#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8h s ARG 3 N 0.00 1.88 0.00 0.00 0.52 -1.26 -3.86 118.95 116.23 3i8h s ARG 3 Ca 0.00 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.71 3i8h s ARG 3 Cb 0.00 -5.05 0.00 0.00 0.52 0.00 0.00 34.95 30.42 3i8h s ARG 3 CO 0.00 -4.52 0.00 -0.89 0.02 0.00 0.00 175.30 169.91 3i8h n ILE 4 N 8.42 0.00 -1.39 1.52 2.08 -0.91 -4.90 119.36 124.17 3i8h n ILE 4 Ca 0.43 0.00 -0.51 0.00 0.56 0.00 0.00 62.75 63.23 3i8h n ILE 4 Cb 0.46 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.30 3i8h n ILE 4 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8h n ALA 5 N -3.00 -3.15 -0.06 -1.39 0.00 -1.26 -4.07 120.51 107.59 3i8h n ALA 5 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i8h n ALA 5 Cb 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3i8h n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 6 N 1.71 0.19 0.00 0.00 0.00 -1.26 -0.75 105.19 105.08 3i8h n GLY 6 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i8h n GLY 6 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i8h n VAL 7 N 0.00 0.00 -1.57 1.61 0.31 -1.26 -5.10 118.33 112.33 3i8h n VAL 7 Ca 0.00 0.00 -0.61 0.00 -0.01 0.00 0.00 64.34 63.72 3i8h n VAL 7 Cb 0.00 -0.06 -0.09 0.00 -0.91 0.00 0.00 33.84 32.78 3i8h n VAL 7 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8h n GLU 8 N -0.65 0.00 -3.98 5.55 1.02 0.07 -4.45 120.64 118.20 3i8h n GLU 8 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 3i8h n GLU 8 Cb 0.03 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 3i8h n GLU 8 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3i8h s ILE 9 N 1.77 2.69 0.75 -3.67 1.01 -1.26 -2.15 121.20 120.35 3i8h s ILE 9 Ca 0.94 -1.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.22 3i8h s ILE 9 Cb -1.34 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 38.77 3i8h s ILE 9 CO 0.69 0.03 1.05 -2.16 0.00 0.00 0.00 174.94 174.55 3i8h s PRO 10 N 1.23 1.63 -0.24 2.79 0.04 -1.25 -4.99 135.00 134.21 3i8h s PRO 10 Ca -0.04 -0.77 -0.29 0.00 0.04 0.00 0.00 61.00 59.93 3i8h s PRO 10 Cb -0.19 -2.21 0.17 0.00 0.04 0.00 0.00 34.50 32.31 3i8h s PRO 10 CO -0.04 -1.55 1.23 -0.98 0.04 0.00 0.00 177.00 175.70 3i8h s ARG 11 N -5.29 0.25 -0.48 4.56 1.70 -1.26 -4.08 118.95 114.35 3i8h s ARG 11 Ca 0.66 0.08 -0.06 0.00 -0.47 0.00 0.00 55.73 55.93 3i8h s ARG 11 Cb -0.06 0.12 0.06 0.00 -0.57 0.00 0.00 34.95 34.50 3i8h s ARG 11 CO 0.46 -0.08 0.15 0.09 -1.08 0.00 0.00 175.30 174.84 3i8h n ASN 12 N 0.69 -0.57 -2.83 -2.89 4.13 -1.26 -4.76 115.26 107.77 3i8h n ASN 12 Ca -0.04 -0.27 -0.11 0.00 1.68 0.00 0.00 54.58 55.84 3i8h n ASN 12 Cb 0.58 -0.51 0.05 0.00 -1.54 0.00 0.00 39.78 38.36 3i8h n ASN 12 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3i8h n LYS 13 N -1.53 0.92 -1.28 3.52 5.02 -1.26 -4.75 118.16 118.80 3i8h n LYS 13 Ca 0.03 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.18 3i8h n LYS 13 Cb 0.17 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3i8h n LYS 13 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i8h n ARG 14 N 0.83 -3.63 0.07 1.97 0.63 -1.26 -4.45 116.66 110.81 3i8h n ARG 14 Ca 0.10 2.66 -0.03 0.00 -0.92 0.00 0.00 57.85 59.67 3i8h n ARG 14 Cb 0.66 -2.97 -0.01 0.00 0.45 0.00 0.00 32.46 30.59 3i8h n ARG 14 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3i8h h VAL 15 N 1.68 0.00 -0.71 5.15 2.07 -1.10 -2.45 116.25 120.90 3i8h h VAL 15 Ca 0.00 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.65 3i8h h VAL 15 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 3i8h h VAL 15 CO 0.00 0.00 -0.13 -0.90 0.02 0.00 0.00 177.57 176.56 3i8h n ASP 16 N -2.52 -0.21 0.10 0.57 3.85 -1.26 0.30 116.55 117.38 3i8h n ASP 16 Ca -0.02 1.21 -0.13 0.00 -0.71 0.00 0.00 54.79 55.14 3i8h n ASP 16 Cb 0.07 -0.39 -0.08 0.00 -1.35 0.00 0.00 41.12 39.37 3i8h n ASP 16 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 3i8h h VAL 17 N 0.00 0.91 -0.87 2.12 2.07 -1.86 -3.28 116.25 115.35 3i8h h VAL 17 Ca 0.36 -0.66 0.22 0.00 0.82 0.00 0.00 66.70 67.44 3i8h h VAL 17 Cb 0.61 1.30 -0.13 0.00 -1.52 0.00 0.00 31.29 31.55 3i8h h VAL 17 CO -0.71 0.15 0.29 0.00 0.02 0.00 0.00 177.57 177.31 3i8h h ALA 18 N 0.13 1.30 -0.78 1.67 0.00 0.36 0.14 119.26 