#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1n h GLU 2 N 0.00 0.00 -3.59 0.03 5.08 -1.99 -3.39 114.58 110.73 3i1n h GLU 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i1n h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i1n h GLU 2 CO 0.00 0.05 -0.43 -2.37 -1.00 0.00 0.00 179.01 175.25 3i1n n THR 3 N -4.75 -3.63 -4.20 1.13 5.66 -1.26 -3.31 114.28 103.92 3i1n n THR 3 Ca -0.01 1.31 -0.14 0.00 -3.05 0.00 0.00 64.05 62.15 3i1n n THR 3 Cb 0.05 -1.90 -0.09 0.00 -1.55 0.00 0.00 70.33 66.84 3i1n n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3i1n s ILE 4 N -1.10 0.00 -0.24 1.09 -4.36 -1.26 -1.41 121.20 113.92 3i1n s ILE 4 Ca 0.00 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.29 3i1n s ILE 4 Cb 0.00 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.29 3i1n s ILE 4 CO 0.00 0.00 0.61 0.00 0.24 0.00 0.00 174.94 175.79 3i1n s ALA 5 N -3.82 -1.57 0.03 2.27 0.00 -0.62 -4.86 121.76 113.20 3i1n s ALA 5 Ca 0.38 1.93 -0.04 0.00 0.00 0.00 0.00 51.96 54.23 3i1n s ALA 5 Cb 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 3i1n s ALA 5 CO 0.18 -0.32 0.05 -1.59 0.00 0.00 0.00 175.76 174.08 3i1n s LYS 6 N 0.89 0.50 -0.35 0.00 -2.85 -1.26 -1.32 119.74 115.36 3i1n s LYS 6 Ca -0.05 -0.74 -0.02 0.00 -1.00 0.00 0.00 55.97 54.17 3i1n s LYS 6 Cb -0.05 0.19 0.08 0.00 -2.06 0.00 0.00 37.83 35.99 3i1n s LYS 6 CO -0.08 -0.11 0.09 -1.58 0.10 0.00 0.00 175.35 173.77 3i1n s HIS 7 N -2.34 3.46 -0.05 1.78 5.65 0.13 -4.98 115.29 118.94 3i1n s HIS 7 Ca -0.07 -2.23 -0.11 0.00 0.25 0.00 0.00 55.06 52.90 3i1n s HIS 7 Cb -0.03 -2.67 -0.05 0.00 -1.18 0.00 0.00 32.58 28.65 3i1n s HIS 7 CO -0.04 -0.89 0.29 1.03 -0.65 0.00 0.00 174.74 174.49 3i1n s ARG 8 N 1.17 3.71 -0.83 2.88 0.52 -1.26 -1.44 118.95 123.69 3i1n s ARG 8 Ca 0.02 0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 55.35 3i1n s ARG 8 Cb -0.21 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.07 3i1n s ARG 8 CO -0.03 0.72 0.73 0.72 0.02 0.00 0.00 175.30 177.46 3i1n n HIS 9 N 1.84 -1.77 -2.41 -0.53 8.25 -1.09 -4.98 115.22 114.53 3i1n n HIS 9 Ca -0.16 0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 3i1n n HIS 9 Cb 0.53 -3.48 -0.04 0.00 1.12 0.00 0.00 29.99 28.13 3i1n n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i1n s ALA 10 N -3.20 3.42 -0.36 -1.41 0.00 0.18 -4.76 121.76 115.65 3i1n s ALA 10 Ca 0.36 0.94 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 3i1n s ALA 10 Cb -0.16 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3i1n s ALA 10 CO 0.45 -0.28 2.83 0.54 0.00 0.00 0.00 175.76 179.29 3i1n n ARG 11 N 1.75 2.25 -1.63 0.00 1.74 -1.26 0.75 116.66 120.27 3i1n n ARG 11 Ca 0.01 -2.00 0.00 0.00 -0.77 0.00 0.00 57.85 55.09 3i1n n ARG 11 Cb 0.45 -2.05 0.00 0.00 -1.02 0.00 0.00 32.46 29.84 3i1n n ARG 11 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i1n n SER 12 N 1.10 1.28 -0.10 0.55 2.88 -1.26 -4.98 113.62 113.08 3i1n n SER 12 Ca 0.45 -0.99 -0.24 0.00 -1.33 0.00 0.00 58.87 56.76 3i1n n SER 12 Cb 0.62 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.96 3i1n n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3i1n n SER 13 N -1.71 1.96 0.00 -3.46 3.41 -1.26 -2.78 113.62 109.79 3i1n n SER 13 Ca 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3i1n n SER 13 Cb 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 3i1n n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1n n ALA 14 N -3.58 0.00 -0.33 7.33 0.00 -1.26 -4.29 120.51 118.38 3i1n n ALA 14 Ca -0.42 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.01 3i1n n ALA 14 Cb 0.87 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.38 3i1n n ALA 14 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i1n h GLN 15 N 0.00 -0.03 -0.26 0.00 4.15 -1.94 0.99 115.11 118.01 3i1n h GLN 15 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 