00 0.00 54.97 53.67 3i1n s GLU 114 Cb -0.10 0.20 -0.07 0.00 -0.44 0.00 0.00 34.13 33.71 3i1n s GLU 114 CO 0.01 -0.11 1.09 -0.51 0.95 0.00 0.00 175.26 176.68 3i1n s LEU 115 N -2.27 3.84 -1.23 1.83 1.43 0.01 -0.87 118.68 121.42 3i1n s LEU 115 Ca -0.03 2.07 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 3i1n s LEU 115 Cb 0.00 -4.52 0.18 0.00 0.03 0.00 0.00 46.19 41.89 3i1n s LEU 115 CO -0.06 -0.95 1.65 0.55 0.23 0.00 0.00 176.35 177.78 3i1n n VAL 116 N -0.99 4.40 0.00 -1.59 3.14 -1.17 -4.06 118.33 118.06 3i1n n VAL 116 Ca 0.10 -4.68 0.00 0.00 -2.96 0.00 0.00 64.34 56.80 3i1n n VAL 116 Cb 0.51 -2.39 0.00 0.00 -1.06 0.00 0.00 33.84 30.91 3i1n n VAL 116 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 3i1n n ASP 117 N 4.27 0.00 0.00 6.55 3.85 -1.26 -5.06 116.55 124.90 3i1n n ASP 117 Ca 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.45 3i1n n ASP 117 Cb 0.38 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 3i1n n ASP 117 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3i1n n ARG 118 N 0.00 0.00 0.00 0.11 1.74 -1.26 -4.84 116.66 112.41 3i1n n ARG 118 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1n n ARG 118 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i1n n ARG 118 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1n n SER 119 N 0.00 0.00 0.00 0.55 2.88 -1.26 -5.11 113.62 110.68 3i1n n SER 119 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3i1n n SER 119 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3i1n n SER 119 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19