122.07 3i8h h ALA 18 Ca -0.03 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3i8h h ALA 18 Cb 0.44 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 3i8h h ALA 18 CO 0.04 -0.41 0.51 -0.07 0.00 0.00 0.00 179.25 179.32 3i8h h LEU 19 N 0.28 0.78 -1.54 0.00 -0.00 -1.39 -1.51 115.31 111.93 3i8h h LEU 19 Ca 0.54 -0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.65 3i8h h LEU 19 Cb 1.05 -0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 41.47 3i8h h LEU 19 CO -0.59 0.52 0.64 0.74 -0.00 0.00 0.00 178.44 179.75 3i8h h THR 20 N 0.90 0.61 0.00 0.22 2.02 -0.80 -0.89 112.91 114.96 3i8h h THR 20 Ca 0.32 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.38 3i8h h THR 20 Cb 0.13 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3i8h h THR 20 CO -0.10 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.63 3i8h n TYR 21 N -4.50 0.00 -4.84 3.16 0.53 -0.57 -4.64 117.16 106.30 3i8h n TYR 21 Ca 0.21 -0.18 -0.25 0.00 -1.02 0.00 0.00 57.90 56.66 3i8h n TYR 21 Cb 0.81 -0.14 -0.16 0.00 -1.03 0.00 0.00 39.34 38.82 3i8h n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3i8h s ILE 22 N 0.16 1.41 -0.47 -0.72 1.01 -0.34 -4.88 121.20 117.38 3i8h s ILE 22 Ca 0.00 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.63 3i8h s ILE 22 Cb 0.00 -1.19 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3i8h s ILE 22 CO 0.00 0.40 1.72 -0.47 0.00 0.00 0.00 174.94 176.60 3i8h s TYR 23 N -0.21 1.89 0.00 3.97 6.14 -1.26 -1.72 117.35 126.16 3i8h s TYR 23 Ca 0.02 0.67 0.00 0.00 0.64 0.00 0.00 57.07 58.40 3i8h s TYR 23 Cb -0.09 -4.17 0.00 0.00 0.42 0.00 0.00 41.96 38.12 3i8h s TYR 23 CO 0.01 -2.48 0.00 0.41 0.64 0.00 0.00 175.55 174.13 3i8h n GLY 24 N 5.45 1.62 3.20 8.97 0.00 -1.26 0.03 105.19 123.20 3i8h n GLY 24 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3i8h n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8h s ILE 25 N -2.00 -0.03 0.27 -0.61 1.01 -0.70 -4.91 121.20 114.23 3i8h s ILE 25 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.74 3i8h s ILE 25 Cb 0.00 -0.52 0.00 0.00 0.01 0.00 0.00 42.46 41.96 3i8h s ILE 25 CO 0.00 0.04 0.36 0.61 0.00 0.00 0.00 174.94 175.94 3i8h n GLY 26 N 3.99 2.44 0.30 6.18 0.00 -1.26 -4.19 105.19 112.66 3i8h n GLY 26 Ca -0.22 -1.59 0.01 0.00 0.00 0.00 0.00 46.02 44.22 3i8h n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8h n LYS 27 N -0.45 -0.15 0.00 1.61 5.02 -1.26 -0.38 118.16 122.55 3i8h n LYS 27 Ca 0.01 1.25 0.00 0.00 -2.02 0.00 0.00 58.31 57.55 3i8h n LYS 27 Cb 0.45 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3i8h n LYS 27 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i8h n ALA 28 N -3.62 0.00 -0.25 7.82 0.00 -1.26 -1.11 120.51 122.10 3i8h n ALA 28 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 3i8h n ALA 28 Cb 0.35 0.04 0.01 0.00 0.00 0.00 0.00 19.45 19.85 3i8h n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i8h h ARG 29 N 0.00 -0.13 0.00 0.00 3.08 -1.90 -1.62 114.38 113.81 3i8h h ARG 29 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i8h h ARG 29 Cb 0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3i8h h ARG 29 CO 0.00 -0.09 0.00 0.00 -1.07 0.00 0.00 179.97 178.81 3i8h n ALA 30 N -3.22 -0.05 -0.32 0.04 0.00 0.49 -0.08 120.51 117.37 3i8h n ALA 30 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.66 3i8h n ALA 30 Cb 0.36 0.25 0.34 0.00 0.00 0.00 0.00 19.45 20.41 3i8h n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i8h h LYS 31 N 0.00 0.07 0.38 0.00 1.57 -0.96 0.11 116.57 117.73 3i8h h LYS 31 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i8h h LYS 31 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3i8h h LYS 31 CO 0.00 0.05 -0.25 1.49 -0.57 0.00 0.00 179.45 180.16 3i8h h GLU 32 N 0.07 -0.59 -0.19 3.15 4.22 -0.61 -2.19 114.58 118.44 3i8h h GLU 32 Ca 0.63 0.04 0.06 0.00 0.08 0.00 0.00 59.36 60.17 3i8h h GLU 32 Cb 1.38 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3i8h h GLU 32 CO -0.81 -0.39 0.29 0.00 -2.18 0.00 0.00 179.01 175.91 3i8h h ALA 33 N -0.04 1.73 -0.00 2.92 0.00 0.21 -1.04 119.26 123.04 3i8h h ALA 33 Ca -0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3i8h h ALA 33 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3i8h