3i1n h GLN 15 Cb 0.00 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 3i1n h GLN 15 CO 0.00 -0.02 0.16 0.87 -1.93 0.00 0.00 178.83 177.91 3i1n h LYS 16 N -0.03 0.35 0.08 1.69 1.57 -1.97 -3.16 116.57 115.10 3i1n h LYS 16 Ca 0.34 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3i1n h LYS 16 Cb 0.61 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3i1n h LYS 16 CO -0.92 0.27 -0.04 0.28 -0.57 0.00 0.00 179.45 178.48 3i1n h VAL 17 N 0.33 1.10 -0.80 0.50 2.07 -1.32 -3.34 116.25 114.79 3i1n h VAL 17 Ca 0.09 -0.67 -0.28 0.00 0.82 0.00 0.00 66.70 66.66 3i1n h VAL 17 Cb 0.01 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 3i1n h VAL 17 CO -0.02 0.16 0.72 -0.13 0.02 0.00 0.00 177.57 178.33 3i1n s ARG 18 N -4.93 2.46 0.00 1.57 0.52 0.32 -1.48 118.95 117.40 3i1n s ARG 18 Ca -0.15 -0.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3i1n s ARG 18 Cb 0.03 -4.97 0.00 0.00 0.52 0.00 0.00 34.95 30.53 3i1n s ARG 18 CO 0.64 -3.43 0.00 -0.11 0.02 0.00 0.00 175.30 172.42 3i1n n LEU 19 N 14.38 0.00 -0.05 2.53 7.94 -1.25 -4.76 117.00 135.79 3i1n n LEU 19 Ca 0.39 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.16 3i1n n LEU 19 Cb 0.47 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.35 3i1n n LEU 19 CO 0.60 0.00 0.62 0.58 -1.11 0.00 0.00 177.39 178.09 3i1n h VAL 20 N 0.00 1.34 -0.87 1.96 2.07 -1.47 -3.26 116.25 116.02 3i1n h VAL 20 Ca 0.00 -1.23 0.13 0.00 0.82 0.00 0.00 66.70 66.42 3i1n h VAL 20 Cb 0.00 1.87 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3i1n h VAL 20 CO 0.00 0.36 0.49 0.00 0.02 0.00 0.00 177.57 178.43 3i1n h ALA 21 N 0.62 1.30 0.00 1.67 0.00 -1.57 0.36 119.26 121.64 3i1n h ALA 21 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i1n h ALA 21 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3i1n h ALA 21 CO 0.03 0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 3i1n n ASP 22 N -4.79 0.00 0.16 0.00 8.00 -1.23 -1.49 116.55 117.21 3i1n n ASP 22 Ca 0.17 0.42 0.12 0.00 0.71 0.00 0.00 54.79 56.20 3i1n n ASP 22 Cb 0.38 -0.46 0.13 0.00 -0.02 0.00 0.00 41.12 41.16 3i1n n ASP 22 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3i1n h LEU 23 N 0.00 0.00 0.00 0.64 3.38 -1.01 -3.37 115.31 114.95 3i1n h LEU 23 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3i1n h LEU 23 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i1n h LEU 23 CO 0.00 0.01 -1.82 -0.38 0.09 0.00 0.00 178.44 176.33 3i1n n ILE 24 N -2.84 0.48 -1.64 1.22 2.08 -0.55 -4.87 119.36 113.24 3i1n n ILE 24 Ca 0.03 -0.47 -0.45 0.00 0.56 0.00 0.00 62.75 62.41 3i1n n ILE 24 Cb 0.52 -0.24 -0.04 0.00 -0.75 0.00 0.00 39.64 39.13 3i1n n ILE 24 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3i1n n ARG 25 N -2.27 2.31 -0.38 0.38 0.63 -1.10 -1.08 116.66 115.15 3i1n n ARG 25 Ca -0.13 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 3i1n n ARG 25 Cb 0.68 -2.87 0.00 0.00 0.45 0.00 0.00 32.46 30.71 3i1n n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i1n n GLY 26 N 4.87 1.47 3.87 5.14 0.00 0.13 -5.04 105.19 115.63 3i1n n GLY 26 Ca 0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 3i1n n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1n s LYS 27 N -0.28 3.36 0.05 1.61 -0.14 -0.24 -4.72 119.74 119.37 3i1n s LYS 27 Ca 0.00 0.72 -0.31 0.00 -1.36 0.00 0.00 55.97 55.02 3i1n s LYS 27 Cb 0.00 -2.06 -0.07 0.00 -1.68 0.00 0.00 37.83 34.02 3i1n s LYS 27 CO 0.00 -0.73 1.56 0.15 -0.76 0.00 0.00 175.35 175.56 3i1n s LYS 28 N -5.20 4.23 0.30 1.68 1.02 -1.26 -0.76 119.74 119.75 3i1n s LYS 28 Ca 0.56 2.20 0.09 0.00 0.02 0.00 0.00 55.97 58.84 3i1n s LYS 28 Cb -0.11 -3.58 0.91 0.00 -0.52 0.00 0.00 37.83 34.53 3i1n s LYS 28 CO 0.54 -0.67 1.38 0.28 -0.92 0.00 0.00 175.35 175.96 3i1n n VAL 29 N 4.68 -0.37 -0.03 3.17 0.31 0.28 1.00 118.33 127.38 3i1n n VAL 29 Ca 0.15 