h ALA 33 CO 0.03 -0.39 -0.65 -0.07 0.00 0.00 0.00 179.25 178.17 3i8h h LEU 34 N 0.00 0.02 0.00 0.00 3.38 -0.72 -2.59 115.31 115.39 3i8h h LEU 34 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i8h h LEU 34 Cb 0.66 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i8h h LEU 34 CO -0.00 0.67 -0.75 1.05 0.09 0.00 0.00 178.44 179.50 3i8h h GLU 35 N 0.01 0.00 0.14 1.13 4.11 -1.14 0.44 114.58 119.27 3i8h h GLU 35 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 3i8h h GLU 35 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3i8h h GLU 35 CO 0.09 0.00 -0.07 0.87 0.07 0.00 0.00 179.01 179.97 3i8h h LYS 36 N 0.00 -0.19 0.00 1.06 1.79 -1.50 -3.06 116.57 114.67 3i8h h LYS 36 Ca 0.00 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3i8h h LYS 36 Cb 0.98 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 3i8h h LYS 36 CO 0.00 -0.07 0.00 0.25 -1.08 0.00 0.00 179.45 178.55 3i8h n THR 37 N -4.90 0.28 -1.18 -0.16 -2.24 -0.98 -4.81 114.28 100.28 3i8h n THR 37 Ca -0.03 0.07 -0.06 0.00 -2.27 0.00 0.00 64.05 61.76 3i8h n THR 37 Cb 0.10 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 3i8h n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i8h n GLY 38 N -0.39 0.72 3.73 3.38 0.00 -0.94 -4.98 105.19 106.71 3i8h n GLY 38 Ca 0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3i8h n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8h s ILE 39 N -1.80 4.58 0.13 -0.61 1.01 0.15 -4.92 121.20 119.74 3i8h s ILE 39 Ca 0.00 1.95 -0.30 0.00 0.00 0.00 0.00 60.65 62.30 3i8h s ILE 39 Cb 0.00 -4.27 -0.07 0.00 0.01 0.00 0.00 42.46 38.13 3i8h s ILE 39 CO 0.00 0.32 1.21 0.21 0.00 0.00 0.00 174.94 176.68 3i8h s ASN 40 N 0.04 7.07 0.13 3.58 2.47 -1.26 -4.35 114.94 122.62 3i8h s ASN 40 Ca 0.45 2.15 -0.15 0.00 0.42 0.00 0.00 52.86 55.73 3i8h s ASN 40 Cb -0.22 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 36.98 3i8h s ASN 40 CO 0.28 -0.43 1.65 -0.65 -3.72 0.00 0.00 177.10 174.23 3i8h h PRO 41 N 5.98 0.65 -1.03 0.43 0.11 -1.95 -3.19 132.00 133.01 3i8h h PRO 41 Ca -0.43 -0.15 0.27 0.00 0.11 0.00 0.00 66.00 65.80 3i8h h PRO 41 Cb 1.21 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 3i8h h PRO 41 CO 0.78 0.66 0.62 0.00 -0.21 0.00 0.00 178.00 179.85 3i8h h ALA 42 N 0.97 1.97 -2.19 -0.75 0.00 -2.00 -3.27 119.26 113.99 3i8h h ALA 42 Ca 0.13 0.11 -0.60 0.00 0.00 0.00 0.00 54.91 54.56 3i8h h ALA 42 Cb 0.28 0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.20 3i8h h ALA 42 CO -0.00 -0.44 0.49 0.25 0.00 0.00 0.00 179.25 179.55 3i8h n THR 43 N -4.82 1.11 -2.72 0.00 -2.24 -1.21 -4.71 114.28 99.70 3i8h n THR 43 Ca 0.27 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 3i8h n THR 43 Cb 0.83 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.72 3i8h n THR 43 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i8h s ARG 44 N -0.61 4.29 0.64 -0.78 1.81 -1.26 -0.96 118.95 122.07 3i8h s ARG 44 Ca 0.67 1.28 0.13 0.00 -1.72 0.00 0.00 55.73 56.10 3i8h s ARG 44 Cb -0.69 -3.61 0.47 0.00 -0.45 0.00 0.00 34.95 30.67 3i8h s ARG 44 CO 0.52 -0.52 1.18 -0.24 -0.68 0.00 0.00 175.30 175.56 3i8h h VAL 45 N 5.35 0.01 -0.82 3.52 3.04 -1.87 0.34 116.25 125.81 3i8h h VAL 45 Ca -0.23 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.66 3i8h h VAL 45 Cb 1.09 0.04 -0.14 0.00 -2.01 0.00 0.00 31.29 30.27 3i8h h VAL 45 CO 0.93 0.00 0.14 0.50 -1.01 0.00 0.00 177.57 178.13 3i8h h LYS 46 N 0.00 0.17 -3.91 4.17 3.64 -1.88 -3.39 116.57 115.37 3i8h h LYS 46 Ca 0.21 -0.01 -0.44 0.00 -1.27 0.00 0.00 60.65 59.14 3i8h h LYS 46 Cb 2.32 -0.04 -0.36 0.00 -0.41 0.00 0.00 32.23 33.73 3i8h h LYS 46 CO -0.00 0.11 -0.77 0.16 -2.27 0.00 0.00 179.45 176.68 3i8h s ASP 47 N -5.14 1.45 -0.30 4.20 1.47 0.12 -4.90 116.67 113.56 3i8h s ASP 47 Ca -0.13 -0.13 -0.17 0.00 1.18 0.00 0.00 52.55 53.30 3i8h s ASP 47 Cb 0.24 -0.51 0.19 0.00 -0.34 0.00 0.00 42.92 42.50 3i8h s ASP 47 CO 0.76 -0.13 1.19 -1.48 0.68 0.00 0.00 175.17 176.19 3i8h s LEU 48 N 1.53 -0.22 -0.04 2.11 2.34 -1.26 -4.56 118.68 118.58 3i8h s LEU 48 Ca -0.01 0.31 -0.06 0.00 0.06 0.00 0.00 54.13 54.43 3i8h s LEU 48 Cb -0.13 1.27 -0.03 0.00 -0.56 0.00 0.00 46.19 46.74 3i8h s LEU 48 CO -0.04 -0.05 0.19 0.41 -1.06 0.00 0.00 176.35 175.81 3i8h n THR 49 N 4.20 0.00 0.33 5.48 -1.04 -1.26 -4.48 114.28 117.51 3i8h n THR 49 Ca -0.11 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.02 3i8h n THR 49 Cb 0.55 -0.04 0.64 0.00 -1.82 0.00 0.00 70.33 69.66 3i8h n THR 49 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3i8h h GLU 50 N 0.57 0.00 0.29 -2.82 4.39 -2.00 0.41 114.58 115.42 3i8h h GLU 50 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 3i8h h GLU 50 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3i8h h GLU 50 CO 0.12 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.83 3i8h h ALA 51 N 1.06 -0.39 -1.00 3.43 0.00 -2.00 -1.89 119.26 118.47 3i8h h ALA 51 Ca 0.00 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.87 3i8h h ALA 51 Cb 0.93 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3i8h h ALA 51 CO 0.00 -0.50 0.62 0.93 0.00 0.00 0.00 179.25 180.30 3i8h h GLU 52 N -0.82 0.87 -0.87 0.00 5.08 -0.51 0.29 114.58 118.61 3i8h h GLU 52 Ca -0.04 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3i8h h GLU 52 Cb 0.51 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3i8h h GLU 52 CO 0.07 0.57 0.54 0.28 -1.00 0.00 0.00 179.01 179.47 3i8h h VAL 53 N 0.89 1.04 0.06 3.13 2.07 -1.14 0.15 116.25 122.45 3i8h h VAL 53 Ca 0.53 -0.34 -0.24 0.00 0.82 0.00 0.00 66.70 67.47 3i8h h VAL 53 Cb 0.66 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3i8h h VAL 53 CO -0.30 0.18 -1.09 0.58 0.02 0.00 0.00 177.57 176.96 3i8h h VAL 54 N 0.98 1.57 -0.22 2.57 2.07 0.14 -0.63 116.25 122.75 3i8h h VAL 54 Ca 0.38 -3.10 -0.02 0.00 0.82 0.00 0.00 66.70 64.78 3i8h h VAL 54 Cb 0.18 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3i8h h VAL 54 CO -0.18 0.90 0.07 -0.09 0.02 0.00 0.00 177.57 178.29 3i8h h ARG 55 N 0.06 0.34 0.30 1.57 2.43 0.05 0.22 114.38 119.35 3i8h h ARG 55 Ca -0.07 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3i8h h ARG 55 Cb 1.81 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 3i8h h ARG 55 CO 0.16 0.43 -0.15 1.25 -1.51 0.00 0.00 179.97 180.16 3i8h h LEU 56 N 0.18 -0.35 -0.50 3.80 7.12 -0.78 -0.44 115.31 124.34 3i8h h LEU 56 Ca 0.07 -0.11 0.06 0.00 0.13 0.00 0.00 57.88 58.03 3i8h h LEU 56 Cb 0.24 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.37 3i8h h LEU 56 CO -0.00 -0.10 -0.56 -0.09 -0.13 0.00 0.00 178.44 177.56 3i8h h ARG 57 N -0.59 -0.32 0.24 1.25 9.65 -0.94 -1.60 114.38 122.05 3i8h h ARG 57 Ca -0.04 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3i8h h ARG 57 Cb 0.43 0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 3i8h h ARG 57 CO 0.07 -0.22 -0.23 0.93 2.80 0.00 0.00 179.97 183.33 3i8h h GLU 58 N -0.34 -0.47 0.00 0.20 5.08 -0.55 -3.01 114.58 115.50 3i8h h GLU 58 Ca 0.09 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3i8h h GLU 58 Cb 0.56 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3i8h h GLU 58 CO -0.65 -0.32 0.00 0.98 -1.00 0.00 0.00 179.01 178.03 3i8h n TYR 59 N -5.35 0.00 0.00 4.33 9.36 -0.18 -2.42 117.16 122.90 3i8h n TYR 59 Ca -0.08 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.14 3i8h n TYR 59 Cb 0.26 -0.04 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 3i8h n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3i8h n VAL 60 N -1.02 0.00 -0.30 2.97 0.31 -0.65 0.07 118.33 119.71 3i8h n VAL 60 Ca 0.00 0.76 0.00 0.00 -0.01 0.00 0.00 64.34 65.09 3i8h n VAL 60 Cb 0.00 -1.10 0.04 0.00 -0.91 0.00 0.00 33.84 31.87 3i8h n VAL 60 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8h n GLU 61 N -1.18 -0.17 0.09 5.55 1.02 -1.14 -0.50 120.64 124.31 3i8h n GLU 61 Ca 0.00 1.21 -0.08 0.00 -0.02 0.00 0.00 57.16 58.27 3i8h n GLU 61 Cb 0.00 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 29.63 3i8h n GLU 61 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3i8h h ASN 62 N 0.00 0.25 0.26 1.62 -1.24 -1.05 -3.38 115.58 112.04 3i8h h ASN 62 Ca 0.29 -0.19 -0.01 0.00 0.71 0.00 0.00 56.30 57.10 3i8h h ASN 62 Cb 0.49 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.46 3i8h h ASN 62 CO -0.78 0.97 -0.13 0.74 -1.29 0.00 0.00 177.43 176.94 3i8h h THR 63 N 0.11 0.00 -4.01 -3.57 2.02 0.23 -3.45 112.91 104.24 3i8h h THR 63 Ca -0.04 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.76 3i8h h THR 63 Cb 1.44 