1.87 -0.09 0.00 -0.01 0.00 0.00 64.34 66.26 3i1n n VAL 29 Cb 0.42 -2.86 -0.02 0.00 -0.91 0.00 0.00 33.84 30.46 3i1n n VAL 29 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3i1n h SER 30 N 0.00 -0.61 0.71 4.52 0.87 -1.87 -2.32 113.55 114.84 3i1n h SER 30 Ca 0.63 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 61.17 3i1n h SER 30 Cb 1.51 0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 3i1n h SER 30 CO -0.76 -0.24 -0.65 -0.61 -0.53 0.00 0.00 176.83 174.04 3i1n h GLN 31 N -0.21 0.00 -0.05 2.24 4.15 0.28 -3.06 115.11 118.45 3i1n h GLN 31 Ca 0.12 0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.56 3i1n h GLN 31 Cb 0.39 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 3i1n h GLN 31 CO -0.32 0.65 -0.51 0.00 -1.93 0.00 0.00 178.83 176.73 3i1n h ALA 32 N 1.35 -0.90 -0.87 3.38 0.00 -0.71 -0.87 119.26 120.62 3i1n h ALA 32 Ca -0.01 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.04 3i1n h ALA 32 Cb 1.18 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 19.77 3i1n h ALA 32 CO 0.09 -1.07 -0.05 -0.07 0.00 0.00 0.00 179.25 178.15 3i1n h LEU 33 N -0.60 -0.53 0.88 0.00 -0.00 -1.34 -0.06 115.31 113.67 3i1n h LEU 33 Ca 0.02 0.24 -0.04 0.00 -0.00 0.00 0.00 57.88 58.10 3i1n h LEU 33 Cb 0.66 0.45 0.01 0.00 -0.00 0.00 0.00 40.66 41.78 3i1n h LEU 33 CO -0.37 -0.27 -0.45 0.44 -0.00 0.00 0.00 178.44 177.80 3i1n h ASP 34 N 0.04 -1.08 -0.34 -0.43 3.45 -1.24 -0.99 116.42 115.83 3i1n h ASP 34 Ca 0.48 0.04 0.07 0.00 0.43 0.00 0.00 57.03 58.05 3i1n h ASP 34 Cb 0.87 0.29 -0.09 0.00 -0.56 0.00 0.00 39.33 39.84 3i1n h ASP 34 CO -0.82 -0.74 -0.39 0.40 -1.57 0.00 0.00 179.24 176.11 3i1n h ILE 35 N -1.22 0.16 -1.07 0.35 2.04 -0.66 0.24 117.51 117.35 3i1n h ILE 35 Ca -0.12 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.03 3i1n h ILE 35 Cb 0.94 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 3i1n h ILE 35 CO 0.18 0.00 0.68 -0.07 0.00 0.00 0.00 178.15 178.95 3i1n h LEU 36 N -0.34 0.44 -0.65 1.44 4.07 -0.94 -1.11 115.31 118.23 3i1n h LEU 36 Ca 0.14 0.10 -0.15 0.00 0.08 0.00 0.00 57.88 58.05 3i1n h LEU 36 Cb 0.58 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 3i1n h LEU 36 CO -0.52 0.04 -0.57 0.74 -1.08 0.00 0.00 178.44 177.05 3i1n h THR 37 N 0.36 1.36 -0.28 0.22 2.02 0.87 -3.18 112.91 114.28 3i1n h THR 37 Ca 0.64 -1.88 -0.05 0.00 0.77 0.00 0.00 66.41 65.88 3i1n h THR 37 Cb 1.64 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.93 3i1n h THR 37 CO -0.35 0.56 -0.01 -1.22 0.37 0.00 0.00 175.52 174.88 3i1n n TYR 38 N -3.91 0.96 -3.43 3.16 4.02 -0.50 -4.85 117.16 112.61 3i1n n TYR 38 Ca -0.02 -1.07 -0.43 0.00 -0.01 0.00 0.00 57.90 56.36 3i1n n TYR 38 Cb 0.60 -0.36 -0.09 0.00 -0.02 0.00 0.00 39.34 39.47 3i1n n TYR 38 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i1n s THR 39 N -2.94 5.24 -1.34 -0.72 2.01 -0.73 -5.02 115.64 112.14 3i1n s THR 39 Ca 0.42 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 3i1n s THR 39 Cb 0.36 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.91 3i1n s THR 39 CO 0.06 -0.37 2.07 0.59 -0.69 0.00 0.00 174.62 176.28 3i1n n ASN 40 N 5.21 3.98 -3.80 3.53 5.03 -1.26 -4.73 115.26 123.22 3i1n n ASN 40 Ca -0.11 -2.84 -0.13 0.00 0.87 0.00 0.00 54.58 52.37 3i1n n ASN 40 Cb 0.46 -1.63 -0.14 0.00 -1.02 0.00 0.00 39.78 37.45 3i1n n ASN 40 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3i1n s LYS 41 N 3.75 0.06 0.32 3.52 -0.14 -1.26 -5.02 119.74 120.97 3i1n s LYS 41 Ca 0.51 0.19 0.10 0.00 -1.36 0.00 0.00 55.97 55.40 3i1n s LYS 41 Cb 0.11 -0.08 0.89 0.00 -1.68 0.00 0.00 37.83 37.08 3i1n s LYS 41 CO -0.02 -0.08 1.73 -0.22 -0.76 0.00 0.00 175.35 175.99 3i1n h LYS 42 N 6.61 0.56 -0.62 1.68 1.63 -1.99 0.31 116.57 124.75 3i1n h LYS 42 Ca -0.34 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.50 3i1n h LYS 42 Cb 1.17 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 3i1n h LYS 42 CO 0.46 0.37 0.41 0.00 -3.45 0.00 0.00 179.45 177.23 3i1n h ALA 43 N 1.74 1.84 -0.26 5.00 0.00 -1.95 -2.10 119.26 123.52 3i1n h ALA 43 Ca 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 3i1n h ALA 43 Cb 1.