0.00 -0.29 0.00 -1.74 0.00 0.00 68.15 67.57 3i8h h THR 63 CO 0.13 0.00 -0.78 -1.66 0.37 0.00 0.00 175.52 173.58 3i8h s TRP 64 N -3.80 0.77 0.34 3.16 -2.14 -1.11 -5.09 118.94 111.07 3i8h s TRP 64 Ca -0.05 -0.15 -0.29 0.00 2.66 0.00 0.00 56.10 58.27 3i8h s TRP 64 Cb 0.01 -0.50 -0.11 0.00 -3.10 0.00 0.00 33.47 29.77 3i8h s TRP 64 CO 0.16 -0.02 1.40 -1.59 -2.66 0.00 0.00 176.95 174.24 3i8h s LYS 65 N -0.18 4.25 0.00 3.25 -2.85 -1.26 -4.62 119.74 118.33 3i8h s LYS 65 Ca 0.03 2.37 0.00 0.00 -1.00 0.00 0.00 55.97 57.37 3i8h s LYS 65 Cb -0.04 -3.04 0.00 0.00 -2.06 0.00 0.00 37.83 32.70 3i8h s LYS 65 CO -0.00 -0.36 0.00 1.28 0.10 0.00 0.00 175.35 176.37 3i8h n LEU 66 N 0.90 0.00 0.00 2.77 4.32 -1.26 -4.53 117.00 119.20 3i8h n LEU 66 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 3i8h n LEU 66 Cb 0.40 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3i8h n LEU 66 CO 0.61 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.99 3i8h n GLU 67 N 0.00 0.00 0.00 3.23 0.00 0.10 0.10 120.64 124.07 3i8h n GLU 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 3i8h n GLU 67 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 3i8h n GLU 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i8h n GLY 68 N -0.08 -2.81 0.29 8.31 0.00 -1.26 -1.44 105.19 108.19 3i8h n GLY 68 Ca 0.00 0.50 0.09 0.00 0.00 0.00 0.00 46.02 46.60 3i8h n GLY 68 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i8h h GLU 69 N 0.00 0.25 0.00 1.61 4.39 -1.75 -2.39 114.58 116.69 3i8h h GLU 69 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3i8h h GLU 69 Cb 0.00 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3i8h h GLU 69 CO 0.00 0.17 0.00 -0.11 -1.16 0.00 0.00 179.01 177.91 3i8h n LEU 70 N -5.18 0.00 -0.26 1.33 -0.00 0.28 -1.62 117.00 111.55 3i8h n LEU 70 Ca 0.17 0.81 -0.00 0.00 -0.00 0.00 0.00 56.01 56.99 3i8h n LEU 70 Cb 0.55 -0.31 0.06 0.00 -0.00 0.00 0.00 43.42 43.72 3i8h n LEU 70 CO 0.10 -0.31 0.67 -0.09 -0.00 0.00 0.00 177.39 177.76 3i8h h ARG 71 N 0.00 -0.05 -0.44 1.96 2.43 -1.16 -1.43 114.38 115.70 3i8h h ARG 71 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 3i8h h ARG 71 Cb 0.00 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 3i8h h ARG 71 CO 0.00 -0.03 -0.28 0.00 -1.51 0.00 0.00 179.97 178.15 3i8h h ALA 72 N 1.51 -0.05 -0.23 2.80 0.00 -1.33 -2.75 119.26 119.21 3i8h h ALA 72 Ca 0.33 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 3i8h h ALA 72 Cb 0.57 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3i8h h ALA 72 CO -0.79 -0.66 -0.02 1.49 0.00 0.00 0.00 179.25 179.27 3i8h h GLU 73 N -0.19 0.43 -0.90 0.00 4.81 -0.32 -2.91 114.58 115.49 3i8h h GLU 73 Ca 0.20 -0.15 0.26 0.00 -0.13 0.00 0.00 59.36 59.54 3i8h h GLU 73 Cb 0.51 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3i8h h GLU 73 CO -0.55 0.63 0.80 0.28 -0.73 0.00 0.00 179.01 179.44 3i8h h VAL 74 N 0.18 0.30 0.04 0.32 2.07 -1.01 0.58 116.25 118.72 3i8h h VAL 74 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 3i8h h VAL 74 Cb 0.45 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3i8h h VAL 74 CO 0.02 0.00 -0.24 0.00 0.02 0.00 0.00 177.57 177.37 3i8h h ALA 75 N 1.24 -0.02 -0.96 1.67 0.00 -1.36 -2.54 119.26 117.30 3i8h h ALA 75 Ca 0.43 -0.54 0.17 0.00 0.00 0.00 0.00 54.91 54.96 3i8h h ALA 75 Cb 2.03 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 3i8h h ALA 75 CO -0.00 0.10 0.61 0.00 0.00 0.00 0.00 179.25 179.95 3i8h h ALA 76 N 0.06 1.77 0.61 0.00 0.00 0.04 0.78 119.26 122.53 3i8h h ALA 76 Ca -0.04 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i8h h ALA 76 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i8h h ALA 76 CO 0.05 -0.07 -0.36 -0.91 0.00 0.00 0.00 179.25 177.96 3i8h h ASN 77 N 0.74 -0.89 -0.20 0.00 2.35 -0.20 0.60 115.58 117.99 3i8h h ASN 77 Ca 0.51 0.05 0.02 0.00 -0.55 0.00 0.00 56.30 56.33 3i8h h ASN 77 Cb 0.81 0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.41 3i8h h ASN 77 CO -0.28 -0.57 0.05 0.40 -1.65 0.00 0.00 177.43 175.39 3i8h h ILE 78 N -0.91 0.93 -0.30 2.81 2.04 -0.25 -0.95 117.51 120.89 3i8h h ILE 78 Ca -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3i8h h ILE 78 Cb 0.73 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3i8h