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3i1n h ALA 43 CO -0.48 0.05 0.11 0.00 0.00 0.00 0.00 179.25 178.93 3i1n h ALA 44 N 1.67 0.33 -0.96 0.00 0.00 -0.66 -0.21 119.26 119.44 3i1n h ALA 44 Ca 0.27 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3i1n h ALA 44 Cb 0.33 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3i1n h ALA 44 CO -0.08 -0.07 0.63 -0.24 0.00 0.00 0.00 179.25 179.49 3i1n h VAL 45 N 0.27 1.23 0.46 0.00 3.04 -1.30 0.44 116.25 120.39 3i1n h VAL 45 Ca 0.09 -0.44 -0.01 0.00 -1.01 0.00 0.00 66.70 65.32 3i1n h VAL 45 Cb 0.17 -0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.28 3i1n h VAL 45 CO -0.01 0.23 -0.34 -0.07 -1.01 0.00 0.00 177.57 176.38 3i1n h LEU 46 N 1.28 -0.87 -0.33 3.16 3.38 -0.84 -2.80 115.31 118.29 3i1n h LEU 46 Ca 0.36 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3i1n h LEU 46 Cb -0.11 0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i1n h LEU 46 CO -0.09 -0.51 0.00 1.62 0.09 0.00 0.00 178.44 179.56 3i1n h VAL 47 N -0.78 0.00 0.39 1.22 3.04 -0.83 -2.74 116.25 116.54 3i1n h VAL 47 Ca -0.05 -0.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.83 3i1n h VAL 47 Cb 0.66 1.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 3i1n h VAL 47 CO 0.01 0.00 -0.19 0.50 -1.01 0.00 0.00 177.57 176.89 3i1n h LYS 48 N 0.00 -0.50 -0.92 4.17 3.11 -0.85 -1.09 116.57 120.49 3i1n h LYS 48 Ca 0.00 0.03 0.35 0.00 -2.81 0.00 0.00 60.65 58.23 3i1n h LYS 48 Cb 0.83 0.11 -0.17 0.00 -1.00 0.00 0.00 32.23 32.01 3i1n h LYS 48 CO 0.00 -0.20 0.37 1.63 -2.81 0.00 0.00 179.45 178.45 3i1n n LYS 49 N -5.15 -0.06 0.02 1.90 5.02 -1.06 -0.64 118.16 118.19 3i1n n LYS 49 Ca -0.09 1.30 -0.12 0.00 -2.02 0.00 0.00 58.31 57.38 3i1n n LYS 49 Cb 0.28 -2.26 -0.09 0.00 -0.02 0.00 0.00 35.03 32.93 3i1n n LYS 49 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i1n h VAL 50 N 0.00 1.20 -0.63 -0.18 2.07 -1.21 -2.00 116.25 115.50 3i1n h VAL 50 Ca 0.72 -1.21 0.10 0.00 0.82 0.00 0.00 66.70 67.14 3i1n h VAL 50 Cb 1.83 1.96 -0.08 0.00 -1.52 0.00 0.00 31.29 33.48 3i1n h VAL 50 CO -0.75 0.29 0.23 0.25 0.02 0.00 0.00 177.57 177.61 3i1n h LEU 51 N -0.67 0.21 -0.60 2.57 5.85 -0.30 -0.69 115.31 121.68 3i1n h LEU 51 Ca -0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3i1n h LEU 51 Cb 0.55 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3i1n h LEU 51 CO 0.02 0.12 0.33 -0.33 -0.34 0.00 0.00 178.44 178.24 3i1n h GLU 52 N 0.40 0.61 -0.95 1.25 5.08 -0.86 -0.36 114.58 119.75 3i1n h GLU 52 Ca 0.33 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3i1n h GLU 52 Cb 0.43 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3i1n h GLU 52 CO -0.33 0.40 0.59 1.03 -1.00 0.00 0.00 179.01 179.70 3i1n h SER 53 N 0.63 1.12 0.65 1.42 0.87 -0.40 -1.45 113.55 116.38 3i1n h SER 53 Ca 0.26 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3i1n h SER 53 Cb 0.14 -0.28 0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3i1n h SER 53 CO -0.16 0.84 -0.31 0.00 -0.53 0.00 0.00 176.83 176.67 3i1n h ALA 54 N 1.32 -1.22 -0.98 6.23 0.00 0.11 0.30 119.26 125.02 3i1n h ALA 54 Ca 0.34 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.26 3i1n h ALA 54 Cb -0.09 0.34 -0.19 0.00 0.00 0.00 0.00 17.79 17.85 3i1n h ALA 54 CO -0.07 -1.16 -0.24 0.82 0.00 0.00 0.00 179.25 178.60 3i1n h ILE 55 N -0.88 0.02 0.03 0.00 2.04 -0.98 0.90 117.51 118.65 3i1n h ILE 55 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3i1n h ILE 55 Cb 0.67 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3i1n h ILE 55 CO 