h ILE 78 CO 0.09 0.02 0.19 0.50 0.00 0.00 0.00 178.15 178.95 3i8h h LYS 79 N 0.13 0.40 -0.38 2.37 3.64 0.52 0.38 116.57 123.63 3i8h h LYS 79 Ca 0.09 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3i8h h LYS 79 Cb 0.07 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3i8h h LYS 79 CO -0.10 0.27 -0.06 -0.09 -2.27 0.00 0.00 179.45 177.19 3i8h h ARG 80 N 0.41 0.63 -0.35 1.90 2.43 -0.01 -1.45 114.38 117.93 3i8h h ARG 80 Ca 0.11 -0.17 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3i8h h ARG 80 Cb -0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3i8h h ARG 80 CO -0.02 0.69 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.93 3i8h h LEU 81 N 0.58 0.61 0.00 3.80 3.38 0.93 -3.16 115.31 121.45 3i8h h LEU 81 Ca 0.11 -0.17 -0.37 0.00 0.09 0.00 0.00 57.88 57.54 3i8h h LEU 81 Cb 0.46 -0.16 0.10 0.00 0.09 0.00 0.00 40.66 41.15 3i8h h LEU 81 CO 0.02 0.76 0.20 0.23 0.09 0.00 0.00 178.44 179.75 3i8h n MET 82 N -4.18 -0.44 0.00 1.13 2.81 0.30 -3.49 117.12 113.26 3i8h n MET 82 Ca 0.01 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 53.87 3i8h n MET 82 Cb 0.35 -0.79 0.00 0.00 -0.71 0.00 0.00 33.22 32.07 3i8h n MET 82 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3i8h n ASP 83 N -3.25 0.00 -0.12 7.83 9.92 -1.24 -4.03 116.55 125.66 3i8h n ASP 83 Ca 0.14 0.00 0.11 0.00 -0.53 0.00 0.00 54.79 54.51 3i8h n ASP 83 Cb 0.49 0.00 0.47 0.00 -0.64 0.00 0.00 41.12 41.43 3i8h n ASP 83 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3i8h h ILE 84 N 0.00 0.90 -0.75 0.53 6.09 -1.71 -3.46 117.51 119.11 3i8h h ILE 84 Ca 0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 3i8h h ILE 84 Cb 0.00 0.37 0.00 0.00 0.47 0.00 0.00 36.82 37.66 3i8h h ILE 84 CO 0.00 0.09 0.00 0.61 -3.07 0.00 0.00 178.15 175.78 3i8h n GLY 85 N -1.50 0.88 3.92 8.18 0.00 -1.25 -5.07 105.19 110.35 3i8h n GLY 85 Ca 0.11 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 3i8h n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8h h TYR 87 N 2.59 -1.34 0.00 0.00 3.20 -1.98 0.65 116.97 120.10 3i8h h TYR 87 Ca -0.47 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.45 3i8h h TYR 87 Cb 1.17 0.59 0.00 0.00 1.54 0.00 0.00 36.73 40.04 3i8h h TYR 87 CO 0.58 -0.52 0.09 -2.13 -1.64 0.00 0.00 178.16 174.54 3i8h n ARG 88 N -5.45 0.00 -0.09 1.82 0.00 -1.26 -1.34 116.66 110.34 3i8h n ARG 88 Ca -0.06 0.30 -0.11 0.00 -0.00 0.00 0.00 57.85 57.98 3i8h n ARG 88 Cb 0.38 -1.59 -0.09 0.00 0.00 0.00 0.00 32.46 31.16 3i8h n ARG 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8h n GLY 89 N -1.28 -0.39 0.00 5.14 0.00 0.19 -4.33 105.19 104.52 3i8h n GLY 89 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3i8h n GLY 89 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i8h n LEU 90 N -2.91 0.00 0.01 0.99 -0.00 0.98 -0.98 117.00 115.10 3i8h n LEU 90 Ca -0.31 0.23 -0.09 0.00 -0.00 0.00 0.00 56.01 55.84 3i8h n LEU 90 Cb 0.89 -0.23 -0.13 0.00 -0.00 0.00 0.00 43.42 43.95 3i8h n LEU 90 CO 0.22 -0.09 -0.27 0.03 -0.00 0.00 0.00 177.39 177.27 3i8h h ARG 91 N 0.00 0.02 -0.05 1.47 2.47 -1.63 -2.88 114.38 113.78 3i8h h ARG 91 Ca 0.00 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.50 3i8h h ARG 91 Cb 0.13 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3i8h h ARG 91 CO 0.00 0.73 -0.77 0.45 0.56 0.00 0.00 179.97 180.94 3i8h h HIS 92 N 0.01 0.46 0.45 3.04 3.86 -1.25 -1.85 115.15 119.86 3i8h h HIS 92 Ca -0.18 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 58.79 3i8h h HIS 92 Cb 1.93 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 30.34 3i8h h HIS 92 CO 0.01 0.98 -0.21 0.00 0.86 0.00 0.00 177.93 179.56 3i8h h ARG 93 N 0.22 -0.58 -0.49 2.45 3.08 -1.45 -2.88 114.38 114.74 3i8h h ARG 93 Ca -0.04 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8h h ARG 93 Cb 1.35 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.53 3i8h h ARG 93 CO 0.13 -0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.20 3i8h n ARG 94 N -5.34 1.36 -2.33 0.04 3.00 -1.09 -4.92 116.66 107.39 3i8h n ARG 94 Ca -0.11 -0.38 -0.09 0.00 -0.01 0.00 0.00 57.85 57.26 3i8h n ARG 94 Cb 0.26 -1.32 -0.01 0.00 0.00 0.00 0.00 32.46 31.39 3i8h n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i8h n GLY 95 N 