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 178.15 178.21 3i1n h ALA 56 N 1.98 -0.67 -0.87 1.87 0.00 -1.14 -1.41 119.26 119.02 3i1n h ALA 56 Ca 0.47 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.55 3i1n h ALA 56 Cb 0.71 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 3i1n h ALA 56 CO -1.01 -0.68 -0.15 0.09 0.00 0.00 0.00 179.25 177.50 3i1n n ASN 57 N -2.93 -0.25 0.06 0.00 5.03 0.11 -0.82 115.26 116.46 3i1n n ASN 57 Ca -0.02 1.50 -0.11 0.00 0.87 0.00 0.00 54.58 56.82 3i1n n ASN 57 Cb 0.07 -0.48 -0.05 0.00 -1.02 0.00 0.00 39.78 38.30 3i1n n ASN 57 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3i1n h ALA 58 N 1.74 -0.14 0.08 5.41 0.00 0.89 0.16 119.26 127.40 3i1n h ALA 58 Ca 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.36 3i1n h ALA 58 Cb 0.78 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3i1n h ALA 58 CO -0.87 -0.61 -0.04 1.49 0.00 0.00 0.00 179.25 179.21 3i1n h GLU 59 N -0.21 -0.10 -0.20 0.00 4.81 0.15 -1.21 114.58 117.81 3i1n h GLU 59 Ca 0.04 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3i1n h GLU 59 Cb 0.25 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3i1n h GLU 59 CO -0.11 0.22 -0.35 1.25 -0.73 0.00 0.00 179.01 179.28 3i1n h HIS 60 N -0.43 0.75 0.00 0.92 2.76 -1.17 -3.34 115.15 114.63 3i1n h HIS 60 Ca -0.01 -0.26 -0.21 0.00 -2.20 0.00 0.00 60.37 57.69 3i1n h HIS 60 Cb 0.37 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 3i1n h HIS 60 CO 0.03 1.00 -1.66 0.09 -1.30 0.00 0.00 177.93 176.09 3i1n n ASN 61 N -4.28 0.67 0.00 3.26 5.03 0.54 -5.00 115.26 115.47 3i1n n ASN 61 Ca -0.06 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.69 3i1n n ASN 61 Cb 0.51 0.38 0.00 0.00 -1.02 0.00 0.00 39.78 39.65 3i1n n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3i1n n ASP 62 N -2.85 0.03 -0.15 6.41 8.00 -0.48 -5.04 116.55 122.47 3i1n n ASP 62 Ca -0.14 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.28 3i1n n ASP 62 Cb 0.91 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.95 3i1n n ASP 62 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3i1n h GLY 63 N 0.00 -1.49 0.00 0.44 0.00 -1.84 -3.43 103.07 96.75 3i1n h GLY 63 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.17 3i1n h GLY 63 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 176.54 176.16 3i1n n ALA 64 N -3.02 0.00 -2.64 3.60 0.00 -1.05 -4.87 120.51 112.53 3i1n n ALA 64 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 3i1n n ALA 64 Cb 0.18 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.64 3i1n n ALA 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1n n ASP 65 N 0.51 -5.96 0.00 0.00 -0.08 -1.26 -4.84 116.55 104.92 3i1n n ASP 65 Ca 0.00 -0.15 0.01 0.00 -1.51 0.00 0.00 54.79 53.14 3i1n n ASP 65 Cb 0.00 -4.02 0.03 0.00 2.34 0.00 0.00 41.12 39.47 3i1n n ASP 65 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3i1n n ILE 66 N -1.80 0.00 -0.03 5.18 -0.00 -1.26 -2.58 119.36 118.87 3i1n n ILE 66 Ca -0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.61 3i1n n ILE 66 Cb 0.52 -0.91 -0.10 0.00 -0.00 0.00 0.00 39.64 39.15 3i1n n ILE 66 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 3i1n h ASP 67 N 0.00 -0.04 -3.48 7.28 3.32 -2.03 -3.37 116.42 118.11 3i1n h ASP 67 Ca 0.00 -0.66 -0.77 0.00 0.02 0.00 0.00 57.03 55.63 3i1n h ASP 67 Cb 0.00 0.01 -0.24 0.00 0.22 0.00 0.00 39.33 39.32 3i1n h ASP 67 CO 0.00 0.68 0.26 1.51 -1.72 0.00 0.00 179.24 179.97 3i1n s ASP 68 N -5.87 6.72 -0.28 6.45 -4.77 -1.07 -4.94 116.67 112.92 3i1n s ASP 68 Ca -0.16 -2.51 -0.17 0.00 -3.30 0.00 0.00 52.55 46.41 3i1n s ASP 68 Cb -0.01 -2.25 0.08 0.00 -1.09 0.00 0.00 42.92 39.65 3i1n s ASP 68 CO 0.62 -0.70 0.72 -0.22 0.70 0.00 0.00 175.17 176.29 3i1n s LEU 69 N 0.79 -0.90 0.08 2.11 2.96 -1.26 -4.44 118.68 118.03 3i1n s LEU 69 Ca 0.21 1.45 0.03 0.00 -0.22 0.00 0.00 54.13 55.61 3i1n s LEU 69 Cb -0.09 2.34 -0.03 0.00 0.50 0.00 0.00 46.19 48.90 3i1n s LEU 69 CO -0.09 -0.23 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.08 3i1n s LYS 70 N 1.52 0.75 -0.77 1.98 3.01 0.61 -0.55 119.74 126.29 3i1n s LYS 70 Ca -0.09 -1.03 -0.26 0.00 -1.01 0.00 0.00 55.97 53.58 3i1n s LYS 70 Cb -0.05 -0.47 0.04 0.00 -1.01 0.00 0.00 37.83 36.34 3i1n s LYS 70 CO -0.18 0.08 1.26 0.54 0.51 0.00 0.00 175.35 177.55 3i1n s VAL 71 N -2.08 3.84 -0.51 3.17 0.11 0.06 -2.57 120.40 122.42 3i1n s VAL 71 Ca 0.00 0.14 0.24 0.00 -2.93 0.00 0.00 61.98 59.43 3i1n s VAL 71 Cb -0.05 -4.90 0.25 0.00 -1.53 0.00 0.00 36.38 30.14 3i1n s VAL 71 CO -0.00 -1.81 1.55 0.71 -3.33 0.00 0.00 175.10 172.21 3i1n h THR 72 N 6.11 0.00 -2.49 5.04 1.35 -1.72 0.38 112.91 121.58 3i1n h THR 72 Ca -0.22 -0.81 -0.09 0.00 -0.55 0.00 0.00 66.41 64.74 3i1n h THR 72 Cb 1.05 1.70 -0.24 0.00 -1.73 0.00 0.00 68.15 68.93 3i1n h THR 72 CO 1.28 0.00 -0.15 -0.75 -0.25 0.00 0.00 175.52 175.65 3i1n s LYS 73 N -3.20 0.55 -0.30 4.72 2.47 -0.74 -4.71 119.74 118.53 3i1n s LYS 73 Ca 0.07 0.78 -0.03 0.00 -1.56 0.00 0.00 55.97 55.23 3i1n s LYS 73 Cb 0.08 0.19 0.19 0.00 -1.46 0.00 0.00 37.83 36.83 3i1n s LYS 73 CO 0.67 -0.10 0.69 -1.50 0.16 0.00 0.00 175.35 175.27 3i1n s ILE 74 N 0.71 -0.86 -0.09 5.43 1.10 -1.26 0.62 121.20 126.85 3i1n s ILE 74 Ca -0.04 0.00 -0.07 0.00 -0.51 0.00 0.00 60.65 60.03 3i1n s ILE 74 Cb -0.05 -0.99 0.03 0.00 0.15 0.00 0.00 42.46 41.60 3i1n s ILE 74 CO -0.05 0.00 0.23 0.72 -2.11 0.00 0.00 174.94 173.73 3i1n s PHE 75 N 2.88 -0.26 -0.18 3.50 -0.71 -1.02 -4.92 117.98 117.26 3i1n s PHE 75 Ca 0.16 0.63 0.01 0.00 -1.04 0.00 0.00 56.93 56.70 3i1n s PHE 75 Cb -0.14 0.08 0.02 0.00 -1.21 0.00 0.00 43.02 41.78 3i1n s PHE 75 CO -0.19 -0.14 -0.18 0.54 -1.34 0.00 0.00 175.22 173.91 3i1n s VAL 76 N 0.30 2.00 0.08 -2.49 0.11 -1.26 -2.68 120.40 116.46 3i1n s VAL 76 Ca -0.01 -0.97 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 3i1n s VAL 76 Cb -0.03 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3i1n s VAL 76 CO -0.01 0.47 0.12 -1.81 -3.33 0.00 0.00 175.10 170.54 3i1n s ASP 77 N 1.30 5.75 0.04 3.54 -0.00 -0.92 -4.92 116.67 121.46 3i1n s ASP 77 Ca 0.04 0.05 -0.30 0.00 -0.00 0.00 0.00 52.55 52.34 3i1n s ASP 77 Cb -0.14 -1.60 -0.04 0.00 -0.00 0.00 0.00 42.92 41.14 3i1n s ASP 77 CO -0.12 0.16 0.97 -1.83 -0.00 0.00 0.00 175.17 174.35 3i1n s GLU 78 N -2.49 4.61 0.00 8.23 -1.05 -1.26 -0.85 118.70 125.89 3i1n s GLU 78 Ca 0.31 1.43 0.00 0.00 -0.15 0.00 0.00 54.97 56.56 3i1n s GLU 78 Cb -0.12 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.14 3i1n s GLU 78 CO 0.24 0.05 0.00 0.41 0.95 0.00 0.00 175.26 176.91 3i1n n GLY 79 N 2.65 0.93 3.78 -3.83 0.00 -0.55 -4.82 105.19 103.35 3i1n n GLY 79 Ca 0.05 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.82 3i1n n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1n s PRO 80 N -1.17 1.56 -0.09 1.61 0.04 -1.26 -4.57 135.00 131.12 3i1n s PRO 80 Ca 0.00 0.53 0.05 0.00 0.04 0.00 0.00 61.00 61.62 3i1n s PRO 80 Cb 0.00 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.67 3i1n s PRO 80 CO 0.00 -1.96 -0.24 -1.12 0.04 0.00 0.00 177.00 173.72 3i1n s SER 81 N -3.86 3.11 -0.27 6.66 0.01 -1.26 -3.34 113.70 114.75 3i1n s SER 81 Ca 0.62 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 57.07 3i1n s SER 81 Cb -0.15 -1.22 0.01 0.00 0.21 0.00 0.00 66.02 64.87 3i1n s SER 81 CO 0.54 0.19 0.98 -0.04 0.41 0.00 0.00 173.24 175.32 3i1n s MET 82 N 0.16 4.16 -0.22 12.44 -1.94 0.12 -4.89 119.30 129.13 3i1n s MET 82 Ca -0.13 1.10 -0.09 0.00 -1.71 0.00 0.00 55.69 54.86 3i1n s MET 82 Cb -0.16 -3.68 -0.05 0.00 2.01 0.00 0.00 34.83 32.95 3i1n s MET 82 CO 0.07 -0.69 0.13 0.15 -0.01 0.00 0.00 175.02 174.67 3i1n s LYS 83 N 3.22 4.03 0.00 2.03 1.02 -1.26 -0.22 119.74 128.56 3i1n s LYS 