0.39 -0.36 3.91 -0.13 0.00 -0.83 -4.97 105.19 103.20 3i8h n GLY 95 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3i8h n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8h s LEU 96 N -5.18 4.16 -0.37 0.99 1.43 -0.76 -4.43 118.68 114.52 3i8h s LEU 96 Ca 0.00 0.02 -0.36 0.00 -1.03 0.00 0.00 54.13 52.76 3i8h s LEU 96 Cb 0.00 -2.72 -0.12 0.00 0.03 0.00 0.00 46.19 43.38 3i8h s LEU 96 CO 0.00 -0.00 2.19 -0.81 0.23 0.00 0.00 176.35 177.96 3i8h n PRO 97 N -0.92 0.94 0.20 1.29 -0.04 -1.26 -4.62 135.00 130.59 3i8h n PRO 97 Ca -0.08 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 3i8h n PRO 97 Cb 0.56 -2.35 0.39 0.00 -0.04 0.00 0.00 33.50 32.06 3i8h n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3i8h h VAL 98 N 7.10 0.94 -3.25 0.52 2.07 -1.95 -3.39 116.25 118.29 3i8h h VAL 98 Ca -0.25 -1.34 -0.79 0.00 0.82 0.00 0.00 66.70 65.14 3i8h h VAL 98 Cb 1.33 1.80 -0.26 0.00 -1.52 0.00 0.00 31.29 32.63 3i8h h VAL 98 CO 1.03 0.34 0.65 0.54 0.02 0.00 0.00 177.57 180.16 3i8h n ARG 99 N -3.68 3.65 0.00 1.57 1.74 -1.26 -4.93 116.66 113.75 3i8h n ARG 99 Ca -0.01 -4.37 0.00 0.00 -0.77 0.00 0.00 57.85 52.70 3i8h n ARG 99 Cb 0.45 -2.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 3i8h n ARG 99 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8h n GLY 100 N 2.68 0.24 3.60 -0.13 0.00 -1.26 -4.90 105.19 105.43 3i8h n GLY 100 Ca 0.26 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.89 3i8h n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8h n GLN 101 N 0.00 -0.05 -4.85 1.61 6.02 -1.26 -4.85 117.38 114.00 3i8h n GLN 101 Ca 0.00 0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.74 3i8h n GLN 101 Cb 0.00 -0.06 -0.15 0.00 1.02 0.00 0.00 30.24 31.06 3i8h n GLN 101 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3i8h s ARG 102 N -0.51 1.66 -0.00 -1.09 1.70 -1.26 -5.04 118.95 114.41 3i8h s ARG 102 Ca 0.00 -0.99 0.04 0.00 -0.47 0.00 0.00 55.73 54.30 3i8h s ARG 102 Cb 0.00 -1.77 -0.04 0.00 -0.57 0.00 0.00 34.95 32.58 3i8h s ARG 102 CO 0.00 0.46 0.15 0.25 -1.08 0.00 0.00 175.30 175.08 3i8h n THR 103 N 1.95 0.00 0.24 4.99 -2.24 -1.26 -4.56 114.28 113.40 3i8h n THR 103 Ca -0.17 -0.40 0.18 0.00 -2.27 0.00 0.00 64.05 61.39 3i8h n THR 103 Cb 0.52 0.97 0.88 0.00 -2.10 0.00 0.00 70.33 70.60 3i8h n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3i8h h ARG 104 N 0.00 0.00 0.00 -0.78 2.43 -2.02 -3.44 114.38 110.57 3i8h h ARG 104 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3i8h h ARG 104 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3i8h h ARG 104 CO 0.00 0.00 0.07 0.25 -1.51 0.00 0.00 179.97 178.78 3i8h n THR 105 N -3.51 0.00 -1.38 0.20 -2.24 -1.26 -5.09 114.28 101.00 3i8h n THR 105 Ca 0.01 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3i8h n THR 105 Cb 0.33 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 3i8h n THR 105 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i8h n ASN 106 N -1.29 -2.65 0.00 3.42 4.13 -1.26 -4.84 115.26 112.77 3i8h n ASN 106 Ca -0.02 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.47 3i8h n ASN 106 Cb 0.20 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.85 3i8h n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i8h n ALA 107 N 1.11 0.00 -0.23 5.41 0.00 -1.26 -4.69 120.51 120.85 3i8h n ALA 107 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3i8h n ALA 107 Cb 0.12 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.66 3i8h n ALA 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8h n ARG 108 N 0.00 -0.06 -0.36 0.00 3.00 -1.26 -1.40 116.66 116.59 3i8h n ARG 108 Ca 0.00 1.01 0.08 0.00 -0.01 0.00 0.00 57.85 58.93 3i8h n ARG 108 Cb 0.05 -1.50 0.18 0.00 0.00 0.00 0.00 32.46 31.18 3i8h n ARG 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3i8h n THR 109 N -5.05 -0.42 -1.11 0.55 -1.04 -1.26 0.11 114.28 106.07 3i8h n THR 109 Ca 0.10 2.26 -0.00 0.00 -2.04 0.00 0.00 64.05 64.37 3i8h n THR 109 Cb 0.33 -3.17 0.27 0.00 -1.82 0.00 0.00 70.33 65.94 3i8h n THR 109 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3i8h n ARG 110 N -5.59 3.07 0.00 -2.82 0.63 -0.49 -4.28 116.66 107.18 3i8h n ARG 110 Ca 0.18 -3.03 0.00 0.00 -0.92 0.00 0.00 57.85 54.08 3i8h n ARG 110 Cb 0.57 -2.00 