83 Ca 0.41 -0.30 0.00 0.00 0.02 0.00 0.00 55.97 56.11 3i1n s LYS 83 Cb -0.14 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3i1n s LYS 83 CO 0.10 0.13 0.00 0.54 -0.92 0.00 0.00 175.35 175.19 3i1n n ARG 84 N 4.04 2.37 -3.78 1.68 5.12 -0.80 -5.00 116.66 120.29 3i1n n ARG 84 Ca -0.16 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.64 3i1n n ARG 84 Cb 0.52 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.70 3i1n n ARG 84 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3i1n s ILE 85 N 0.02 -0.00 -0.21 0.55 1.01 -1.18 -4.43 121.20 116.95 3i1n s ILE 85 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 3i1n s ILE 85 Cb 0.00 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.08 3i1n s ILE 85 CO 0.00 0.01 -0.06 -0.32 0.00 0.00 0.00 174.94 174.56 3i1n s MET 86 N 0.26 3.35 -0.02 2.79 -2.45 -0.99 -4.92 119.30 117.32 3i1n s MET 86 Ca -0.01 -0.65 -0.30 0.00 -1.25 0.00 0.00 55.69 53.48 3i1n s MET 86 Cb -0.03 -2.94 -0.05 0.00 1.25 0.00 0.00 34.83 33.07 3i1n s MET 86 CO -0.01 -0.16 1.37 -2.14 1.05 0.00 0.00 175.02 175.13 3i1n s PRO 87 N 1.36 4.29 0.55 4.11 0.02 -1.26 -1.37 135.00 142.70 3i1n s PRO 87 Ca 0.04 1.91 0.04 0.00 0.02 0.00 0.00 61.00 63.01 3i1n s PRO 87 Cb -0.14 -3.58 0.03 0.00 0.02 0.00 0.00 34.50 30.82 3i1n s PRO 87 CO -0.04 -0.56 0.27 0.50 -0.33 0.00 0.00 177.00 176.84 3i1n s ARG 88 N 2.44 2.23 0.53 5.54 6.06 0.13 -4.95 118.95 130.93 3i1n s ARG 88 Ca 0.62 -2.19 -0.21 0.00 -2.50 0.00 0.00 55.73 51.45 3i1n s ARG 88 Cb -0.30 -1.89 -0.05 0.00 0.06 0.00 0.00 34.95 32.77 3i1n s ARG 88 CO 0.25 -0.58 1.22 0.00 -2.50 0.00 0.00 175.30 173.69 3i1n s ALA 89 N -2.84 2.77 -1.26 6.12 0.00 -1.26 -3.18 121.76 122.11 3i1n s ALA 89 Ca 0.22 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3i1n s ALA 89 Cb -0.01 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3i1n s ALA 89 CO 0.14 -1.00 0.00 1.63 0.00 0.00 0.00 175.76 176.53 3i1n n LYS 90 N -1.06 -0.84 0.00 0.00 5.02 -1.26 -2.86 118.16 117.16 3i1n n LYS 90 Ca 0.11 0.90 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 3i1n n LYS 90 Cb 0.48 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.57 3i1n n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1n n GLY 91 N -1.47 1.27 3.75 0.72 0.00 -1.19 -5.03 105.19 103.23 3i1n n GLY 91 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 3i1n n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1n s ARG 92 N -0.61 4.30 0.06 1.61 0.52 -1.13 -4.84 118.95 118.86 3i1n s ARG 92 Ca 0.00 2.24 0.04 0.00 -0.52 0.00 0.00 55.73 57.49 3i1n s ARG 92 Cb 0.00 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 3i1n s ARG 92 CO 0.00 -0.36 -0.03 0.00 0.02 0.00 0.00 175.30 174.93 3i1n s ALA 93 N -0.10 3.18 0.54 2.13 0.00 -1.26 0.17 121.76 126.42 3i1n s ALA 93 Ca 0.58 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 51.47 3i1n s ALA 93 Cb -0.40 -1.16 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3i1n s ALA 93 CO 0.43 0.66 0.16 -0.51 0.00 0.00 0.00 175.76 176.50 3i1n s ASP 94 N -1.96 4.34 -0.13 0.00 -0.00 -0.47 -4.91 116.67 113.53 3i1n s ASP 94 Ca 0.22 -1.53 -0.12 0.00 -0.00 0.00 0.00 52.55 51.12 3i1n s ASP 94 Cb -0.11 0.59 -0.04 0.00 -0.00 0.00 0.00 42.92 43.35 3i1n s ASP 94 CO 0.14 -1.00 -0.23 -1.14 -0.00 0.00 0.00 175.17 172.93 3i1n n ARG 95 N -1.49 0.41 -1.89 8.23 3.00 -1.26 -2.35 116.66 121.30 3i1n n ARG 95 Ca -0.14 0.28 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3i1n n ARG 95 Cb 0.66 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.77 3i1n n ARG 95 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 3i1n n ILE 96 N -4.12 -7.78 -3.70 5.15 -5.35 -1.26 -3.09 119.36 99.21 3i1n n ILE 96 Ca -0.09 1.96 -0.38 0.00 -0.27 0.00 0.00 62.75 63.97 3i1n n ILE 96 Cb 0.35 -3.46 -0.12 0.00 -1.74 0.00 0.00 39.64 34.67 3i1n n ILE 96 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3i1n