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3i8h n ARG 110 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i8h n LYS 111 N -0.47 -0.40 -0.81 -0.14 4.81 0.31 -4.36 118.16 117.10 3i8h n LYS 111 Ca 0.32 -0.22 0.11 0.00 -0.87 0.00 0.00 58.31 57.65 3i8h n LYS 111 Cb 1.14 -0.71 -0.03 0.00 0.02 0.00 0.00 35.03 35.44 3i8h n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i8h n GLY 112 N -0.00 -2.01 3.54 3.14 0.00 0.76 -4.86 105.19 105.76 3i8h n GLY 112 Ca 0.00 -1.30 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 3i8h n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i8h n PRO 113 N -3.19 0.27 -1.80 1.61 -0.02 -1.26 -4.75 135.00 125.87 3i8h n PRO 113 Ca -0.01 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.19 3i8h n PRO 113 Cb 0.37 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3i8h n PRO 113 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i8h s ARG 114 N -3.25 4.13 -1.08 -0.52 0.52 -1.26 -4.92 118.95 112.57 3i8h s ARG 114 Ca 0.68 2.44 -0.03 0.00 -0.52 0.00 0.00 55.73 58.30 3i8h s ARG 114 Cb -0.32 -4.10 0.30 0.00 0.52 0.00 0.00 34.95 31.35 3i8h s ARG 114 CO 0.56 -0.94 1.66 1.63 0.02 0.00 0.00 175.30 178.23 3i8h n LYS 115 N 7.42 4.81 -0.99 3.54 5.02 -1.26 -5.00 118.16 131.69 3i8h n LYS 115 Ca 0.19 -4.52 -0.38 0.00 -2.02 0.00 0.00 58.31 51.59 3i8h n LYS 115 Cb 0.42 -2.52 0.04 0.00 -0.02 0.00 0.00 35.03 32.95 3i8h n LYS 115 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i8h n THR 116 N 0.91 0.00 -3.62 -0.18 -1.04 -1.26 -4.99 114.28 104.10 3i8h n THR 116 Ca 0.35 -0.17 -0.03 0.00 -2.04 0.00 0.00 64.05 62.16 3i8h n THR 116 Cb 0.30 -0.02 -0.02 0.00 -1.82 0.00 0.00 70.33 68.77 3i8h n THR 116 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i8h s VAL 117 N -2.01 0.00 0.79 12.58 -7.23 -1.26 -5.15 120.40 118.12 3i8h s VAL 117 Ca 0.38 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.33 3i8h s VAL 117 Cb 0.01 -1.00 -0.15 0.00 0.56 0.00 0.00 36.38 35.80 3i8h s VAL 117 CO 0.71 0.00 -1.19 0.00 -0.31 0.00 0.00 175.10 174.31 3i8h n ALA 118 N 0.03 -4.10 -2.60 1.32 0.00 -1.26 -5.03 120.51 108.88 3i8h n ALA 118 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3i8h n ALA 118 Cb 0.58 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.42 3i8h n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8h n GLY 119 N 2.87 4.42 0.00 0.00 0.00 -1.26 -5.14 105.19 106.08 3i8h n GLY 119 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3i8h n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i8h n LYS 120 N 0.00 0.00 0.00 1.61 0.00 -1.26 -5.16 118.16 113.35 3i8h n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i8h n LYS 120 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 35.03 34.79 3i8h n LYS 120 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3i8h n LYS 121 N -0.81 0.00 0.00 -1.58 4.81 -1.26 -5.16 118.16 114.16 3i8h n LYS 121 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i8h n LYS 121 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i8h n LYS 121 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i8h n LYS 122 N -0.08 0.00 -1.06 1.64 3.00 -1.26 -5.16 118.16 115.25 3i8h n LYS 122 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.13 3i8h n LYS 122 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 35.03 35.17 3i8h n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8h n ALA 123 N -0.06 -1.24 -2.32 3.14 0.00 -1.26 -5.11 120.51 113.66 3i8h n ALA 123 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.37 3i8h n ALA 123 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3i8h n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3i8h n PRO 124 N -2.96 3.63 -3.61 0.00 -0.02 -1.26 -5.11 135.00 125.67 3i8h n PRO 124 Ca 0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 3i8h n PRO 124 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.82 3i8h n PRO 124 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i8h s ARG 125 N 2.82 1.15 0.00 -0.52 3.00 -1.26 -5.25 118.95 118.90 3i8h s ARG 125 Ca 0.00 -0.53 0.00 0.00 -1.00 0.00 0.00 55.73 54.20 3i8h s ARG 125 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 34.95 35.41 3i8h s ARG 125 CO 0.00 -0.52 0.00 0.36 0.00 0.00 0.00 175.30 175.14