s LEU 97 N -0.30 3.89 -0.58 7.28 2.01 -1.26 -1.91 118.68 127.81 3i1n s LEU 97 Ca 0.00 -0.45 -0.25 0.00 0.01 0.00 0.00 54.13 53.44 3i1n s LEU 97 Cb 0.00 -1.97 0.04 0.00 0.01 0.00 0.00 46.19 44.28 3i1n s LEU 97 CO 0.00 -0.15 1.00 -0.54 1.01 0.00 0.00 176.35 177.68 3i1n s LYS 98 N 1.60 3.32 0.17 1.70 1.02 0.69 -4.93 119.74 123.32 3i1n s LYS 98 Ca 0.05 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.67 3i1n s LYS 98 Cb -0.17 -4.08 -0.07 0.00 -0.52 0.00 0.00 37.83 33.00 3i1n s LYS 98 CO 0.05 -1.60 0.53 1.03 -0.92 0.00 0.00 175.35 174.44 3i1n s ARG 99 N 4.23 3.87 0.19 1.68 0.52 -1.26 -0.70 118.95 127.48 3i1n s ARG 99 Ca 0.32 0.35 0.09 0.00 -0.52 0.00 0.00 55.73 55.97 3i1n s ARG 99 Cb -0.12 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 3i1n s ARG 99 CO 0.19 0.42 -0.19 0.95 0.02 0.00 0.00 175.30 176.69 3i1n s THR 100 N -1.60 1.97 0.11 0.02 -4.23 -1.18 -4.11 115.64 106.61 3i1n s THR 100 Ca 0.41 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.96 3i1n s THR 100 Cb -0.13 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3i1n s THR 100 CO 0.20 -0.34 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.32 3i1n s SER 101 N -2.86 2.35 -0.44 3.99 0.01 0.23 -1.48 113.70 115.50 3i1n s SER 101 Ca 0.19 -0.73 -0.09 0.00 1.31 0.00 0.00 55.95 56.63 3i1n s SER 101 Cb -0.05 -0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.15 3i1n s SER 101 CO 0.08 -0.01 0.29 -1.00 0.41 0.00 0.00 173.24 173.01 3i1n s HIS 102 N -1.50 3.37 0.06 2.43 3.76 -0.03 0.51 115.29 123.89 3i1n s HIS 102 Ca 0.07 -1.65 -0.24 0.00 -0.15 0.00 0.00 55.06 53.10 3i1n s HIS 102 Cb -0.08 -3.16 -0.06 0.00 1.11 0.00 0.00 32.58 30.39 3i1n s HIS 102 CO 0.04 -0.90 0.72 0.42 -0.85 0.00 0.00 174.74 174.17 3i1n s ILE 103 N 1.40 4.71 -0.08 0.60 1.09 -0.52 -2.17 121.20 126.23 3i1n s ILE 103 Ca 0.04 1.54 -0.01 0.00 -1.10 0.00 0.00 60.65 61.13 3i1n s ILE 103 Cb -0.24 -4.07 0.03 0.00 -1.06 0.00 0.00 42.46 37.11 3i1n s ILE 103 CO 0.01 0.41 -0.03 -0.89 -0.10 0.00 0.00 174.94 174.34 3i1n s THR 104 N -0.32 0.61 -0.14 2.92 2.01 -1.09 -0.69 115.64 118.94 3i1n s THR 104 Ca 0.36 -0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.30 3i1n s THR 104 Cb -0.20 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.59 3i1n s THR 104 CO 0.22 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.63 3i1n s VAL 105 N 1.70 3.05 -0.15 3.82 1.01 -0.43 -2.42 120.40 126.98 3i1n s VAL 105 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3i1n s VAL 105 Cb -0.13 -2.29 0.02 0.00 0.00 0.00 0.00 36.38 33.98 3i1n s VAL 105 CO -0.05 0.52 -0.16 -0.69 0.00 0.00 0.00 175.10 174.71 3i1n s VAL 106 N 0.45 1.73 -0.20 2.92 1.01 0.20 -1.59 120.40 124.93 3i1n s VAL 106 Ca -0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.16 3i1n s VAL 106 Cb -0.16 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.67 3i1n s VAL 106 CO 0.05 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 3i1n s VAL 107 N 1.33 1.81 0.00 2.92 1.01 -0.50 -1.80 120.40 125.16 3i1n s VAL 107 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3i1n s VAL 107 Cb -0.13 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3i1n s VAL 107 CO -0.10 0.25 0.00 -1.54 0.00 0.00 0.00 175.10 173.71 3i1n n SER 108 N 4.64 0.48 0.00 3.32 3.41 -1.06 -4.16 113.62 120.24 3i1n n SER 108 Ca -0.16 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 3i1n n SER 108 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3i1n n SER 108 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3i1n n ASP 109 N -1.76 1.15 0.00 4.04 5.68 -1.26 -0.28 116.55 124.12 3i1n n ASP 109 Ca 0.00 -1.46 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 3i1n n ASP 109 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3i1n n ASP 109 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73